A0A2K5UPD3_MACFA Loading...

ADAM metallopeptidase with thrombospondin type 1 motif 6

AlphaFold DB , UniProt , Accession A0A2K5UPD3, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene ADAMTS6, Length 1,117 aa.

						>A0A2K5UPD3_MACFA|A0A2K5UPD3|ADAMTS6
MEILWKTLTWILSLIMASSEFHSDHRLSYSSQEEFLTYLEHYQLTIPIRVDQNGAFLSFTVKNDKHSRRRRSMDPIDPQQAVSKLFFKLSAYGKHFHLNLTLNTDFVSKHFTVEYWGKDGPQWKHDFLDNCHYTGYLQDQRSTTKVALSNCVGLHGVIATEDEEYFIEPLKNTTEDSKHFSYENGHPHVIYKKSALQQRHLYDHSHCGVSDFTRSGKPWWLNDTSTFSYSLPINNTHNHHRQKRSVSIERFVETLVVADKMMVGYHGRKDIEHYILSVMNIVAKLYRDSSLGNVVNIIVARLIVLTEDQPNLEINHHADKSLDSFCKWQKSILSHQSDGNTIPENGIAHHDNAVLITRYDICTYKNKPCGTLGLASVAGMCEPERSCSINEDIGLGSAFTIAHEIGHNFGMNHDGIGNSCGTKGHEAAKLMAAHITANTNPFSWSACSRDYITSFLDSGRGTCLDNEPPKRDFLYPAVAPGQVYDADEQCRFQYGATSRQCKYGEVCRELWCLSKSNRCVTNSIPAAEGTLCQTGNIEKGWCYQGDCVPFGTWPQSIDGGWGPWSLWGECSRTCGGGVSSSLRHCDSPAPSGGGKYCLGERKRYRSCNTDPCPLGSRDFREKQCADFDNMPFRGKYYNWKPYTGGGVKPCALNCLAEGYNFYTERAPAVIDGTQCNADSLDICINGECKHVGCDNILGSDAREDRCRVCGGDGSTCDAIEGFFNDSLPRGGYMEVVQIPRGSVHIEVREVAMSKNYIALKSEGDDYYINGAWTIDWPRKFDVAGTAFHYKRPTDEPESLEALGPTSENLIIMVLLQEQNLGIRYKFNVPITRTGSGDNEVGFTWNHQPWSECSATCAGGVQRQEVVCKRLDDNSIVQNNYCDPDSKPPENQRACNTEPCPPEWFIGDWLECSKTCDGGMRTRAVLCIRKIGPSEEETLDYSGCLTHRPVEKEPCNNQSCPPQWVALDWSECTPKCGPGFKHRIVLCKSSDLSKTFPAAQCPEESKPPVRIRCSLGRCPPPRWVTGDWGQCSAQCGLGQQMRTVQCLSYTGQASSDCPETVRPPSMQQCESKCDSTPISNTEECKDVNKVAYCPLVLKFKFCSRAYFRQMCCKTCQGH
					

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(Predicted Aligned Error values between residue pairs)

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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	52.5	Low	44.5	Very low	221 Å²	221	149.5 Å²	149.5	100%	1.089	71%	0.706	S	S	*	*				0	-18.6	0	-81.9	-58	-77	0	0	112.9
2	E	35.7	Very low	43.5	Very low	176 Å²	176	146.8 Å²	146.8	82%	0.822	70%	0.698	S	S	*	*			trans	-105.2	167.9	144.7	-66.2	-167.6	120.2	0	0	110	L4	E2-L4 PolarHBondContact O-N 3.34Å
3	I	52	Low	43.6	Very low	129 Å²	129	142 Å²	142	66%	0.662	69%	0.69	S	S	*	*	S	Bend	trans	59.9	-12.6	169.7	-58.5	-179.5	0	0	0	117.2	W5 K6	I3-W5 PolarHBondContact O-N 3.37Å; I3-K6 HydrophobicContact CG2-CB 4.35Å; I3-K6 PolarHBondContact O-N 3.11Å
4	L	46.5	Very low	43.4	Very low	137 Å²	137	140.2 Å²	140.2	72%	0.717	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	7.5	143.6	-140.5	150.4	0	0	0	111.9	E2 T7	E2-L4 PolarHBondContact O-N 3.34Å; L4-T7 VanDerWaalsContact C-OG1 3.31Å; L4-T7 PolarHBondContact O-OG1 3.4Å
5	W	39.4	Very low	42.6	Very low	222 Å²	222	140.5 Å²	140.5	84%	0.841	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-2.8	170.5	-127.2	40	0	0	0	113.2	I3	I3-W5 PolarHBondContact O-N 3.37Å
6	K	49.3	Very low	41.9	Very low	157 Å²	157	142.4 Å²	142.4	68%	0.683	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-6.1	170.5	-78.5	-163.6	175.7	-174.9	0	114.3	I3 L8	I3-K6 HydrophobicContact CG2-CB 4.35Å; I3-K6 PolarHBondContact O-N 3.11Å; K6-L8 PolarHBondContact O-N 3.29Å
7	T	49.5	Very low	41	Very low	64 Å²	64	139.2 Å²	139.2	39%	0.393	70%	0.7	S	S	.	*	H	α-helix	trans	-53.6	-23.9	156.3	31.5	0	0	0	0	112.5	L4 T9 I11	L4-T7 VanDerWaalsContact C-OG1 3.31Å; L4-T7 PolarHBondContact O-OG1 3.4Å; T7-T9 PolarHBondContact O-N 3.17Å; T7-I11 WeakPolarHBondContact O-CB 3.43Å
8	L	37.8	Very low	40.2	Very low	101 Å²	101	137.3 Å²	137.3	53%	0.529	70%	0.702	S	S	.	*	H	α-helix	trans	-81.1	0.9	-170.6	-108.6	70.7	0	0	0	117.1	K6 L12	K6-L8 PolarHBondContact O-N 3.29Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 WeakPolarHBondContact O-CD1 3.32Å
9	T	43.8	Very low	39.7	Very low	92 Å²	92	134.8 Å²	134.8	56%	0.564	70%	0.697	S	S	*	*	H	α-helix	trans	-122.2	-23.3	-179.2	50.3	0	0	0	0	116.4	T7	T7-T9 PolarHBondContact O-N 3.17Å
10	W	38.4	Very low	39	Very low	230 Å²	230	135.3 Å²	135.3	87%	0.871	70%	0.696	S	S	*	*	H	α-helix	trans	-100.9	-16.2	172.1	-93.7	93.2	0	0	0	114.2
11	I	44.8	Very low	38.2	Very low	116 Å²	116	139 Å²	139	60%	0.595	71%	0.708	S	S	*	*	S	Bend	trans	-81	-9.9	162.8	-63.4	175.7	0	0	0	110.6	T7 L14	T7-I11 WeakPolarHBondContact O-CB 3.43Å; I11-L14 WeakPolarHBondContact O-CB 3.09Å; I11-L14 WeakPolarHBondContact O-CD1 3.3Å
12	L	32.4	Very low	36.8	Very low	117 Å²	117	134.9 Å²	134.9	61%	0.613	69%	0.685	S	S	*	*	S	Bend	trans	-116.2	43.5	-173.4	-132.8	168.5	0	0	0	111.4	L8	L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 WeakPolarHBondContact O-CD1 3.32Å
13	S	44.3	Very low	36.7	Very low	84 Å²	84	130.5 Å²	130.5	59%	0.587	67%	0.674	S	S	*	*			trans	-168.6	33.5	173.4	-65.8	0	0	0	0	112
14	L	40.4	Very low	35.3	Very low	117 Å²	117	132 Å²	132	61%	0.613	68%	0.684	S	S	*	*				25.6	110.1	50.6	-149.1	170.1	0	0	0	112.8	I11	I11-L14 WeakPolarHBondContact O-CB 3.09Å; I11-L14 WeakPolarHBondContact O-CD1 3.3Å
15	I	32.5	Very low	34.2	Very low	145 Å²	145	132.7 Å²	132.7	74%	0.744	68%	0.683	S	S	*	*			trans	71.1	85	-156.3	-44.1	154.1	0	0	0	108
16	M	30.3	Very low	33.8	Very low	170 Å²	170	131.7 Å²	131.7	84%	0.837	68%	0.679	S	S	*	*			cis	-118.3	141.9	33.9	-49.4	-164.2	-66.4	0	0	110.7
17	A	27.7	Very low	32.8	Very low	89 Å²	89	130 Å²	130	74%	0.736	68%	0.677	S	S	*	*				60.5	123.6	50.8	0	0	0	0	0	111
18	S	25.8	Very low	31.8	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	68%	0.677	S	S	*	*			cis	-148.6	-162.8	9.9	46	0	0	0	0	110.8
19	S	31	Very low	31.7	Very low	89 Å²	89	130.1 Å²	130.1	62%	0.622	67%	0.673	S	S	*	*			trans	4	139.1	148	59.1	0	0	0	0	117.4
20	E	26.2	Very low	31.3	Very low	145 Å²	145	130.5 Å²	130.5	68%	0.678	68%	0.679	S	S	*	*			cis	-147.9	131	49.6	-75.7	160.5	164.2	0	0	113.8	H22	E20-H22 HydrophobicContact CB-CB 4.11Å; E20-H22 WeakPolarHBondContact CG-ND1 3.26Å; E20-H22 PolarHBondContact O-N 2.77Å; E20-H22 IonicContact OE1-CE1 3.69Å; E20-H22 IonicContact OE1-ND1 2.59Å; E20-H22 IonicContact OE2-ND1 3.68Å
21	F	22.6	Very low	31.8	Very low	213 Å²	213	121.2 Å²	121.2	93%	0.934	65%	0.649	S	S	*	*			trans	-89.6	70.8	151.7	-155.4	-81	0	0	0	106.6	S23	F21-S23 PolarHBondContact O-N 2.6Å
22	H	22.9	Very low	32.3	Very low	134 Å²	134	116.3 Å²	116.3	62%	0.62	62%	0.624	S	S	*	*			trans	-71.1	124.2	-176.5	-122.6	67.5	0	0	0	109.6	E20 D24	E20-H22 HydrophobicContact CB-CB 4.11Å; E20-H22 WeakPolarHBondContact CG-ND1 3.26Å; E20-H22 PolarHBondContact O-N 2.77Å; E20-H22 IonicContact OE1-CE1 3.69Å; E20-H22 IonicContact OE1-ND1 2.59Å; E20-H22 IonicContact OE2-ND1 3.68Å; H22-D24 PolarHBondContact O-N 2.71Å
23	S	32.5	Very low	33.4	Very low	84 Å²	84	115.3 Å²	115.3	59%	0.587	62%	0.616	S	S	*	*			trans	-76.9	86.7	178.9	50.1	0	0	0	0	109.9	F21 H25	F21-S23 PolarHBondContact O-N 2.6Å; S23-H25 PolarHBondContact O-CD2 2.81Å; S23-H25 PolarHBondContact O-N 3.34Å; S23-H25 VanDerWaalsContact O-N 3.17Å
24	D	22.4	Very low	34	Very low	161 Å²	161	112.8 Å²	112.8	86%	0.861	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-62.5	120.6	170	-95.7	-29.9	0	0	0	109.6	H22	H22-D24 PolarHBondContact O-N 2.71Å
25	H	24.9	Very low	34.7	Very low	151 Å²	151	109.7 Å²	109.7	70%	0.699	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-69.3	146.1	-152.8	-95	-113.3	0	0	0	114	S23	S23-H25 PolarHBondContact O-CD2 2.81Å; S23-H25 PolarHBondContact O-N 3.34Å; S23-H25 VanDerWaalsContact O-N 3.17Å
26	R	29.3	Very low	36.2	Very low	201 Å²	201	103.2 Å²	103.2	76%	0.758	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-57.4	138.2	155.7	-54.9	170.6	176.5	174.6	-2.7	108.3	S28	R26-S28 VanDerWaalsContact C-N 3.33Å; R26-S28 PolarHBondContact O-N 2.83Å
27	L	29.5	Very low	37.5	Very low	121 Å²	121	100.1 Å²	100.1	63%	0.634	53%	0.534	S	S	*	.			trans	-93.7	81.4	150.2	-72.3	174.2	0	0	0	107.7	Y38	L27-Y38 VanDerWaalsContact CD1-OH 3.29Å; L27-Y38 WeakPolarHBondContact CD1-OH 3.48Å; L27-Y38 HydrophobicContact CD2-CE2 4.45Å; L27-Y38 VanDerWaalsContact CD2-OH 3.25Å; L27-Y38 WeakPolarHBondContact CD2-OH 3.44Å
28	S	28.7	Very low	38.6	Very low	58 Å²	58	101.2 Å²	101.2	41%	0.406	52%	0.52	S	S	.	.	S	Bend	trans	-139.1	100.2	176.2	158.3	0	0	0	0	103.5	R26 S30	R26-S28 VanDerWaalsContact C-N 3.33Å; R26-S28 PolarHBondContact O-N 2.83Å; S28-S30 VanDerWaalsContact C-N 3.35Å; S28-S30 WeakPolarHBondContact O-CA 3.24Å; S28-S30 PolarHBondContact O-N 2.87Å
29	Y	34.8	Very low	40.2	Very low	111 Å²	111	96.7 Å²	96.7	44%	0.435	49%	0.488	S	S	.	.			trans	-50.7	96.4	-168.4	-56.5	-43.8	0	0	0	112	E34 F35 Y38	Y29-E34 HydrophobicContact CD1-CB 3.97Å; Y29-E34 HydrophobicContact CD1-CG 3.82Å; Y29-F35 HydrophobicContact CD1-CB 4.43Å; Y29-F35 HydrophobicContact CD2-CB 3.97Å; Y29-F35 HydrophobicContact CD2-CD2 4.1Å; Y29-F35 HydrophobicContact CE2-CD2 4.06Å; Y29-F35 HydrophobicContact CG-CB 3.93Å; Y29-Y38 AromaticContact CE1-CD2 3.48Å; Y29-Y38 HydrophobicContact CE1-CD2 3.48Å; Y29-Y38 VanDerWaalsContact CE1-CD2 3.48Å; Y29-Y38 AromaticContact CE1-CE2 3.63Å; Y29-Y38 HydrophobicContact CE1-CE2 3.63Å; Y29-Y38 HydrophobicContact CE1-CG 4.12Å; Y29-Y38 AromaticContact CZ-CD2 3.8Å; Y29-Y38 AromaticContact CZ-CG 3.97Å; Y29-Y38 WeakPolarHBondContact OH-CD1 3.38Å; Y29-Y38 WeakPolarHBondContact OH-CD2 3.36Å
30	S	36.7	Very low	41.6	Very low	100 Å²	100	98.9 Å²	98.9	70%	0.699	49%	0.488	S	S	*	.			trans	-85.7	-26.3	-169.7	60.3	0	0	0	0	111.4	S28 E34	S28-S30 VanDerWaalsContact C-N 3.35Å; S28-S30 WeakPolarHBondContact O-CA 3.24Å; S28-S30 PolarHBondContact O-N 2.87Å; S30-E34 WeakPolarHBondContact CB-OE2 3.49Å; S30-E34 PolarHBondContact N-OE2 2.84Å; S30-E34 PolarHBondContact OG-OE2 2.92Å
31	S	47	Very low	43.4	Very low	35 Å²	35	98.5 Å²	98.5	25%	0.245	49%	0.486	C	S	.	.	S	Bend	trans	-126.7	167.1	164.4	81.2	0	0	0	0	110.4	E33 E34	S31-E33 WeakPolarHBondContact CB-OE2 3.29Å; S31-E33 PolarHBondContact O-N 2.83Å; S31-E33 WeakPolarHBondContact OG-CB 3.45Å; S31-E33 PolarHBondContact OG-N 2.66Å; S31-E33 PolarHBondContact OG-OE2 2.95Å; S31-E34 PolarHBondContact O-N 2.93Å; S31-E34 PolarHBondContact OG-N 3.05Å
32	Q	55.6	Low	46.2	Very low	12 Å²	12	93.3 Å²	93.3	6%	0.056	46%	0.461	C	S	.	.	H	α-helix	trans	-63.7	-33.9	171.7	-170.8	176.7	22.4	0	0	111.2	E34 F35 L36 E168 P169 K171	Q32-E34 PolarHBondContact O-N 2.85Å; Q32-F35 WeakPolarHBondContact O-CB 3.4Å; Q32-F35 PolarHBondContact O-N 2.96Å; Q32-F35 VanDerWaalsContact O-N 3.17Å; Q32-L36 HydrophobicContact CG-CG 4.47Å; Q32-L36 WeakPolarHBondContact O-CG 3.47Å; Q32-L36 PolarHBondContact O-N 3.26Å; Q32-E168 PolarHBondContact NE2-OE1 3.14Å; Q32-P169 PolarHBondContact NE2-O 3.07Å; Q32-P169 PolarHBondContact OE1-O 3.14Å; Q32-K171 HydrophobicContact CB-CD 4.3Å
33	E	56.6	Low	49	Very low	96 Å²	96	90.7 Å²	90.7	45%	0.449	45%	0.449	S	S	.	.	H	α-helix	trans	-57.8	-39.7	178.7	-52.2	145.4	151.8	0	0	111	S31 L36 T37 T173	S31-E33 WeakPolarHBondContact CB-OE2 3.29Å; S31-E33 PolarHBondContact O-N 2.83Å; S31-E33 WeakPolarHBondContact OG-CB 3.45Å; S31-E33 PolarHBondContact OG-N 2.66Å; S31-E33 PolarHBondContact OG-OE2 2.95Å; E33-L36 PolarHBondContact O-N 3.31Å; E33-T37 WeakPolarHBondContact O-CG2 3.45Å; E33-T37 PolarHBondContact O-N 2.8Å; E33-T173 WeakPolarHBondContact OE1-CG2 3.3Å; E33-T173 PolarHBondContact OE1-OG1 2.89Å
34	E	56.8	Low	51.5	Low	31 Å²	31	91.2 Å²	91.2	15%	0.145	45%	0.445	C	S	.	.	H	α-helix	trans	-61.2	-48.1	177.4	-152.9	-170.6	132.3	0	0	110.9	Y29 S30 S31 Q32 L36 T37 Y38	Y29-E34 HydrophobicContact CD1-CB 3.97Å; Y29-E34 HydrophobicContact CD1-CG 3.82Å; S30-E34 WeakPolarHBondContact CB-OE2 3.49Å; S30-E34 PolarHBondContact N-OE2 2.84Å; S30-E34 PolarHBondContact OG-OE2 2.92Å; S31-E34 PolarHBondContact O-N 2.93Å; S31-E34 PolarHBondContact OG-N 3.05Å; Q32-E34 PolarHBondContact O-N 2.85Å; E34-L36 PolarHBondContact O-N 3.43Å; E34-T37 PolarHBondContact O-N 2.8Å; E34-T37 PolarHBondContact O-OG1 3.23Å; E34-Y38 WeakPolarHBondContact O-CD2 3.27Å
35	F	55.6	Low	54.4	Low	52 Å²	52	84 Å²	84	23%	0.228	41%	0.407	C	S	.	.	H	α-helix	trans	-59.4	-41.9	175.1	165.4	-112.8	0	0	0	112.7	Y29 Q32 T37 Y38 L39 Y191	Y29-F35 HydrophobicContact CD1-CB 4.43Å; Y29-F35 HydrophobicContact CD2-CB 3.97Å; Y29-F35 HydrophobicContact CD2-CD2 4.1Å; Y29-F35 HydrophobicContact CE2-CD2 4.06Å; Y29-F35 HydrophobicContact CG-CB 3.93Å; Q32-F35 WeakPolarHBondContact O-CB 3.4Å; Q32-F35 PolarHBondContact O-N 2.96Å; Q32-F35 VanDerWaalsContact O-N 3.17Å; F35-T37 PolarHBondContact O-N 2.89Å; F35-T37 VanDerWaalsContact O-N 3.17Å; F35-Y38 PolarHBondContact O-N 2.86Å; F35-Y38 VanDerWaalsContact O-N 3.07Å; F35-L39 HydrophobicContact CE1-CD1 3.97Å; F35-L39 HydrophobicContact CZ-CD1 4.05Å; F35-L39 HydrophobicContact CZ-CD2 4.24Å; F35-L39 HydrophobicContact CZ-CG 4.3Å; F35-Y191 HydrophobicContact CE1-CE1 4.03Å; F35-Y191 HydrophobicContact CZ-CE1 4.29Å; F35-Y191 HydrophobicContact CZ-CE2 4.41Å; F35-Y191 AromaticContact CZ-CZ 3.94Å
36	L	64	Low	57.3	Low	9 Å²	9	80.8 Å²	80.8	5%	0.047	39%	0.394	C	S	.	.	H	α-helix	trans	-65.3	-18.2	-179.4	-62.3	-175.1	0	0	0	113.9	Q32 E33 E34 Y38 L39 Y42 V189	Q32-L36 HydrophobicContact CG-CG 4.47Å; Q32-L36 WeakPolarHBondContact O-CG 3.47Å; Q32-L36 PolarHBondContact O-N 3.26Å; E33-L36 PolarHBondContact O-N 3.31Å; E34-L36 PolarHBondContact O-N 3.43Å; L36-Y38 VanDerWaalsContact C-N 3.26Å; L36-Y38 PolarHBondContact O-N 2.74Å; L36-L39 HydrophobicContact CD2-CD1 3.84Å; L36-Y42 HydrophobicContact CB-CD1 4.09Å; L36-Y42 HydrophobicContact CB-CE1 3.75Å; L36-Y42 HydrophobicContact CD1-CD2 4.27Å; L36-Y42 HydrophobicContact CD1-CE2 3.91Å; L36-Y42 HydrophobicContact CD2-CG 4.34Å; L36-Y42 WeakPolarHBondContact O-CD1 3.42Å; L36-Y42 WeakPolarHBondContact O-CE1 3.42Å; L36-V189 HydrophobicContact CD1-CG1 4.19Å; L36-V189 HydrophobicContact CD1-CG2 3.98Å; L36-V189 HydrophobicContact CD2-CG1 3.67Å; L36-V189 HydrophobicContact CD2-CG2 4.46Å
37	T	57.3	Low	60.1	Low	105 Å²	105	71.2 Å²	71.2	64%	0.644	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.9	174.3	65.7	0	0	0	0	113.9	E33 E34 F35	E33-T37 WeakPolarHBondContact O-CG2 3.45Å; E33-T37 PolarHBondContact O-N 2.8Å; E34-T37 PolarHBondContact O-N 2.8Å; E34-T37 PolarHBondContact O-OG1 3.23Å; F35-T37 PolarHBondContact O-N 2.89Å; F35-T37 VanDerWaalsContact O-N 3.17Å
38	Y	51.5	Low	62.8	Low	112 Å²	112	67.4 Å²	67.4	44%	0.439	34%	0.338	S	S	.	.	S	Bend	trans	-102.2	-8.9	-178.6	-74.2	-99.2	0	0	0	114.1	L27 Y29 E34 F35 L36	L27-Y38 VanDerWaalsContact CD1-OH 3.29Å; L27-Y38 WeakPolarHBondContact CD1-OH 3.48Å; L27-Y38 HydrophobicContact CD2-CE2 4.45Å; L27-Y38 VanDerWaalsContact CD2-OH 3.25Å; L27-Y38 WeakPolarHBondContact CD2-OH 3.44Å; Y29-Y38 AromaticContact CE1-CD2 3.48Å; Y29-Y38 HydrophobicContact CE1-CD2 3.48Å; Y29-Y38 VanDerWaalsContact CE1-CD2 3.48Å; Y29-Y38 AromaticContact CE1-CE2 3.63Å; Y29-Y38 HydrophobicContact CE1-CE2 3.63Å; Y29-Y38 HydrophobicContact CE1-CG 4.12Å; Y29-Y38 AromaticContact CZ-CD2 3.8Å; Y29-Y38 AromaticContact CZ-CG 3.97Å; Y29-Y38 WeakPolarHBondContact OH-CD1 3.38Å; Y29-Y38 WeakPolarHBondContact OH-CD2 3.36Å; E34-Y38 WeakPolarHBondContact O-CD2 3.27Å; F35-Y38 PolarHBondContact O-N 2.86Å; F35-Y38 VanDerWaalsContact O-N 3.07Å; L36-Y38 VanDerWaalsContact C-N 3.26Å; L36-Y38 PolarHBondContact O-N 2.74Å
39	L	58.9	Low	65.6	Low	10 Å²	10	68.3 Å²	68.3	5%	0.052	33%	0.332	C	S	.	.	S	Bend	trans	-82.3	124.4	171.3	-66	171.8	0	0	0	109.3	F35 L36 H41 Y191 L196	F35-L39 HydrophobicContact CE1-CD1 3.97Å; F35-L39 HydrophobicContact CZ-CD1 4.05Å; F35-L39 HydrophobicContact CZ-CD2 4.24Å; F35-L39 HydrophobicContact CZ-CG 4.3Å; L36-L39 HydrophobicContact CD2-CD1 3.84Å; L39-H41 PolarHBondContact O-N 2.85Å; L39-H41 VanDerWaalsContact O-N 3.16Å; L39-Y191 HydrophobicContact CD1-CD1 3.91Å; L39-Y191 HydrophobicContact CD1-CD2 4.08Å; L39-Y191 HydrophobicContact CD1-CE1 4.46Å; L39-Y191 HydrophobicContact CD1-CG 3.7Å; L39-Y191 HydrophobicContact CD2-CD2 3.98Å; L39-Y191 HydrophobicContact CD2-CE2 4.36Å; L39-Y191 HydrophobicContact CD2-CG 4.43Å; L39-L196 HydrophobicContact CD2-CD2 4.08Å
40	E	58.9	Low	68	Low	135 Å²	135	63.1 Å²	63.1	63%	0.631	31%	0.312	S	S	*	.	S	Bend	trans	-54.9	-36.7	176.9	-65.8	-171.1	156.3	0	0	112.6	A195	E40-A195 HydrophobicContact CB-CB 4.17Å; E40-A195 HydrophobicContact CG-CB 4.47Å
41	H	65.1	Low	70.1	Confident	138 Å²	138	60.4 Å²	60.4	64%	0.639	29%	0.29	S	S	*	.	S	Bend	trans	-152.3	113.7	179.2	-67.4	86.4	0	0	0	111.8	L39 Y92	L39-H41 PolarHBondContact O-N 2.85Å; L39-H41 VanDerWaalsContact O-N 3.16Å; H41-Y92 PolarHBondContact O-OH 2.93Å
42	Y	81.6	Confident	71.6	Confident	104 Å²	104	64.8 Å²	64.8	41%	0.408	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	167.9	166.6	71.6	-90.1	0	0	0	111.4	L36 L44 Y92 V189	L36-Y42 HydrophobicContact CB-CD1 4.09Å; L36-Y42 HydrophobicContact CB-CE1 3.75Å; L36-Y42 HydrophobicContact CD1-CD2 4.27Å; L36-Y42 HydrophobicContact CD1-CE2 3.91Å; L36-Y42 HydrophobicContact CD2-CG 4.34Å; L36-Y42 WeakPolarHBondContact O-CD1 3.42Å; L36-Y42 WeakPolarHBondContact O-CE1 3.42Å; Y42-L44 HydrophobicContact CE2-CD2 4.49Å; Y42-Y92 WeakPolarHBondContact CA-OH 3.48Å; Y42-V189 HydrophobicContact CD2-CG1 3.94Å; Y42-V189 HydrophobicContact CG-CG1 4.42Å
43	Q	82.1	Confident	72.6	Confident	78 Å²	78	70.1 Å²	70.1	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	161.2	169.3	-66.9	-163.9	-7.8	0	0	111.9	Y92 I190	Q43-Y92 HydrophobicContact CB-CE2 4.39Å; Q43-Y92 HydrophobicContact CG-CD1 4.38Å; Q43-Y92 HydrophobicContact CG-CE1 4.08Å; Q43-Y92 HydrophobicContact CG-CE2 4.23Å; Q43-I190 HydrophobicContact CB-CG2 4.3Å; Q43-I190 PolarHBondContact N-O 3.14Å; Q43-I190 PolarHBondContact O-N 3.3Å
44	L	83.9	Confident	73.5	Confident	95 Å²	95	66.1 Å²	66.1	50%	0.497	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.9	169.9	-61.6	-179.7	0	0	0	110	Y42 L170 H188 V189	Y42-L44 HydrophobicContact CE2-CD2 4.49Å; L44-L170 HydrophobicContact CD1-CD2 4.4Å; L44-L170 HydrophobicContact CD2-CD1 4.34Å; L44-L170 HydrophobicContact CD2-CD2 4.24Å; L44-H188 CarbonylContact C-O 3.5Å; L44-H188 WeakPolarHBondContact CA-O 3.27Å; L44-V189 HydrophobicContact CD2-CB 4.4Å; L44-V189 HydrophobicContact CD2-CG1 4.47Å; L44-V189 HydrophobicContact CD2-CG2 3.95Å
45	T	84.5	Confident	74.6	Confident	11 Å²	11	67.2 Å²	67.2	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.3	178	-158.3	0	0	0	0	110.7	P47 L89 S90 I167 H188 I190	T45-P47 HydrophobicContact CG2-CG 4.41Å; T45-L89 HydrophobicContact CG2-CB 4.28Å; T45-L89 HydrophobicContact CG2-CD1 4.35Å; T45-S90 WeakPolarHBondContact CB-O 3.29Å; T45-S90 PolarHBondContact OG1-N 2.86Å; T45-S90 PolarHBondContact OG1-O 3.25Å; T45-I167 HydrophobicContact CG2-CD1 4.06Å; T45-H188 HydrophobicContact CG2-CB 4.22Å; T45-H188 PolarHBondContact N-O 2.98Å; T45-H188 PolarHBondContact O-N 2.92Å; T45-I190 HydrophobicContact CG2-CB 4.48Å; T45-I190 HydrophobicContact CG2-CG2 3.89Å
46	I	85.1	Confident	76	Confident	82 Å²	82	69.8 Å²	69.8	42%	0.421	35%	0.345	S	S	.	.			trans	-119.6	103.1	174.5	-58.2	177.1	0	0	0	107.2	F59	I46-F59 HydrophobicContact CG2-CD1 4.39Å
47	P	87.3	Confident	76.9	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.368	C	S	.	.			trans	-71.8	135.6	178.6	-14.4	29.3	0	0	0	111.5	T45 V61 K88 L89 L154 I167 H188	T45-P47 HydrophobicContact CG2-CG 4.41Å; P47-V61 HydrophobicContact CB-CG1 3.99Å; P47-K88 WeakPolarHBondContact CA-O 3.27Å; P47-L89 HydrophobicContact CB-CB 4.13Å; P47-L89 HydrophobicContact CB-CD2 4.23Å; P47-L89 HydrophobicContact CG-CB 4.33Å; P47-L89 HydrophobicContact CG-CD2 4.21Å; P47-L154 HydrophobicContact CB-CD1 3.6Å; P47-L154 HydrophobicContact CG-CD1 3.93Å; P47-I167 HydrophobicContact CG-CD1 4.18Å; P47-H188 WeakPolarHBondContact CD-CE1 3.41Å; P47-H188 VanDerWaalsContact CD-ND1 3.27Å; P47-H188 WeakPolarHBondContact CD-ND1 3.19Å; P47-H188 HydrophobicContact CG-CB 4.3Å
48	I	87.5	Confident	78	Confident	42 Å²	42	70.7 Å²	70.7	22%	0.215	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.9	175.9	56.5	168.8	0	0	0	110.6	V50 F56 F59 F87 K88	I48-V50 HydrophobicContact CD1-CG1 4Å; I48-V50 HydrophobicContact CG1-CG1 4.05Å; I48-F56 HydrophobicContact CB-CD2 4.05Å; I48-F56 HydrophobicContact CB-CE2 4.13Å; I48-F56 HydrophobicContact CD1-CD2 4.13Å; I48-F56 HydrophobicContact CG2-CD2 4.23Å; I48-F56 HydrophobicContact CG2-CE2 4.01Å; I48-F59 HydrophobicContact CG2-CD1 3.55Å; I48-F59 HydrophobicContact CG2-CE1 3.49Å; I48-F59 VanDerWaalsContact CG2-CE1 3.49Å; I48-F87 CarbonylContact O-C 3.52Å; I48-F87 VanDerWaalsContact O-CA 3.22Å; I48-F87 WeakPolarHBondContact O-CA 3.19Å; I48-K88 HydrophobicContact CD1-CB 4.17Å; I48-K88 HydrophobicContact CG1-CB 3.85Å; I48-K88 WeakPolarHBondContact CG1-O 3.4Å; I48-K88 PolarHBondContact N-O 2.65Å; I48-K88 PolarHBondContact O-N 2.79Å
49	R	85.8	Confident	79.1	Confident	76 Å²	76	68.4 Å²	68.4	29%	0.287	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	134	169.8	-171.5	176.8	174	163.8	-1.3	109	L57 S58 L85 F87	R49-L57 HydrophobicContact CG-CB 4.48Å; R49-L57 PolarHBondContact O-N 2.91Å; R49-S58 WeakPolarHBondContact CB-O 3.36Å; R49-S58 PolarHBondContact N-O 3.09Å; R49-S58 PolarHBondContact O-N 2.84Å; R49-L85 VanDerWaalsContact CZ-CD2 3.42Å; R49-F87 HydrophobicContact CB-CD1 4.03Å; R49-F87 HydrophobicContact CB-CE1 3.8Å; R49-F87 HydrophobicContact CG-CD1 4.46Å; R49-F87 HydrophobicContact CG-CE1 4.09Å
50	V	85.4	Confident	79.8	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	170.4	-177.7	-59.6	0	0	0	0	111.6	I48 A55 L57 F86 K88	I48-V50 HydrophobicContact CD1-CG1 4Å; I48-V50 HydrophobicContact CG1-CG1 4.05Å; V50-A55 CarbonylContact C-O 3.59Å; V50-A55 WeakPolarHBondContact CA-O 3.25Å; V50-A55 WeakPolarHBondContact CB-O 3.35Å; V50-L57 VanDerWaalsContact C-CD1 3.48Å; V50-L57 WeakPolarHBondContact O-CD1 3.31Å; V50-F86 HydrophobicContact CG2-CB 3.62Å; V50-F86 PolarHBondContact N-O 2.88Å; V50-K88 HydrophobicContact CG1-CB 4.26Å; V50-K88 HydrophobicContact CG1-CD 4.15Å; V50-K88 HydrophobicContact CG1-CG 4.12Å; V50-K88 HydrophobicContact CG2-CG 4.13Å
51	D	81.8	Confident	80.4	Confident	43 Å²	43	63.7 Å²	63.7	23%	0.23	32%	0.321	C	S	.	.			trans	-84.6	180	168.4	86.8	-23.5	0	0	0	111.8	N53 G54 A55 L57	D51-N53 PolarHBondContact O-N 3.47Å; D51-N53 WeakPolarHBondContact OD1-CA 3.15Å; D51-N53 WeakPolarHBondContact OD1-CB 3.25Å; D51-N53 PolarHBondContact OD1-N 2.86Å; D51-N53 PolarHBondContact OD2-ND2 2.88Å; D51-G54 WeakPolarHBondContact O-CA 3.49Å; D51-G54 PolarHBondContact O-N 3.49Å; D51-G54 PolarHBondContact OD1-N 3.28Å; D51-A55 PolarHBondContact N-O 2.61Å; D51-A55 WeakPolarHBondContact OD1-CB 3.39Å; D51-A55 PolarHBondContact OD1-N 2.98Å; D51-L57 HydrophobicContact CB-CD1 4.22Å; D51-L57 HydrophobicContact CB-CD2 4.34Å; D51-L57 HydrophobicContact CB-CG 4.34Å
52	Q	78.1	Confident	80.3	Confident	127 Å²	127	62 Å²	62	59%	0.593	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.1	178.7	67.2	-176.5	-6	0	0	114.7	F86	Q52-F86 HydrophobicContact CB-CD2 4.42Å; Q52-F86 HydrophobicContact CB-CE1 3.97Å; Q52-F86 HydrophobicContact CB-CE2 3.77Å; Q52-F86 HydrophobicContact CB-CZ 3.51Å
53	N	76.5	Confident	79.4	Confident	124 Å²	124	59.4 Å²	59.4	66%	0.663	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.6	175.5	-52.6	-61	0	0	0	111.5	D51	D51-N53 PolarHBondContact O-N 3.47Å; D51-N53 WeakPolarHBondContact OD1-CA 3.15Å; D51-N53 WeakPolarHBondContact OD1-CB 3.25Å; D51-N53 PolarHBondContact OD1-N 2.86Å; D51-N53 PolarHBondContact OD2-ND2 2.88Å
54	G	74.9	Confident	77.9	Confident	11 Å²	11	59.1 Å²	59.1	11%	0.113	31%	0.306	C	S	.	.			trans	80.5	20.2	-178.4	0	0	0	0	0	114.9	D51 K88	D51-G54 WeakPolarHBondContact O-CA 3.49Å; D51-G54 PolarHBondContact O-N 3.49Å; D51-G54 PolarHBondContact OD1-N 3.28Å; G54-K88 WeakPolarHBondContact O-CE 3.42Å; G54-K88 PolarHBondContact O-NZ 2.99Å
55	A	80.4	Confident	76.4	Confident	54 Å²	54	60.4 Å²	60.4	45%	0.446	31%	0.308	S	S	.	.			trans	-77.3	144.9	169.5	0	0	0	0	0	110.9	V50 D51	V50-A55 CarbonylContact C-O 3.59Å; V50-A55 WeakPolarHBondContact CA-O 3.25Å; V50-A55 WeakPolarHBondContact CB-O 3.35Å; D51-A55 PolarHBondContact N-O 2.61Å; D51-A55 WeakPolarHBondContact OD1-CB 3.39Å; D51-A55 PolarHBondContact OD1-N 2.98Å
56	F	85.3	Confident	74.3	Confident	107 Å²	107	69 Å²	69	47%	0.469	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.7	-174.8	173.8	-91.1	0	0	0	113.1	I48 F59	I48-F56 HydrophobicContact CB-CD2 4.05Å; I48-F56 HydrophobicContact CB-CE2 4.13Å; I48-F56 HydrophobicContact CD1-CD2 4.13Å; I48-F56 HydrophobicContact CG2-CD2 4.23Å; I48-F56 HydrophobicContact CG2-CE2 4.01Å; F56-F59 HydrophobicContact CE1-CE2 4.43Å; F56-F59 HydrophobicContact CE2-CD1 4.11Å; F56-F59 AromaticContact CE2-CD2 3.83Å; F56-F59 HydrophobicContact CE2-CD2 3.83Å; F56-F59 AromaticContact CE2-CE1 3.98Å; F56-F59 HydrophobicContact CE2-CE1 3.98Å; F56-F59 AromaticContact CE2-CE2 3.69Å; F56-F59 HydrophobicContact CE2-CE2 3.69Å; F56-F59 HydrophobicContact CE2-CG 4.02Å; F56-F59 AromaticContact CE2-CZ 3.76Å; F56-F59 HydrophobicContact CE2-CZ 3.76Å; F56-F59 AromaticContact CZ-CD2 3.46Å; F56-F59 HydrophobicContact CZ-CD2 3.46Å; F56-F59 VanDerWaalsContact CZ-CD2 3.46Å; F56-F59 AromaticContact CZ-CE2 3.41Å; F56-F59 HydrophobicContact CZ-CE2 3.41Å; F56-F59 VanDerWaalsContact CZ-CE2 3.41Å; F56-F59 HydrophobicContact CZ-CG 4.06Å; F56-F59 AromaticContact CZ-CZ 3.98Å; F56-F59 HydrophobicContact CZ-CZ 3.98Å
57	L	81.9	Confident	71.8	Confident	100 Å²	100	69.7 Å²	69.7	52%	0.524	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-49.2	174.3	-64	-178	0	0	0	113	R49 V50 D51	R49-L57 HydrophobicContact CG-CB 4.48Å; R49-L57 PolarHBondContact O-N 2.91Å; V50-L57 VanDerWaalsContact C-CD1 3.48Å; V50-L57 WeakPolarHBondContact O-CD1 3.31Å; D51-L57 HydrophobicContact CB-CD1 4.22Å; D51-L57 HydrophobicContact CB-CD2 4.34Å; D51-L57 HydrophobicContact CB-CG 4.34Å
58	S	80.7	Confident	69.7	Low	32 Å²	32	81.9 Å²	81.9	22%	0.224	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	162.4	179.4	67.9	0	0	0	0	113.1	R49	R49-S58 WeakPolarHBondContact CB-O 3.36Å; R49-S58 PolarHBondContact N-O 3.09Å; R49-S58 PolarHBondContact O-N 2.84Å
59	F	75.7	Confident	67.2	Low	64 Å²	64	90.9 Å²	90.9	28%	0.281	44%	0.436	S	S	.	.	S	Bend	trans	-87.5	-5.2	166.7	-67.3	-78.1	0	0	0	113.5	I46 I48 F56 V61 E183	I46-F59 HydrophobicContact CG2-CD1 4.39Å; I48-F59 HydrophobicContact CG2-CD1 3.55Å; I48-F59 HydrophobicContact CG2-CE1 3.49Å; I48-F59 VanDerWaalsContact CG2-CE1 3.49Å; F56-F59 HydrophobicContact CE1-CE2 4.43Å; F56-F59 HydrophobicContact CE2-CD1 4.11Å; F56-F59 AromaticContact CE2-CD2 3.83Å; F56-F59 HydrophobicContact CE2-CD2 3.83Å; F56-F59 AromaticContact CE2-CE1 3.98Å; F56-F59 HydrophobicContact CE2-CE1 3.98Å; F56-F59 AromaticContact CE2-CE2 3.69Å; F56-F59 HydrophobicContact CE2-CE2 3.69Å; F56-F59 HydrophobicContact CE2-CG 4.02Å; F56-F59 AromaticContact CE2-CZ 3.76Å; F56-F59 HydrophobicContact CE2-CZ 3.76Å; F56-F59 AromaticContact CZ-CD2 3.46Å; F56-F59 HydrophobicContact CZ-CD2 3.46Å; F56-F59 VanDerWaalsContact CZ-CD2 3.46Å; F56-F59 AromaticContact CZ-CE2 3.41Å; F56-F59 HydrophobicContact CZ-CE2 3.41Å; F56-F59 VanDerWaalsContact CZ-CE2 3.41Å; F56-F59 HydrophobicContact CZ-CG 4.06Å; F56-F59 AromaticContact CZ-CZ 3.98Å; F56-F59 HydrophobicContact CZ-CZ 3.98Å; F59-V61 PolarHBondContact O-N 2.81Å; F59-E183 WeakPolarHBondContact CD2-O 3.23Å; F59-E183 WeakPolarHBondContact CE2-O 3.43Å
60	T	73.3	Confident	64.9	Low	38 Å²	38	99 Å²	99	23%	0.233	47%	0.467	C	S	.	.			trans	-79.6	103.7	179.5	-46.6	0	0	0	0	110.6	Y182	T60-Y182 HydrophobicContact CG2-CD1 4.19Å; T60-Y182 HydrophobicContact CG2-CE1 4.21Å
61	V	71.3	Confident	62.6	Low	8 Å²	8	111 Å²	111	5%	0.048	51%	0.512	C	S	.	.			trans	-80.9	-26.3	174.6	-68	0	0	0	0	113.8	P47 F59 F87 N150 L154 H188	P47-V61 HydrophobicContact CB-CG1 3.99Å; F59-V61 PolarHBondContact O-N 2.81Å; V61-F87 HydrophobicContact CB-CE1 4.25Å; V61-F87 HydrophobicContact CG1-CD1 4.3Å; V61-F87 HydrophobicContact CG1-CE1 3.94Å; V61-N150 WeakPolarHBondContact O-CB 3.48Å; V61-N150 PolarHBondContact O-ND2 2.95Å; V61-L154 HydrophobicContact CB-CG 4.13Å; V61-L154 HydrophobicContact CG1-CD1 4.32Å; V61-L154 HydrophobicContact CG1-CG 4.13Å; V61-H188 WeakPolarHBondContact CG2-NE2 3.49Å
62	K	64.2	Low	60.3	Low	102 Å²	102	114.6 Å²	114.6	44%	0.443	54%	0.54	S	S	.	.	S	Bend	trans	-78.1	150.6	-175.2	-165.7	-171.8	170.5	-151.7	0	112.3	D64 C151	K62-D64 IonicContact NZ-OD1 2.64Å; K62-D64 PolarHBondContact O-N 3.49Å; K62-C151 WeakPolarHBondContact CE-O 3.32Å
63	N	62.5	Low	58.3	Low	51 Å²	51	117 Å²	117	27%	0.273	55%	0.553	S	S	.	*			trans	-82.9	80.5	174.4	-164.1	9.5	0	0	0	112.7	K65 N130	N63-K65 PolarHBondContact O-N 2.82Å; N63-K65 VanDerWaalsContact O-N 3.15Å; N63-N130 PolarHBondContact ND2-O 3.39Å
64	D	50.8	Low	56.3	Low	71 Å²	71	117.9 Å²	117.9	38%	0.38	56%	0.558	S	S	.	*			trans	-79.1	95.1	178.3	-70.7	-37.1	0	0	0	112.6	K62 H66	K62-D64 IonicContact NZ-OD1 2.64Å; K62-D64 PolarHBondContact O-N 3.49Å; D64-H66 PolarHBondContact O-N 2.81Å
65	K	50.9	Low	54.5	Low	123 Å²	123	123.5 Å²	123.5	54%	0.535	59%	0.593	S	S	.	*			trans	-59	131.8	160.8	-72.6	168.7	174.7	163.4	0	109.1	N63 L128 D129	N63-K65 PolarHBondContact O-N 2.82Å; N63-K65 VanDerWaalsContact O-N 3.15Å; K65-L128 PolarHBondContact NZ-O 3.18Å; K65-D129 WeakPolarHBondContact CE-OD1 3.16Å; K65-D129 IonicContact NZ-OD1 2.66Å; K65-D129 PolarHBondContact NZ-OD1 2.94Å
66	H	41.1	Very low	52.4	Low	190 Å²	190	127.2 Å²	127.2	88%	0.88	60%	0.604	S	S	*	*			trans	76.6	77.8	179.6	-50.9	-73.7	0	0	0	118.4	D64	D64-H66 PolarHBondContact O-N 2.81Å
67	S	31.5	Very low	50	Low	97 Å²	97	125.7 Å²	125.7	68%	0.678	60%	0.601	S	S	*	*			trans	-120.5	116.5	147.3	-167.3	0	0	0	0	110.8	R69	S67-R69 PolarHBondContact O-N 2.03Å; S67-R69 VanDerWaalsContact O-N 3.09Å
68	R	43.2	Very low	48	Very low	256 Å²	256	125.8 Å²	125.8	97%	0.966	61%	0.607	S	S	*	*			trans	-74.1	93.1	174	-78.6	-179.8	170.8	168.9	-2.8	109.8
69	R	34.9	Very low	46	Very low	232 Å²	232	132 Å²	132	88%	0.875	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-92.4	150.4	170.9	-82.8	-170.7	167.1	-165.7	-4	113.1	S67	S67-R69 PolarHBondContact O-N 2.03Å; S67-R69 VanDerWaalsContact O-N 3.09Å
70	R	37.7	Very low	44.3	Very low	245 Å²	245	135.4 Å²	135.4	93%	0.925	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-68.5	156.9	-177.7	-80.4	174.6	162.9	163.6	-6.9	111.8	S72	R70-S72 PolarHBondContact O-N 3.19Å
71	R	37.8	Very low	43	Very low	256 Å²	256	136 Å²	136	97%	0.966	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-53.3	130.4	170.1	-66.7	176.2	176.2	164.3	-2.7	110.9
72	S	34.3	Very low	42.2	Very low	118 Å²	118	138.6 Å²	138.6	83%	0.825	67%	0.674	S	S	*	*			trans	-133.7	155.8	155.7	-167.3	0	0	0	0	107.6	R70	R70-S72 PolarHBondContact O-N 3.19Å
73	M	35.6	Very low	42	Very low	177 Å²	177	135.9 Å²	135.9	87%	0.872	67%	0.667	S	S	*	*			trans	-90.8	107	178.4	-75.6	163.7	50.4	0	0	110.2
74	D	34.3	Very low	42.6	Very low	144 Å²	144	138.9 Å²	138.9	77%	0.77	68%	0.678	S	S	*	*			trans	-161.3	138.7	149.5	-101.4	-37.9	0	0	0	110.1	I76	D74-I76 PolarHBondContact O-N 2.91Å
75	P	36.7	Very low	44.2	Very low	129 Å²	129	135.8 Å²	135.8	84%	0.838	66%	0.661	S	S	*	*			trans	-90.4	80.9	-175.5	35.5	-34.2	0	0	0	112.1
76	I	36	Very low	46	Very low	132 Å²	132	131.2 Å²	131.2	68%	0.677	64%	0.642	S	S	*	*			trans	-110.6	127.7	166.8	-59.9	178.9	0	0	0	108.9	D74 P78	D74-I76 PolarHBondContact O-N 2.91Å; I76-P78 WeakPolarHBondContact O-CD 3.5Å
77	D	36.8	Very low	48.4	Very low	75 Å²	75	122.2 Å²	122.2	40%	0.401	60%	0.6	S	S	.	*			trans	-62.9	119.4	179	177.5	4.4	0	0	0	111.3	Q79 Q80	D77-Q79 PolarHBondContact O-N 2.99Å; D77-Q79 VanDerWaalsContact O-N 3.12Å; D77-Q79 PolarHBondContact OD1-N 2.85Å; D77-Q80 HydrophobicContact CB-CG 4.38Å; D77-Q80 PolarHBondContact O-N 2.76Å
78	P	38.4	Very low	51.2	Low	101 Å²	101	120.9 Å²	120.9	66%	0.656	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-24.8	177	-25.8	35.7	0	0	0	114.6	I76	I76-P78 WeakPolarHBondContact O-CD 3.5Å
79	Q	39.1	Very low	53.5	Low	162 Å²	162	108.9 Å²	108.9	76%	0.757	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-33.2	-179	-62.2	-171.4	-4.7	0	0	112.5	D77	D77-Q79 PolarHBondContact O-N 2.99Å; D77-Q79 VanDerWaalsContact O-N 3.12Å; D77-Q79 PolarHBondContact OD1-N 2.85Å
80	Q	39.2	Very low	55.9	Low	137 Å²	137	100.6 Å²	100.6	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-72.4	-32.5	175.3	-66.9	-168.4	2.6	0	0	112.8	D77 V82 S83	D77-Q80 HydrophobicContact CB-CG 4.38Å; D77-Q80 PolarHBondContact O-N 2.76Å; Q80-V82 PolarHBondContact O-N 2.84Å; Q80-S83 PolarHBondContact O-N 2.82Å; Q80-S83 PolarHBondContact O-OG 2.76Å; Q80-S83 VanDerWaalsContact O-OG 3.1Å
81	A	47.6	Very low	58.2	Low	50 Å²	50	89.1 Å²	89.1	41%	0.413	47%	0.472	S	S	.	.	H	α-helix	trans	-70.5	-9.1	-176.4	0	0	0	0	0	114.9
82	V	53.9	Low	60.2	Low	62 Å²	62	79.4 Å²	79.4	38%	0.376	44%	0.436	S	S	.	.	H	α-helix	trans	-105.7	-25.4	175.9	-171.3	0	0	0	0	111.5	Q80 K84 L102	Q80-V82 PolarHBondContact O-N 2.84Å; V82-K84 VanDerWaalsContact C-N 3.32Å; V82-K84 PolarHBondContact O-N 2.87Å; V82-L102 HydrophobicContact CG1-CD2 4.38Å
83	S	60.8	Low	62.3	Low	45 Å²	45	77.7 Å²	77.7	32%	0.315	44%	0.437	S	S	.	.	H	α-helix	trans	-74.8	-18.1	-176.9	69.1	0	0	0	0	114.1	Q80 T101 L102	Q80-S83 PolarHBondContact O-N 2.82Å; Q80-S83 PolarHBondContact O-OG 2.76Å; Q80-S83 VanDerWaalsContact O-OG 3.1Å; S83-T101 WeakPolarHBondContact O-CA 3.47Å; S83-L102 PolarHBondContact O-N 2.81Å
84	K	74.5	Confident	64.4	Low	115 Å²	115	72.4 Å²	72.4	50%	0.5	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138.4	175	-70.5	-177.5	179.4	169.8	0	112.2	V82 L100 T101	V82-K84 VanDerWaalsContact C-N 3.32Å; V82-K84 PolarHBondContact O-N 2.87Å; K84-L100 CarbonylContact C-O 3.48Å; K84-L100 VanDerWaalsContact CA-O 3.28Å; K84-L100 WeakPolarHBondContact CA-O 3.24Å; K84-T101 HydrophobicContact CG-CG2 4.32Å
85	L	85	Confident	66.8	Low	5 Å²	5	73 Å²	73	3%	0.026	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.3	176.1	-64.1	-175.8	0	0	0	110.2	R49 F87 L100 Y133	R49-L85 VanDerWaalsContact CZ-CD2 3.42Å; L85-F87 HydrophobicContact CB-CD2 4.42Å; L85-F87 HydrophobicContact CB-CE2 3.9Å; L85-F87 HydrophobicContact CD1-CE2 3.82Å; L85-F87 HydrophobicContact CD1-CZ 4.06Å; L85-F87 HydrophobicContact CG-CE2 4.5Å; L85-L100 HydrophobicContact CB-CB 4.35Å; L85-L100 PolarHBondContact N-O 2.9Å; L85-L100 WeakPolarHBondContact O-CA 3.04Å; L85-L100 WeakPolarHBondContact O-CB 3.01Å; L85-L100 PolarHBondContact O-N 2.84Å; L85-Y133 HydrophobicContact CB-CE1 4.4Å; L85-Y133 HydrophobicContact CD1-CD1 4.07Å; L85-Y133 HydrophobicContact CD1-CD2 4.38Å; L85-Y133 HydrophobicContact CD1-CE1 3.46Å; L85-Y133 VanDerWaalsContact CD1-CE1 3.46Å; L85-Y133 HydrophobicContact CD1-CE2 3.82Å; L85-Y133 HydrophobicContact CG-CD1 4.19Å; L85-Y133 HydrophobicContact CG-CE1 3.6Å
86	F	88.5	Confident	69.3	Low	27 Å²	27	67 Å²	67	12%	0.118	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.5	170.8	-54.8	-101.7	0	0	0	109.2	V50 Q52 L98 N99	V50-F86 HydrophobicContact CG2-CB 3.62Å; V50-F86 PolarHBondContact N-O 2.88Å; Q52-F86 HydrophobicContact CB-CD2 4.42Å; Q52-F86 HydrophobicContact CB-CE1 3.97Å; Q52-F86 HydrophobicContact CB-CE2 3.77Å; Q52-F86 HydrophobicContact CB-CZ 3.51Å; F86-L98 VanDerWaalsContact CA-O 3.27Å; F86-L98 WeakPolarHBondContact CA-O 3.32Å; F86-N99 HydrophobicContact CD1-CB 4.01Å; F86-N99 HydrophobicContact CE1-CB 3.99Å; F86-N99 VanDerWaalsContact CE1-CG 3.44Å; F86-N99 WeakPolarHBondContact CE1-ND2 3.29Å
87	F	91	Very high	71.9	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.6	177.7	-68.3	-79.2	0	0	0	110.9	I48 R49 V61 L85 L98 L100 L154	I48-F87 CarbonylContact O-C 3.52Å; I48-F87 VanDerWaalsContact O-CA 3.22Å; I48-F87 WeakPolarHBondContact O-CA 3.19Å; R49-F87 HydrophobicContact CB-CD1 4.03Å; R49-F87 HydrophobicContact CB-CE1 3.8Å; R49-F87 HydrophobicContact CG-CD1 4.46Å; R49-F87 HydrophobicContact CG-CE1 4.09Å; V61-F87 HydrophobicContact CB-CE1 4.25Å; V61-F87 HydrophobicContact CG1-CD1 4.3Å; V61-F87 HydrophobicContact CG1-CE1 3.94Å; L85-F87 HydrophobicContact CB-CD2 4.42Å; L85-F87 HydrophobicContact CB-CE2 3.9Å; L85-F87 HydrophobicContact CD1-CE2 3.82Å; L85-F87 HydrophobicContact CD1-CZ 4.06Å; L85-F87 HydrophobicContact CG-CE2 4.5Å; F87-L98 HydrophobicContact CB-CB 4.27Å; F87-L98 HydrophobicContact CB-CD1 3.96Å; F87-L98 PolarHBondContact N-O 2.84Å; F87-L98 PolarHBondContact O-N 2.82Å; F87-L100 HydrophobicContact CD2-CD1 3.71Å; F87-L100 HydrophobicContact CE2-CD1 3.99Å; F87-L154 HydrophobicContact CD1-CD1 4.32Å; F87-L154 HydrophobicContact CD2-CD1 4.45Å; F87-L154 HydrophobicContact CD2-CD2 4.34Å; F87-L154 HydrophobicContact CE2-CD2 4.01Å; F87-L154 HydrophobicContact CG-CD1 4.2Å; F87-L154 HydrophobicContact CZ-CD2 4.15Å
88	K	89.7	Confident	74.4	Confident	70 Å²	70	58.1 Å²	58.1	30%	0.304	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.6	166	-74.2	-179.8	-179.4	174.8	0	110.6	P47 I48 V50 G54 F96 H97	P47-K88 WeakPolarHBondContact CA-O 3.27Å; I48-K88 HydrophobicContact CD1-CB 4.17Å; I48-K88 HydrophobicContact CG1-CB 3.85Å; I48-K88 WeakPolarHBondContact CG1-O 3.4Å; I48-K88 PolarHBondContact N-O 2.65Å; I48-K88 PolarHBondContact O-N 2.79Å; V50-K88 HydrophobicContact CG1-CB 4.26Å; V50-K88 HydrophobicContact CG1-CD 4.15Å; V50-K88 HydrophobicContact CG1-CG 4.12Å; V50-K88 HydrophobicContact CG2-CG 4.13Å; G54-K88 WeakPolarHBondContact O-CE 3.42Å; G54-K88 PolarHBondContact O-NZ 2.99Å; K88-F96 VanDerWaalsContact CA-O 3.32Å; K88-F96 WeakPolarHBondContact CA-O 3.47Å; K88-H97 VanDerWaalsContact CE-CD2 3.41Å; K88-H97 WeakPolarHBondContact CE-CD2 3.47Å; K88-H97 WeakPolarHBondContact CE-NE2 3.16Å; K88-H97 HydrophobicContact CG-CB 4.23Å; K88-H97 VanDerWaalsContact CG-CD2 3.48Å; K88-H97 WeakPolarHBondContact CG-CD2 3.2Å
89	L	91.1	Very high	76.8	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.8	170.3	63.7	90.6	0	0	0	109.8	T45 P47 F96 L98 I158 I167 I190	T45-L89 HydrophobicContact CG2-CB 4.28Å; T45-L89 HydrophobicContact CG2-CD1 4.35Å; P47-L89 HydrophobicContact CB-CB 4.13Å; P47-L89 HydrophobicContact CB-CD2 4.23Å; P47-L89 HydrophobicContact CG-CB 4.33Å; P47-L89 HydrophobicContact CG-CD2 4.21Å; L89-F96 HydrophobicContact CD1-CB 3.95Å; L89-F96 HydrophobicContact CD1-CD2 3.66Å; L89-F96 HydrophobicContact CD1-CE2 4.46Å; L89-F96 HydrophobicContact CD1-CG 4.03Å; L89-F96 HydrophobicContact CG-CB 4.11Å; L89-F96 PolarHBondContact N-O 2.99Å; L89-F96 VanDerWaalsContact N-O 3.08Å; L89-F96 PolarHBondContact O-N 3.17Å; L89-L98 HydrophobicContact CD2-CD1 3.76Å; L89-L98 HydrophobicContact CG-CD1 4.42Å; L89-I158 HydrophobicContact CD1-CD1 4.43Å; L89-I158 HydrophobicContact CD2-CD1 4.24Å; L89-I167 HydrophobicContact CD2-CD1 3.57Å; L89-I190 HydrophobicContact CD1-CD1 3.92Å
90	S	86.9	Confident	78.9	Confident	57 Å²	57	46.2 Å²	46.2	40%	0.399	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.3	-175.9	-54.8	0	0	0	0	110.9	T45 K94 H95	T45-S90 WeakPolarHBondContact CB-O 3.29Å; T45-S90 PolarHBondContact OG1-N 2.86Å; T45-S90 PolarHBondContact OG1-O 3.25Å; S90-K94 WeakPolarHBondContact CA-O 3.41Å; S90-H95 PolarHBondContact OG-ND1 2.87Å
91	A	84.3	Confident	80.9	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.033	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	149	-179.8	0	0	0	0	0	111.4	G93 K94 F96 I190	A91-G93 PolarHBondContact O-N 2.52Å; A91-G93 VanDerWaalsContact O-N 3.09Å; A91-K94 PolarHBondContact N-O 3.39Å; A91-K94 PolarHBondContact O-N 2.97Å; A91-K94 VanDerWaalsContact O-O 3.13Å; A91-F96 HydrophobicContact CB-CE2 4.14Å; A91-I190 HydrophobicContact CB-CD1 3.89Å; A91-I190 HydrophobicContact CB-CG1 4.25Å; A91-I190 HydrophobicContact CB-CG2 3.54Å
92	Y	81.5	Confident	81.9	Confident	53 Å²	53	40.6 Å²	40.6	21%	0.208	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	33.4	178.8	-60.5	-86.6	0	0	0	114.2	H41 Y42 Q43 K94 Y165 Y191 K192	H41-Y92 PolarHBondContact O-OH 2.93Å; Y42-Y92 WeakPolarHBondContact CA-OH 3.48Å; Q43-Y92 HydrophobicContact CB-CE2 4.39Å; Q43-Y92 HydrophobicContact CG-CD1 4.38Å; Q43-Y92 HydrophobicContact CG-CE1 4.08Å; Q43-Y92 HydrophobicContact CG-CE2 4.23Å; Y92-K94 PolarHBondContact O-N 3.22Å; Y92-Y165 AromaticContact CD2-CD1 3.99Å; Y92-Y165 HydrophobicContact CD2-CD1 3.99Å; Y92-Y165 AromaticContact CD2-CE1 3.7Å; Y92-Y165 HydrophobicContact CD2-CE1 3.7Å; Y92-Y165 HydrophobicContact CE2-CD1 4.25Å; Y92-Y165 HydrophobicContact CE2-CE1 4.32Å; Y92-Y165 HydrophobicContact CG-CE1 4.24Å; Y92-Y191 WeakPolarHBondContact OH-CA 3.49Å; Y92-K192 HydrophobicContact CE1-CD 4.32Å; Y92-K192 HydrophobicContact CE1-CG 4.34Å; Y92-K192 HydrophobicContact CE2-CG 4.27Å
93	G	76.9	Confident	82.3	Confident	82 Å²	82	40.4 Å²	40.4	85%	0.845	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	0.7	-176.7	0	0	0	0	0	115.4	A91	A91-G93 PolarHBondContact O-N 2.52Å; A91-G93 VanDerWaalsContact O-N 3.09Å
94	K	79.7	Confident	81.6	Confident	65 Å²	65	42.6 Å²	42.6	28%	0.283	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143.9	172.4	-66.2	-172.5	178	-178.4	0	110.6	S90 A91 Y92 F96 D162	S90-K94 WeakPolarHBondContact CA-O 3.41Å; A91-K94 PolarHBondContact N-O 3.39Å; A91-K94 PolarHBondContact O-N 2.97Å; A91-K94 VanDerWaalsContact O-O 3.13Å; Y92-K94 PolarHBondContact O-N 3.22Å; K94-F96 HydrophobicContact CB-CD2 4.44Å; K94-F96 HydrophobicContact CB-CE2 3.77Å; K94-F96 HydrophobicContact CB-CZ 3.86Å; K94-F96 HydrophobicContact CD-CZ 4.31Å; K94-D162 IonicContact NZ-OD2 3.62Å; K94-D162 PolarHBondContact NZ-OD2 3.48Å
95	H	84.9	Confident	80.1	Confident	158 Å²	158	42.1 Å²	42.1	73%	0.731	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.7	168.8	-62.2	-64.3	0	0	0	108.9	S90	S90-H95 PolarHBondContact OG-ND1 2.87Å
96	F	88.7	Confident	77.9	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.6	-177.4	-60.6	-93.1	0	0	0	109	K88 L89 A91 K94 L137 I158 T160 Y165	K88-F96 VanDerWaalsContact CA-O 3.32Å; K88-F96 WeakPolarHBondContact CA-O 3.47Å; L89-F96 HydrophobicContact CD1-CB 3.95Å; L89-F96 HydrophobicContact CD1-CD2 3.66Å; L89-F96 HydrophobicContact CD1-CE2 4.46Å; L89-F96 HydrophobicContact CD1-CG 4.03Å; L89-F96 HydrophobicContact CG-CB 4.11Å; L89-F96 PolarHBondContact N-O 2.99Å; L89-F96 VanDerWaalsContact N-O 3.08Å; L89-F96 PolarHBondContact O-N 3.17Å; A91-F96 HydrophobicContact CB-CE2 4.14Å; K94-F96 HydrophobicContact CB-CD2 4.44Å; K94-F96 HydrophobicContact CB-CE2 3.77Å; K94-F96 HydrophobicContact CB-CZ 3.86Å; K94-F96 HydrophobicContact CD-CZ 4.31Å; F96-L137 HydrophobicContact CB-CD2 3.99Å; F96-L137 HydrophobicContact CD1-CD1 3.82Å; F96-L137 HydrophobicContact CD1-CD2 4.05Å; F96-L137 HydrophobicContact CE1-CD1 4.43Å; F96-I158 HydrophobicContact CD1-CG2 3.76Å; F96-I158 HydrophobicContact CE1-CG2 3.94Å; F96-T160 HydrophobicContact CE1-CG2 4.33Å; F96-Y165 AromaticContact CE1-CD2 3.96Å; F96-Y165 HydrophobicContact CE1-CD2 3.96Å; F96-Y165 AromaticContact CE1-CE2 3.98Å; F96-Y165 HydrophobicContact CE1-CE2 3.98Å; F96-Y165 HydrophobicContact CZ-CD1 4.37Å; F96-Y165 AromaticContact CZ-CD2 3.93Å; F96-Y165 HydrophobicContact CZ-CD2 3.93Å; F96-Y165 HydrophobicContact CZ-CE1 4.25Å; F96-Y165 AromaticContact CZ-CE2 3.8Å; F96-Y165 HydrophobicContact CZ-CE2 3.8Å; F96-Y165 HydrophobicContact CZ-CG 4.21Å; F96-Y165 AromaticContact CZ-CZ 3.96Å
97	H	90.8	Very high	75.6	Confident	20 Å²	20	45.7 Å²	45.7	9%	0.093	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	98.9	174.4	-170.5	-164.6	0	0	0	109.2	K88 L137 Q138	K88-H97 VanDerWaalsContact CE-CD2 3.41Å; K88-H97 WeakPolarHBondContact CE-CD2 3.47Å; K88-H97 WeakPolarHBondContact CE-NE2 3.16Å; K88-H97 HydrophobicContact CG-CB 4.23Å; K88-H97 VanDerWaalsContact CG-CD2 3.48Å; K88-H97 WeakPolarHBondContact CG-CD2 3.2Å; H97-L137 CarbonylContact O-C 3.56Å; H97-L137 WeakPolarHBondContact O-CA 3.24Å; H97-Q138 HydrophobicContact CB-CB 4.22Å; H97-Q138 PolarHBondContact O-N 3.04Å
98	L	89.1	Confident	73	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.4	-171.2	-54.1	164.8	0	0	0	109.7	F86 F87 L89 L100 L137 V146 L148 I158	F86-L98 VanDerWaalsContact CA-O 3.27Å; F86-L98 WeakPolarHBondContact CA-O 3.32Å; F87-L98 HydrophobicContact CB-CB 4.27Å; F87-L98 HydrophobicContact CB-CD1 3.96Å; F87-L98 PolarHBondContact N-O 2.84Å; F87-L98 PolarHBondContact O-N 2.82Å; L89-L98 HydrophobicContact CD2-CD1 3.76Å; L89-L98 HydrophobicContact CG-CD1 4.42Å; L98-L100 HydrophobicContact CB-CD2 4.3Å; L98-L100 HydrophobicContact CB-CG 4.34Å; L98-L137 HydrophobicContact CD2-CD2 3.56Å; L98-L137 HydrophobicContact CG-CD2 4.41Å; L98-V146 HydrophobicContact CD2-CG1 3.93Å; L98-V146 HydrophobicContact CD2-CG2 3.79Å; L98-L148 HydrophobicContact CD1-CD1 3.85Å; L98-I158 HydrophobicContact CD1-CD1 4.35Å; L98-I158 HydrophobicContact CD2-CD1 3.84Å; L98-I158 HydrophobicContact CD2-CG1 3.98Å
99	N	89.1	Confident	70.5	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.064	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110.9	170.8	179.1	-19.7	0	0	0	108.2	F86 G135 Y136 Q138	F86-N99 HydrophobicContact CD1-CB 4.01Å; F86-N99 HydrophobicContact CE1-CB 3.99Å; F86-N99 VanDerWaalsContact CE1-CG 3.44Å; F86-N99 WeakPolarHBondContact CE1-ND2 3.29Å; N99-G135 WeakPolarHBondContact O-CA 3.37Å; N99-Y136 HydrophobicContact CB-CD2 4.24Å; N99-Y136 HydrophobicContact CB-CE2 3.9Å; N99-Y136 PolarHBondContact N-O 2.66Å; N99-Y136 PolarHBondContact ND2-OH 3.19Å; N99-Y136 PolarHBondContact O-N 3.06Å; N99-Y136 VanDerWaalsContact O-N 3.15Å; N99-Q138 PolarHBondContact ND2-OE1 3.48Å
100	L	83.6	Confident	68.5	Low	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.6	-169.6	-56.3	-174.1	0	0	0	111.2	K84 L85 F87 L98 Y133 T134 V146 L148	K84-L100 CarbonylContact C-O 3.48Å; K84-L100 VanDerWaalsContact CA-O 3.28Å; K84-L100 WeakPolarHBondContact CA-O 3.24Å; L85-L100 HydrophobicContact CB-CB 4.35Å; L85-L100 PolarHBondContact N-O 2.9Å; L85-L100 WeakPolarHBondContact O-CA 3.04Å; L85-L100 WeakPolarHBondContact O-CB 3.01Å; L85-L100 PolarHBondContact O-N 2.84Å; F87-L100 HydrophobicContact CD2-CD1 3.71Å; F87-L100 HydrophobicContact CE2-CD1 3.99Å; L98-L100 HydrophobicContact CB-CD2 4.3Å; L98-L100 HydrophobicContact CB-CG 4.34Å; L100-Y133 HydrophobicContact CB-CD1 4.35Å; L100-Y133 HydrophobicContact CB-CG 4.46Å; L100-T134 WeakPolarHBondContact CA-O 3.25Å; L100-V146 HydrophobicContact CD2-CB 4.22Å; L100-V146 HydrophobicContact CD2-CG1 3.66Å; L100-L148 HydrophobicContact CD1-CB 4.47Å; L100-L148 HydrophobicContact CD1-CD1 4.19Å; L100-L148 HydrophobicContact CD2-CD1 4.5Å
101	T	81.8	Confident	67	Low	55 Å²	55	54.5 Å²	54.5	34%	0.337	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.8	170.6	-56.1	0	0	0	0	109	S83 K84 N103 Y133 T134	S83-T101 WeakPolarHBondContact O-CA 3.47Å; K84-T101 HydrophobicContact CG-CG2 4.32Å; T101-N103 PolarHBondContact O-N 2.58Å; T101-Y133 VanDerWaalsContact O-CA 3.3Å; T101-Y133 WeakPolarHBondContact O-CA 3.25Å; T101-Y133 WeakPolarHBondContact O-CB 3.16Å; T101-T134 PolarHBondContact N-O 3.34Å; T101-T134 PolarHBondContact O-N 3.01Å
102	L	69.3	Low	65.9	Low	14 Å²	14	56.1 Å²	56.1	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	128.9	176.5	177.3	69.3	0	0	0	109	V82 S83 T104 N130 Y133	V82-L102 HydrophobicContact CG1-CD2 4.38Å; S83-L102 PolarHBondContact O-N 2.81Å; L102-T104 HydrophobicContact CD2-CG2 3.97Å; L102-T104 HydrophobicContact CG-CG2 4.29Å; L102-T104 PolarHBondContact O-N 3.33Å; L102-T104 VanDerWaalsContact O-N 3.13Å; L102-N130 HydrophobicContact CD1-CB 4.11Å; L102-N130 HydrophobicContact CD2-CB 4.28Å; L102-Y133 VanDerWaalsContact CA-CD1 3.42Å; L102-Y133 HydrophobicContact CB-CD1 3.99Å; L102-Y133 HydrophobicContact CB-CE1 3.68Å; L102-Y133 HydrophobicContact CD1-CD1 4.32Å; L102-Y133 HydrophobicContact CD1-CE1 3.75Å; L102-Y133 HydrophobicContact CD1-CE2 4.19Å; L102-Y133 HydrophobicContact CG-CE1 4.32Å
103	N	61.2	Low	65.1	Low	57 Å²	57	53.6 Å²	53.6	31%	0.305	29%	0.292	S	S	.	.			trans	-80.4	92.4	169	-170.7	8	0	0	0	108.7	T101 D105 F106 H132	T101-N103 PolarHBondContact O-N 2.58Å; N103-D105 PolarHBondContact O-N 3.32Å; N103-D105 PolarHBondContact OD1-N 3.12Å; N103-F106 HydrophobicContact CB-CB 4.48Å; N103-H132 PolarHBondContact N-O 3.2Å
104	T	45.7	Very low	65.3	Low	91 Å²	91	50.7 Å²	50.7	56%	0.558	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-65.7	-18.8	178	42.9	0	0	0	0	113.2	L102 F106	L102-T104 HydrophobicContact CD2-CG2 3.97Å; L102-T104 HydrophobicContact CG-CG2 4.29Å; L102-T104 PolarHBondContact O-N 3.33Å; L102-T104 VanDerWaalsContact O-N 3.13Å; T104-F106 VanDerWaalsContact C-N 3.3Å; T104-F106 PolarHBondContact O-N 3.19Å
105	D	43.3	Very low	65.4	Low	106 Å²	106	48.1 Å²	48.1	57%	0.567	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-100.5	21.7	-165.2	-44.1	-21.7	0	0	0	110.4	N103 L474	N103-D105 PolarHBondContact O-N 3.32Å; N103-D105 PolarHBondContact OD1-N 3.12Å; D105-L474 HydrophobicContact CB-CD1 4.2Å; D105-L474 WeakPolarHBondContact O-CD1 3.44Å
106	F	38.7	Very low	65.3	Low	69 Å²	69	41.9 Å²	41.9	30%	0.303	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-96	-21.6	-171	-167.2	-114	0	0	0	114.4	N103 T104 H132	N103-F106 HydrophobicContact CB-CB 4.48Å; T104-F106 VanDerWaalsContact C-N 3.3Å; T104-F106 PolarHBondContact O-N 3.19Å; F106-H132 HydrophobicContact CD1-CB 3.97Å; F106-H132 AromaticContact CD1-CD2 3.62Å; F106-H132 AromaticContact CD1-CG 3.68Å; F106-H132 HydrophobicContact CE1-CB 4.2Å; F106-H132 AromaticContact CE1-CD2 3.49Å; F106-H132 VanDerWaalsContact CE1-CD2 3.49Å; F106-H132 WeakPolarHBondContact CE1-CD2 3.38Å; F106-H132 AromaticContact CE1-CE1 3.61Å; F106-H132 AromaticContact CE1-CG 3.5Å; F106-H132 VanDerWaalsContact CE1-CG 3.5Å; F106-H132 AromaticContact CE1-ND1 3.58Å; F106-H132 AromaticContact CE1-NE2 3.59Å; F106-H132 HydrophobicContact CG-CB 4.37Å; F106-H132 AromaticContact CZ-ND1 3.93Å
107	V	40.1	Very low	64.8	Low	38 Å²	38	41.8 Å²	41.8	23%	0.23	22%	0.215	C	C	.	.			trans	-147.4	138.6	-175.7	-173.8	0	0	0	0	113	F127 L128	V107-F127 HydrophobicContact CB-CD1 4.44Å; V107-F127 HydrophobicContact CG1-CB 4.07Å; V107-F127 HydrophobicContact CG1-CD1 3.79Å; V107-F127 HydrophobicContact CG1-CG 4.44Å; V107-F127 HydrophobicContact CG2-CD1 3.73Å; V107-F127 HydrophobicContact CG2-CE1 4.11Å; V107-L128 HydrophobicContact CB-CD2 3.93Å; V107-L128 HydrophobicContact CG1-CD2 3.59Å; V107-L128 HydrophobicContact CG1-CG 3.89Å
108	S	36.8	Very low	63.9	Low	35 Å²	35	47 Å²	47	25%	0.245	24%	0.237	C	C	.	.			trans	-81.4	149.1	175.5	180	0	0	0	0	113.6	H110	S108-H110 VanDerWaalsContact C-N 3.25Å; S108-H110 PolarHBondContact O-N 3.47Å; S108-H110 VanDerWaalsContact O-N 3.16Å
109	K	36.9	Very low	62.9	Low	164 Å²	164	54.3 Å²	54.3	71%	0.713	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.9	-175.7	-80.7	-175.4	176.5	176.1	0	116.6
110	H	49	Very low	62	Low	103 Å²	103	54.2 Å²	54.2	48%	0.477	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	16.4	-173.3	-58.8	-88.8	0	0	0	114	S108 T112 R471	S108-H110 VanDerWaalsContact C-N 3.25Å; S108-H110 PolarHBondContact O-N 3.47Å; S108-H110 VanDerWaalsContact O-N 3.16Å; H110-T112 PolarHBondContact O-N 3.4Å; H110-T112 PolarHBondContact O-OG1 2.88Å; H110-R471 VanDerWaalsContact CD2-CZ 3.48Å; H110-R471 PolarHBondContact CD2-NH1 2.86Å; H110-R471 VanDerWaalsContact CD2-NH1 3.32Å; H110-R471 PolarHBondContact CD2-NH2 3.33Å; H110-R471 PolarHBondContact NE2-NH2 3.47Å
111	F	55.2	Low	61.6	Low	15 Å²	15	58.1 Å²	58.1	7%	0.066	30%	0.304	C	S	.	.			trans	-73.5	113	173.8	169.6	-108	0	0	0	109	V113 F127 L276 L302 F473	F111-V113 HydrophobicContact CD1-CG2 4.29Å; F111-V113 HydrophobicContact CE1-CG2 3.42Å; F111-V113 VanDerWaalsContact CE1-CG2 3.42Å; F111-V113 HydrophobicContact CZ-CG2 3.67Å; F111-F127 HydrophobicContact CD1-CB 3.66Å; F111-F127 HydrophobicContact CD1-CG 4.13Å; F111-F127 HydrophobicContact CE1-CB 4.1Å; F111-F127 HydrophobicContact CE1-CD2 4.21Å; F111-F127 HydrophobicContact CE1-CG 4.17Å; F111-F127 PolarHBondContact O-N 3.24Å; F111-L276 HydrophobicContact CE1-CD1 4.44Å; F111-L276 HydrophobicContact CZ-CD1 4.37Å; F111-L276 HydrophobicContact CZ-CD2 4.18Å; F111-L302 HydrophobicContact CE2-CB 4.31Å; F111-L302 HydrophobicContact CZ-CB 4.17Å; F111-L302 HydrophobicContact CZ-CD2 4.47Å; F111-F473 HydrophobicContact CD2-CE2 4.03Å; F111-F473 HydrophobicContact CE2-CE2 4.41Å
112	T	61.5	Low	61.3	Low	38 Å²	38	61.1 Å²	61.1	23%	0.233	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.8	-178.1	-36.9	0	0	0	0	109.6	H110 E114 K124	H110-T112 PolarHBondContact O-N 3.4Å; H110-T112 PolarHBondContact O-OG1 2.88Å; T112-E114 HydrophobicContact CG2-CG 4.14Å; T112-K124 HydrophobicContact CG2-CB 4.17Å; T112-K124 HydrophobicContact CG2-CD 4.33Å
113	V	66	Low	61.1	Low	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.7	163.5	-172.1	0	0	0	0	108.4	F111 Y115 K124 H125 E272 L302 V304	F111-V113 HydrophobicContact CD1-CG2 4.29Å; F111-V113 HydrophobicContact CE1-CG2 3.42Å; F111-V113 VanDerWaalsContact CE1-CG2 3.42Å; F111-V113 HydrophobicContact CZ-CG2 3.67Å; V113-Y115 HydrophobicContact CG1-CD2 4.21Å; V113-Y115 HydrophobicContact CG1-CE2 3.77Å; V113-K124 VanDerWaalsContact O-CA 3.25Å; V113-K124 WeakPolarHBondContact O-CA 3.25Å; V113-H125 PolarHBondContact N-O 2.95Å; V113-H125 PolarHBondContact O-N 3.46Å; V113-E272 HydrophobicContact CG1-CG 4.24Å; V113-L302 HydrophobicContact CG1-CD2 4.14Å; V113-L302 HydrophobicContact CG1-CG 4.21Å; V113-L302 HydrophobicContact CG2-CD2 4.37Å; V113-V304 HydrophobicContact CG1-CG2 4.21Å
114	E	80.1	Confident	61.6	Low	20 Å²	20	71.4 Å²	71.4	9%	0.093	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126	-179.1	-66.3	175.4	-137.8	0	0	111.7	T112 W116 K124 R301 L302 V304	T112-E114 HydrophobicContact CG2-CG 4.14Å; E114-W116 PolarHBondContact OE2-NE1 2.91Å; E114-K124 HydrophobicContact CG-CB 4.01Å; E114-R301 IonicContact OE1-CZ 2.6Å; E114-R301 IonicContact OE1-NE 2.71Å; E114-R301 PolarHBondContact OE1-NE 3.42Å; E114-R301 IonicContact OE1-NH2 2.62Å; E114-R301 PolarHBondContact OE1-NH2 3.32Å; E114-R301 IonicContact OE2-CZ 3.63Å; E114-R301 IonicContact OE2-NE 2.82Å; E114-R301 IonicContact OE2-NH2 2.83Å; E114-R301 PolarHBondContact OE2-NH2 2.89Å; E114-L302 PolarHBondContact N-O 3.21Å; E114-V304 PolarHBondContact O-N 2.9Å
115	Y	81.2	Confident	62.2	Low	11 Å²	11	69 Å²	69	4%	0.043	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	111.2	173.7	-75.5	-109.6	0	0	0	109.1	V113 Q122 W123 R268 E272 V304 T306	V113-Y115 HydrophobicContact CG1-CD2 4.21Å; V113-Y115 HydrophobicContact CG1-CE2 3.77Å; Y115-Q122 PolarHBondContact O-N 3.48Å; Y115-W123 AromaticContact CD2-CE3 3.43Å; Y115-W123 HydrophobicContact CD2-CE3 3.43Å; Y115-W123 VanDerWaalsContact CD2-CE3 3.43Å; Y115-W123 AromaticContact CD2-CZ3 3.7Å; Y115-W123 HydrophobicContact CD2-CZ3 3.7Å; Y115-W123 AromaticContact CE2-CE3 3.82Å; Y115-W123 HydrophobicContact CE2-CE3 3.82Å; Y115-W123 AromaticContact CE2-CZ3 3.55Å; Y115-W123 HydrophobicContact CE2-CZ3 3.55Å; Y115-W123 AromaticContact CG-CE3 3.91Å; Y115-W123 HydrophobicContact CG-CE3 3.91Å; Y115-W123 HydrophobicContact CG-CZ3 4.45Å; Y115-W123 PolarHBondContact N-O 2.94Å; Y115-W123 PolarHBondContact O-N 3.34Å; Y115-R268 HydrophobicContact CE1-CB 4.49Å; Y115-R268 HydrophobicContact CE1-CG 4.39Å; Y115-R268 PolarHBondContact OH-O 2.79Å; Y115-E272 VanDerWaalsContact CE2-OE1 3.27Å; Y115-E272 WeakPolarHBondContact CE2-OE1 3.28Å; Y115-E272 PolarHBondContact OH-OE1 3.12Å; Y115-V304 WeakPolarHBondContact CA-O 3.47Å; Y115-V304 HydrophobicContact CD1-CB 4.07Å; Y115-V304 HydrophobicContact CD1-CG1 3.89Å; Y115-V304 HydrophobicContact CE1-CB 4.14Å; Y115-V304 HydrophobicContact CE1-CG1 3.74Å; Y115-V304 HydrophobicContact CG-CB 4.28Å; Y115-T306 HydrophobicContact CD1-CG2 3.75Å
116	W	82.7	Confident	62.7	Low	28 Å²	28	68.6 Å²	68.6	11%	0.106	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.2	-179.2	-68.5	33.3	0	0	0	109.8	E114 G120 P121 I303 V304 L305 T306 W328 I332	E114-W116 PolarHBondContact OE2-NE1 2.91Å; W116-G120 WeakPolarHBondContact CA-O 3.34Å; W116-P121 HydrophobicContact CG-CB 4.37Å; W116-I303 HydrophobicContact CD2-CG2 4.08Å; W116-I303 HydrophobicContact CG-CG2 3.93Å; W116-I303 HydrophobicContact CZ2-CD1 3.97Å; W116-V304 PolarHBondContact N-O 2.03Å; W116-L305 HydrophobicContact CB-CD2 3.89Å; W116-L305 HydrophobicContact CG-CD2 4.36Å; W116-T306 PolarHBondContact O-N 3.16Å; W116-T306 PolarHBondContact O-OG1 3.43Å; W116-W328 HydrophobicContact CE3-CZ2 4.06Å; W116-W328 HydrophobicContact CH2-CZ2 4.48Å; W116-W328 AromaticContact CZ3-CZ2 3.78Å; W116-W328 HydrophobicContact CZ3-CZ2 3.78Å; W116-I332 HydrophobicContact CH2-CD1 4.07Å; W116-I332 HydrophobicContact CH2-CG1 4.2Å
117	G	78.9	Confident	63.4	Low	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-167.4	168.7	0	0	0	0	0	109.9	D119 G120 Q309	G117-D119 PolarHBondContact O-N 3.44Å; G117-D119 VanDerWaalsContact O-N 3.09Å; G117-G120 PolarHBondContact N-O 3.04Å; G117-G120 PolarHBondContact O-N 3.42Å; G117-Q309 PolarHBondContact O-NE2 2.89Å; G117-Q309 PolarHBondContact O-OE1 2.91Å
118	K	72.3	Confident	63.8	Low	130 Å²	130	68.2 Å²	68.2	57%	0.565	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.9	-171.3	-168.7	172.4	-178	176.4	0	115.6
119	D	68.4	Low	64.6	Low	153 Å²	153	70.2 Å²	70.2	82%	0.818	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	19.5	-176.6	-49.1	-62.7	0	0	0	112.8	G117	G117-D119 PolarHBondContact O-N 3.44Å; G117-D119 VanDerWaalsContact O-N 3.09Å
120	G	70.3	Confident	65.7	Low	11 Å²	11	66.4 Å²	66.4	11%	0.113	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.7	-156.1	179.2	0	0	0	0	0	114.4	W116 G117 Q122	W116-G120 WeakPolarHBondContact CA-O 3.34Å; G117-G120 PolarHBondContact N-O 3.04Å; G117-G120 PolarHBondContact O-N 3.42Å; G120-Q122 PolarHBondContact O-N 3.03Å; G120-Q122 VanDerWaalsContact O-N 3.11Å
121	P	75	Confident	66.5	Low	83 Å²	83	61.6 Å²	61.6	54%	0.539	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	110.5	-175.4	24	-33.2	0	0	0	112.3	W116	W116-P121 HydrophobicContact CG-CB 4.37Å
122	Q	75.4	Confident	67.3	Low	117 Å²	117	63.4 Å²	63.4	55%	0.547	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-35	179.4	-72.9	-175.7	-14.5	0	0	112.7	Y115 G120	Y115-Q122 PolarHBondContact O-N 3.48Å; G120-Q122 PolarHBondContact O-N 3.03Å; G120-Q122 VanDerWaalsContact O-N 3.11Å
123	W	65.2	Low	68.2	Low	141 Å²	141	62 Å²	62	53%	0.534	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	145.4	178.4	-178.5	58.6	0	0	0	110.1	Y115 H125	Y115-W123 AromaticContact CD2-CE3 3.43Å; Y115-W123 HydrophobicContact CD2-CE3 3.43Å; Y115-W123 VanDerWaalsContact CD2-CE3 3.43Å; Y115-W123 AromaticContact CD2-CZ3 3.7Å; Y115-W123 HydrophobicContact CD2-CZ3 3.7Å; Y115-W123 AromaticContact CE2-CE3 3.82Å; Y115-W123 HydrophobicContact CE2-CE3 3.82Å; Y115-W123 AromaticContact CE2-CZ3 3.55Å; Y115-W123 HydrophobicContact CE2-CZ3 3.55Å; Y115-W123 AromaticContact CG-CE3 3.91Å; Y115-W123 HydrophobicContact CG-CE3 3.91Å; Y115-W123 HydrophobicContact CG-CZ3 4.45Å; Y115-W123 PolarHBondContact N-O 2.94Å; Y115-W123 PolarHBondContact O-N 3.34Å; W123-H125 HydrophobicContact CH2-CB 4.11Å; W123-H125 AromaticContact CH2-CD2 3.22Å; W123-H125 WeakPolarHBondContact CH2-CD2 3.45Å; W123-H125 AromaticContact CH2-CG 3.71Å; W123-H125 AromaticContact CH2-NE2 3.71Å; W123-H125 HydrophobicContact CZ2-CB 3.74Å; W123-H125 AromaticContact CZ2-CD2 3.77Å; W123-H125 AromaticContact CZ2-CG 3.88Å; W123-H125 AromaticContact CZ3-CD2 3.47Å; W123-H125 VanDerWaalsContact CZ3-CD2 3.47Å; W123-H125 WeakPolarHBondContact CZ3-CD2 3.45Å; W123-H125 AromaticContact CZ3-NE2 3.91Å
124	K	70	Confident	68.8	Low	147 Å²	147	65.6 Å²	65.6	64%	0.639	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.8	171.5	67.2	174.1	-173.8	168.2	0	109.9	T112 V113 E114	T112-K124 HydrophobicContact CG2-CB 4.17Å; T112-K124 HydrophobicContact CG2-CD 4.33Å; V113-K124 VanDerWaalsContact O-CA 3.25Å; V113-K124 WeakPolarHBondContact O-CA 3.25Å; E114-K124 HydrophobicContact CG-CB 4.01Å
125	H	59.9	Low	69	Low	40 Å²	40	65.5 Å²	65.5	19%	0.185	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.4	173.2	71.9	110.2	0	0	0	112	V113 W123 F127 E272	V113-H125 PolarHBondContact N-O 2.95Å; V113-H125 PolarHBondContact O-N 3.46Å; W123-H125 HydrophobicContact CH2-CB 4.11Å; W123-H125 AromaticContact CH2-CD2 3.22Å; W123-H125 WeakPolarHBondContact CH2-CD2 3.45Å; W123-H125 AromaticContact CH2-CG 3.71Å; W123-H125 AromaticContact CH2-NE2 3.71Å; W123-H125 HydrophobicContact CZ2-CB 3.74Å; W123-H125 AromaticContact CZ2-CD2 3.77Å; W123-H125 AromaticContact CZ2-CG 3.88Å; W123-H125 AromaticContact CZ3-CD2 3.47Å; W123-H125 VanDerWaalsContact CZ3-CD2 3.47Å; W123-H125 WeakPolarHBondContact CZ3-CD2 3.45Å; W123-H125 AromaticContact CZ3-NE2 3.91Å; H125-F127 AromaticContact CE1-CD2 3.92Å; H125-E272 IonicContact CD2-OE1 3.78Å; H125-E272 IonicContact CE1-OE1 2.63Å; H125-E272 IonicContact CE1-OE2 2.69Å; H125-E272 PolarHBondContact CE1-OE2 2.98Å; H125-E272 IonicContact NE2-OE1 2.67Å; H125-E272 PolarHBondContact NE2-OE1 2.03Å; H125-E272 IonicContact NE2-OE2 2.78Å; H125-E272 PolarHBondContact NE2-OE2 3.02Å
126	D	53.6	Low	69.1	Low	98 Å²	98	67.2 Å²	67.2	52%	0.524	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.2	162.6	-49.3	-55.8	0	0	0	106.7	L128	D126-L128 HydrophobicContact CB-CD1 4.19Å; D126-L128 PolarHBondContact O-N 3.29Å
127	F	52.2	Low	69.3	Low	42 Å²	42	66.3 Å²	66.3	18%	0.184	33%	0.332	C	S	.	.			trans	-68.5	22.2	-165.9	-168	-100.2	0	0	0	115.7	V107 F111 H125 D129 E272 H273	V107-F127 HydrophobicContact CB-CD1 4.44Å; V107-F127 HydrophobicContact CG1-CB 4.07Å; V107-F127 HydrophobicContact CG1-CD1 3.79Å; V107-F127 HydrophobicContact CG1-CG 4.44Å; V107-F127 HydrophobicContact CG2-CD1 3.73Å; V107-F127 HydrophobicContact CG2-CE1 4.11Å; F111-F127 HydrophobicContact CD1-CB 3.66Å; F111-F127 HydrophobicContact CD1-CG 4.13Å; F111-F127 HydrophobicContact CE1-CB 4.1Å; F111-F127 HydrophobicContact CE1-CD2 4.21Å; F111-F127 HydrophobicContact CE1-CG 4.17Å; F111-F127 PolarHBondContact O-N 3.24Å; H125-F127 AromaticContact CE1-CD2 3.92Å; F127-D129 PolarHBondContact O-N 3.42Å; F127-E272 WeakPolarHBondContact CD2-OE2 3.4Å; F127-E272 VanDerWaalsContact CE2-OE2 3.29Å; F127-E272 WeakPolarHBondContact CE2-OE2 3.48Å; F127-H273 AromaticContact CZ-CE1 3.8Å
128	L	49.8	Very low	69.3	Low	56 Å²	56	69.4 Å²	69.4	29%	0.293	35%	0.347	S	S	.	.			trans	-97.3	86.9	-160.9	-72.7	155.1	0	0	0	114.7	K65 V107 D126	K65-L128 PolarHBondContact NZ-O 3.18Å; V107-L128 HydrophobicContact CB-CD2 3.93Å; V107-L128 HydrophobicContact CG1-CD2 3.59Å; V107-L128 HydrophobicContact CG1-CG 3.89Å; D126-L128 HydrophobicContact CB-CD1 4.19Å; D126-L128 PolarHBondContact O-N 3.29Å
129	D	53	Low	69.3	Low	77 Å²	77	69.5 Å²	69.5	41%	0.412	35%	0.353	S	S	.	.			trans	-121.3	119.4	156.2	-112.8	-32.8	0	0	0	112.7	K65 F127 C131	K65-D129 WeakPolarHBondContact CE-OD1 3.16Å; K65-D129 IonicContact NZ-OD1 2.66Å; K65-D129 PolarHBondContact NZ-OD1 2.94Å; F127-D129 PolarHBondContact O-N 3.42Å; D129-C131 PolarHBondContact O-N 3.07Å; D129-C131 PolarHBondContact O-SG 3.01Å
130	N	60.3	Low	69.3	Low	84 Å²	84	66.3 Å²	66.3	45%	0.449	33%	0.334	S	S	.	.			trans	-78.2	71.8	-178.9	-71.1	11	0	0	0	109.9	N63 L102 Y133	N63-N130 PolarHBondContact ND2-O 3.39Å; L102-N130 HydrophobicContact CD1-CB 4.11Å; L102-N130 HydrophobicContact CD2-CB 4.28Å; N130-Y133 PolarHBondContact O-OH 3.33Å
131	C	66	Low	68.9	Low	3 Å²	3	74 Å²	74	2%	0.02	36%	0.359	C	S	.	.			trans	-131.8	15.1	-171.5	53.9	0	0	0	0	114.5	D129 Y133 S149 N150 C151	D129-C131 PolarHBondContact O-N 3.07Å; D129-C131 PolarHBondContact O-SG 3.01Å; C131-Y133 VanDerWaalsContact C-CE2 3.46Å; C131-S149 CarbonylContact O-C 3.51Å; C131-S149 WeakPolarHBondContact O-CA 3.2Å; C131-N150 WeakPolarHBondContact CA-OD1 3.41Å; C131-N150 WeakPolarHBondContact CB-OD1 3.39Å; C131-N150 PolarHBondContact O-N 3.04Å; C131-N150 PolarHBondContact O-OD1 2.79Å; C131-C151 HydrophobicContact CB-CB 3.83Å; C131-C151 WeakPolarHBondContact CB-SG 3.26Å; C131-C151 WeakPolarHBondContact SG-CB 3.46Å; C131-C151 CovalentContact SG-SG 2.02Å; C131-C151 PolarHBondContact SG-SG 2.83Å
132	H	71.9	Confident	67.8	Low	53 Å²	53	75.8 Å²	75.8	25%	0.245	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.1	178.9	-64.8	-98.1	0	0	0	111.1	N103 F106 C151	N103-H132 PolarHBondContact N-O 3.2Å; F106-H132 HydrophobicContact CD1-CB 3.97Å; F106-H132 AromaticContact CD1-CD2 3.62Å; F106-H132 AromaticContact CD1-CG 3.68Å; F106-H132 HydrophobicContact CE1-CB 4.2Å; F106-H132 AromaticContact CE1-CD2 3.49Å; F106-H132 VanDerWaalsContact CE1-CD2 3.49Å; F106-H132 WeakPolarHBondContact CE1-CD2 3.38Å; F106-H132 AromaticContact CE1-CE1 3.61Å; F106-H132 AromaticContact CE1-CG 3.5Å; F106-H132 VanDerWaalsContact CE1-CG 3.5Å; F106-H132 AromaticContact CE1-ND1 3.58Å; F106-H132 AromaticContact CE1-NE2 3.59Å; F106-H132 HydrophobicContact CG-CB 4.37Å; F106-H132 AromaticContact CZ-ND1 3.93Å; H132-C151 PolarHBondContact NE2-SG 3.43Å; H132-C151 VanDerWaalsContact NE2-SG 3.42Å
133	Y	79.2	Confident	67	Low	8 Å²	8	72.5 Å²	72.5	3%	0.031	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.1	-171.4	-58.3	-102.8	0	0	0	112.6	L85 L100 T101 L102 N130 C131 L148 N150	L85-Y133 HydrophobicContact CB-CE1 4.4Å; L85-Y133 HydrophobicContact CD1-CD1 4.07Å; L85-Y133 HydrophobicContact CD1-CD2 4.38Å; L85-Y133 HydrophobicContact CD1-CE1 3.46Å; L85-Y133 VanDerWaalsContact CD1-CE1 3.46Å; L85-Y133 HydrophobicContact CD1-CE2 3.82Å; L85-Y133 HydrophobicContact CG-CD1 4.19Å; L85-Y133 HydrophobicContact CG-CE1 3.6Å; L100-Y133 HydrophobicContact CB-CD1 4.35Å; L100-Y133 HydrophobicContact CB-CG 4.46Å; T101-Y133 VanDerWaalsContact O-CA 3.3Å; T101-Y133 WeakPolarHBondContact O-CA 3.25Å; T101-Y133 WeakPolarHBondContact O-CB 3.16Å; L102-Y133 VanDerWaalsContact CA-CD1 3.42Å; L102-Y133 HydrophobicContact CB-CD1 3.99Å; L102-Y133 HydrophobicContact CB-CE1 3.68Å; L102-Y133 HydrophobicContact CD1-CD1 4.32Å; L102-Y133 HydrophobicContact CD1-CE1 3.75Å; L102-Y133 HydrophobicContact CD1-CE2 4.19Å; L102-Y133 HydrophobicContact CG-CE1 4.32Å; N130-Y133 PolarHBondContact O-OH 3.33Å; C131-Y133 VanDerWaalsContact C-CE2 3.46Å; Y133-L148 PolarHBondContact N-O 2.83Å; Y133-L148 PolarHBondContact O-N 3.08Å; Y133-N150 WeakPolarHBondContact CE2-OD1 3.33Å
134	T	78.6	Confident	66.8	Low	76 Å²	76	66.1 Å²	66.1	47%	0.466	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.4	173.5	59.4	0	0	0	0	110.6	L100 T101 V146	L100-T134 WeakPolarHBondContact CA-O 3.25Å; T101-T134 PolarHBondContact N-O 3.34Å; T101-T134 PolarHBondContact O-N 3.01Å; T134-V146 CarbonylContact C-O 3.51Å; T134-V146 WeakPolarHBondContact CA-O 3.49Å
135	G	84.1	Confident	67	Low	17 Å²	17	67 Å²	67	18%	0.175	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-162.5	-171.1	0	0	0	0	0	116.3	N99 V146	N99-G135 WeakPolarHBondContact O-CA 3.37Å; G135-V146 PolarHBondContact N-O 2.73Å; G135-V146 PolarHBondContact O-N 2.9Å
136	Y	84.3	Confident	67.8	Low	47 Å²	47	65.4 Å²	65.4	18%	0.184	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	167.7	-175.4	48.3	-90	0	0	0	110.8	N99 R141	N99-Y136 HydrophobicContact CB-CD2 4.24Å; N99-Y136 HydrophobicContact CB-CE2 3.9Å; N99-Y136 PolarHBondContact N-O 2.66Å; N99-Y136 PolarHBondContact ND2-OH 3.19Å; N99-Y136 PolarHBondContact O-N 3.06Å; N99-Y136 VanDerWaalsContact O-N 3.15Å; Y136-R141 HydrophobicContact CD1-CG 4.31Å; Y136-R141 HydrophobicContact CD2-CB 3.78Å; Y136-R141 HydrophobicContact CD2-CG 3.57Å; Y136-R141 HydrophobicContact CE1-CG 4.36Å; Y136-R141 HydrophobicContact CE2-CB 4.05Å; Y136-R141 HydrophobicContact CE2-CG 3.6Å; Y136-R141 HydrophobicContact CG-CB 4.41Å; Y136-R141 HydrophobicContact CG-CG 3.95Å; Y136-R141 PolarHBondContact OH-NE 3.25Å
137	L	86.3	Confident	69	Low	10 Å²	10	62.9 Å²	62.9	5%	0.052	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.5	166.4	-61.5	-176.7	0	0	0	109.8	F96 H97 L98 D139 Q140 R141 T144 I158 T160	F96-L137 HydrophobicContact CB-CD2 3.99Å; F96-L137 HydrophobicContact CD1-CD1 3.82Å; F96-L137 HydrophobicContact CD1-CD2 4.05Å; F96-L137 HydrophobicContact CE1-CD1 4.43Å; H97-L137 CarbonylContact O-C 3.56Å; H97-L137 WeakPolarHBondContact O-CA 3.24Å; L98-L137 HydrophobicContact CD2-CD2 3.56Å; L98-L137 HydrophobicContact CG-CD2 4.41Å; L137-D139 PolarHBondContact O-N 2.75Å; L137-D139 VanDerWaalsContact O-N 3.14Å; L137-Q140 HydrophobicContact CB-CB 4.36Å; L137-Q140 CarbonylContact O-C 3.56Å; L137-Q140 PolarHBondContact O-N 2.86Å; L137-R141 PolarHBondContact O-N 3.41Å; L137-T144 HydrophobicContact CB-CG2 4.26Å; L137-T144 WeakPolarHBondContact CB-OG1 3.06Å; L137-T144 HydrophobicContact CD1-CG2 3.99Å; L137-T144 HydrophobicContact CG-CG2 4.2Å; L137-T144 PolarHBondContact N-OG1 2.86Å; L137-I158 HydrophobicContact CD2-CG2 4.44Å; L137-T160 HydrophobicContact CD1-CG2 4.05Å
138	Q	79.6	Confident	70.2	Confident	64 Å²	64	61.2 Å²	61.2	30%	0.299	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-40	-173.3	-174.3	73.2	-24.2	0	0	112.6	H97 N99	H97-Q138 HydrophobicContact CB-CB 4.22Å; H97-Q138 PolarHBondContact O-N 3.04Å; N99-Q138 PolarHBondContact ND2-OE1 3.48Å
139	D	71.5	Confident	71.5	Confident	132 Å²	132	59.4 Å²	59.4	71%	0.706	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.9	-176.2	-47.1	-62.2	0	0	0	113.5	L137	L137-D139 PolarHBondContact O-N 2.75Å; L137-D139 VanDerWaalsContact O-N 3.14Å
140	Q	69.1	Low	72.7	Confident	87 Å²	87	56 Å²	56	41%	0.407	29%	0.294	S	S	.	.			trans	-140	45.8	-173.7	-64.5	-171.6	-39.4	0	0	112.1	L137 S142 T143 T144	L137-Q140 HydrophobicContact CB-CB 4.36Å; L137-Q140 CarbonylContact O-C 3.56Å; L137-Q140 PolarHBondContact O-N 2.86Å; Q140-S142 VanDerWaalsContact C-N 3.31Å; Q140-S142 PolarHBondContact O-N 2.95Å; Q140-S142 VanDerWaalsContact O-N 3.16Å; Q140-T143 PolarHBondContact O-N 2.79Å; Q140-T144 HydrophobicContact CB-CG2 3.57Å; Q140-T144 PolarHBondContact O-N 2.79Å; Q140-T144 PolarHBondContact O-OG1 3.03Å
141	R	60.9	Low	73	Confident	173 Å²	173	53.6 Å²	53.6	65%	0.653	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.7	-168	-179.7	168.9	-177.1	-173.5	-0.9	116.3	Y136 L137	Y136-R141 HydrophobicContact CD1-CG 4.31Å; Y136-R141 HydrophobicContact CD2-CB 3.78Å; Y136-R141 HydrophobicContact CD2-CG 3.57Å; Y136-R141 HydrophobicContact CE1-CG 4.36Å; Y136-R141 HydrophobicContact CE2-CB 4.05Å; Y136-R141 HydrophobicContact CE2-CG 3.6Å; Y136-R141 HydrophobicContact CG-CB 4.41Å; Y136-R141 HydrophobicContact CG-CG 3.95Å; Y136-R141 PolarHBondContact OH-NE 3.25Å; L137-R141 PolarHBondContact O-N 3.41Å
142	S	52.7	Low	72.8	Confident	119 Å²	119	58.6 Å²	58.6	83%	0.832	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-14.6	-177.5	50.5	0	0	0	0	114.4	Q140	Q140-S142 VanDerWaalsContact C-N 3.31Å; Q140-S142 PolarHBondContact O-N 2.95Å; Q140-S142 VanDerWaalsContact O-N 3.16Å
143	T	57.9	Low	72.8	Confident	49 Å²	49	56.2 Å²	56.2	30%	0.301	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	1.3	-168.8	64.1	0	0	0	0	113.8	Q140 E161	Q140-T143 PolarHBondContact O-N 2.79Å; T143-E161 WeakPolarHBondContact CB-OE1 3.2Å; T143-E161 HydrophobicContact CG2-CG 4.36Å; T143-E161 VanDerWaalsContact CG2-OE1 3.31Å; T143-E161 WeakPolarHBondContact CG2-OE1 3.43Å; T143-E161 PolarHBondContact OG1-OE2 2.94Å
144	T	61.5	Low	72.8	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.037	30%	0.303	C	S	.	.			trans	-127.5	147.6	-178.7	62.9	0	0	0	0	111.1	L137 Q140 A159 T160	L137-T144 HydrophobicContact CB-CG2 4.26Å; L137-T144 WeakPolarHBondContact CB-OG1 3.06Å; L137-T144 HydrophobicContact CD1-CG2 3.99Å; L137-T144 HydrophobicContact CG-CG2 4.2Å; L137-T144 PolarHBondContact N-OG1 2.86Å; Q140-T144 HydrophobicContact CB-CG2 3.57Å; Q140-T144 PolarHBondContact O-N 2.79Å; Q140-T144 PolarHBondContact O-OG1 3.03Å; T144-A159 WeakPolarHBondContact CA-O 3.27Å; T144-A159 WeakPolarHBondContact CB-O 3.5Å; T144-T160 HydrophobicContact CG2-CG2 4.16Å
145	K	73.9	Confident	72.7	Confident	165 Å²	165	56.7 Å²	56.7	72%	0.717	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.8	178	-69.4	-176.3	178.4	-179.4	0	109.9	A159	K145-A159 PolarHBondContact N-O 2.83Å; K145-A159 VanDerWaalsContact N-O 3.11Å; K145-A159 PolarHBondContact O-N 2.62Å
146	V	78.3	Confident	72.2	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.9	-177.4	-177.8	0	0	0	0	109.2	L98 L100 T134 G135 L148 I158	L98-V146 HydrophobicContact CD2-CG1 3.93Å; L98-V146 HydrophobicContact CD2-CG2 3.79Å; L100-V146 HydrophobicContact CD2-CB 4.22Å; L100-V146 HydrophobicContact CD2-CG1 3.66Å; T134-V146 CarbonylContact C-O 3.51Å; T134-V146 WeakPolarHBondContact CA-O 3.49Å; G135-V146 PolarHBondContact N-O 2.73Å; G135-V146 PolarHBondContact O-N 2.9Å; V146-L148 HydrophobicContact CG1-CD1 3.53Å; V146-L148 HydrophobicContact CG1-CG 3.68Å; V146-I158 HydrophobicContact CG1-CG1 4.23Å; V146-I158 HydrophobicContact CG2-CG1 4.44Å; V146-I158 HydrophobicContact CG2-CG2 4.35Å
147	A	78.6	Confident	71.7	Confident	45 Å²	45	56.7 Å²	56.7	37%	0.372	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117	171.1	0	0	0	0	0	108.1	V157	A147-V157 HydrophobicContact CB-CG1 4.39Å; A147-V157 PolarHBondContact N-O 2.72Å; A147-V157 VanDerWaalsContact N-O 3.12Å; A147-V157 PolarHBondContact O-N 2.7Å
148	L	75.9	Confident	71.5	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.3	-171.7	-68.3	172.9	0	0	0	111.4	L98 L100 Y133 V146 H155 I167	L98-L148 HydrophobicContact CD1-CD1 3.85Å; L100-L148 HydrophobicContact CD1-CB 4.47Å; L100-L148 HydrophobicContact CD1-CD1 4.19Å; L100-L148 HydrophobicContact CD2-CD1 4.5Å; Y133-L148 PolarHBondContact N-O 2.83Å; Y133-L148 PolarHBondContact O-N 3.08Å; V146-L148 HydrophobicContact CG1-CD1 3.53Å; V146-L148 HydrophobicContact CG1-CG 3.68Å; L148-H155 WeakPolarHBondContact CA-O 3.1Å; L148-I167 HydrophobicContact CD2-CG2 3.55Å
149	S	77.9	Confident	71.3	Confident	19 Å²	19	54.6 Å²	54.6	13%	0.133	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	149.6	159.7	177.3	0	0	0	0	109.8	C131 C151 L154 H155	C131-S149 CarbonylContact O-C 3.51Å; C131-S149 WeakPolarHBondContact O-CA 3.2Å; S149-C151 PolarHBondContact OG-N 2.72Å; S149-C151 PolarHBondContact OG-SG 2.72Å; S149-L154 WeakPolarHBondContact O-CA 3.02Å; S149-H155 PolarHBondContact N-O 2.86Å; S149-H155 PolarHBondContact O-N 2.83Å
150	N	77.1	Confident	71.6	Confident	4 Å²	4	49 Å²	49	2%	0.021	27%	0.272	C	S	.	.			trans	-122.4	10.3	167.5	91.9	-34.6	0	0	0	114.1	V61 C131 Y133 V152 G153 L154	V61-N150 WeakPolarHBondContact O-CB 3.48Å; V61-N150 PolarHBondContact O-ND2 2.95Å; C131-N150 WeakPolarHBondContact CA-OD1 3.41Å; C131-N150 WeakPolarHBondContact CB-OD1 3.39Å; C131-N150 PolarHBondContact O-N 3.04Å; C131-N150 PolarHBondContact O-OD1 2.79Å; Y133-N150 WeakPolarHBondContact CE2-OD1 3.33Å; N150-V152 VanDerWaalsContact C-N 3.27Å; N150-V152 PolarHBondContact O-N 2.87Å; N150-G153 CarbonylContact C-O 3.51Å; N150-G153 VanDerWaalsContact CA-O 3.32Å; N150-G153 WeakPolarHBondContact CA-O 3.4Å; N150-G153 PolarHBondContact O-N 2.79Å; N150-L154 HydrophobicContact CB-CD2 3.93Å
151	C	67.1	Low	71.6	Confident	34 Å²	34	51.4 Å²	51.4	23%	0.23	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.3	-173.8	-45	0	0	0	0	112.6	K62 C131 H132 S149	K62-C151 WeakPolarHBondContact CE-O 3.32Å; C131-C151 HydrophobicContact CB-CB 3.83Å; C131-C151 WeakPolarHBondContact CB-SG 3.26Å; C131-C151 WeakPolarHBondContact SG-CB 3.46Å; C131-C151 CovalentContact SG-SG 2.02Å; C131-C151 PolarHBondContact SG-SG 2.83Å; H132-C151 PolarHBondContact NE2-SG 3.43Å; H132-C151 VanDerWaalsContact NE2-SG 3.42Å; S149-C151 PolarHBondContact OG-N 2.72Å; S149-C151 PolarHBondContact OG-SG 2.72Å
152	V	63.2	Low	71.9	Confident	108 Å²	108	48.8 Å²	48.8	66%	0.655	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	19.3	-176.4	-64.4	0	0	0	0	112.7	N150 P169	N150-V152 VanDerWaalsContact C-N 3.27Å; N150-V152 PolarHBondContact O-N 2.87Å; V152-P169 WeakPolarHBondContact O-CG 3.33Å
153	G	71.3	Confident	73	Confident	3 Å²	3	44.9 Å²	44.9	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	105.7	172.7	-160.5	0	0	0	0	0	111	N150 H155	N150-G153 CarbonylContact C-O 3.51Å; N150-G153 VanDerWaalsContact CA-O 3.32Å; N150-G153 WeakPolarHBondContact CA-O 3.4Å; N150-G153 PolarHBondContact O-N 2.79Å; G153-H155 PolarHBondContact O-N 2.84Å
154	L	78.7	Confident	73.9	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.247	C	C	.	.	S	Bend	trans	-72.9	119.6	-178.3	-68.1	-172.9	0	0	0	110.5	P47 V61 F87 S149 N150 P169 H188	P47-L154 HydrophobicContact CB-CD1 3.6Å; P47-L154 HydrophobicContact CG-CD1 3.93Å; V61-L154 HydrophobicContact CB-CG 4.13Å; V61-L154 HydrophobicContact CG1-CD1 4.32Å; V61-L154 HydrophobicContact CG1-CG 4.13Å; F87-L154 HydrophobicContact CD1-CD1 4.32Å; F87-L154 HydrophobicContact CD2-CD1 4.45Å; F87-L154 HydrophobicContact CD2-CD2 4.34Å; F87-L154 HydrophobicContact CE2-CD2 4.01Å; F87-L154 HydrophobicContact CG-CD1 4.2Å; F87-L154 HydrophobicContact CZ-CD2 4.15Å; S149-L154 WeakPolarHBondContact O-CA 3.02Å; N150-L154 HydrophobicContact CB-CD2 3.93Å; L154-P169 WeakPolarHBondContact O-CD 3.13Å; L154-H188 PolarHBondContact O-CD2 3.1Å; L154-H188 VanDerWaalsContact O-CD2 3.23Å
155	H	76.6	Confident	74.7	Confident	94 Å²	94	44.7 Å²	44.7	44%	0.435	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.8	178.1	-178.9	74.1	0	0	0	110.7	L148 S149 G153 I167 E168	L148-H155 WeakPolarHBondContact CA-O 3.1Å; S149-H155 PolarHBondContact N-O 2.86Å; S149-H155 PolarHBondContact O-N 2.83Å; G153-H155 PolarHBondContact O-N 2.84Å; H155-I167 WeakPolarHBondContact CA-O 3.05Å; H155-E168 WeakPolarHBondContact ND1-CB 3.44Å
156	G	74.8	Confident	75	Confident	21 Å²	21	39.9 Å²	39.9	22%	0.216	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.3	-145.1	177.2	0	0	0	0	0	113.6	I167	G156-I167 PolarHBondContact N-O 3.44Å; G156-I167 PolarHBondContact O-N 2.88Å
157	V	72.2	Confident	75.1	Confident	42 Å²	42	39.7 Å²	39.7	26%	0.255	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.4	-166.6	68	0	0	0	0	113.5	A147 F166	A147-V157 HydrophobicContact CB-CG1 4.39Å; A147-V157 PolarHBondContact N-O 2.72Å; A147-V157 VanDerWaalsContact N-O 3.12Å; A147-V157 PolarHBondContact O-N 2.7Å; V157-F166 HydrophobicContact CB-CD1 4.4Å; V157-F166 HydrophobicContact CB-CE1 4.44Å; V157-F166 HydrophobicContact CG2-CD1 4.3Å; V157-F166 HydrophobicContact CG2-CE1 4.13Å
158	I	83.3	Confident	75.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	106.4	172.8	-61.4	164.6	0	0	0	107.4	L89 F96 L98 L137 V146 Y165	L89-I158 HydrophobicContact CD1-CD1 4.43Å; L89-I158 HydrophobicContact CD2-CD1 4.24Å; F96-I158 HydrophobicContact CD1-CG2 3.76Å; F96-I158 HydrophobicContact CE1-CG2 3.94Å; L98-I158 HydrophobicContact CD1-CD1 4.35Å; L98-I158 HydrophobicContact CD2-CD1 3.84Å; L98-I158 HydrophobicContact CD2-CG1 3.98Å; L137-I158 HydrophobicContact CD2-CG2 4.44Å; V146-I158 HydrophobicContact CG1-CG1 4.23Å; V146-I158 HydrophobicContact CG2-CG1 4.44Å; V146-I158 HydrophobicContact CG2-CG2 4.35Å; I158-Y165 PolarHBondContact N-O 2.92Å; I158-Y165 PolarHBondContact O-N 2.98Å
159	A	75.2	Confident	75.2	Confident	30 Å²	30	39.6 Å²	39.6	25%	0.248	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.5	179.1	0	0	0	0	0	111.3	T144 K145 E164	T144-A159 WeakPolarHBondContact CA-O 3.27Å; T144-A159 WeakPolarHBondContact CB-O 3.5Å; K145-A159 PolarHBondContact N-O 2.83Å; K145-A159 VanDerWaalsContact N-O 3.11Å; K145-A159 PolarHBondContact O-N 2.62Å; A159-E164 HydrophobicContact CB-CG 4.45Å
160	T	77.1	Confident	75.2	Confident	15 Å²	15	40.3 Å²	40.3	9%	0.092	22%	0.22	C	C	.	.			trans	-129.3	166.7	176.4	66.8	0	0	0	0	110.5	F96 L137 T144 D162 E163 Y165	F96-T160 HydrophobicContact CE1-CG2 4.33Å; L137-T160 HydrophobicContact CD1-CG2 4.05Å; T144-T160 HydrophobicContact CG2-CG2 4.16Å; T160-D162 VanDerWaalsContact C-N 3.26Å; T160-D162 PolarHBondContact O-N 2.04Å; T160-E163 PolarHBondContact N-O 3.04Å; T160-E163 PolarHBondContact O-N 3.39Å; T160-E163 PolarHBondContact OG1-N 2.66Å; T160-E163 PolarHBondContact OG1-O 2.83Å; T160-Y165 HydrophobicContact CG2-CE2 4.33Å
161	E	69.8	Low	74.8	Confident	137 Å²	137	46.7 Å²	46.7	64%	0.64	25%	0.247	S	C	*	.	S	Bend	trans	-58.6	-36.7	-177.9	-61.9	-177.7	112.4	0	0	113.1	T143	T143-E161 WeakPolarHBondContact CB-OE1 3.2Å; T143-E161 HydrophobicContact CG2-CG 4.36Å; T143-E161 VanDerWaalsContact CG2-OE1 3.31Å; T143-E161 WeakPolarHBondContact CG2-OE1 3.43Å; T143-E161 PolarHBondContact OG1-OE2 2.94Å
162	D	67.4	Low	74.2	Confident	119 Å²	119	49.3 Å²	49.3	64%	0.636	26%	0.259	S	S	*	.	S	Bend	trans	-80.5	-36.1	-179.1	-46.5	-51.6	0	0	0	113.1	K94 T160	K94-D162 IonicContact NZ-OD2 3.62Å; K94-D162 PolarHBondContact NZ-OD2 3.48Å; T160-D162 VanDerWaalsContact C-N 3.26Å; T160-D162 PolarHBondContact O-N 2.04Å
163	E	75.8	Confident	73.4	Confident	36 Å²	36	48.6 Å²	48.6	17%	0.168	26%	0.255	C	S	.	.			trans	-162.9	149.3	-154.1	-169.2	68	-91.9	0	0	112.9	T160 Y165 K192	T160-E163 PolarHBondContact N-O 3.04Å; T160-E163 PolarHBondContact O-N 3.39Å; T160-E163 PolarHBondContact OG1-N 2.66Å; T160-E163 PolarHBondContact OG1-O 2.83Å; E163-Y165 HydrophobicContact CB-CE2 3.8Å; E163-Y165 HydrophobicContact CG-CD2 4.42Å; E163-Y165 HydrophobicContact CG-CE1 4.09Å; E163-Y165 HydrophobicContact CG-CE2 3.93Å; E163-K192 HydrophobicContact CG-CD 4.16Å; E163-K192 HydrophobicContact CG-CG 3.96Å; E163-K192 VanDerWaalsContact OE2-CD 3.32Å; E163-K192 WeakPolarHBondContact OE2-CD 3.48Å; E163-K192 VanDerWaalsContact OE2-CE 3.24Å; E163-K192 WeakPolarHBondContact OE2-CE 3.31Å; E163-K192 IonicContact OE2-NZ 2.77Å; E163-K192 PolarHBondContact OE2-NZ 3.47Å
164	E	75.4	Confident	71.8	Confident	46 Å²	46	53.7 Å²	53.7	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.1	171.3	-68.3	170.7	-124.1	0	0	110.6	A159 K193	A159-E164 HydrophobicContact CB-CG 4.45Å; E164-K193 HydrophobicContact CB-CB 4.29Å; E164-K193 HydrophobicContact CB-CD 4.04Å; E164-K193 VanDerWaalsContact CD-CD 3.49Å; E164-K193 HydrophobicContact CG-CD 4.34Å; E164-K193 PolarHBondContact O-N 2.92Å; E164-K193 IonicContact OE1-NZ 3.13Å; E164-K193 PolarHBondContact OE1-NZ 3.07Å; E164-K193 VanDerWaalsContact OE2-CD 3.25Å; E164-K193 WeakPolarHBondContact OE2-CD 3.47Å; E164-K193 WeakPolarHBondContact OE2-CE 3.48Å; E164-K193 IonicContact OE2-NZ 2.76Å; E164-K193 PolarHBondContact OE2-NZ 2.84Å
165	Y	79.4	Confident	69.9	Low	5 Å²	5	62.9 Å²	62.9	2%	0.02	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.6	179.5	-56.4	-92.6	0	0	0	110.6	Y92 F96 I158 T160 E163 Y191 K192	Y92-Y165 AromaticContact CD2-CD1 3.99Å; Y92-Y165 HydrophobicContact CD2-CD1 3.99Å; Y92-Y165 AromaticContact CD2-CE1 3.7Å; Y92-Y165 HydrophobicContact CD2-CE1 3.7Å; Y92-Y165 HydrophobicContact CE2-CD1 4.25Å; Y92-Y165 HydrophobicContact CE2-CE1 4.32Å; Y92-Y165 HydrophobicContact CG-CE1 4.24Å; F96-Y165 AromaticContact CE1-CD2 3.96Å; F96-Y165 HydrophobicContact CE1-CD2 3.96Å; F96-Y165 AromaticContact CE1-CE2 3.98Å; F96-Y165 HydrophobicContact CE1-CE2 3.98Å; F96-Y165 HydrophobicContact CZ-CD1 4.37Å; F96-Y165 AromaticContact CZ-CD2 3.93Å; F96-Y165 HydrophobicContact CZ-CD2 3.93Å; F96-Y165 HydrophobicContact CZ-CE1 4.25Å; F96-Y165 AromaticContact CZ-CE2 3.8Å; F96-Y165 HydrophobicContact CZ-CE2 3.8Å; F96-Y165 HydrophobicContact CZ-CG 4.21Å; F96-Y165 AromaticContact CZ-CZ 3.96Å; I158-Y165 PolarHBondContact N-O 2.92Å; I158-Y165 PolarHBondContact O-N 2.98Å; T160-Y165 HydrophobicContact CG2-CE2 4.33Å; E163-Y165 HydrophobicContact CB-CE2 3.8Å; E163-Y165 HydrophobicContact CG-CD2 4.42Å; E163-Y165 HydrophobicContact CG-CE1 4.09Å; E163-Y165 HydrophobicContact CG-CE2 3.93Å; Y165-Y191 WeakPolarHBondContact CA-O 3.36Å; Y165-K192 HydrophobicContact CD1-CG 4.3Å; Y165-K192 HydrophobicContact CE1-CG 4.14Å
166	F	79.9	Confident	68.1	Low	65 Å²	65	66 Å²	66	29%	0.285	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.1	172.7	-64.9	-86.7	0	0	0	109.8	V157 I190 Y191 K193	V157-F166 HydrophobicContact CB-CD1 4.4Å; V157-F166 HydrophobicContact CB-CE1 4.44Å; V157-F166 HydrophobicContact CG2-CD1 4.3Å; V157-F166 HydrophobicContact CG2-CE1 4.13Å; F166-I190 VanDerWaalsContact O-CA 3.24Å; F166-I190 WeakPolarHBondContact O-CA 3.49Å; F166-I190 WeakPolarHBondContact O-CG1 3.49Å; F166-Y191 HydrophobicContact CB-CD2 4.39Å; F166-Y191 HydrophobicContact CB-CE1 4.06Å; F166-Y191 HydrophobicContact CB-CE2 3.9Å; F166-Y191 HydrophobicContact CD2-CD2 4.45Å; F166-Y191 AromaticContact CD2-CE2 3.99Å; F166-Y191 HydrophobicContact CD2-CE2 3.99Å; F166-Y191 HydrophobicContact CG-CE2 4.18Å; F166-Y191 PolarHBondContact N-O 3.27Å; F166-Y191 PolarHBondContact O-N 2.93Å; F166-Y191 VanDerWaalsContact O-N 3.11Å; F166-K193 HydrophobicContact CE2-CB 4.09Å; F166-K193 HydrophobicContact CE2-CD 4.39Å; F166-K193 HydrophobicContact CE2-CG 4.29Å
167	I	80.3	Confident	66.4	Low	3 Å²	3	69.1 Å²	69.1	2%	0.015	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.6	177.4	-173.7	168.7	0	0	0	111.5	T45 P47 L89 L148 H155 G156 H188 V189	T45-I167 HydrophobicContact CG2-CD1 4.06Å; P47-I167 HydrophobicContact CG-CD1 4.18Å; L89-I167 HydrophobicContact CD2-CD1 3.57Å; L148-I167 HydrophobicContact CD2-CG2 3.55Å; H155-I167 WeakPolarHBondContact CA-O 3.05Å; G156-I167 PolarHBondContact N-O 3.44Å; G156-I167 PolarHBondContact O-N 2.88Å; I167-H188 HydrophobicContact CD1-CB 4.05Å; I167-H188 HydrophobicContact CG1-CB 3.97Å; I167-V189 WeakPolarHBondContact CA-O 3.32Å
168	E	77.9	Confident	64.8	Low	30 Å²	30	76.7 Å²	76.7	14%	0.14	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.2	174.8	56.6	164.3	-170.8	0	0	113	Q32 H155 H188 V189	Q32-E168 PolarHBondContact NE2-OE1 3.14Å; H155-E168 WeakPolarHBondContact ND1-CB 3.44Å; E168-H188 CarbonylContact O-C 3.42Å; E168-H188 WeakPolarHBondContact O-CA 3.32Å; E168-H188 VanDerWaalsContact O-CB 3.27Å; E168-H188 WeakPolarHBondContact O-CB 3.31Å; E168-V189 HydrophobicContact CG-CB 4.32Å; E168-V189 PolarHBondContact N-O 3.27Å; E168-V189 PolarHBondContact O-N 3.47Å
169	P	79.6	Confident	62.6	Low	19 Å²	19	85.4 Å²	85.4	12%	0.123	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	146.2	176.2	-19.5	33.3	0	0	0	112.8	Q32 V152 L154	Q32-P169 PolarHBondContact NE2-O 3.07Å; Q32-P169 PolarHBondContact OE1-O 3.14Å; V152-P169 WeakPolarHBondContact O-CG 3.33Å; L154-P169 WeakPolarHBondContact O-CD 3.13Å
170	L	77.2	Confident	61.2	Low	35 Å²	35	90.1 Å²	90.1	18%	0.183	45%	0.452	C	S	.	.			trans	-86.7	119.9	175.7	-176.4	69.5	0	0	0	111	L44 N172 H186 P187 V189	L44-L170 HydrophobicContact CD1-CD2 4.4Å; L44-L170 HydrophobicContact CD2-CD1 4.34Å; L44-L170 HydrophobicContact CD2-CD2 4.24Å; L170-N172 PolarHBondContact O-N 3.42Å; L170-H186 PolarHBondContact O-CE1 3.48Å; L170-H186 VanDerWaalsContact O-CE1 3.27Å; L170-P187 HydrophobicContact CB-CB 4.27Å; L170-P187 HydrophobicContact CB-CG 4.14Å; L170-P187 WeakPolarHBondContact CB-O 3.39Å; L170-P187 HydrophobicContact CD2-CB 4.04Å; L170-P187 HydrophobicContact CD2-CG 3.87Å; L170-P187 PolarHBondContact N-O 2.93Å; L170-V189 HydrophobicContact CB-CG2 4.43Å; L170-V189 HydrophobicContact CD1-CG2 3.75Å
171	K	68.7	Low	59.5	Low	138 Å²	138	91.9 Å²	91.9	60%	0.6	47%	0.465	S	S	*	.			trans	-82.6	107.8	-178.9	-62.9	170.1	-169.9	159.5	0	110.4	Q32	Q32-K171 HydrophobicContact CB-CD 4.3Å
172	N	55.5	Low	58.6	Low	88 Å²	88	93 Å²	93	47%	0.471	46%	0.464	S	S	.	.			trans	-70.9	133.8	172.6	-75.4	-3.8	0	0	0	111.4	L170 T174	L170-N172 PolarHBondContact O-N 3.42Å; N172-T174 PolarHBondContact O-N 2.03Å
173	T	45.1	Very low	57.7	Low	93 Å²	93	94.2 Å²	94.2	57%	0.571	47%	0.466	S	S	*	.			trans	-94.7	23	-174	33.5	0	0	0	0	114.5	E33	E33-T173 WeakPolarHBondContact OE1-CG2 3.3Å; E33-T173 PolarHBondContact OE1-OG1 2.89Å
174	T	38.7	Very low	56.7	Low	111 Å²	111	98.3 Å²	98.3	68%	0.681	49%	0.489	S	S	*	.			trans	-136.6	138.7	-178.6	44.6	0	0	0	0	112.8	N172 D176	N172-T174 PolarHBondContact O-N 2.03Å; T174-D176 PolarHBondContact O-N 3.06Å
175	E	38	Very low	56.2	Low	194 Å²	194	96.8 Å²	96.8	91%	0.907	49%	0.486	S	S	*	.	S	Bend	trans	-78.8	-8.6	-168.8	-66.3	-165.1	115.5	0	0	115.7	S177	E175-S177 VanDerWaalsContact C-N 3.26Å; E175-S177 PolarHBondContact O-N 3.28Å
176	D	39.3	Very low	55.9	Low	160 Å²	160	99.8 Å²	99.8	86%	0.856	50%	0.5	S	S	*	.			trans	-83.2	54.7	-171.8	-108.1	-38.6	0	0	0	114.3	T174	T174-D176 PolarHBondContact O-N 3.06Å
177	S	39.3	Very low	55.9	Low	85 Å²	85	98 Å²	98	59%	0.594	50%	0.495	S	S	*	.			trans	-97.8	20.3	-171.6	56.7	0	0	0	0	115.7	E175 H179	E175-S177 VanDerWaalsContact C-N 3.26Å; E175-S177 PolarHBondContact O-N 3.28Å; S177-H179 PolarHBondContact O-N 3.45Å
178	K	37.1	Very low	56.2	Low	201 Å²	201	98 Å²	98	87%	0.874	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.9	174.1	-76	-177.8	-179.9	170.4	0	115.1
179	H	38.9	Very low	56.5	Low	184 Å²	184	96.5 Å²	96.5	85%	0.852	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	19.7	-172.9	-95.2	-73	0	0	0	116.2	S177 S181	S177-H179 PolarHBondContact O-N 3.45Å; H179-S181 PolarHBondContact O-N 3.46Å
180	F	44.6	Very low	56.8	Low	128 Å²	128	95.6 Å²	95.6	56%	0.561	48%	0.482	S	S	*	.			trans	-71.9	112.3	165.8	-101.3	-90.9	0	0	0	110.5
181	S	42	Very low	57	Low	53 Å²	53	95.9 Å²	95.9	37%	0.371	48%	0.481	S	S	.	.			trans	-78.1	141.7	169.2	90	0	0	0	0	110.3	H179 E183	H179-S181 PolarHBondContact O-N 3.46Å; S181-E183 PolarHBondContact O-N 2.02Å; S181-E183 PolarHBondContact OG-OE2 3.17Å
182	Y	49.8	Very low	57.4	Low	159 Å²	159	92.2 Å²	92.2	62%	0.624	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	8.3	177.4	-76.8	-100	0	0	0	113.2	T60	T60-Y182 HydrophobicContact CG2-CD1 4.19Å; T60-Y182 HydrophobicContact CG2-CE1 4.21Å
183	E	49.3	Very low	57.6	Low	145 Å²	145	91 Å²	91	68%	0.678	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-16.3	-174.6	-59.9	170	132	0	0	113.1	F59 S181	F59-E183 WeakPolarHBondContact CD2-O 3.23Å; F59-E183 WeakPolarHBondContact CE2-O 3.43Å; S181-E183 PolarHBondContact O-N 2.02Å; S181-E183 PolarHBondContact OG-OE2 3.17Å
184	N	54.6	Low	58	Low	122 Å²	122	90.6 Å²	90.6	65%	0.652	46%	0.457	S	S	*	.	S	Bend	trans	-108.6	-13.4	-178.2	-68	-22.2	0	0	0	114.4
185	G	64.2	Low	58.4	Low	14 Å²	14	85.6 Å²	85.6	14%	0.144	43%	0.427	C	S	.	.			trans	79.4	168.3	178.7	0	0	0	0	0	116.5
186	H	74.4	Confident	58.7	Low	68 Å²	68	82.1 Å²	82.1	32%	0.315	41%	0.414	S	S	.	.			trans	-102.5	124.4	-178.2	-173.4	62.4	0	0	0	110.5	L170 H188	L170-H186 PolarHBondContact O-CE1 3.48Å; L170-H186 VanDerWaalsContact O-CE1 3.27Å; H186-H188 AromaticContact CD2-NE2 3.4Å; H186-H188 PolarHBondContact CD2-NE2 3.06Å; H186-H188 AromaticContact CG-NE2 3.84Å; H186-H188 PolarHBondContact O-CE1 2.98Å; H186-H188 PolarHBondContact O-ND1 2.85Å; H186-H188 PolarHBondContact O-NE2 2.87Å
187	P	79.3	Confident	58.6	Low	29 Å²	29	82.5 Å²	82.5	19%	0.188	41%	0.41	C	S	.	.			trans	-68.9	147.3	177.4	26.8	-32.6	0	0	0	112.1	L170	L170-P187 HydrophobicContact CB-CB 4.27Å; L170-P187 HydrophobicContact CB-CG 4.14Å; L170-P187 WeakPolarHBondContact CB-O 3.39Å; L170-P187 HydrophobicContact CD2-CB 4.04Å; L170-P187 HydrophobicContact CD2-CG 3.87Å; L170-P187 PolarHBondContact N-O 2.93Å
188	H	86.4	Confident	58.2	Low	1 Å²	1	83.5 Å²	83.5	1%	0.005	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.7	177.7	-68	65.3	0	0	0	109	L44 T45 P47 V61 L154 I167 E168 H186	L44-H188 CarbonylContact C-O 3.5Å; L44-H188 WeakPolarHBondContact CA-O 3.27Å; T45-H188 HydrophobicContact CG2-CB 4.22Å; T45-H188 PolarHBondContact N-O 2.98Å; T45-H188 PolarHBondContact O-N 2.92Å; P47-H188 WeakPolarHBondContact CD-CE1 3.41Å; P47-H188 VanDerWaalsContact CD-ND1 3.27Å; P47-H188 WeakPolarHBondContact CD-ND1 3.19Å; P47-H188 HydrophobicContact CG-CB 4.3Å; V61-H188 WeakPolarHBondContact CG2-NE2 3.49Å; L154-H188 PolarHBondContact O-CD2 3.1Å; L154-H188 VanDerWaalsContact O-CD2 3.23Å; I167-H188 HydrophobicContact CD1-CB 4.05Å; I167-H188 HydrophobicContact CG1-CB 3.97Å; E168-H188 CarbonylContact O-C 3.42Å; E168-H188 WeakPolarHBondContact O-CA 3.32Å; E168-H188 VanDerWaalsContact O-CB 3.27Å; E168-H188 WeakPolarHBondContact O-CB 3.31Å; H186-H188 AromaticContact CD2-NE2 3.4Å; H186-H188 PolarHBondContact CD2-NE2 3.06Å; H186-H188 AromaticContact CG-NE2 3.84Å; H186-H188 PolarHBondContact O-CE1 2.98Å; H186-H188 PolarHBondContact O-ND1 2.85Å; H186-H188 PolarHBondContact O-NE2 2.87Å
189	V	85.1	Confident	57.8	Low	0 Å²	0	82.8 Å²	82.8	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	141.5	170.3	-164.9	0	0	0	0	108.7	L36 Y42 L44 I167 E168 L170 Y191	L36-V189 HydrophobicContact CD1-CG1 4.19Å; L36-V189 HydrophobicContact CD1-CG2 3.98Å; L36-V189 HydrophobicContact CD2-CG1 3.67Å; L36-V189 HydrophobicContact CD2-CG2 4.46Å; Y42-V189 HydrophobicContact CD2-CG1 3.94Å; Y42-V189 HydrophobicContact CG-CG1 4.42Å; L44-V189 HydrophobicContact CD2-CB 4.4Å; L44-V189 HydrophobicContact CD2-CG1 4.47Å; L44-V189 HydrophobicContact CD2-CG2 3.95Å; I167-V189 WeakPolarHBondContact CA-O 3.32Å; E168-V189 HydrophobicContact CG-CB 4.32Å; E168-V189 PolarHBondContact N-O 3.27Å; E168-V189 PolarHBondContact O-N 3.47Å; L170-V189 HydrophobicContact CB-CG2 4.43Å; L170-V189 HydrophobicContact CD1-CG2 3.75Å; V189-Y191 HydrophobicContact CG1-CD1 4.4Å
190	I	86.3	Confident	57.1	Low	0 Å²	0	78.8 Å²	78.8	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.6	172.9	179.6	161.7	0	0	0	110.6	Q43 T45 L89 A91 F166	Q43-I190 HydrophobicContact CB-CG2 4.3Å; Q43-I190 PolarHBondContact N-O 3.14Å; Q43-I190 PolarHBondContact O-N 3.3Å; T45-I190 HydrophobicContact CG2-CB 4.48Å; T45-I190 HydrophobicContact CG2-CG2 3.89Å; L89-I190 HydrophobicContact CD1-CD1 3.92Å; A91-I190 HydrophobicContact CB-CD1 3.89Å; A91-I190 HydrophobicContact CB-CG1 4.25Å; A91-I190 HydrophobicContact CB-CG2 3.54Å; F166-I190 VanDerWaalsContact O-CA 3.24Å; F166-I190 WeakPolarHBondContact O-CA 3.49Å; F166-I190 WeakPolarHBondContact O-CG1 3.49Å
191	Y	81	Confident	56.2	Low	41 Å²	41	76.2 Å²	76.2	16%	0.161	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.7	-175.1	62.5	-91.1	0	0	0	113.7	F35 L39 Y92 Y165 F166 V189	F35-Y191 HydrophobicContact CE1-CE1 4.03Å; F35-Y191 HydrophobicContact CZ-CE1 4.29Å; F35-Y191 HydrophobicContact CZ-CE2 4.41Å; F35-Y191 AromaticContact CZ-CZ 3.94Å; L39-Y191 HydrophobicContact CD1-CD1 3.91Å; L39-Y191 HydrophobicContact CD1-CD2 4.08Å; L39-Y191 HydrophobicContact CD1-CE1 4.46Å; L39-Y191 HydrophobicContact CD1-CG 3.7Å; L39-Y191 HydrophobicContact CD2-CD2 3.98Å; L39-Y191 HydrophobicContact CD2-CE2 4.36Å; L39-Y191 HydrophobicContact CD2-CG 4.43Å; Y92-Y191 WeakPolarHBondContact OH-CA 3.49Å; Y165-Y191 WeakPolarHBondContact CA-O 3.36Å; F166-Y191 HydrophobicContact CB-CD2 4.39Å; F166-Y191 HydrophobicContact CB-CE1 4.06Å; F166-Y191 HydrophobicContact CB-CE2 3.9Å; F166-Y191 HydrophobicContact CD2-CD2 4.45Å; F166-Y191 AromaticContact CD2-CE2 3.99Å; F166-Y191 HydrophobicContact CD2-CE2 3.99Å; F166-Y191 HydrophobicContact CG-CE2 4.18Å; F166-Y191 PolarHBondContact N-O 3.27Å; F166-Y191 PolarHBondContact O-N 2.93Å; F166-Y191 VanDerWaalsContact O-N 3.11Å; V189-Y191 HydrophobicContact CG1-CD1 4.4Å
192	K	75.8	Confident	55.9	Low	61 Å²	61	75.5 Å²	75.5	27%	0.265	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.2	179.4	-72.1	-177.9	159.5	-139.3	0	112.2	Y92 E163 Y165 S194	Y92-K192 HydrophobicContact CE1-CD 4.32Å; Y92-K192 HydrophobicContact CE1-CG 4.34Å; Y92-K192 HydrophobicContact CE2-CG 4.27Å; E163-K192 HydrophobicContact CG-CD 4.16Å; E163-K192 HydrophobicContact CG-CG 3.96Å; E163-K192 VanDerWaalsContact OE2-CD 3.32Å; E163-K192 WeakPolarHBondContact OE2-CD 3.48Å; E163-K192 VanDerWaalsContact OE2-CE 3.24Å; E163-K192 WeakPolarHBondContact OE2-CE 3.31Å; E163-K192 IonicContact OE2-NZ 2.77Å; E163-K192 PolarHBondContact OE2-NZ 3.47Å; Y165-K192 HydrophobicContact CD1-CG 4.3Å; Y165-K192 HydrophobicContact CE1-CG 4.14Å; K192-S194 PolarHBondContact O-N 3.17Å
193	K	59.7	Low	55.1	Low	61 Å²	61	71.1 Å²	71.1	27%	0.265	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.6	175	-170.1	167.1	178.6	174.5	0	114.8	E164 F166 A195 L531	E164-K193 HydrophobicContact CB-CB 4.29Å; E164-K193 HydrophobicContact CB-CD 4.04Å; E164-K193 VanDerWaalsContact CD-CD 3.49Å; E164-K193 HydrophobicContact CG-CD 4.34Å; E164-K193 PolarHBondContact O-N 2.92Å; E164-K193 IonicContact OE1-NZ 3.13Å; E164-K193 PolarHBondContact OE1-NZ 3.07Å; E164-K193 VanDerWaalsContact OE2-CD 3.25Å; E164-K193 WeakPolarHBondContact OE2-CD 3.47Å; E164-K193 WeakPolarHBondContact OE2-CE 3.48Å; E164-K193 IonicContact OE2-NZ 2.76Å; E164-K193 PolarHBondContact OE2-NZ 2.84Å; F166-K193 HydrophobicContact CE2-CB 4.09Å; F166-K193 HydrophobicContact CE2-CD 4.39Å; F166-K193 HydrophobicContact CE2-CG 4.29Å; K193-A195 VanDerWaalsContact C-N 3.25Å; K193-A195 PolarHBondContact O-N 3.48Å; K193-A195 VanDerWaalsContact O-N 3.14Å; K193-L531 VanDerWaalsContact CE-CD1 3.42Å; K193-L531 VanDerWaalsContact NZ-CD1 3.29Å
194	S	54.8	Low	54.4	Low	85 Å²	85	70.2 Å²	70.2	59%	0.594	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	4.3	-169.3	67.9	0	0	0	0	116.5	K192	K192-S194 PolarHBondContact O-N 3.17Å
195	A	46	Very low	53.5	Low	7 Å²	7	66.6 Å²	66.6	6%	0.058	33%	0.327	C	S	.	.			trans	-109.7	31	-159.7	0	0	0	0	0	115.9	E40 K193	E40-A195 HydrophobicContact CB-CB 4.17Å; E40-A195 HydrophobicContact CG-CB 4.47Å; K193-A195 VanDerWaalsContact C-N 3.25Å; K193-A195 PolarHBondContact O-N 3.48Å; K193-A195 VanDerWaalsContact O-N 3.14Å
196	L	44.4	Very low	52.4	Low	121 Å²	121	71.3 Å²	71.3	63%	0.634	35%	0.345	S	S	*	.			trans	-139.2	138.6	-168.1	-58.1	170.5	0	0	0	113.7	L39	L39-L196 HydrophobicContact CD2-CD2 4.08Å
197	Q	38.1	Very low	50.8	Low	167 Å²	167	69.2 Å²	69.2	78%	0.78	34%	0.338	S	S	*	.			trans	-144	178.2	-177.1	-67	-162.3	9.5	0	0	117.6	R499	Q197-R499 PolarHBondContact O-NH1 3.44Å
198	Q	30.9	Very low	48.7	Very low	106 Å²	106	68.7 Å²	68.7	50%	0.495	34%	0.338	S	S	.	.			trans	-124	173.6	-137.2	-53.9	170.2	-149.8	0	0	120.8	K502	Q198-K502 VanDerWaalsContact OE1-CE 3.31Å
199	R	27.4	Very low	46.1	Very low	186 Å²	186	70.5 Å²	70.5	70%	0.702	35%	0.349	S	S	*	.			trans	156.5	128.1	138.6	-84.7	170.6	168.3	178.9	-1.9	121.1	L513	R199-L513 WeakPolarHBondContact O-CD1 3.33Å
200	H	25.4	Very low	43.4	Very low	100 Å²	100	72.7 Å²	72.7	46%	0.463	36%	0.364	S	S	.	.			trans	60.9	0	138.7	-59	-41.6	0	0	0	130.2	L513 N517 C519	H200-L513 WeakPolarHBondContact O-CD2 3.45Å; H200-N517 CarbonylContact C-O 3.52Å; H200-N517 CarbonylContact O-C 3.49Å; H200-C519 VanDerWaalsContact CA-SG 3.55Å
201	L	26.2	Very low	40.6	Very low	74 Å²	74	78.1 Å²	78.1	39%	0.387	39%	0.393	S	S	.	.				0	119.8	0	-69.7	157.6	0	0	0	119.6	Y503 N517 R518 C519	L201-Y503 HydrophobicContact CD2-CD2 4.45Å; L201-N517 PolarHBondContact N-O 3.46Å; L201-R518 VanDerWaalsContact C-C 3.48Å; L201-R518 WeakPolarHBondContact O-CA 3.34Å; L201-R518 WeakPolarHBondContact O-CB 3.5Å; L201-R518 VanDerWaalsContact O-CG 3.3Å; L201-R518 WeakPolarHBondContact O-CG 3.39Å; L201-R518 PolarHBondContact O-NE 2.69Å; L201-C519 WeakPolarHBondContact CA-SG 3.35Å; L201-C519 PolarHBondContact N-SG 2.86Å
202	Y	34.6	Very low	38.1	Very low	39 Å²	39	86.6 Å²	86.6	15%	0.153	43%	0.431	C	S	.	.			trans	122	139	171.9	-19.4	-88.6	0	0	0	117.9	Y503 W511 R518 C519 V520	Y202-Y503 HydrophobicContact CE1-CD1 4.19Å; Y202-Y503 AromaticContact CE1-CE1 4Å; Y202-Y503 HydrophobicContact CE1-CE1 4Å; Y202-Y503 HydrophobicContact CE2-CE2 4.32Å; Y202-Y503 AromaticContact CZ-CD1 3.98Å; Y202-Y503 AromaticContact CZ-CD2 3.98Å; Y202-Y503 AromaticContact CZ-CE1 3.88Å; Y202-Y503 AromaticContact CZ-CE2 3.86Å; Y202-Y503 AromaticContact CZ-CZ 3.8Å; Y202-Y503 WeakPolarHBondContact OH-CB 3.47Å; Y202-Y503 WeakPolarHBondContact OH-CD1 3.48Å; Y202-Y503 WeakPolarHBondContact OH-CD2 3.49Å; Y202-Y503 WeakPolarHBondContact OH-CE1 3.32Å; Y202-Y503 WeakPolarHBondContact OH-CE2 3.34Å; Y202-W511 AromaticContact CD1-CE3 3.87Å; Y202-W511 HydrophobicContact CD1-CE3 3.87Å; Y202-W511 AromaticContact CD1-CH2 3.59Å; Y202-W511 HydrophobicContact CD1-CH2 3.59Å; Y202-W511 AromaticContact CD1-CZ3 3.22Å; Y202-W511 HydrophobicContact CD1-CZ3 3.22Å; Y202-W511 HydrophobicContact CE1-CD2 4.02Å; Y202-W511 AromaticContact CE1-CE3 3.49Å; Y202-W511 HydrophobicContact CE1-CE3 3.49Å; Y202-W511 VanDerWaalsContact CE1-CE3 3.49Å; Y202-W511 AromaticContact CE1-CH2 3.51Å; Y202-W511 HydrophobicContact CE1-CH2 3.51Å; Y202-W511 HydrophobicContact CE1-CZ2 4.03Å; Y202-W511 AromaticContact CE1-CZ3 3.24Å; Y202-W511 HydrophobicContact CE1-CZ3 3.24Å; Y202-R518 CarbonylContact O-C 3.56Å; Y202-R518 VanDerWaalsContact O-CB 3.22Å; Y202-R518 WeakPolarHBondContact O-CB 3.29Å; Y202-C519 CarbonylContact C-O 3.6Å; Y202-C519 WeakPolarHBondContact CA-O 3.45Å; Y202-C519 VanDerWaalsContact N-C 3.34Å; Y202-C519 PolarHBondContact N-O 3.21Å; Y202-C519 CarbonylContact O-C 3.52Å; Y202-C519 PolarHBondContact O-N 2.81Å; Y202-C519 VanDerWaalsContact O-O 3.08Å; Y202-V520 WeakPolarHBondContact O-CA 3.46Å; Y202-V520 VanDerWaalsContact O-CG1 3.25Å; Y202-V520 WeakPolarHBondContact O-CG1 3.11Å; Y202-V520 PolarHBondContact O-N 2.91Å
203	D	32.3	Very low	35.7	Very low	66 Å²	66	88.8 Å²	88.8	35%	0.353	45%	0.45	S	S	.	.			cis	-157.4	-148.8	11	-70	-65.9	0	0	0	116	R518 V520 T521	D203-R518 IonicContact OD1-NH2 2.87Å; D203-R518 IonicContact OD2-CZ 3.7Å; D203-R518 VanDerWaalsContact OD2-CZ 3.25Å; D203-R518 IonicContact OD2-NH1 2.78Å; D203-R518 IonicContact OD2-NH2 3.44Å; D203-R518 PolarHBondContact OD2-NH2 3.09Å; D203-V520 VanDerWaalsContact N-CG1 3.34Å; D203-V520 CarbonylContact O-C 3.56Å; D203-V520 WeakPolarHBondContact O-CA 3.5Å; D203-V520 WeakPolarHBondContact O-CB 3.08Å; D203-T521 PolarHBondContact O-N 3.26Å
204	H	35.5	Very low	34	Very low	127 Å²	127	97.7 Å²	97.7	59%	0.588	48%	0.481	S	S	*	.			trans	-136.2	0	-151.4	-40.1	83.9	0	0	0	124.2	W511 T521	H204-W511 AromaticContact NE2-CH2 3.59Å; H204-T521 WeakPolarHBondContact CA-O 3.17Å
205	S	35	Very low	32.5	Very low	46 Å²	46	99.4 Å²	99.4	32%	0.322	49%	0.493	S	S	.	.				0	-172.8	0	69.8	0	0	0	0	123.2	N522	S205-N522 WeakPolarHBondContact OG-CA 3.33Å; S205-N522 WeakPolarHBondContact OG-CB 3.05Å; S205-N522 VanDerWaalsContact OG-CG 3.25Å; S205-N522 PolarHBondContact OG-OD1 3.02Å
206	H	42.4	Very low	31.8	Very low	113 Å²	113	102.6 Å²	102.6	52%	0.523	53%	0.527	S	S	.	.			trans	-151.7	175.2	-166.8	-72.1	-54.4	0	0	0	122.1	G370 L372	H206-G370 CarbonylContact C-O 2.96Å; H206-G370 CarbonylContact O-C 3.55Å; H206-L372 WeakPolarHBondContact O-CD1 3.25Å; H206-L372 WeakPolarHBondContact O-CG 3.4Å
207	C	40.4	Very low	30.8	Very low	23 Å²	23	105.5 Å²	105.5	16%	0.155	54%	0.535	C	S	.	.			trans	-137.9	170.8	177.1	-61.2	0	0	0	0	116.8	G370 L372	C207-G370 CarbonylContact C-O 3.59Å; C207-G370 VanDerWaalsContact CA-O 3.29Å; C207-G370 WeakPolarHBondContact CA-O 3.44Å; C207-G370 PolarHBondContact N-O 3.29Å; C207-L372 WeakPolarHBondContact SG-CD1 2.76Å
208	G	35.4	Very low	30.2	Very low	18 Å²	18	101.1 Å²	101.1	19%	0.186	52%	0.521	C	S	.	.			trans	-177	172.7	175.4	0	0	0	0	0	119.1
209	V	31.5	Very low	29.9	Very low	40 Å²	40	107 Å²	107	24%	0.242	54%	0.539	C	S	.	.			trans	-122.9	154.2	-172.5	170.4	0	0	0	0	113.5	H407 H413	V209-H407 WeakPolarHBondContact CG2-NE2 3.25Å; V209-H413 WeakPolarHBondContact CG2-CE1 3.42Å; V209-H413 WeakPolarHBondContact CG2-NE2 3.13Å
210	S	28.7	Very low	29.9	Very low	45 Å²	45	103.9 Å²	103.9	32%	0.315	53%	0.527	S	S	.	.			trans	-96.2	114	178	54	0	0	0	0	113.6	L374	S210-L374 VanDerWaalsContact N-CD1 3.31Å
211	D	28.1	Very low	29.8	Very low	114 Å²	114	101.9 Å²	101.9	61%	0.61	52%	0.519	S	S	*	.			trans	-147.6	148.8	169.2	-127.7	-29.6	0	0	0	110	T213 Y364	D211-T213 HydrophobicContact CB-CG2 4.25Å; D211-T213 PolarHBondContact O-N 2.83Å; D211-Y364 PolarHBondContact O-OH 3.12Å
212	F	27.2	Very low	29.8	Very low	220 Å²	220	103.1 Å²	103.1	97%	0.965	53%	0.526	S	S	*	.			trans	-76.7	62.5	-173.3	-91	-91.9	0	0	0	113.3	R214	F212-R214 PolarHBondContact O-N 3.33Å
213	T	25.2	Very low	29.3	Very low	106 Å²	106	103 Å²	103	65%	0.65	53%	0.528	S	S	*	.			trans	-87.3	99.8	-172.6	60.6	0	0	0	0	114.2	D211	D211-T213 HydrophobicContact CB-CG2 4.25Å; D211-T213 PolarHBondContact O-N 2.83Å
214	R	23.5	Very low	28.9	Very low	248 Å²	248	106.8 Å²	106.8	94%	0.936	55%	0.554	S	S	*	*			trans	-149.1	53.7	156.8	-154.4	-166.6	160.7	178.3	-6.6	116.3	F212	F212-R214 PolarHBondContact O-N 3.33Å
215	S	24	Very low	28.4	Very low	121 Å²	121	104.1 Å²	104.1	85%	0.846	55%	0.549	S	S	*	.	S	Bend	trans	-165.8	132.7	141.7	-165.6	0	0	0	0	109.7
216	G	31.3	Very low	27.8	Very low	74 Å²	74	108 Å²	108	76%	0.763	57%	0.572	S	S	*	*			trans	-82.3	123.3	-172.4	0	0	0	0	0	113.9
217	K	23.9	Very low	26.9	Very low	183 Å²	183	112.7 Å²	112.7	80%	0.796	59%	0.591	S	S	*	*			trans	-161.7	162.7	151.6	-106.9	166.9	-171.9	-176.5	0	109.4
218	P	25.1	Very low	25.9	Very low	75 Å²	75	117.2 Å²	117.2	49%	0.487	62%	0.623	S	S	.	*			trans	-63.8	162.9	-178.7	-22.2	34.5	0	0	0	113.9	W220	P218-W220 HydrophobicContact CB-CD2 4.4Å; P218-W220 HydrophobicContact CB-CZ2 3.82Å; P218-W220 HydrophobicContact CG-CZ2 4.33Å; P218-W220 PolarHBondContact O-N 3.42Å
219	W	25.3	Very low	25.3	Very low	229 Å²	229	124.5 Å²	124.5	87%	0.867	65%	0.646	S	S	*	*	S	Bend	trans	-60.8	-8.6	-164.4	56.4	-86.6	0	0	0	117.4	L221	W219-L221 VanDerWaalsContact C-N 3.34Å; W219-L221 PolarHBondContact O-N 3.02Å; W219-L221 VanDerWaalsContact O-N 3.11Å
220	W	26.2	Very low	24.9	Very low	120 Å²	120	128.1 Å²	128.1	46%	0.455	67%	0.673	S	S	.	*			trans	-80	77.9	165.4	37.2	78.4	0	0	0	110.8	P218 M630	P218-W220 HydrophobicContact CB-CD2 4.4Å; P218-W220 HydrophobicContact CB-CZ2 3.82Å; P218-W220 HydrophobicContact CG-CZ2 4.33Å; P218-W220 PolarHBondContact O-N 3.42Å; W220-M630 HydrophobicContact CB-SD 4.39Å
221	L	24.4	Very low	24.7	Very low	58 Å²	58	133.2 Å²	133.2	30%	0.304	70%	0.696	S	S	.	*			trans	-177.2	119.1	156.9	-100.9	158	0	0	0	113.3	W219 P631 G634	W219-L221 VanDerWaalsContact C-N 3.34Å; W219-L221 PolarHBondContact O-N 3.02Å; W219-L221 VanDerWaalsContact O-N 3.11Å; L221-P631 HydrophobicContact CD1-CG 4.22Å; L221-P631 WeakPolarHBondContact CD2-O 3.33Å; L221-P631 WeakPolarHBondContact CG-O 3.27Å; L221-G634 VanDerWaalsContact CD2-N 3.31Å
222	N	25.4	Very low	24.7	Very low	101 Å²	101	133.7 Å²	133.7	54%	0.54	71%	0.705	S	S	.	*			trans	79.2	154.2	162.9	-46.9	-15.4	0	0	0	117.9	R633	N222-R633 HydrophobicContact CB-CG 4.37Å; N222-R633 WeakPolarHBondContact OD1-CA 3.39Å; N222-R633 WeakPolarHBondContact OD1-CG 3.37Å; N222-R633 PolarHBondContact OD1-N 3.35Å
223	D	23.5	Very low	24.7	Very low	36 Å²	36	130.8 Å²	130.8	19%	0.193	70%	0.698	C	S	.	*			cis	154.7	104.9	-35.5	175.6	-18.2	0	0	0	108.2	S225 F632 R633	D223-S225 PolarHBondContact OD1-N 3.31Å; D223-S225 VanDerWaalsContact OD1-N 3.16Å; D223-F632 HydrophobicContact CB-CE1 4.32Å; D223-F632 HydrophobicContact CB-CE2 3.98Å; D223-F632 HydrophobicContact CB-CZ 3.57Å; D223-F632 VanDerWaalsContact CG-CZ 3.48Å; D223-F632 WeakPolarHBondContact OD2-CE1 3.16Å; D223-F632 WeakPolarHBondContact OD2-CZ 3.46Å; D223-R633 HydrophobicContact CB-CG 4.34Å; D223-R633 VanDerWaalsContact CG-NH2 3.28Å; D223-R633 PolarHBondContact O-NH2 2.83Å; D223-R633 IonicContact OD1-CZ 3.26Å; D223-R633 VanDerWaalsContact OD1-CZ 3.23Å; D223-R633 IonicContact OD1-NE 2.67Å; D223-R633 IonicContact OD1-NH1 3.84Å; D223-R633 PolarHBondContact OD1-NH1 3.14Å; D223-R633 VanDerWaalsContact OD1-NH1 3.17Å; D223-R633 IonicContact OD1-NH2 2.77Å; D223-R633 PolarHBondContact OD1-NH2 2.94Å; D223-R633 VanDerWaalsContact OD1-NH2 3.13Å; D223-R633 VanDerWaalsContact OD2-CD 3.24Å; D223-R633 WeakPolarHBondContact OD2-CD 3.18Å; D223-R633 IonicContact OD2-CZ 2.7Å; D223-R633 IonicContact OD2-NE 3.62Å; D223-R633 PolarHBondContact OD2-NE 2.89Å; D223-R633 VanDerWaalsContact OD2-NE 3.07Å; D223-R633 IonicContact OD2-NH1 3.86Å; D223-R633 PolarHBondContact OD2-NH1 3.28Å; D223-R633 IonicContact OD2-NH2 2.6Å
224	T	25.3	Very low	24.8	Very low	146 Å²	146	133.3 Å²	133.3	90%	0.896	71%	0.708	S	S	*	*			trans	-113.2	57.9	-178.4	44.6	0	0	0	0	113.1	T226	T224-T226 PolarHBondContact O-N 2.03Å; T224-T226 VanDerWaalsContact O-N 3.09Å
225	S	24.3	Very low	24.9	Very low	70 Å²	70	127.1 Å²	127.1	49%	0.49	69%	0.693	S	S	.	*			trans	-63.8	94.9	166.8	60.2	0	0	0	0	113.7	D223 R633	D223-S225 PolarHBondContact OD1-N 3.31Å; D223-S225 VanDerWaalsContact OD1-N 3.16Å; S225-R633 PolarHBondContact OG-NH1 3.46Å; S225-R633 PolarHBondContact OG-NH2 3.38Å
226	T	22.6	Very low	25.1	Very low	129 Å²	129	127.9 Å²	127.9	79%	0.791	69%	0.693	S	S	*	*			trans	167.5	109.3	137.1	46.6	0	0	0	0	112.7	T224	T224-T226 PolarHBondContact O-N 2.03Å; T224-T226 VanDerWaalsContact O-N 3.09Å
227	F	23.1	Very low	24.9	Very low	210 Å²	210	131.1 Å²	131.1	92%	0.921	69%	0.688	S	S	*	*			trans	-144.9	147.4	154.8	-100.3	-79.1	0	0	0	110.7
228	S	20.9	Very low	25.2	Very low	118 Å²	118	130.1 Å²	130.1	83%	0.825	69%	0.691	S	S	*	*			trans	-90.9	141.7	-173.4	-57.6	0	0	0	0	112
229	Y	21.7	Very low	25.4	Very low	172 Å²	172	135.4 Å²	135.4	68%	0.675	71%	0.709	S	S	*	*			trans	-70.3	136.2	179	-73.7	-99.4	0	0	0	112.9	G645	Y229-G645 PolarHBondContact OH-O 3.16Å
230	S	22.5	Very low	25.8	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	71%	0.707	S	S	*	*			trans	-127.7	134	149.8	53.4	0	0	0	0	108.5
231	L	25.7	Very low	26.5	Very low	152 Å²	152	137.3 Å²	137.3	80%	0.796	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-93.4	131.5	-171.7	-72	162.8	0	0	0	111.2
232	P	27.6	Very low	27.5	Very low	124 Å²	124	138 Å²	138	81%	0.805	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-72.8	137.1	160.9	-13	29.3	0	0	0	110.6
233	I	26.7	Very low	28.7	Very low	159 Å²	159	140.1 Å²	140.1	82%	0.815	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-85.2	151.5	172.1	-70.5	172.4	0	0	0	109.7	N235	I233-N235 PolarHBondContact O-N 3.35Å
234	N	28.3	Very low	30.3	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	73%	0.729	S	S	*	*			trans	-34.5	127.8	174.9	-76.2	-19.2	0	0	0	114.1
235	N	24.9	Very low	32.4	Very low	118 Å²	118	133.7 Å²	133.7	63%	0.631	69%	0.686	S	S	*	*			trans	-145.9	127.6	152.4	-151.3	8.1	0	0	0	110.9	I233 H237	I233-N235 PolarHBondContact O-N 3.35Å; N235-H237 PolarHBondContact O-N 2.98Å
236	T	28	Very low	34.8	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	67%	0.669	S	S	*	*			trans	-89.2	101.7	-172.9	48.5	0	0	0	0	111
237	H	28.6	Very low	37.7	Very low	143 Å²	143	125.5 Å²	125.5	66%	0.662	63%	0.633	S	S	*	*			trans	-116.4	140.1	170.5	-77.4	-78.3	0	0	0	111.7	N235 H239	N235-H237 PolarHBondContact O-N 2.98Å; H237-H239 PolarHBondContact O-N 3.45Å; H237-H239 VanDerWaalsContact O-N 3.11Å
238	N	29.1	Very low	40.5	Very low	161 Å²	161	118.9 Å²	118.9	86%	0.861	61%	0.606	S	S	*	*			trans	-64.4	109.9	178	-78.3	-26.5	0	0	0	110.7	H240	N238-H240 PolarHBondContact O-N 3.32Å
239	H	30.4	Very low	43.6	Very low	186 Å²	186	116.5 Å²	116.5	86%	0.861	58%	0.582	S	S	*	*			trans	-67.7	97.1	170.7	-71.1	-71.4	0	0	0	110.8	H237 R241	H237-H239 PolarHBondContact O-N 3.45Å; H237-H239 VanDerWaalsContact O-N 3.11Å; H239-R241 PolarHBondContact O-N 2.81Å; H239-R241 VanDerWaalsContact O-N 3.11Å
240	H	33.5	Very low	46.6	Very low	181 Å²	181	109.6 Å²	109.6	84%	0.838	56%	0.555	S	S	*	*			trans	-57.7	115	155.6	-86.8	-75.2	0	0	0	108.2	N238 Q242	N238-H240 PolarHBondContact O-N 3.32Å; H240-Q242 PolarHBondContact O-N 2.82Å
241	R	40.9	Very low	49.6	Very low	208 Å²	208	105.2 Å²	105.2	79%	0.785	52%	0.521	S	S	*	.			trans	-60.2	99.5	176.4	-80.1	180	167	172.7	-2.3	109.6	H239 K243	H239-R241 PolarHBondContact O-N 2.81Å; H239-R241 VanDerWaalsContact O-N 3.11Å; R241-K243 PolarHBondContact O-N 2.83Å
242	Q	45.7	Very low	52.6	Low	74 Å²	74	98 Å²	98	35%	0.346	48%	0.483	S	S	.	.			trans	-57.9	126.9	170.8	-82	176.4	-37	0	0	109.7	H240 R244 D465	H240-Q242 PolarHBondContact O-N 2.82Å; Q242-R244 PolarHBondContact O-N 2.94Å; Q242-D465 PolarHBondContact NE2-OD2 2.81Å
243	K	49.5	Very low	55.3	Low	144 Å²	144	92.9 Å²	92.9	63%	0.626	45%	0.449	S	S	*	.			trans	-84.9	94.4	174.3	-70.1	-170.6	163.8	-162	0	109.4	R241 V246 E600	R241-K243 PolarHBondContact O-N 2.83Å; K243-V246 HydrophobicContact CB-CB 4.39Å; K243-V246 HydrophobicContact CB-CG2 3.39Å; K243-V246 HydrophobicContact CD-CG2 4.04Å; K243-V246 HydrophobicContact CG-CG2 4.4Å; K243-V246 WeakPolarHBondContact O-CG2 3.44Å; K243-V246 PolarHBondContact O-N 2.8Å; K243-E600 IonicContact NZ-OE1 2.72Å; K243-E600 PolarHBondContact NZ-OE1 2.72Å
244	R	57.6	Low	58.2	Low	48 Å²	48	85.3 Å²	85.3	18%	0.181	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	150.1	168	-67.5	178.9	178.4	-134.1	-5.6	110.8	Q242 V246 D457 S458 N685 E687	Q242-R244 PolarHBondContact O-N 2.94Å; R244-V246 PolarHBondContact O-N 2.81Å; R244-D457 WeakPolarHBondContact CD-O 3.21Å; R244-D457 WeakPolarHBondContact CG-O 3.31Å; R244-D457 PolarHBondContact NH1-O 2.86Å; R244-S458 VanDerWaalsContact CZ-C 3.42Å; R244-S458 VanDerWaalsContact CZ-O 3.22Å; R244-S458 VanDerWaalsContact NH1-CA 3.33Å; R244-S458 PolarHBondContact NH1-O 3.21Å; R244-S458 PolarHBondContact NH2-O 3.06Å; R244-N685 PolarHBondContact NH1-O 3.47Å; R244-E687 IonicContact CZ-OE1 3.45Å; R244-E687 IonicContact NE-OE1 3.64Å; R244-E687 PolarHBondContact NE-OE1 3.01Å; R244-E687 IonicContact NE-OE2 2.69Å; R244-E687 PolarHBondContact NE-OE2 3.38Å; R244-E687 IonicContact NH2-OE1 3.96Å; R244-E687 PolarHBondContact NH2-OE1 3.01Å
245	S	68.9	Low	61.1	Low	0 Å²	0	77.7 Å²	77.7	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	29.3	-174.7	-56.7	0	0	0	0	115.3	D457 R601	S245-D457 WeakPolarHBondContact CA-OD1 3.46Å; S245-D457 WeakPolarHBondContact CA-OD2 3.47Å; S245-D457 WeakPolarHBondContact CB-OD2 3.15Å; S245-D457 PolarHBondContact N-OD1 3.09Å; S245-D457 VanDerWaalsContact N-OD1 3.11Å; S245-D457 PolarHBondContact OG-OD2 3.17Å; S245-R601 WeakPolarHBondContact O-CG 3.42Å; S245-R601 PolarHBondContact O-N 3.01Å
246	V	75.5	Confident	64.3	Low	24 Å²	24	72.1 Å²	72.1	15%	0.145	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.8	158.6	-171.5	0	0	0	0	107.8	K243 R244 I248 E600	K243-V246 HydrophobicContact CB-CB 4.39Å; K243-V246 HydrophobicContact CB-CG2 3.39Å; K243-V246 HydrophobicContact CD-CG2 4.04Å; K243-V246 HydrophobicContact CG-CG2 4.4Å; K243-V246 WeakPolarHBondContact O-CG2 3.44Å; K243-V246 PolarHBondContact O-N 2.8Å; R244-V246 PolarHBondContact O-N 2.81Å; V246-I248 HydrophobicContact CB-CG2 4.3Å; V246-I248 HydrophobicContact CG1-CG2 3.64Å; V246-I248 PolarHBondContact O-N 3.37Å; V246-E600 HydrophobicContact CG2-CG 3.67Å
247	S	82.3	Confident	67.4	Low	3 Å²	3	65.6 Å²	65.6	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	112.5	166	-174.6	0	0	0	0	108	C597 L598 G599	S247-C597 WeakPolarHBondContact CB-O 3.2Å; S247-C597 PolarHBondContact OG-O 3.03Å; S247-L598 CarbonylContact O-C 3.58Å; S247-L598 WeakPolarHBondContact O-CA 3.43Å; S247-G599 PolarHBondContact N-O 2.97Å; S247-G599 PolarHBondContact O-N 2.79Å
248	I	83.1	Confident	70.5	Confident	71 Å²	71	58.8 Å²	58.8	36%	0.364	27%	0.268	S	S	.	.			trans	-129.5	153.9	174.5	57.8	177.4	0	0	0	108.5	V246 R250	V246-I248 HydrophobicContact CB-CG2 4.3Å; V246-I248 HydrophobicContact CG1-CG2 3.64Å; V246-I248 PolarHBondContact O-N 3.37Å; I248-R250 PolarHBondContact O-N 3.42Å
249	E	84.4	Confident	73.5	Confident	68 Å²	68	51.3 Å²	51.3	32%	0.318	23%	0.228	S	C	.	.			trans	-63.5	132.6	179.6	-55.1	-162.7	147.5	0	0	110.3	F251 V294 L598	E249-F251 HydrophobicContact CB-CE2 4.08Å; E249-F251 HydrophobicContact CB-CZ 3.94Å; E249-V294 HydrophobicContact CB-CG1 4.19Å; E249-V294 HydrophobicContact CG-CB 4.32Å; E249-V294 HydrophobicContact CG-CG1 3.81Å; E249-L598 HydrophobicContact CG-CD1 3.88Å; E249-L598 HydrophobicContact CG-CD2 3.89Å
250	R	86.2	Confident	76.4	Confident	26 Å²	26	45.2 Å²	45.2	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.7	175.4	-57.8	-47.4	-164.9	170.3	11.4	109.7	I248 V294 V295 N296 L456 L464 D465	I248-R250 PolarHBondContact O-N 3.42Å; R250-V294 PolarHBondContact N-O 2.76Å; R250-V295 HydrophobicContact CB-CG2 4.33Å; R250-N296 WeakPolarHBondContact O-CB 3.02Å; R250-N296 PolarHBondContact O-N 2.8Å; R250-L456 HydrophobicContact CG-CD1 3.98Å; R250-L456 HydrophobicContact CG-CD2 4.06Å; R250-L464 WeakPolarHBondContact CA-O 3.46Å; R250-L464 HydrophobicContact CB-CB 4.15Å; R250-D465 IonicContact CZ-OD1 3.71Å; R250-D465 IonicContact NH1-OD1 3.55Å; R250-D465 PolarHBondContact NH1-OD1 3.29Å; R250-D465 IonicContact NH1-OD2 3.71Å; R250-D465 IonicContact NH2-OD1 4Å; R250-D465 PolarHBondContact NH2-OD1 3.5Å
251	F	85.1	Confident	78.9	Confident	23 Å²	23	40.2 Å²	40.2	10%	0.101	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.6	177.4	-56	-83.7	0	0	0	108.6	E249 N296 I298 L464 E467 P468	E249-F251 HydrophobicContact CB-CE2 4.08Å; E249-F251 HydrophobicContact CB-CZ 3.94Å; F251-N296 WeakPolarHBondContact CA-O 3.37Å; F251-N296 HydrophobicContact CD1-CB 3.76Å; F251-N296 HydrophobicContact CE1-CB 4.13Å; F251-N296 WeakPolarHBondContact CE1-ND2 3.47Å; F251-I298 HydrophobicContact CD1-CD1 3.91Å; F251-L464 PolarHBondContact N-O 2.64Å; F251-L464 VanDerWaalsContact O-CA 3.31Å; F251-L464 WeakPolarHBondContact O-CA 3.46Å; F251-L464 VanDerWaalsContact O-CB 3.27Å; F251-L464 WeakPolarHBondContact O-CB 3.48Å; F251-L464 WeakPolarHBondContact O-CD2 3.27Å; F251-E467 HydrophobicContact CD2-CB 4.48Å; F251-E467 HydrophobicContact CE2-CB 4.02Å; F251-E467 HydrophobicContact CE2-CG 4.24Å; F251-E467 HydrophobicContact CZ-CB 4.47Å; F251-E467 HydrophobicContact CZ-CG 4.19Å; F251-P468 HydrophobicContact CB-CG 4.37Å; F251-P468 HydrophobicContact CD1-CG 4.13Å; F251-P468 VanDerWaalsContact CG-CD 3.42Å; F251-P468 HydrophobicContact CG-CG 4.3Å
252	V	87.8	Confident	81.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	93.5	179.3	-171.1	0	0	0	0	108.1	T254 V295 N296 I297 I298 D351 N352 M380 F409 L464	V252-T254 PolarHBondContact O-N 2.8Å; V252-T254 VanDerWaalsContact O-N 3.08Å; V252-T254 PolarHBondContact O-OG1 3.09Å; V252-V295 HydrophobicContact CG2-CG1 3.8Å; V252-N296 PolarHBondContact N-O 2.92Å; V252-I297 HydrophobicContact CB-CD1 3.75Å; V252-I297 HydrophobicContact CG1-CD1 4.22Å; V252-I297 HydrophobicContact CG2-CD1 3.71Å; V252-I298 PolarHBondContact O-N 2.99Å; V252-I298 VanDerWaalsContact O-N 3.1Å; V252-D351 HydrophobicContact CG1-CB 4.42Å; V252-N352 HydrophobicContact CG1-CB 3.9Å; V252-M380 HydrophobicContact CG1-CE 3.92Å; V252-M380 HydrophobicContact CG1-SD 4.07Å; V252-F409 HydrophobicContact CG2-CE2 4.37Å; V252-F409 HydrophobicContact CG2-CZ 3.84Å; V252-L464 HydrophobicContact CB-CD2 4.45Å; V252-L464 HydrophobicContact CG1-CD2 4.48Å; V252-L464 HydrophobicContact CG2-CD1 4.32Å; V252-L464 HydrophobicContact CG2-CD2 4.09Å
253	E	85	Confident	83.1	Confident	18 Å²	18	27.5 Å²	27.5	8%	0.084	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	105.5	174.8	-63	-166.8	128.9	0	0	108.8	A300 H349 H350 D351 N352	E253-A300 HydrophobicContact CB-CB 4.13Å; E253-H349 IonicContact OE2-CG 3.23Å; E253-H349 IonicContact OE2-ND1 3.13Å; E253-H349 PolarHBondContact OE2-ND1 3.3Å; E253-H350 CarbonylContact O-C 3.39Å; E253-H350 WeakPolarHBondContact O-CA 3.45Å; E253-H350 WeakPolarHBondContact O-CB 3.29Å; E253-D351 WeakPolarHBondContact CB-OD2 3.09Å; E253-D351 PolarHBondContact N-OD2 3.41Å; E253-D351 PolarHBondContact O-N 2.68Å; E253-N352 PolarHBondContact O-N 3.08Å
254	T	87	Confident	84.7	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.2	-170.2	-56.6	0	0	0	0	111.2	V252 V256 M279 I298 V299 A300 N352 V354	V252-T254 PolarHBondContact O-N 2.8Å; V252-T254 VanDerWaalsContact O-N 3.08Å; V252-T254 PolarHBondContact O-OG1 3.09Å; T254-V256 HydrophobicContact CG2-CG2 3.98Å; T254-M279 HydrophobicContact CG2-CE 4.11Å; T254-I298 WeakPolarHBondContact CB-O 3.36Å; T254-I298 PolarHBondContact N-O 2.83Å; T254-V299 CarbonylContact O-C 3.54Å; T254-V299 WeakPolarHBondContact O-CA 3.5Å; T254-A300 PolarHBondContact O-N 3.45Å; T254-N352 WeakPolarHBondContact CA-O 3.3Å; T254-V354 HydrophobicContact CG2-CB 4.41Å; T254-V354 HydrophobicContact CG2-CG2 3.69Å
255	L	89.3	Confident	85.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.9	163.9	168.2	62	0	0	0	108.8	V257 R301 I303 Q329 H350 N352 A353 V354	L255-V257 HydrophobicContact CD1-CG2 4.03Å; L255-V257 HydrophobicContact CD2-CG2 4.17Å; L255-V257 HydrophobicContact CG-CG2 3.82Å; L255-R301 HydrophobicContact CD1-CB 3.95Å; L255-R301 HydrophobicContact CD1-CG 4.16Å; L255-I303 HydrophobicContact CD1-CD1 3.86Å; L255-I303 HydrophobicContact CD1-CG1 4.01Å; L255-Q329 HydrophobicContact CD2-CB 4.21Å; L255-H350 HydrophobicContact CB-CB 4.01Å; L255-N352 PolarHBondContact N-O 2.73Å; L255-A353 HydrophobicContact CB-CB 4.43Å; L255-A353 HydrophobicContact CD2-CB 4.47Å; L255-A353 CarbonylContact O-C 3.55Å; L255-A353 WeakPolarHBondContact O-CA 3.46Å; L255-V354 PolarHBondContact O-N 3.35Å
256	V	91.8	Very high	86.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.5	174.6	-175.7	0	0	0	0	109.8	T254 I275 M279 V299 R301 L302 I303 I356	T254-V256 HydrophobicContact CG2-CG2 3.98Å; V256-I275 HydrophobicContact CG1-CG2 3.58Å; V256-M279 HydrophobicContact CG2-CE 3.93Å; V256-M279 HydrophobicContact CG2-CG 4.07Å; V256-M279 HydrophobicContact CG2-SD 4.04Å; V256-V299 HydrophobicContact CB-CG1 4.3Å; V256-V299 HydrophobicContact CG2-CB 4.48Å; V256-V299 HydrophobicContact CG2-CG1 3.86Å; V256-V299 HydrophobicContact CG2-CG2 3.9Å; V256-R301 PolarHBondContact N-O 3.25Å; V256-L302 HydrophobicContact CB-CD1 4.16Å; V256-L302 HydrophobicContact CG1-CD1 4.1Å; V256-L302 WeakPolarHBondContact O-CA 3.45Å; V256-I303 PolarHBondContact O-N 3.15Å; V256-I356 HydrophobicContact CG1-CD1 3.9Å; V256-I356 HydrophobicContact CG1-CG1 4.47Å
257	V	94	Very high	86.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.6	-174.4	-171.1	0	0	0	0	109	L255 I303 L305 F325 W328 V354 L355 I356	L255-V257 HydrophobicContact CD1-CG2 4.03Å; L255-V257 HydrophobicContact CD2-CG2 4.17Å; L255-V257 HydrophobicContact CG-CG2 3.82Å; V257-I303 WeakPolarHBondContact CA-O 3.44Å; V257-I303 HydrophobicContact CG1-CB 4.44Å; V257-I303 HydrophobicContact CG2-CB 4.41Å; V257-L305 HydrophobicContact CG1-CD1 3.95Å; V257-L305 HydrophobicContact CG1-CG 4.04Å; V257-F325 HydrophobicContact CB-CE2 4Å; V257-F325 HydrophobicContact CB-CZ 4.27Å; V257-F325 HydrophobicContact CG1-CE2 4.36Å; V257-F325 HydrophobicContact CG2-CE2 3.82Å; V257-F325 HydrophobicContact CG2-CZ 3.97Å; V257-W328 HydrophobicContact CG1-CH2 4.18Å; V257-W328 HydrophobicContact CG1-CZ3 4.05Å; V257-W328 HydrophobicContact CG2-CZ3 4.12Å; V257-V354 PolarHBondContact N-O 2.84Å; V257-L355 HydrophobicContact CB-CD1 4.09Å; V257-L355 HydrophobicContact CG1-CD1 3.96Å; V257-L355 CarbonylContact O-C 3.59Å; V257-L355 WeakPolarHBondContact O-CA 3.37Å; V257-I356 PolarHBondContact O-N 3.48Å
258	A	93.6	Very high	85.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.9	175.6	0	0	0	0	0	110.6	M262 I271 I275 I303 L305	A258-M262 HydrophobicContact CB-CB 4.02Å; A258-M262 HydrophobicContact CB-CG 4.11Å; A258-I271 HydrophobicContact CB-CD1 4.19Å; A258-I275 HydrophobicContact CB-CD1 3.46Å; A258-I275 VanDerWaalsContact CB-CD1 3.46Å; A258-I303 PolarHBondContact N-O 3.12Å; A258-L305 WeakPolarHBondContact O-CB 3.39Å; A258-L305 PolarHBondContact O-N 3.49Å
259	D	92.6	Very high	84.6	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.192	C	C	.	.			trans	-81.9	175.5	-175.3	82.6	-8.9	0	0	0	114.1	M261 M262 V263 L305 I314 I356 T357 Y359	D259-M261 PolarHBondContact O-N 2.97Å; D259-M261 VanDerWaalsContact O-N 3.16Å; D259-M261 WeakPolarHBondContact OD1-CA 3.49Å; D259-M261 VanDerWaalsContact OD1-CB 3.28Å; D259-M261 WeakPolarHBondContact OD1-CB 3.05Å; D259-M261 PolarHBondContact OD1-N 3.4Å; D259-M262 WeakPolarHBondContact O-CB 3.49Å; D259-M262 PolarHBondContact O-N 2.89Å; D259-M262 WeakPolarHBondContact OD1-CG 3.03Å; D259-M262 PolarHBondContact OD1-N 2.72Å; D259-V263 PolarHBondContact O-N 3.09Å; D259-V263 VanDerWaalsContact O-N 3.17Å; D259-L305 CarbonylContact C-O 3.48Å; D259-L305 VanDerWaalsContact C-O 3.32Å; D259-I314 HydrophobicContact CB-CD1 3.84Å; D259-I356 PolarHBondContact N-O 3.33Å; D259-T357 VanDerWaalsContact OD2-CB 3.32Å; D259-T357 WeakPolarHBondContact OD2-CB 3.43Å; D259-T357 PolarHBondContact OD2-OG1 2.93Å; D259-Y359 WeakPolarHBondContact OD2-CD2 3.02Å
260	K	89.9	Confident	84	Confident	58 Å²	58	39.9 Å²	39.9	25%	0.252	20%	0.204	S	C	.	.	H	α-helix	trans	-60.6	-24.6	177.1	76.5	-167.7	-175.3	-155.4	0	113.2	V263 G264 L305 D308	K260-V263 PolarHBondContact O-N 3.32Å; K260-G264 PolarHBondContact O-N 3.32Å; K260-L305 WeakPolarHBondContact CA-O 3.26Å; K260-L305 PolarHBondContact N-O 2.84Å; K260-L305 VanDerWaalsContact N-O 3.12Å; K260-D308 WeakPolarHBondContact CD-OD1 3.49Å; K260-D308 WeakPolarHBondContact CE-OD1 3.43Å; K260-D308 IonicContact NZ-OD1 3.65Å; K260-D308 PolarHBondContact NZ-OD1 3.33Å; K260-D308 IonicContact NZ-OD2 2.85Å; K260-D308 PolarHBondContact NZ-OD2 3.36Å
261	M	87.8	Confident	83.6	Confident	76 Å²	76	38.7 Å²	38.7	37%	0.374	20%	0.199	S	C	.	.	H	α-helix	trans	-76.6	-37.1	179.6	-58.1	-64.2	-66.6	0	0	110.5	D259 G264 Y265 R358 Y359	D259-M261 PolarHBondContact O-N 2.97Å; D259-M261 VanDerWaalsContact O-N 3.16Å; D259-M261 WeakPolarHBondContact OD1-CA 3.49Å; D259-M261 VanDerWaalsContact OD1-CB 3.28Å; D259-M261 WeakPolarHBondContact OD1-CB 3.05Å; D259-M261 PolarHBondContact OD1-N 3.4Å; M261-G264 PolarHBondContact O-N 2.75Å; M261-Y265 VanDerWaalsContact O-CB 3.31Å; M261-Y265 WeakPolarHBondContact O-CB 3.35Å; M261-Y265 PolarHBondContact O-N 2.82Å; M261-R358 HydrophobicContact CB-CB 3.97Å; M261-Y359 HydrophobicContact CG-CD2 3.99Å; M261-Y359 HydrophobicContact CG-CE2 3.61Å
262	M	88.4	Confident	83.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58	-48.8	167	-66	-65.6	-70.5	0	0	111.1	A258 D259 G264 Y265 H266 I271 Y274 I356 R358 D392	A258-M262 HydrophobicContact CB-CB 4.02Å; A258-M262 HydrophobicContact CB-CG 4.11Å; D259-M262 WeakPolarHBondContact O-CB 3.49Å; D259-M262 PolarHBondContact O-N 2.89Å; D259-M262 WeakPolarHBondContact OD1-CG 3.03Å; D259-M262 PolarHBondContact OD1-N 2.72Å; M262-G264 VanDerWaalsContact C-N 3.33Å; M262-G264 PolarHBondContact O-N 2.82Å; M262-Y265 PolarHBondContact O-N 2.69Å; M262-Y265 VanDerWaalsContact O-N 3.15Å; M262-H266 PolarHBondContact O-N 2.91Å; M262-I271 HydrophobicContact CB-CD1 3.77Å; M262-Y274 HydrophobicContact CE-CD1 4.2Å; M262-Y274 HydrophobicContact CE-CE1 3.86Å; M262-I356 HydrophobicContact CE-CB 4.42Å; M262-I356 HydrophobicContact CE-CG2 3.57Å; M262-I356 HydrophobicContact CG-CG2 4.45Å; M262-I356 WeakPolarHBondContact CG-O 3.39Å; M262-I356 HydrophobicContact SD-CG2 3.84Å; M262-R358 HydrophobicContact SD-CG 3.77Å; M262-D392 HydrophobicContact CE-CB 3.98Å; M262-D392 HydrophobicContact SD-CB 3.44Å; M262-D392 WeakPolarHBondContact SD-CB 3.46Å
263	V	86.3	Confident	82.6	Confident	16 Å²	16	42.2 Å²	42.2	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-40.7	178.7	178.5	0	0	0	0	112	D259 K260 Y265 G267 R268 I271 V304 L305 T306	D259-V263 PolarHBondContact O-N 3.09Å; D259-V263 VanDerWaalsContact O-N 3.17Å; K260-V263 PolarHBondContact O-N 3.32Å; V263-Y265 VanDerWaalsContact C-N 3.3Å; V263-Y265 PolarHBondContact O-N 3.02Å; V263-G267 VanDerWaalsContact O-CA 3.28Å; V263-G267 WeakPolarHBondContact O-CA 3.48Å; V263-G267 PolarHBondContact O-N 2.8Å; V263-G267 VanDerWaalsContact O-N 3.11Å; V263-R268 HydrophobicContact CG1-CG 3.68Å; V263-I271 HydrophobicContact CB-CD1 4.46Å; V263-I271 HydrophobicContact CG2-CD1 3.82Å; V263-V304 HydrophobicContact CG2-CG1 3.36Å; V263-L305 WeakPolarHBondContact CG2-O 3.44Å; V263-T306 HydrophobicContact CG1-CG2 4.5Å
264	G	81.3	Confident	82.3	Confident	70 Å²	70	41.5 Å²	41.5	72%	0.722	21%	0.212	S	C	*	.	H	α-helix	trans	-71	-20.7	176.7	0	0	0	0	0	114.4	K260 M261 M262	K260-G264 PolarHBondContact O-N 3.32Å; M261-G264 PolarHBondContact O-N 2.75Å; M262-G264 VanDerWaalsContact C-N 3.33Å; M262-G264 PolarHBondContact O-N 2.82Å
265	Y	81.1	Confident	82	Confident	81 Å²	81	41.6 Å²	41.6	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-95.1	-54.4	-179.1	-171.5	-93.5	0	0	0	113.1	M261 M262 V263 R358 R491 F492 G495	M261-Y265 VanDerWaalsContact O-CB 3.31Å; M261-Y265 WeakPolarHBondContact O-CB 3.35Å; M261-Y265 PolarHBondContact O-N 2.82Å; M262-Y265 PolarHBondContact O-N 2.69Å; M262-Y265 VanDerWaalsContact O-N 3.15Å; V263-Y265 VanDerWaalsContact C-N 3.3Å; V263-Y265 PolarHBondContact O-N 3.02Å; Y265-R358 HydrophobicContact CG-CG 4.47Å; Y265-R358 PolarHBondContact OH-NH2 3.07Å; Y265-R358 VanDerWaalsContact OH-NH2 3.13Å; Y265-R491 PolarHBondContact OH-O 3.02Å; Y265-F492 PolarHBondContact OH-O 3.18Å; Y265-G495 WeakPolarHBondContact OH-CA 3.46Å; Y265-G495 PolarHBondContact OH-N 3.03Å
266	H	77.4	Confident	81.4	Confident	20 Å²	20	42.4 Å²	42.4	9%	0.093	22%	0.217	C	C	.	.	H	α-helix	trans	-85.9	-16.9	-177.2	-66.1	-75.6	0	0	0	113.3	M262 I271 Y274 D392 F492	M262-H266 PolarHBondContact O-N 2.91Å; H266-I271 HydrophobicContact CB-CB 4.09Å; H266-I271 HydrophobicContact CB-CG1 4.47Å; H266-Y274 AromaticContact CE1-CD1 3.77Å; H266-Y274 AromaticContact CE1-CD2 3.8Å; H266-Y274 AromaticContact CE1-CE1 3.55Å; H266-Y274 AromaticContact CE1-CE2 3.57Å; H266-Y274 AromaticContact CE1-CG 3.89Å; H266-Y274 AromaticContact CE1-CZ 3.42Å; H266-Y274 VanDerWaalsContact CE1-CZ 3.42Å; H266-Y274 AromaticContact ND1-CG 3.98Å; H266-Y274 AromaticContact NE2-CD1 3.76Å; H266-Y274 AromaticContact NE2-CE1 3.41Å; H266-Y274 WeakPolarHBondContact NE2-CE1 3.31Å; H266-Y274 AromaticContact NE2-CZ 3.67Å; H266-D392 IonicContact CD2-OD2 2.68Å; H266-D392 IonicContact CE1-OD2 3.18Å; H266-D392 IonicContact NE2-OD2 3.88Å; H266-D392 PolarHBondContact NE2-OD2 2.81Å; H266-F492 AromaticContact CE1-CD1 3.62Å; H266-F492 AromaticContact ND1-CD1 3.64Å; H266-F492 AromaticContact ND1-CE1 3.84Å
267	G	77.3	Confident	80.5	Confident	26 Å²	26	42.6 Å²	42.6	27%	0.268	22%	0.218	S	C	.	.	H	α-helix	trans	77.6	153.2	-177.8	0	0	0	0	0	113.6	V263 K269 D270 I271	V263-G267 VanDerWaalsContact O-CA 3.28Å; V263-G267 WeakPolarHBondContact O-CA 3.48Å; V263-G267 PolarHBondContact O-N 2.8Å; V263-G267 VanDerWaalsContact O-N 3.11Å; G267-K269 PolarHBondContact O-N 2.81Å; G267-D270 PolarHBondContact O-N 2.82Å; G267-I271 WeakPolarHBondContact O-CB 3.3Å; G267-I271 VanDerWaalsContact O-CG2 3.25Å; G267-I271 WeakPolarHBondContact O-CG2 3.49Å; G267-I271 PolarHBondContact O-N 3.3Å
268	R	68.3	Low	79.8	Confident	143 Å²	143	42.7 Å²	42.7	54%	0.54	22%	0.219	S	C	.	.	H	α-helix	trans	-65	-9.6	-172.7	-72.4	-171.5	-179.1	-158.7	0.4	115.9	Y115 V263	Y115-R268 HydrophobicContact CE1-CB 4.49Å; Y115-R268 HydrophobicContact CE1-CG 4.39Å; Y115-R268 PolarHBondContact OH-O 2.79Å; V263-R268 HydrophobicContact CG1-CG 3.68Å
269	K	62.4	Low	79.2	Confident	175 Å²	175	42.7 Å²	42.7	76%	0.761	22%	0.219	S	C	*	.	H	α-helix	trans	-97.6	-38.8	-177.7	-68.6	-175.5	178.7	-178.4	0	113	G267	G267-K269 PolarHBondContact O-N 2.81Å
270	D	70.8	Confident	78.4	Confident	103 Å²	103	44 Å²	44	55%	0.551	23%	0.225	S	C	*	.	H	α-helix	trans	-103.3	-18.1	-165.9	-48.7	-76.1	0	0	0	111.8	G267 E272 H273 Y274	G267-D270 PolarHBondContact O-N 2.82Å; D270-E272 VanDerWaalsContact C-N 3.35Å; D270-E272 PolarHBondContact O-N 2.91Å; D270-H273 PolarHBondContact O-N 3.2Å; D270-Y274 WeakPolarHBondContact O-CB 3.41Å; D270-Y274 PolarHBondContact O-N 2.86Å
271	I	79.5	Confident	77.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.3	-39.1	176.3	-172.4	168.7	0	0	0	114.3	A258 M262 V263 H266 G267 Y274 I275 V304	A258-I271 HydrophobicContact CB-CD1 4.19Å; M262-I271 HydrophobicContact CB-CD1 3.77Å; V263-I271 HydrophobicContact CB-CD1 4.46Å; V263-I271 HydrophobicContact CG2-CD1 3.82Å; H266-I271 HydrophobicContact CB-CB 4.09Å; H266-I271 HydrophobicContact CB-CG1 4.47Å; G267-I271 WeakPolarHBondContact O-CB 3.3Å; G267-I271 VanDerWaalsContact O-CG2 3.25Å; G267-I271 WeakPolarHBondContact O-CG2 3.49Å; G267-I271 PolarHBondContact O-N 3.3Å; I271-Y274 PolarHBondContact O-N 3.3Å; I271-I275 HydrophobicContact CD1-CD1 4.22Å; I271-I275 HydrophobicContact CG1-CD1 3.61Å; I271-I275 HydrophobicContact CG1-CG1 4.25Å; I271-I275 VanDerWaalsContact O-CG1 3.28Å; I271-I275 WeakPolarHBondContact O-CG1 3.44Å; I271-I275 PolarHBondContact O-N 2.6Å; I271-V304 HydrophobicContact CD1-CG1 4.25Å
272	E	78.4	Confident	77.5	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.065	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-51	179.3	-65.3	-174.7	-170.2	0	0	111	V113 Y115 H125 F127 D270 Y274 I275 L276	V113-E272 HydrophobicContact CG1-CG 4.24Å; Y115-E272 VanDerWaalsContact CE2-OE1 3.27Å; Y115-E272 WeakPolarHBondContact CE2-OE1 3.28Å; Y115-E272 PolarHBondContact OH-OE1 3.12Å; H125-E272 IonicContact CD2-OE1 3.78Å; H125-E272 IonicContact CE1-OE1 2.63Å; H125-E272 IonicContact CE1-OE2 2.69Å; H125-E272 PolarHBondContact CE1-OE2 2.98Å; H125-E272 IonicContact NE2-OE1 2.67Å; H125-E272 PolarHBondContact NE2-OE1 2.03Å; H125-E272 IonicContact NE2-OE2 2.78Å; H125-E272 PolarHBondContact NE2-OE2 3.02Å; F127-E272 WeakPolarHBondContact CD2-OE2 3.4Å; F127-E272 VanDerWaalsContact CE2-OE2 3.29Å; F127-E272 WeakPolarHBondContact CE2-OE2 3.48Å; D270-E272 VanDerWaalsContact C-N 3.35Å; D270-E272 PolarHBondContact O-N 2.91Å; E272-Y274 VanDerWaalsContact C-N 3.31Å; E272-Y274 PolarHBondContact O-N 2.63Å; E272-I275 PolarHBondContact O-N 3.28Å; E272-L276 WeakPolarHBondContact O-CB 3.07Å; E272-L276 VanDerWaalsContact O-CG 3.3Å; E272-L276 WeakPolarHBondContact O-CG 3.34Å; E272-L276 PolarHBondContact O-N 3.05Å
273	H	72.5	Confident	77.1	Confident	83 Å²	83	38.6 Å²	38.6	38%	0.384	20%	0.201	S	C	.	.	H	α-helix	trans	-62.8	-38.6	177.5	-69.9	-61.4	0	0	0	112.2	F127 D270 S277 Y484	F127-H273 AromaticContact CZ-CE1 3.8Å; D270-H273 PolarHBondContact O-N 3.2Å; H273-S277 VanDerWaalsContact O-CB 3.3Å; H273-S277 WeakPolarHBondContact O-CB 3Å; H273-S277 PolarHBondContact O-N 2.87Å; H273-S277 PolarHBondContact O-OG 2.77Å; H273-Y484 VanDerWaalsContact C-OH 3.3Å; H273-Y484 PolarHBondContact O-OH 3.28Å
274	Y	77.9	Confident	76.5	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-54.1	176.3	176.7	-97.3	0	0	0	111.7	M262 H266 D270 I271 E272 L276 S277 V278 D392 G394 L395 Y484 F492	M262-Y274 HydrophobicContact CE-CD1 4.2Å; M262-Y274 HydrophobicContact CE-CE1 3.86Å; H266-Y274 AromaticContact CE1-CD1 3.77Å; H266-Y274 AromaticContact CE1-CD2 3.8Å; H266-Y274 AromaticContact CE1-CE1 3.55Å; H266-Y274 AromaticContact CE1-CE2 3.57Å; H266-Y274 AromaticContact CE1-CG 3.89Å; H266-Y274 AromaticContact CE1-CZ 3.42Å; H266-Y274 VanDerWaalsContact CE1-CZ 3.42Å; H266-Y274 AromaticContact ND1-CG 3.98Å; H266-Y274 AromaticContact NE2-CD1 3.76Å; H266-Y274 AromaticContact NE2-CE1 3.41Å; H266-Y274 WeakPolarHBondContact NE2-CE1 3.31Å; H266-Y274 AromaticContact NE2-CZ 3.67Å; D270-Y274 WeakPolarHBondContact O-CB 3.41Å; D270-Y274 PolarHBondContact O-N 2.86Å; I271-Y274 PolarHBondContact O-N 3.3Å; E272-Y274 VanDerWaalsContact C-N 3.31Å; E272-Y274 PolarHBondContact O-N 2.63Å; Y274-L276 PolarHBondContact O-N 3.23Å; Y274-S277 PolarHBondContact O-N 2.88Å; Y274-S277 VanDerWaalsContact O-N 3.11Å; Y274-V278 HydrophobicContact CD1-CG2 4.41Å; Y274-V278 HydrophobicContact CE1-CG2 3.93Å; Y274-V278 HydrophobicContact CE2-CG2 4.3Å; Y274-V278 WeakPolarHBondContact O-CG2 3.49Å; Y274-V278 PolarHBondContact O-N 2.81Å; Y274-D392 WeakPolarHBondContact CE1-OD1 3.02Å; Y274-D392 VanDerWaalsContact OH-CG 3.29Å; Y274-D392 PolarHBondContact OH-OD1 2.67Å; Y274-D392 PolarHBondContact OH-OD2 3.14Å; Y274-G394 WeakPolarHBondContact OH-CA 3.35Å; Y274-G394 PolarHBondContact OH-N 3.31Å; Y274-G394 PolarHBondContact OH-O 3Å; Y274-L395 HydrophobicContact CD2-CD2 4.28Å; Y274-L395 HydrophobicContact CE2-CD2 3.97Å; Y274-Y484 PolarHBondContact N-OH 2.89Å; Y274-F492 HydrophobicContact CD2-CD1 4.22Å; Y274-F492 HydrophobicContact CD2-CD2 4.07Å; Y274-F492 AromaticContact CD2-CE1 3.98Å; Y274-F492 HydrophobicContact CD2-CE1 3.98Å; Y274-F492 AromaticContact CD2-CE2 3.81Å; Y274-F492 HydrophobicContact CD2-CE2 3.81Å; Y274-F492 HydrophobicContact CD2-CG 4.27Å; Y274-F492 AromaticContact CD2-CZ 3.77Å; Y274-F492 HydrophobicContact CD2-CZ 3.77Å; Y274-F492 HydrophobicContact CE2-CB 4.25Å; Y274-F492 HydrophobicContact CE2-CD1 4.04Å; Y274-F492 AromaticContact CE2-CD2 3.62Å; Y274-F492 HydrophobicContact CE2-CD2 3.62Å; Y274-F492 HydrophobicContact CE2-CE1 4.26Å; Y274-F492 AromaticContact CE2-CE2 3.84Å; Y274-F492 HydrophobicContact CE2-CE2 3.84Å; Y274-F492 AromaticContact CE2-CG 3.73Å; Y274-F492 HydrophobicContact CE2-CG 3.73Å; Y274-F492 HydrophobicContact CE2-CZ 4.17Å
275	I	81.8	Confident	76.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-43.4	-179.1	-66.9	165.5	0	0	0	111.1	V256 A258 I271 E272 S277 V278 M279 L302 I356	V256-I275 HydrophobicContact CG1-CG2 3.58Å; A258-I275 HydrophobicContact CB-CD1 3.46Å; A258-I275 VanDerWaalsContact CB-CD1 3.46Å; I271-I275 HydrophobicContact CD1-CD1 4.22Å; I271-I275 HydrophobicContact CG1-CD1 3.61Å; I271-I275 HydrophobicContact CG1-CG1 4.25Å; I271-I275 VanDerWaalsContact O-CG1 3.28Å; I271-I275 WeakPolarHBondContact O-CG1 3.44Å; I271-I275 PolarHBondContact O-N 2.6Å; E272-I275 PolarHBondContact O-N 3.28Å; I275-S277 PolarHBondContact O-N 3.09Å; I275-V278 PolarHBondContact O-N 3.2Å; I275-M279 HydrophobicContact CG2-CG 4.39Å; I275-M279 WeakPolarHBondContact O-CG 3.17Å; I275-M279 PolarHBondContact O-N 3.33Å; I275-L302 HydrophobicContact CD1-CD1 4.06Å; I275-L302 HydrophobicContact CG2-CD1 3.94Å; I275-I356 HydrophobicContact CG2-CD1 4.21Å
276	L	76.5	Confident	76.7	Confident	18 Å²	18	34.5 Å²	34.5	9%	0.094	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-31	177.2	-69.7	171.9	0	0	0	112.2	F111 E272 Y274 N280 F473	F111-L276 HydrophobicContact CE1-CD1 4.44Å; F111-L276 HydrophobicContact CZ-CD1 4.37Å; F111-L276 HydrophobicContact CZ-CD2 4.18Å; E272-L276 WeakPolarHBondContact O-CB 3.07Å; E272-L276 VanDerWaalsContact O-CG 3.3Å; E272-L276 WeakPolarHBondContact O-CG 3.34Å; E272-L276 PolarHBondContact O-N 3.05Å; Y274-L276 PolarHBondContact O-N 3.23Å; L276-N280 WeakPolarHBondContact O-CB 3.5Å; L276-N280 PolarHBondContact O-N 3.22Å; L276-F473 HydrophobicContact CD2-CZ 4.25Å
277	S	73.2	Confident	76.8	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.028	18%	0.184	C	C	.	.	H	α-helix	trans	-77.3	-34.4	175.9	-58.6	0	0	0	0	113.1	H273 Y274 I275 N280 I281	H273-S277 VanDerWaalsContact O-CB 3.3Å; H273-S277 WeakPolarHBondContact O-CB 3Å; H273-S277 PolarHBondContact O-N 2.87Å; H273-S277 PolarHBondContact O-OG 2.77Å; Y274-S277 PolarHBondContact O-N 2.88Å; Y274-S277 VanDerWaalsContact O-N 3.11Å; I275-S277 PolarHBondContact O-N 3.09Å; S277-N280 WeakPolarHBondContact O-CB 3.37Å; S277-I281 PolarHBondContact O-N 3.06Å
278	V	79.8	Confident	77	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-50.1	168.4	168.2	0	0	0	0	110	Y274 I275 N280 I281 V282 L395 A398 I401	Y274-V278 HydrophobicContact CD1-CG2 4.41Å; Y274-V278 HydrophobicContact CE1-CG2 3.93Å; Y274-V278 HydrophobicContact CE2-CG2 4.3Å; Y274-V278 WeakPolarHBondContact O-CG2 3.49Å; Y274-V278 PolarHBondContact O-N 2.81Å; I275-V278 PolarHBondContact O-N 3.2Å; V278-N280 VanDerWaalsContact C-N 3.27Å; V278-N280 PolarHBondContact O-N 3.11Å; V278-I281 WeakPolarHBondContact O-CB 3.36Å; V278-I281 PolarHBondContact O-N 2.63Å; V278-I281 VanDerWaalsContact O-N 3.14Å; V278-V282 PolarHBondContact O-N 3.11Å; V278-L395 HydrophobicContact CG2-CD2 4.06Å; V278-A398 HydrophobicContact CG1-CB 4.02Å; V278-A398 VanDerWaalsContact O-CB 3.3Å; V278-A398 WeakPolarHBondContact O-CB 3.31Å; V278-I401 HydrophobicContact CG1-CD1 3.6Å
279	M	80.8	Confident	77.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-22.7	-179.6	-66	-59.6	-60.4	0	0	113.7	T254 V256 I275 V282 A283 I297 V299 I401 Y475	T254-M279 HydrophobicContact CG2-CE 4.11Å; V256-M279 HydrophobicContact CG2-CE 3.93Å; V256-M279 HydrophobicContact CG2-CG 4.07Å; V256-M279 HydrophobicContact CG2-SD 4.04Å; I275-M279 HydrophobicContact CG2-CG 4.39Å; I275-M279 WeakPolarHBondContact O-CG 3.17Å; I275-M279 PolarHBondContact O-N 3.33Å; M279-V282 HydrophobicContact CE-CB 4.4Å; M279-V282 HydrophobicContact CE-CG1 4.3Å; M279-V282 PolarHBondContact O-N 3.26Å; M279-V282 HydrophobicContact SD-CG2 4.11Å; M279-A283 WeakPolarHBondContact O-CB 3.44Å; M279-A283 PolarHBondContact O-N 3.24Å; M279-I297 HydrophobicContact CE-CG2 4.04Å; M279-V299 HydrophobicContact CB-CG2 3.83Å; M279-V299 HydrophobicContact CE-CG2 4.1Å; M279-V299 HydrophobicContact CG-CG2 3.96Å; M279-I401 HydrophobicContact SD-CD1 4.33Å; M279-I401 HydrophobicContact SD-CG2 4.06Å; M279-Y475 VanDerWaalsContact C-CE1 3.41Å; M279-Y475 HydrophobicContact CB-CE1 3.74Å; M279-Y475 WeakPolarHBondContact O-CE1 3.13Å
280	N	75.1	Confident	78.6	Confident	30 Å²	30	27.6 Å²	27.6	16%	0.16	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-46.1	169.7	-172.8	15.5	0	0	0	111.4	L276 S277 V278 A283 K284 Y475 P476	L276-N280 WeakPolarHBondContact O-CB 3.5Å; L276-N280 PolarHBondContact O-N 3.22Å; S277-N280 WeakPolarHBondContact O-CB 3.37Å; V278-N280 VanDerWaalsContact C-N 3.27Å; V278-N280 PolarHBondContact O-N 3.11Å; N280-A283 PolarHBondContact O-N 2.97Å; N280-K284 PolarHBondContact O-N 3.11Å; N280-Y475 VanDerWaalsContact CA-CD1 3.44Å; N280-Y475 HydrophobicContact CB-CD1 3.79Å; N280-Y475 HydrophobicContact CB-CG 3.98Å; N280-Y475 VanDerWaalsContact CG-CB 3.47Å; N280-Y475 VanDerWaalsContact OD1-CB 3.27Å; N280-Y475 WeakPolarHBondContact OD1-CB 3.48Å; N280-P476 PolarHBondContact ND2-O 3.25Å
281	I	75.1	Confident	79.5	Confident	20 Å²	20	22.7 Å²	22.7	10%	0.103	11%	0.108	C	C	.	.	H	α-helix	trans	-63.3	-44.8	176.8	-59.8	163.5	0	0	0	109.3	S277 V278 A283 K284 L285 L395 A398 F399 P480	S277-I281 PolarHBondContact O-N 3.06Å; V278-I281 WeakPolarHBondContact O-CB 3.36Å; V278-I281 PolarHBondContact O-N 2.63Å; V278-I281 VanDerWaalsContact O-N 3.14Å; I281-A283 PolarHBondContact O-N 3.28Å; I281-K284 PolarHBondContact O-N 3.34Å; I281-K284 VanDerWaalsContact O-N 3.16Å; I281-L285 HydrophobicContact CG2-CD1 4.08Å; I281-L285 HydrophobicContact CG2-CG 4.38Å; I281-L285 VanDerWaalsContact O-CG 3.28Å; I281-L285 WeakPolarHBondContact O-CG 3.34Å; I281-L285 PolarHBondContact O-N 2.96Å; I281-L395 HydrophobicContact CD1-CB 4.11Å; I281-A398 HydrophobicContact CB-CB 3.46Å; I281-A398 VanDerWaalsContact CB-CB 3.46Å; I281-A398 HydrophobicContact CD1-CB 4.12Å; I281-A398 HydrophobicContact CG1-CB 4.39Å; I281-A398 HydrophobicContact CG2-CB 3.49Å; I281-A398 VanDerWaalsContact CG2-CB 3.49Å; I281-F399 HydrophobicContact CG2-CE1 4.31Å; I281-P480 HydrophobicContact CD1-CB 4.32Å; I281-P480 HydrophobicContact CD1-CG 4.05Å; I281-P480 HydrophobicContact CG1-CG 3.84Å
282	V	83.1	Confident	79.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-54.5	-49.9	174.3	179.9	0	0	0	0	111.3	V278 M279 K284 L285 Y286 I297 A398 I401 A402 I405	V278-V282 PolarHBondContact O-N 3.11Å; M279-V282 HydrophobicContact CE-CB 4.4Å; M279-V282 HydrophobicContact CE-CG1 4.3Å; M279-V282 PolarHBondContact O-N 3.26Å; M279-V282 HydrophobicContact SD-CG2 4.11Å; V282-K284 VanDerWaalsContact C-N 3.33Å; V282-K284 PolarHBondContact O-N 2.62Å; V282-L285 PolarHBondContact O-N 3.23Å; V282-Y286 HydrophobicContact CG1-CD2 4.19Å; V282-Y286 HydrophobicContact CG1-CE2 4.39Å; V282-Y286 WeakPolarHBondContact O-CD2 3.26Å; V282-Y286 PolarHBondContact O-N 3.23Å; V282-Y286 VanDerWaalsContact O-N 3.11Å; V282-I297 HydrophobicContact CG1-CG1 4.3Å; V282-I297 HydrophobicContact CG1-CG2 4.34Å; V282-A398 HydrophobicContact CG2-CB 3.95Å; V282-A398 WeakPolarHBondContact CG2-O 3.45Å; V282-I401 HydrophobicContact CG1-CG2 4.17Å; V282-I401 HydrophobicContact CG2-CB 3.84Å; V282-I401 HydrophobicContact CG2-CG2 3.72Å; V282-A402 HydrophobicContact CG1-CB 4.29Å; V282-I405 HydrophobicContact CG1-CD1 4.05Å
283	A	80.3	Confident	80.3	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-65.8	-32.5	179.3	0	0	0	0	0	113.2	M279 N280 I281 R287 I297 Y475	M279-A283 WeakPolarHBondContact O-CB 3.44Å; M279-A283 PolarHBondContact O-N 3.24Å; N280-A283 PolarHBondContact O-N 2.97Å; I281-A283 PolarHBondContact O-N 3.28Å; A283-R287 WeakPolarHBondContact O-CG 3.3Å; A283-R287 PolarHBondContact O-N 3.32Å; A283-I297 HydrophobicContact CB-CB 4.16Å; A283-Y475 HydrophobicContact CB-CD2 4.03Å; A283-Y475 HydrophobicContact CB-CE1 4.47Å; A283-Y475 HydrophobicContact CB-CE2 3.33Å
284	K	74.5	Confident	80.8	Confident	75 Å²	75	19.4 Å²	19.4	33%	0.326	10%	0.095	S	C	.	.	H	α-helix	trans	-67.8	-42.2	172.4	-163.7	-171.3	-177.9	-170.6	0	111.7	N280 I281 V282 Y286 R287 D288 E528	N280-K284 PolarHBondContact O-N 3.11Å; I281-K284 PolarHBondContact O-N 3.34Å; I281-K284 VanDerWaalsContact O-N 3.16Å; V282-K284 VanDerWaalsContact C-N 3.33Å; V282-K284 PolarHBondContact O-N 2.62Å; K284-Y286 VanDerWaalsContact C-N 3.34Å; K284-Y286 PolarHBondContact O-N 2.82Å; K284-R287 CarbonylContact O-C 3.58Å; K284-R287 PolarHBondContact O-N 3.22Å; K284-R287 VanDerWaalsContact O-N 3.1Å; K284-D288 PolarHBondContact O-N 2.96Å; K284-D288 VanDerWaalsContact O-N 3.15Å; K284-E528 VanDerWaalsContact CD-OE2 3.27Å; K284-E528 WeakPolarHBondContact CD-OE2 3.43Å; K284-E528 WeakPolarHBondContact CE-OE2 3.41Å; K284-E528 IonicContact NZ-OE1 2.62Å; K284-E528 PolarHBondContact NZ-OE1 2.82Å; K284-E528 IonicContact NZ-OE2 2.73Å; K284-E528 PolarHBondContact NZ-OE2 3.4Å
285	L	81.3	Confident	81.3	Confident	6 Å²	6	19.2 Å²	19.2	3%	0.031	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-41.9	177.9	-68.3	168.9	0	0	0	111.7	I281 V282 R287 D288 F399 A402 L430 P441 F442 W444	I281-L285 HydrophobicContact CG2-CD1 4.08Å; I281-L285 HydrophobicContact CG2-CG 4.38Å; I281-L285 VanDerWaalsContact O-CG 3.28Å; I281-L285 WeakPolarHBondContact O-CG 3.34Å; I281-L285 PolarHBondContact O-N 2.96Å; V282-L285 PolarHBondContact O-N 3.23Å; L285-R287 VanDerWaalsContact C-N 3.25Å; L285-R287 PolarHBondContact O-N 3.33Å; L285-D288 WeakPolarHBondContact O-CB 3.3Å; L285-D288 PolarHBondContact O-N 3.09Å; L285-F399 HydrophobicContact CD1-CD1 3.69Å; L285-F399 HydrophobicContact CD1-CE1 4.12Å; L285-F399 HydrophobicContact CD2-CD1 4.44Å; L285-F399 HydrophobicContact CD2-CE1 4.3Å; L285-A402 HydrophobicContact CB-CB 4.31Å; L285-A402 HydrophobicContact CD1-CB 3.66Å; L285-L430 HydrophobicContact CB-CD2 4.32Å; L285-L430 HydrophobicContact CD1-CD2 4.17Å; L285-L430 HydrophobicContact CD2-CD2 4.41Å; L285-P441 VanDerWaalsContact CD2-O 3.28Å; L285-P441 WeakPolarHBondContact CD2-O 3.28Å; L285-F442 HydrophobicContact CD2-CD1 4.42Å; L285-W444 PolarHBondContact O-NE1 3.28Å
286	Y	85.5	Confident	81.4	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71.1	-17	175.5	-87.9	-79.8	0	0	0	115	V282 K284 L291 V295 I297 A402 I405 G406 F409 W444	V282-Y286 HydrophobicContact CG1-CD2 4.19Å; V282-Y286 HydrophobicContact CG1-CE2 4.39Å; V282-Y286 WeakPolarHBondContact O-CD2 3.26Å; V282-Y286 PolarHBondContact O-N 3.23Å; V282-Y286 VanDerWaalsContact O-N 3.11Å; K284-Y286 VanDerWaalsContact C-N 3.34Å; K284-Y286 PolarHBondContact O-N 2.82Å; Y286-L291 HydrophobicContact CD1-CD2 3.73Å; Y286-L291 HydrophobicContact CE1-CD2 4.34Å; Y286-L291 VanDerWaalsContact O-CD2 3.27Å; Y286-L291 WeakPolarHBondContact O-CD2 3.35Å; Y286-V295 CarbonylContact C-O 3.6Å; Y286-V295 HydrophobicContact CD1-CB 3.97Å; Y286-V295 HydrophobicContact CD1-CG1 3.75Å; Y286-V295 HydrophobicContact CG-CG1 4.35Å; Y286-I297 HydrophobicContact CD1-CD1 4.21Å; Y286-I297 HydrophobicContact CD2-CD1 3.78Å; Y286-I297 HydrophobicContact CD2-CG1 3.47Å; Y286-I297 VanDerWaalsContact CD2-CG1 3.47Å; Y286-I297 HydrophobicContact CE2-CD1 4.2Å; Y286-I297 HydrophobicContact CE2-CG1 4.27Å; Y286-I297 HydrophobicContact CG-CD1 3.79Å; Y286-I297 HydrophobicContact CG-CG1 3.61Å; Y286-A402 HydrophobicContact CE2-CB 4.12Å; Y286-A402 PolarHBondContact OH-O 3.34Å; Y286-A402 VanDerWaalsContact OH-O 3.05Å; Y286-I405 HydrophobicContact CE1-CG2 4.47Å; Y286-I405 HydrophobicContact CE2-CB 4.07Å; Y286-I405 HydrophobicContact CE2-CG2 3.98Å; Y286-I405 WeakPolarHBondContact OH-CB 3.47Å; Y286-I405 WeakPolarHBondContact OH-CG2 3.17Å; Y286-G406 WeakPolarHBondContact OH-CA 3.45Å; Y286-G406 PolarHBondContact OH-N 3.4Å; Y286-F409 HydrophobicContact CD1-CE2 4.34Å; Y286-F409 AromaticContact CE1-CD2 3.78Å; Y286-F409 HydrophobicContact CE1-CD2 3.78Å; Y286-F409 AromaticContact CE1-CE2 3.63Å; Y286-F409 HydrophobicContact CE1-CE2 3.63Å; Y286-W444 HydrophobicContact CD1-CZ2 4.16Å; Y286-W444 HydrophobicContact CD2-CZ2 4.22Å; Y286-W444 AromaticContact CE1-CH2 3.95Å; Y286-W444 HydrophobicContact CE1-CH2 3.95Å; Y286-W444 AromaticContact CE1-CZ2 3.94Å; Y286-W444 HydrophobicContact CE1-CZ2 3.94Å; Y286-W444 AromaticContact CE2-CH2 3.97Å; Y286-W444 HydrophobicContact CE2-CH2 3.97Å; Y286-W444 HydrophobicContact CE2-CZ2 4.01Å; Y286-W444 HydrophobicContact CG-CZ2 4.29Å; Y286-W444 AromaticContact CZ-CH2 3.57Å; Y286-W444 AromaticContact CZ-CZ2 3.84Å
287	R	78.7	Confident	81.7	Confident	139 Å²	139	18.9 Å²	18.9	53%	0.525	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-5.8	171.5	-73.5	173.7	167.9	170.3	-2.7	113.5	A283 K284 L285 N296	A283-R287 WeakPolarHBondContact O-CG 3.3Å; A283-R287 PolarHBondContact O-N 3.32Å; K284-R287 CarbonylContact O-C 3.58Å; K284-R287 PolarHBondContact O-N 3.22Å; K284-R287 VanDerWaalsContact O-N 3.1Å; L285-R287 VanDerWaalsContact C-N 3.25Å; L285-R287 PolarHBondContact O-N 3.33Å; R287-N296 VanDerWaalsContact CZ-OD1 3.28Å; R287-N296 PolarHBondContact NE-OD1 2.77Å; R287-N296 PolarHBondContact NH2-OD1 2.84Å
288	D	81.1	Confident	82	Confident	25 Å²	25	20.1 Å²	20.1	13%	0.134	10%	0.098	C	C	.	.	S	Bend	trans	-68.3	133.7	177.6	-174.3	-92.2	0	0	0	111.4	K284 L285 S290 L291	K284-D288 PolarHBondContact O-N 2.96Å; K284-D288 VanDerWaalsContact O-N 3.15Å; L285-D288 WeakPolarHBondContact O-CB 3.3Å; L285-D288 PolarHBondContact O-N 3.09Å; D288-S290 PolarHBondContact O-N 2.76Å; D288-S290 VanDerWaalsContact O-N 3.12Å; D288-S290 VanDerWaalsContact OD1-CB 3.24Å; D288-S290 WeakPolarHBondContact OD1-CB 3.37Å; D288-S290 PolarHBondContact OD1-N 3.05Å; D288-S290 PolarHBondContact OD1-OG 2.86Å; D288-L291 WeakPolarHBondContact O-CB 3.46Å; D288-L291 PolarHBondContact O-N 3.17Å
289	S	79.8	Confident	82	Confident	30 Å²	30	20.2 Å²	20.2	21%	0.21	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-67	-17.6	-170	69.9	0	0	0	0	114.2	L291 G292 P590	S289-L291 PolarHBondContact O-N 2.98Å; S289-G292 PolarHBondContact O-N 3.02Å; S289-G292 VanDerWaalsContact O-N 3.13Å; S289-P590 VanDerWaalsContact CB-CG 3.49Å; S289-P590 PolarHBondContact OG-O 3.19Å
290	S	85.1	Confident	81.8	Confident	25 Å²	25	21.3 Å²	21.3	18%	0.175	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-62.7	-25.4	175.4	61.3	0	0	0	0	113.4	D288 G292 W444 R449	D288-S290 PolarHBondContact O-N 2.76Å; D288-S290 VanDerWaalsContact O-N 3.12Å; D288-S290 VanDerWaalsContact OD1-CB 3.24Å; D288-S290 WeakPolarHBondContact OD1-CB 3.37Å; D288-S290 PolarHBondContact OD1-N 3.05Å; D288-S290 PolarHBondContact OD1-OG 2.86Å; S290-G292 PolarHBondContact O-N 2.68Å; S290-W444 PolarHBondContact OG-N 3.36Å; S290-R449 PolarHBondContact O-NH1 2.81Å
291	L	88.7	Confident	82	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.8	174.6	-171.6	63.3	0	0	0	113.4	Y286 D288 S289 N293 V295 M411 W444 R449 I452	Y286-L291 HydrophobicContact CD1-CD2 3.73Å; Y286-L291 HydrophobicContact CE1-CD2 4.34Å; Y286-L291 VanDerWaalsContact O-CD2 3.27Å; Y286-L291 WeakPolarHBondContact O-CD2 3.35Å; D288-L291 WeakPolarHBondContact O-CB 3.46Å; D288-L291 PolarHBondContact O-N 3.17Å; S289-L291 PolarHBondContact O-N 2.98Å; L291-N293 PolarHBondContact O-N 2.88Å; L291-N293 VanDerWaalsContact O-N 3.16Å; L291-N293 PolarHBondContact O-ND2 3.31Å; L291-V295 HydrophobicContact CD2-CB 4.15Å; L291-V295 HydrophobicContact CD2-CG2 3.91Å; L291-M411 HydrophobicContact CD1-CE 3.56Å; L291-W444 HydrophobicContact CB-CG 4.15Å; L291-W444 HydrophobicContact CD1-CD2 3.76Å; L291-W444 HydrophobicContact CD1-CE3 4.22Å; L291-W444 HydrophobicContact CD1-CG 3.96Å; L291-W444 HydrophobicContact CD1-CZ2 4.29Å; L291-R449 WeakPolarHBondContact O-CB 3.09Å; L291-R449 WeakPolarHBondContact O-CG 3.48Å; L291-I452 HydrophobicContact CD1-CD1 4.2Å; L291-I452 HydrophobicContact CD1-CG2 3.8Å; L291-I452 HydrophobicContact CD2-CD1 4.43Å; L291-I452 HydrophobicContact CG-CG2 4.32Å
292	G	86.3	Confident	82.4	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.01	10%	0.102	C	C	.	.	S	Bend	trans	64.9	13.9	178.2	0	0	0	0	0	116.3	S289 S290 Y596	S289-G292 PolarHBondContact O-N 3.02Å; S289-G292 VanDerWaalsContact O-N 3.13Å; S290-G292 PolarHBondContact O-N 2.68Å; G292-Y596 WeakPolarHBondContact O-CE1 3.37Å
293	N	88.4	Confident	82.7	Confident	9 Å²	9	20.6 Å²	20.6	5%	0.048	10%	0.102	C	C	.	.	S	Bend	trans	-146.8	142.8	-178.9	-66	-94.4	0	0	0	107.7	L291 V295 T453 L456 R601	L291-N293 PolarHBondContact O-N 2.88Å; L291-N293 VanDerWaalsContact O-N 3.16Å; L291-N293 PolarHBondContact O-ND2 3.31Å; N293-V295 HydrophobicContact CB-CG2 4.28Å; N293-V295 PolarHBondContact O-N 2.91Å; N293-T453 PolarHBondContact ND2-OG1 2.77Å; N293-L456 HydrophobicContact CB-CD1 4.11Å; N293-R601 PolarHBondContact OD1-NH1 3.44Å; N293-R601 PolarHBondContact OD1-NH2 3.32Å
294	V	84.9	Confident	83.2	Confident	18 Å²	18	20.6 Å²	20.6	11%	0.109	10%	0.102	C	C	.	.			trans	-87.1	104	177.2	-178.3	0	0	0	0	109.4	E249 R250 Y596 L598	E249-V294 HydrophobicContact CB-CG1 4.19Å; E249-V294 HydrophobicContact CG-CB 4.32Å; E249-V294 HydrophobicContact CG-CG1 3.81Å; R250-V294 PolarHBondContact N-O 2.76Å; V294-Y596 WeakPolarHBondContact CG2-O 3.27Å; V294-L598 HydrophobicContact CB-CD2 4.18Å; V294-L598 HydrophobicContact CG2-CD2 3.75Å
295	V	88.1	Confident	83.9	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.4	-179.8	-175.6	0	0	0	0	110.2	R250 V252 Y286 L291 N293 I297 F409 I452	R250-V295 HydrophobicContact CB-CG2 4.33Å; V252-V295 HydrophobicContact CG2-CG1 3.8Å; Y286-V295 CarbonylContact C-O 3.6Å; Y286-V295 HydrophobicContact CD1-CB 3.97Å; Y286-V295 HydrophobicContact CD1-CG1 3.75Å; Y286-V295 HydrophobicContact CG-CG1 4.35Å; L291-V295 HydrophobicContact CD2-CB 4.15Å; L291-V295 HydrophobicContact CD2-CG2 3.91Å; N293-V295 HydrophobicContact CB-CG2 4.28Å; N293-V295 PolarHBondContact O-N 2.91Å; V295-I297 HydrophobicContact CG1-CD1 4.18Å; V295-F409 HydrophobicContact CG1-CE2 4.26Å; V295-F409 HydrophobicContact CG1-CZ 3.99Å; V295-I452 HydrophobicContact CG2-CD1 4.04Å
296	N	82.9	Confident	84.2	Confident	13 Å²	13	17.7 Å²	17.7	7%	0.07	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	104.1	177.5	-67.2	-71	0	0	0	109.7	R250 F251 V252 R287	R250-N296 WeakPolarHBondContact O-CB 3.02Å; R250-N296 PolarHBondContact O-N 2.8Å; F251-N296 WeakPolarHBondContact CA-O 3.37Å; F251-N296 HydrophobicContact CD1-CB 3.76Å; F251-N296 HydrophobicContact CE1-CB 4.13Å; F251-N296 WeakPolarHBondContact CE1-ND2 3.47Å; V252-N296 PolarHBondContact N-O 2.92Å; R287-N296 VanDerWaalsContact CZ-OD1 3.28Å; R287-N296 PolarHBondContact NE-OD1 2.77Å; R287-N296 PolarHBondContact NH2-OD1 2.84Å
297	I	83.1	Confident	84.2	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.2	165.8	-50.9	-55.8	0	0	0	108.4	V252 M279 V282 A283 Y286 V295 I405 Y475	V252-I297 HydrophobicContact CB-CD1 3.75Å; V252-I297 HydrophobicContact CG1-CD1 4.22Å; V252-I297 HydrophobicContact CG2-CD1 3.71Å; M279-I297 HydrophobicContact CE-CG2 4.04Å; V282-I297 HydrophobicContact CG1-CG1 4.3Å; V282-I297 HydrophobicContact CG1-CG2 4.34Å; A283-I297 HydrophobicContact CB-CB 4.16Å; Y286-I297 HydrophobicContact CD1-CD1 4.21Å; Y286-I297 HydrophobicContact CD2-CD1 3.78Å; Y286-I297 HydrophobicContact CD2-CG1 3.47Å; Y286-I297 VanDerWaalsContact CD2-CG1 3.47Å; Y286-I297 HydrophobicContact CE2-CD1 4.2Å; Y286-I297 HydrophobicContact CE2-CG1 4.27Å; Y286-I297 HydrophobicContact CG-CD1 3.79Å; Y286-I297 HydrophobicContact CG-CG1 3.61Å; V295-I297 HydrophobicContact CG1-CD1 4.18Å; I297-I405 HydrophobicContact CD1-CG2 4.43Å; I297-Y475 PolarHBondContact O-OH 3.3Å
298	I	79.3	Confident	84.5	Confident	29 Å²	29	19.9 Å²	19.9	15%	0.149	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.6	-179.1	-67.9	171.5	0	0	0	107.9	F251 V252 T254 A300 P468 F473	F251-I298 HydrophobicContact CD1-CD1 3.91Å; V252-I298 PolarHBondContact O-N 2.99Å; V252-I298 VanDerWaalsContact O-N 3.1Å; T254-I298 WeakPolarHBondContact CB-O 3.36Å; T254-I298 PolarHBondContact N-O 2.83Å; I298-A300 PolarHBondContact O-N 3.19Å; I298-P468 HydrophobicContact CD1-CG 3.6Å; I298-F473 HydrophobicContact CG2-CB 4.02Å; I298-F473 HydrophobicContact CG2-CD1 4.46Å; I298-F473 HydrophobicContact CG2-CD2 4.46Å; I298-F473 HydrophobicContact CG2-CG 4.05Å
299	V	79.3	Confident	84.8	Confident	3 Å²	3	19.4 Å²	19.4	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	103	174.8	179.8	0	0	0	0	109	T254 V256 M279 F473 Y475	T254-V299 CarbonylContact O-C 3.54Å; T254-V299 WeakPolarHBondContact O-CA 3.5Å; V256-V299 HydrophobicContact CB-CG1 4.3Å; V256-V299 HydrophobicContact CG2-CB 4.48Å; V256-V299 HydrophobicContact CG2-CG1 3.86Å; V256-V299 HydrophobicContact CG2-CG2 3.9Å; M279-V299 HydrophobicContact CB-CG2 3.83Å; M279-V299 HydrophobicContact CE-CG2 4.1Å; M279-V299 HydrophobicContact CG-CG2 3.96Å; V299-F473 HydrophobicContact CB-CE1 4Å; V299-F473 HydrophobicContact CB-CE2 4.46Å; V299-F473 HydrophobicContact CB-CZ 3.72Å; V299-F473 HydrophobicContact CG2-CE1 4.39Å; V299-F473 HydrophobicContact CG2-CZ 4.49Å; V299-F473 VanDerWaalsContact O-CE2 3.28Å; V299-F473 WeakPolarHBondContact O-CE2 3.04Å; V299-Y475 HydrophobicContact CG2-CE1 4.17Å
300	A	76.6	Confident	84.8	Confident	24 Å²	24	21.9 Å²	21.9	20%	0.198	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-33.8	-179.3	0	0	0	0	0	112.2	E253 T254 I298	E253-A300 HydrophobicContact CB-CB 4.13Å; T254-A300 PolarHBondContact O-N 3.45Å; I298-A300 PolarHBondContact O-N 3.19Å
301	R	79.5	Confident	84.7	Confident	35 Å²	35	27.9 Å²	27.9	13%	0.132	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	142.8	-176.3	-169.6	174.9	-177.5	-169.7	-1.7	110.8	E114 L255 V256 I303	E114-R301 IonicContact OE1-CZ 2.6Å; E114-R301 IonicContact OE1-NE 2.71Å; E114-R301 PolarHBondContact OE1-NE 3.42Å; E114-R301 IonicContact OE1-NH2 2.62Å; E114-R301 PolarHBondContact OE1-NH2 3.32Å; E114-R301 IonicContact OE2-CZ 3.63Å; E114-R301 IonicContact OE2-NE 2.82Å; E114-R301 IonicContact OE2-NH2 2.83Å; E114-R301 PolarHBondContact OE2-NH2 2.89Å; L255-R301 HydrophobicContact CD1-CB 3.95Å; L255-R301 HydrophobicContact CD1-CG 4.16Å; V256-R301 PolarHBondContact N-O 3.25Å; R301-I303 HydrophobicContact CG-CG1 4.3Å
302	L	85.3	Confident	84.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.5	173.5	177.2	58.6	0	0	0	110.2	F111 V113 E114 V256 I275 V304	F111-L302 HydrophobicContact CE2-CB 4.31Å; F111-L302 HydrophobicContact CZ-CB 4.17Å; F111-L302 HydrophobicContact CZ-CD2 4.47Å; V113-L302 HydrophobicContact CG1-CD2 4.14Å; V113-L302 HydrophobicContact CG1-CG 4.21Å; V113-L302 HydrophobicContact CG2-CD2 4.37Å; E114-L302 PolarHBondContact N-O 3.21Å; V256-L302 HydrophobicContact CB-CD1 4.16Å; V256-L302 HydrophobicContact CG1-CD1 4.1Å; V256-L302 WeakPolarHBondContact O-CA 3.45Å; I275-L302 HydrophobicContact CD1-CD1 4.06Å; I275-L302 HydrophobicContact CG2-CD1 3.94Å; L302-V304 HydrophobicContact CD1-CG2 4.5Å; L302-V304 HydrophobicContact CG-CG2 4.21Å
303	I	88.8	Confident	84.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.9	175.3	-60.3	179.9	0	0	0	109.4	W116 L255 V256 V257 A258 R301 L305 W328 I332	W116-I303 HydrophobicContact CD2-CG2 4.08Å; W116-I303 HydrophobicContact CG-CG2 3.93Å; W116-I303 HydrophobicContact CZ2-CD1 3.97Å; L255-I303 HydrophobicContact CD1-CD1 3.86Å; L255-I303 HydrophobicContact CD1-CG1 4.01Å; V256-I303 PolarHBondContact O-N 3.15Å; V257-I303 WeakPolarHBondContact CA-O 3.44Å; V257-I303 HydrophobicContact CG1-CB 4.44Å; V257-I303 HydrophobicContact CG2-CB 4.41Å; A258-I303 PolarHBondContact N-O 3.12Å; R301-I303 HydrophobicContact CG-CG1 4.3Å; I303-L305 HydrophobicContact CG2-CD2 3.64Å; I303-L305 HydrophobicContact CG2-CG 4.46Å; I303-W328 HydrophobicContact CD1-CH2 4.47Å; I303-W328 HydrophobicContact CG2-CH2 4.45Å; I303-I332 HydrophobicContact CD1-CD1 4.15Å
304	V	89.6	Confident	84.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	105.3	178.4	-178.2	0	0	0	0	108.5	V113 E114 Y115 W116 V263 I271 L302 T306	V113-V304 HydrophobicContact CG1-CG2 4.21Å; E114-V304 PolarHBondContact O-N 2.9Å; Y115-V304 WeakPolarHBondContact CA-O 3.47Å; Y115-V304 HydrophobicContact CD1-CB 4.07Å; Y115-V304 HydrophobicContact CD1-CG1 3.89Å; Y115-V304 HydrophobicContact CE1-CB 4.14Å; Y115-V304 HydrophobicContact CE1-CG1 3.74Å; Y115-V304 HydrophobicContact CG-CB 4.28Å; W116-V304 PolarHBondContact N-O 2.03Å; V263-V304 HydrophobicContact CG2-CG1 3.36Å; I271-V304 HydrophobicContact CD1-CG1 4.25Å; L302-V304 HydrophobicContact CD1-CG2 4.5Å; L302-V304 HydrophobicContact CG-CG2 4.21Å; V304-T306 PolarHBondContact O-N 3.24Å
305	L	90.4	Very high	85	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.8	179.5	-52.9	-177.9	0	0	0	109.2	W116 V257 A258 D259 K260 V263 I303 Q309 L312 W328	W116-L305 HydrophobicContact CB-CD2 3.89Å; W116-L305 HydrophobicContact CG-CD2 4.36Å; V257-L305 HydrophobicContact CG1-CD1 3.95Å; V257-L305 HydrophobicContact CG1-CG 4.04Å; A258-L305 WeakPolarHBondContact O-CB 3.39Å; A258-L305 PolarHBondContact O-N 3.49Å; D259-L305 CarbonylContact C-O 3.48Å; D259-L305 VanDerWaalsContact C-O 3.32Å; K260-L305 WeakPolarHBondContact CA-O 3.26Å; K260-L305 PolarHBondContact N-O 2.84Å; K260-L305 VanDerWaalsContact N-O 3.12Å; V263-L305 WeakPolarHBondContact CG2-O 3.44Å; I303-L305 HydrophobicContact CG2-CD2 3.64Å; I303-L305 HydrophobicContact CG2-CG 4.46Å; L305-Q309 HydrophobicContact CD1-CG 4.07Å; L305-Q309 HydrophobicContact CD2-CG 3.62Å; L305-Q309 HydrophobicContact CG-CG 4.36Å; L305-L312 HydrophobicContact CD1-CD2 3.58Å; L305-W328 HydrophobicContact CD2-CH2 4.2Å; L305-W328 HydrophobicContact CD2-CZ2 4.32Å
306	T	86.3	Confident	84.7	Confident	17 Å²	17	38.3 Å²	38.3	10%	0.104	20%	0.2	C	C	.	.	S	Bend	trans	-92.7	-20.1	177.5	65.1	0	0	0	0	113.3	Y115 W116 V263 V304	Y115-T306 HydrophobicContact CD1-CG2 3.75Å; W116-T306 PolarHBondContact O-N 3.16Å; W116-T306 PolarHBondContact O-OG1 3.43Å; V263-T306 HydrophobicContact CG1-CG2 4.5Å; V304-T306 PolarHBondContact O-N 3.24Å
307	E	86	Confident	84.8	Confident	92 Å²	92	40.6 Å²	40.6	43%	0.43	21%	0.211	S	C	.	.	S	Bend	trans	-140.5	164.7	172.2	-72.2	-174.6	-132	0	0	109.9	Q309	E307-Q309 PolarHBondContact O-NE2 2.84Å
308	D	85.8	Confident	84.9	Confident	93 Å²	93	40.6 Å²	40.6	50%	0.497	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-59	140.6	177	-63.7	-57.5	0	0	0	112.1	K260	K260-D308 WeakPolarHBondContact CD-OD1 3.49Å; K260-D308 WeakPolarHBondContact CE-OD1 3.43Å; K260-D308 IonicContact NZ-OD1 3.65Å; K260-D308 PolarHBondContact NZ-OD1 3.33Å; K260-D308 IonicContact NZ-OD2 2.85Å; K260-D308 PolarHBondContact NZ-OD2 3.36Å
309	Q	86.3	Confident	85.1	Confident	15 Å²	15	43 Å²	43	7%	0.07	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-101.6	145.1	-177.6	-61	-57	-59.5	0	0	111.8	G117 L305 E307 N311 L312 W328	G117-Q309 PolarHBondContact O-NE2 2.89Å; G117-Q309 PolarHBondContact O-OE1 2.91Å; L305-Q309 HydrophobicContact CD1-CG 4.07Å; L305-Q309 HydrophobicContact CD2-CG 3.62Å; L305-Q309 HydrophobicContact CG-CG 4.36Å; E307-Q309 PolarHBondContact O-NE2 2.84Å; Q309-N311 PolarHBondContact O-N 2.91Å; Q309-L312 HydrophobicContact CB-CB 4.1Å; Q309-L312 HydrophobicContact CB-CD2 4.37Å; Q309-L312 PolarHBondContact O-N 2.78Å; Q309-W328 HydrophobicContact CG-CZ2 4.23Å
310	P	79.7	Confident	85.4	Confident	82 Å²	82	47.8 Å²	47.8	53%	0.532	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	135.6	171	26.4	-33.6	0	0	0	110.5	L312	P310-L312 VanDerWaalsContact C-N 3.28Å; P310-L312 PolarHBondContact O-N 2.74Å
311	N	83.8	Confident	86.1	Confident	150 Å²	150	46.7 Å²	46.7	80%	0.802	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	20.9	-179.1	-45	-50.3	0	0	0	115.7	Q309 S324	Q309-N311 PolarHBondContact O-N 2.91Å; N311-S324 PolarHBondContact O-OG 3.34Å
312	L	89.1	Confident	86.6	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.073	23%	0.232	C	C	.	.			trans	-125.8	102.8	169.8	179.5	58.7	0	0	0	110.3	L305 Q309 P310 I314 F325 W328	L305-L312 HydrophobicContact CD1-CD2 3.58Å; Q309-L312 HydrophobicContact CB-CB 4.1Å; Q309-L312 HydrophobicContact CB-CD2 4.37Å; Q309-L312 PolarHBondContact O-N 2.78Å; P310-L312 VanDerWaalsContact C-N 3.28Å; P310-L312 PolarHBondContact O-N 2.74Å; L312-I314 HydrophobicContact CD1-CG1 4.13Å; L312-I314 HydrophobicContact CD2-CD1 4.05Å; L312-I314 HydrophobicContact CD2-CG1 4.46Å; L312-I314 HydrophobicContact CG-CD1 4.14Å; L312-I314 HydrophobicContact CG-CG1 3.99Å; L312-F325 HydrophobicContact CD1-CB 4.16Å; L312-F325 HydrophobicContact CD1-CD2 4.16Å; L312-W328 HydrophobicContact CB-CB 4.33Å; L312-W328 HydrophobicContact CB-CD2 4.3Å; L312-W328 HydrophobicContact CB-CG 3.88Å; L312-W328 HydrophobicContact CD1-CB 4.02Å; L312-W328 HydrophobicContact CD1-CD2 4.34Å; L312-W328 HydrophobicContact CD1-CG 4.14Å; L312-W328 HydrophobicContact CD2-CD2 3.81Å; L312-W328 HydrophobicContact CD2-CE3 4.03Å; L312-W328 HydrophobicContact CD2-CG 4.25Å; L312-W328 HydrophobicContact CD2-CH2 4.31Å; L312-W328 HydrophobicContact CD2-CZ2 4.11Å; L312-W328 HydrophobicContact CD2-CZ3 4.27Å; L312-W328 HydrophobicContact CG-CD2 4.37Å; L312-W328 HydrophobicContact CG-CG 4.31Å
313	E	89.9	Confident	86.9	Confident	112 Å²	112	49.5 Å²	49.5	52%	0.523	25%	0.253	S	S	.	.			trans	-94.3	114.2	172.8	-164.7	-176.7	166.5	0	0	110	N315 S324	E313-N315 VanDerWaalsContact CD-ND2 3.33Å; E313-N315 PolarHBondContact OE1-ND2 2.94Å; E313-S324 PolarHBondContact N-OG 2.95Å
314	I	89.1	Confident	87	Confident	24 Å²	24	50.5 Å²	50.5	12%	0.123	26%	0.26	C	S	.	.			trans	-113.9	121.7	172	-53.4	170.2	0	0	0	107.4	D259 L312 L355 Y359	D259-I314 HydrophobicContact CB-CD1 3.84Å; L312-I314 HydrophobicContact CD1-CG1 4.13Å; L312-I314 HydrophobicContact CD2-CD1 4.05Å; L312-I314 HydrophobicContact CD2-CG1 4.46Å; L312-I314 HydrophobicContact CG-CD1 4.14Å; L312-I314 HydrophobicContact CG-CG1 3.99Å; I314-L355 HydrophobicContact CD1-CD1 3.96Å; I314-L355 HydrophobicContact CD1-CD2 3.85Å; I314-L355 HydrophobicContact CG1-CD2 3.95Å; I314-L355 HydrophobicContact CG2-CD2 4.3Å; I314-Y359 HydrophobicContact CG2-CD2 3.71Å; I314-Y359 HydrophobicContact CG2-CE2 4.1Å
315	N	86	Confident	87.2	Confident	23 Å²	23	50.5 Å²	50.5	12%	0.123	26%	0.26	C	S	.	.	S	Bend	trans	-152.8	-174.7	-177	66.2	40.8	0	0	0	111.1	E313 H317 S321	E313-N315 VanDerWaalsContact CD-ND2 3.33Å; E313-N315 PolarHBondContact OE1-ND2 2.94Å; N315-H317 PolarHBondContact O-N 3.04Å; N315-H317 WeakPolarHBondContact OD1-CA 3.49Å; N315-H317 VanDerWaalsContact OD1-CB 3.23Å; N315-H317 WeakPolarHBondContact OD1-CB 3.26Å; N315-H317 PolarHBondContact OD1-N 2.97Å; N315-H317 PolarHBondContact OD1-O 3.42Å; N315-S321 PolarHBondContact N-OG 3.13Å; N315-S321 PolarHBondContact O-OG 3.48Å; N315-S321 VanDerWaalsContact O-OG 3.08Å; N315-S321 PolarHBondContact OD1-OG 3.46Å
316	H	83	Confident	87.3	Confident	74 Å²	74	50.7 Å²	50.7	34%	0.343	26%	0.261	S	S	.	.	S	Bend	trans	-69.6	-9.2	179.6	-65.4	-75.1	0	0	0	114.9	Y359 D360 C362	H316-Y359 AromaticContact CE1-CD1 3.86Å; H316-Y359 AromaticContact NE2-CD1 3.86Å; H316-D360 PolarHBondContact ND1-O 3.32Å; H316-C362 WeakPolarHBondContact O-CA 3.41Å; H316-C362 WeakPolarHBondContact O-CB 3.47Å; H316-C362 PolarHBondContact O-N 3.09Å; H316-C362 PolarHBondContact O-SG 3Å
317	H	84.6	Confident	87.4	Confident	62 Å²	62	55.6 Å²	55.6	29%	0.287	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-90.2	108.3	175.5	-62.8	-74.3	0	0	0	109.5	N315 D319 K320 S321 N366	N315-H317 PolarHBondContact O-N 3.04Å; N315-H317 WeakPolarHBondContact OD1-CA 3.49Å; N315-H317 VanDerWaalsContact OD1-CB 3.23Å; N315-H317 WeakPolarHBondContact OD1-CB 3.26Å; N315-H317 PolarHBondContact OD1-N 2.97Å; N315-H317 PolarHBondContact OD1-O 3.42Å; H317-D319 WeakPolarHBondContact CB-OD1 3.31Å; H317-D319 PolarHBondContact O-N 2.02Å; H317-K320 HydrophobicContact CB-CB 4.22Å; H317-K320 HydrophobicContact CB-CD 4.14Å; H317-K320 HydrophobicContact CB-CG 4.23Å; H317-K320 PolarHBondContact O-N 2.99Å; H317-S321 WeakPolarHBondContact O-CB 3.41Å; H317-S321 PolarHBondContact O-N 3.41Å; H317-S321 PolarHBondContact O-OG 3.34Å; H317-N366 PolarHBondContact CE1-OD1 2.85Å
318	A	84.4	Confident	87.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-39.9	-173.5	0	0	0	0	0	112.2	S321 L322 I361 C362 T363 L374 I389	A318-S321 PolarHBondContact O-N 2.94Å; A318-L322 WeakPolarHBondContact O-CB 3.45Å; A318-L322 PolarHBondContact O-N 2.8Å; A318-I361 HydrophobicContact CB-CB 4.22Å; A318-I361 HydrophobicContact CB-CD1 4.46Å; A318-I361 HydrophobicContact CB-CG1 4.45Å; A318-C362 PolarHBondContact N-O 3.27Å; A318-T363 HydrophobicContact CB-CG2 4.37Å; A318-L374 HydrophobicContact CB-CB 4.44Å; A318-L374 HydrophobicContact CB-CD2 3.71Å; A318-I389 HydrophobicContact CB-CD1 4.09Å; A318-I389 WeakPolarHBondContact O-CD1 3.4Å
319	D	83.8	Confident	87.7	Confident	78 Å²	78	47.5 Å²	47.5	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-58.4	-49	177.5	64	-39	0	0	0	112.5	H317 D323	H317-D319 WeakPolarHBondContact CB-OD1 3.31Å; H317-D319 PolarHBondContact O-N 2.02Å; D319-D323 WeakPolarHBondContact O-CB 3.32Å; D319-D323 PolarHBondContact O-N 3Å
320	K	86.1	Confident	87.6	Confident	104 Å²	104	50.8 Å²	50.8	45%	0.452	25%	0.254	S	S	.	.	H	α-helix	trans	-70	-41.4	179.4	-64.8	-176.4	179.8	-178.7	0	112.6	H317 L322 D323 S324	H317-K320 HydrophobicContact CB-CB 4.22Å; H317-K320 HydrophobicContact CB-CD 4.14Å; H317-K320 HydrophobicContact CB-CG 4.23Å; H317-K320 PolarHBondContact O-N 2.99Å; K320-L322 VanDerWaalsContact C-N 3.3Å; K320-L322 PolarHBondContact O-N 2.86Å; K320-D323 PolarHBondContact O-N 2.93Å; K320-S324 WeakPolarHBondContact O-CB 3.12Å; K320-S324 PolarHBondContact O-N 2.95Å
321	S	90.3	Very high	87.5	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-36.4	-179.5	-58.6	0	0	0	0	110.9	N315 H317 A318 F325	N315-S321 PolarHBondContact N-OG 3.13Å; N315-S321 PolarHBondContact O-OG 3.48Å; N315-S321 VanDerWaalsContact O-OG 3.08Å; N315-S321 PolarHBondContact OD1-OG 3.46Å; H317-S321 WeakPolarHBondContact O-CB 3.41Å; H317-S321 PolarHBondContact O-N 3.41Å; H317-S321 PolarHBondContact O-OG 3.34Å; A318-S321 PolarHBondContact O-N 2.94Å; S321-F325 WeakPolarHBondContact O-CB 3.35Å; S321-F325 PolarHBondContact O-N 2.99Å
322	L	91.4	Very high	86.9	Confident	11 Å²	11	42.3 Å²	42.3	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-65.6	-54.5	172	-178.2	62.9	0	0	0	111	A318 K320 S324 F325 C326 L374 C387 I389	A318-L322 WeakPolarHBondContact O-CB 3.45Å; A318-L322 PolarHBondContact O-N 2.8Å; K320-L322 VanDerWaalsContact C-N 3.3Å; K320-L322 PolarHBondContact O-N 2.86Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 3.35Å; L322-F325 PolarHBondContact O-N 3.49Å; L322-F325 VanDerWaalsContact O-N 3.1Å; L322-C326 VanDerWaalsContact CD1-SG 3.55Å; L322-C326 WeakPolarHBondContact O-CB 3.2Å; L322-C326 PolarHBondContact O-N 2.81Å; L322-C326 PolarHBondContact O-SG 2.99Å; L322-L374 HydrophobicContact CB-CD2 4.29Å; L322-L374 HydrophobicContact CD2-CB 4.37Å; L322-L374 HydrophobicContact CD2-CD2 3.94Å; L322-L374 HydrophobicContact CD2-CG 3.93Å; L322-C387 HydrophobicContact CD1-CB 4.44Å; L322-I389 HydrophobicContact CB-CD1 4.19Å; L322-I389 HydrophobicContact CB-CG1 4.3Å; L322-I389 HydrophobicContact CB-CG2 4.23Å; L322-I389 HydrophobicContact CD1-CG2 4.02Å
323	D	89.8	Confident	85.5	Confident	83 Å²	83	44 Å²	44	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-55.1	-43.8	179.1	176.6	79.6	0	0	0	112.8	D319 K320 K327	D319-D323 WeakPolarHBondContact O-CB 3.32Å; D319-D323 PolarHBondContact O-N 3Å; K320-D323 PolarHBondContact O-N 2.93Å; D323-K327 WeakPolarHBondContact O-CD 3.31Å; D323-K327 WeakPolarHBondContact O-CG 3.45Å; D323-K327 PolarHBondContact O-N 2.88Å; D323-K327 VanDerWaalsContact O-N 3.17Å; D323-K327 WeakPolarHBondContact OD1-CE 3.37Å; D323-K327 IonicContact OD1-NZ 3.66Å; D323-K327 PolarHBondContact OD1-NZ 3.27Å; D323-K327 IonicContact OD2-NZ 3.34Å; D323-K327 PolarHBondContact OD2-NZ 3.29Å
324	S	92.4	Very high	83.4	Confident	20 Å²	20	42.7 Å²	42.7	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-41.2	176.1	-168.7	0	0	0	0	112.4	N311 E313 K320 L322 K327 W328	N311-S324 PolarHBondContact O-OG 3.34Å; E313-S324 PolarHBondContact N-OG 2.95Å; K320-S324 WeakPolarHBondContact O-CB 3.12Å; K320-S324 PolarHBondContact O-N 2.95Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 3.35Å; S324-K327 PolarHBondContact O-N 2.83Å; S324-W328 VanDerWaalsContact O-CB 3.3Å; S324-W328 WeakPolarHBondContact O-CB 3.42Å; S324-W328 PolarHBondContact O-N 2.05Å
325	F	93.7	Very high	81.2	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-45.1	178.4	178.4	-116.5	0	0	0	111.9	V257 L312 S321 L322 K327 W328 Q329 A353 L355 C387 S388 I389	V257-F325 HydrophobicContact CB-CE2 4Å; V257-F325 HydrophobicContact CB-CZ 4.27Å; V257-F325 HydrophobicContact CG1-CE2 4.36Å; V257-F325 HydrophobicContact CG2-CE2 3.82Å; V257-F325 HydrophobicContact CG2-CZ 3.97Å; L312-F325 HydrophobicContact CD1-CB 4.16Å; L312-F325 HydrophobicContact CD1-CD2 4.16Å; S321-F325 WeakPolarHBondContact O-CB 3.35Å; S321-F325 PolarHBondContact O-N 2.99Å; L322-F325 PolarHBondContact O-N 3.49Å; L322-F325 VanDerWaalsContact O-N 3.1Å; F325-K327 VanDerWaalsContact C-N 3.29Å; F325-K327 PolarHBondContact O-N 3.2Å; F325-W328 HydrophobicContact CD2-CE3 4.09Å; F325-W328 HydrophobicContact CD2-CZ3 4.5Å; F325-W328 HydrophobicContact CE2-CE3 4.06Å; F325-W328 HydrophobicContact CE2-CZ3 4.08Å; F325-W328 PolarHBondContact O-N 2.74Å; F325-W328 VanDerWaalsContact O-N 3.17Å; F325-Q329 WeakPolarHBondContact O-CG 3.31Å; F325-Q329 PolarHBondContact O-N 2.97Å; F325-A353 HydrophobicContact CE1-CB 3.78Å; F325-A353 HydrophobicContact CZ-CB 3.8Å; F325-L355 HydrophobicContact CB-CD2 4.34Å; F325-L355 HydrophobicContact CD1-CB 3.84Å; F325-L355 HydrophobicContact CD2-CB 3.98Å; F325-L355 HydrophobicContact CD2-CD1 4.42Å; F325-L355 HydrophobicContact CD2-CD2 4.21Å; F325-L355 HydrophobicContact CD2-CG 4.44Å; F325-L355 HydrophobicContact CE1-CB 3.71Å; F325-L355 HydrophobicContact CE2-CB 3.86Å; F325-L355 HydrophobicContact CE2-CD1 4.33Å; F325-L355 HydrophobicContact CG-CB 3.97Å; F325-L355 HydrophobicContact CG-CD2 4.18Å; F325-L355 HydrophobicContact CZ-CB 3.72Å; F325-C387 HydrophobicContact CD1-CB 4.26Å; F325-C387 HydrophobicContact CE1-CB 4.4Å; F325-S388 WeakPolarHBondContact CE1-O 3.43Å; F325-I389 HydrophobicContact CB-CG2 4.19Å; F325-I389 HydrophobicContact CD1-CG2 4.13Å; F325-I389 HydrophobicContact CG-CG2 4.41Å
326	C	91.2	Very high	79.1	Confident	8 Å²	8	53.1 Å²	53.1	5%	0.054	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-38.1	176.3	-62.1	0	0	0	0	112.3	L322 Q329 E384 C387	L322-C326 VanDerWaalsContact CD1-SG 3.55Å; L322-C326 WeakPolarHBondContact O-CB 3.2Å; L322-C326 PolarHBondContact O-N 2.81Å; L322-C326 PolarHBondContact O-SG 2.99Å; C326-Q329 WeakPolarHBondContact O-CG 3.27Å; C326-Q329 PolarHBondContact O-NE2 3.01Å; C326-E384 WeakPolarHBondContact CB-O 3.26Å; C326-C387 HydrophobicContact CB-CB 4Å; C326-C387 WeakPolarHBondContact CB-SG 3.01Å; C326-C387 WeakPolarHBondContact SG-CB 3.13Å; C326-C387 CovalentContact SG-SG 2.02Å; C326-C387 PolarHBondContact SG-SG 3.25Å
327	K	89.9	Confident	76.5	Confident	121 Å²	121	52.9 Å²	52.9	53%	0.526	27%	0.273	S	S	.	.	H	α-helix	trans	-73.6	-38	174.9	-71.9	167.1	-172.5	165.5	0	112.7	D323 S324 F325 S331	D323-K327 WeakPolarHBondContact O-CD 3.31Å; D323-K327 WeakPolarHBondContact O-CG 3.45Å; D323-K327 PolarHBondContact O-N 2.88Å; D323-K327 VanDerWaalsContact O-N 3.17Å; D323-K327 WeakPolarHBondContact OD1-CE 3.37Å; D323-K327 IonicContact OD1-NZ 3.66Å; D323-K327 PolarHBondContact OD1-NZ 3.27Å; D323-K327 IonicContact OD2-NZ 3.34Å; D323-K327 PolarHBondContact OD2-NZ 3.29Å; S324-K327 PolarHBondContact O-N 2.83Å; F325-K327 VanDerWaalsContact C-N 3.29Å; F325-K327 PolarHBondContact O-N 3.2Å; K327-S331 PolarHBondContact O-N 3.27Å
328	W	89.6	Confident	73.9	Confident	11 Å²	11	57.5 Å²	57.5	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-46	179.6	179.6	86.3	0	0	0	112.7	W116 V257 I303 L305 Q309 L312 S324 F325 K330 S331 I332	W116-W328 HydrophobicContact CE3-CZ2 4.06Å; W116-W328 HydrophobicContact CH2-CZ2 4.48Å; W116-W328 AromaticContact CZ3-CZ2 3.78Å; W116-W328 HydrophobicContact CZ3-CZ2 3.78Å; V257-W328 HydrophobicContact CG1-CH2 4.18Å; V257-W328 HydrophobicContact CG1-CZ3 4.05Å; V257-W328 HydrophobicContact CG2-CZ3 4.12Å; I303-W328 HydrophobicContact CD1-CH2 4.47Å; I303-W328 HydrophobicContact CG2-CH2 4.45Å; L305-W328 HydrophobicContact CD2-CH2 4.2Å; L305-W328 HydrophobicContact CD2-CZ2 4.32Å; Q309-W328 HydrophobicContact CG-CZ2 4.23Å; L312-W328 HydrophobicContact CB-CB 4.33Å; L312-W328 HydrophobicContact CB-CD2 4.3Å; L312-W328 HydrophobicContact CB-CG 3.88Å; L312-W328 HydrophobicContact CD1-CB 4.02Å; L312-W328 HydrophobicContact CD1-CD2 4.34Å; L312-W328 HydrophobicContact CD1-CG 4.14Å; L312-W328 HydrophobicContact CD2-CD2 3.81Å; L312-W328 HydrophobicContact CD2-CE3 4.03Å; L312-W328 HydrophobicContact CD2-CG 4.25Å; L312-W328 HydrophobicContact CD2-CH2 4.31Å; L312-W328 HydrophobicContact CD2-CZ2 4.11Å; L312-W328 HydrophobicContact CD2-CZ3 4.27Å; L312-W328 HydrophobicContact CG-CD2 4.37Å; L312-W328 HydrophobicContact CG-CG 4.31Å; S324-W328 VanDerWaalsContact O-CB 3.3Å; S324-W328 WeakPolarHBondContact O-CB 3.42Å; S324-W328 PolarHBondContact O-N 2.05Å; F325-W328 HydrophobicContact CD2-CE3 4.09Å; F325-W328 HydrophobicContact CD2-CZ3 4.5Å; F325-W328 HydrophobicContact CE2-CE3 4.06Å; F325-W328 HydrophobicContact CE2-CZ3 4.08Å; F325-W328 PolarHBondContact O-N 2.74Å; F325-W328 VanDerWaalsContact O-N 3.17Å; W328-K330 PolarHBondContact O-N 3.35Å; W328-S331 PolarHBondContact O-N 3.49Å; W328-S331 PolarHBondContact O-OG 3.34Å; W328-I332 HydrophobicContact CD2-CD1 4.07Å; W328-I332 HydrophobicContact CE3-CD1 3.82Å; W328-I332 HydrophobicContact CH2-CD1 3.54Å; W328-I332 HydrophobicContact CZ2-CD1 3.79Å; W328-I332 HydrophobicContact CZ3-CD1 3.54Å; W328-I332 PolarHBondContact O-N 3.11Å
329	Q	88	Confident	71.3	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.014	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-32.8	177.6	65.2	77.1	33.6	0	0	112.3	L255 F325 C326 I332 H350 A353 P383	L255-Q329 HydrophobicContact CD2-CB 4.21Å; F325-Q329 WeakPolarHBondContact O-CG 3.31Å; F325-Q329 PolarHBondContact O-N 2.97Å; C326-Q329 WeakPolarHBondContact O-CG 3.27Å; C326-Q329 PolarHBondContact O-NE2 3.01Å; Q329-I332 PolarHBondContact O-N 3.3Å; Q329-H350 PolarHBondContact OE1-NE2 2.04Å; Q329-A353 HydrophobicContact CB-CB 3.96Å; Q329-A353 HydrophobicContact CG-CB 3.76Å; Q329-P383 PolarHBondContact NE2-O 3.35Å
330	K	83.8	Confident	68.7	Low	85 Å²	85	64.6 Å²	64.6	37%	0.37	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-36.2	174.1	-173.7	-175.3	175.9	-163.8	0	112.6	W328 I332 L333 S334 E384	W328-K330 PolarHBondContact O-N 3.35Å; K330-I332 VanDerWaalsContact C-N 3.3Å; K330-I332 PolarHBondContact O-N 2.83Å; K330-L333 PolarHBondContact O-N 2.79Å; K330-S334 PolarHBondContact O-N 3.28Å; K330-E384 HydrophobicContact CD-CG 3.7Å; K330-E384 IonicContact NZ-OE1 3.47Å; K330-E384 PolarHBondContact NZ-OE1 2.87Å
331	S	78.1	Confident	66	Low	42 Å²	42	64.6 Å²	64.6	29%	0.294	36%	0.362	S	S	.	.	H	α-helix	trans	-69	-31.1	179.1	76.2	0	0	0	0	112	K327 W328 L333 S334 H335	K327-S331 PolarHBondContact O-N 3.27Å; W328-S331 PolarHBondContact O-N 3.49Å; W328-S331 PolarHBondContact O-OG 3.34Å; S331-L333 PolarHBondContact O-N 2.93Å; S331-S334 PolarHBondContact O-N 3.1Å; S331-S334 VanDerWaalsContact O-N 3.1Å; S331-S334 PolarHBondContact O-OG 3.31Å; S331-H335 PolarHBondContact O-CD2 2.59Å; S331-H335 VanDerWaalsContact O-CD2 3.24Å; S331-H335 PolarHBondContact O-N 2.77Å
332	I	70.9	Confident	63.4	Low	12 Å²	12	72 Å²	72	6%	0.062	40%	0.4	C	S	.	.	H	α-helix	trans	-60.5	-44	174.7	-60.1	174.6	0	0	0	111.1	W116 I303 W328 Q329 K330 S334 H335	W116-I332 HydrophobicContact CH2-CD1 4.07Å; W116-I332 HydrophobicContact CH2-CG1 4.2Å; I303-I332 HydrophobicContact CD1-CD1 4.15Å; W328-I332 HydrophobicContact CD2-CD1 4.07Å; W328-I332 HydrophobicContact CE3-CD1 3.82Å; W328-I332 HydrophobicContact CH2-CD1 3.54Å; W328-I332 HydrophobicContact CZ2-CD1 3.79Å; W328-I332 HydrophobicContact CZ3-CD1 3.54Å; W328-I332 PolarHBondContact O-N 3.11Å; Q329-I332 PolarHBondContact O-N 3.3Å; K330-I332 VanDerWaalsContact C-N 3.3Å; K330-I332 PolarHBondContact O-N 2.83Å; I332-S334 VanDerWaalsContact C-N 3.26Å; I332-S334 PolarHBondContact O-N 2.84Å; I332-H335 PolarHBondContact O-N 3.44Å
333	L	59.2	Low	60.8	Low	50 Å²	50	74.5 Å²	74.5	26%	0.262	42%	0.417	S	S	.	.	H	α-helix	trans	-58.8	-38.5	174.7	-65.2	169.2	0	0	0	111.6	K330 S331 H335	K330-L333 PolarHBondContact O-N 2.79Å; S331-L333 PolarHBondContact O-N 2.93Å; L333-H335 VanDerWaalsContact C-N 3.29Å; L333-H335 PolarHBondContact O-N 3.17Å
334	S	45.8	Very low	58.2	Low	83 Å²	83	80.3 Å²	80.3	58%	0.58	44%	0.441	S	S	*	.	H	α-helix	trans	-72.2	-15.8	-178.9	72.8	0	0	0	0	115	K330 S331 I332	K330-S334 PolarHBondContact O-N 3.28Å; S331-S334 PolarHBondContact O-N 3.1Å; S331-S334 VanDerWaalsContact O-N 3.1Å; S331-S334 PolarHBondContact O-OG 3.31Å; I332-S334 VanDerWaalsContact C-N 3.26Å; I332-S334 PolarHBondContact O-N 2.84Å
335	H	42.6	Very low	55.6	Low	157 Å²	157	86.6 Å²	86.6	73%	0.727	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	6.8	-177	-80.7	-59.4	0	0	0	114.5	S331 I332 L333	S331-H335 PolarHBondContact O-CD2 2.59Å; S331-H335 VanDerWaalsContact O-CD2 3.24Å; S331-H335 PolarHBondContact O-N 2.77Å; I332-H335 PolarHBondContact O-N 3.44Å; L333-H335 VanDerWaalsContact C-N 3.29Å; L333-H335 PolarHBondContact O-N 3.17Å
336	Q	42	Very low	53.1	Low	109 Å²	109	88.4 Å²	88.4	51%	0.509	49%	0.491	S	S	.	.	S	Bend	trans	-126.5	2.1	-176.1	-68.9	-164.4	-47.9	0	0	117.2
337	S	29.6	Very low	50.7	Low	70 Å²	70	92.4 Å²	92.4	49%	0.49	51%	0.511	S	S	.	.			trans	-156.4	128.3	165.4	65.3	0	0	0	0	114
338	D	29.7	Very low	48.8	Very low	158 Å²	158	88.8 Å²	88.8	85%	0.845	50%	0.504	S	S	*	.	S	Bend	trans	-61.2	150	145.6	-84.7	-54	0	0	0	109.1
339	G	29	Very low	47.7	Very low	63 Å²	63	93 Å²	93	65%	0.649	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	150.3	-158.6	0	0	0	0	0	117.3	T341	G339-T341 PolarHBondContact O-N 2.78Å
340	N	29.3	Very low	47.2	Very low	164 Å²	164	93.5 Å²	93.5	88%	0.877	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	20.3	162.9	-63.1	-8.1	0	0	0	118.1
341	T	29	Very low	47.4	Very low	105 Å²	105	89.8 Å²	89.8	64%	0.644	51%	0.511	S	S	*	.			trans	-114.6	125	160	48.8	0	0	0	0	111.3	G339 P343	G339-T341 PolarHBondContact O-N 2.78Å; T341-P343 WeakPolarHBondContact O-CD 3.32Å
342	I	36.3	Very low	48	Very low	157 Å²	157	87.8 Å²	87.8	81%	0.805	50%	0.497	S	S	*	.			trans	-64.9	123.8	166	-58.4	172.3	0	0	0	106.4	E344	I342-E344 PolarHBondContact O-N 2.73Å
343	P	36	Very low	49.1	Very low	64 Å²	64	87.2 Å²	87.2	42%	0.416	49%	0.494	S	S	.	.			trans	-60.5	131.4	177.6	-23.5	33.9	0	0	0	110.5	T341 N345 G346	T341-P343 WeakPolarHBondContact O-CD 3.32Å; P343-N345 PolarHBondContact O-N 3.03Å; P343-G346 PolarHBondContact O-N 3.44Å
344	E	36.6	Very low	50.8	Low	205 Å²	205	84.9 Å²	84.9	96%	0.958	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-7.9	-176.7	-63.9	-174.4	120.8	0	0	114.2	I342	I342-E344 PolarHBondContact O-N 2.73Å
345	N	37.4	Very low	53.2	Low	152 Å²	152	81 Å²	81	81%	0.813	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-15.4	175.6	-59.9	-36.5	0	0	0	114.2	P343	P343-N345 PolarHBondContact O-N 3.03Å
346	G	40.4	Very low	55.7	Low	37 Å²	37	73.6 Å²	73.6	38%	0.381	42%	0.42	S	S	.	.			trans	67.9	42.6	161.9	0	0	0	0	0	118.9	P343	P343-G346 PolarHBondContact O-N 3.44Å
347	I	41.8	Very low	58.1	Low	92 Å²	92	68.5 Å²	68.5	47%	0.472	40%	0.396	S	S	.	.			trans	-176.3	130.9	148.6	-96.5	149.2	0	0	0	109.3	P469	I347-P469 HydrophobicContact CD1-CG 4Å
348	A	50.9	Low	60.9	Low	46 Å²	46	67.9 Å²	67.9	38%	0.38	38%	0.383	S	S	.	.			trans	-168.6	23.4	161.8	0	0	0	0	0	112.5
349	H	65.5	Low	63.5	Low	98 Å²	98	62.4 Å²	62.4	45%	0.454	35%	0.351	S	S	.	.			trans	-104.4	157.5	179.7	-177.1	-97.9	0	0	0	109.9	E253 D351	E253-H349 IonicContact OE2-CG 3.23Å; E253-H349 IonicContact OE2-ND1 3.13Å; E253-H349 PolarHBondContact OE2-ND1 3.3Å; H349-D351 IonicContact CE1-OD1 3.98Å; H349-D351 PolarHBondContact CE1-OD1 3.12Å; H349-D351 IonicContact ND1-OD1 3.17Å
350	H	78.1	Confident	66	Low	14 Å²	14	61.6 Å²	61.6	7%	0.065	33%	0.332	C	S	.	.			trans	-150.1	140.5	169.4	65.5	-103.4	0	0	0	110.4	E253 L255 Q329	E253-H350 CarbonylContact O-C 3.39Å; E253-H350 WeakPolarHBondContact O-CA 3.45Å; E253-H350 WeakPolarHBondContact O-CB 3.29Å; L255-H350 HydrophobicContact CB-CB 4.01Å; Q329-H350 PolarHBondContact OE1-NE2 2.04Å
351	D	86.4	Confident	68.5	Low	8 Å²	8	53.8 Å²	53.8	4%	0.043	29%	0.29	C	S	.	.	S	Bend	trans	-84.1	-29.8	179.9	-56.3	-46.6	0	0	0	112.2	V252 E253 H349 S386 L464	V252-D351 HydrophobicContact CG1-CB 4.42Å; E253-D351 WeakPolarHBondContact CB-OD2 3.09Å; E253-D351 PolarHBondContact N-OD2 3.41Å; E253-D351 PolarHBondContact O-N 2.68Å; H349-D351 IonicContact CE1-OD1 3.98Å; H349-D351 PolarHBondContact CE1-OD1 3.12Å; H349-D351 IonicContact ND1-OD1 3.17Å; D351-S386 WeakPolarHBondContact O-CB 3.35Å; D351-S386 PolarHBondContact O-OG 2.84Å; D351-L464 HydrophobicContact CB-CD2 3.81Å
352	N	91.8	Very high	70.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147.2	-173.7	173.5	84.6	0	0	0	111.4	V252 E253 T254 L255 M380 S386 N408	V252-N352 HydrophobicContact CG1-CB 3.9Å; E253-N352 PolarHBondContact O-N 3.08Å; T254-N352 WeakPolarHBondContact CA-O 3.3Å; L255-N352 PolarHBondContact N-O 2.73Å; N352-M380 HydrophobicContact CB-CE 3.89Å; N352-M380 HydrophobicContact CB-SD 3.99Å; N352-S386 CarbonylContact C-O 3.51Å; N352-S386 WeakPolarHBondContact CA-O 3.23Å; N352-S386 WeakPolarHBondContact CA-OG 3.42Å; N352-N408 PolarHBondContact OD1-ND2 2.81Å
353	A	93.1	Very high	72.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.2	178.6	0	0	0	0	0	112.8	L255 F325 Q329 S386 C387 S388	L255-A353 HydrophobicContact CB-CB 4.43Å; L255-A353 HydrophobicContact CD2-CB 4.47Å; L255-A353 CarbonylContact O-C 3.55Å; L255-A353 WeakPolarHBondContact O-CA 3.46Å; F325-A353 HydrophobicContact CE1-CB 3.78Å; F325-A353 HydrophobicContact CZ-CB 3.8Å; Q329-A353 HydrophobicContact CB-CB 3.96Å; Q329-A353 HydrophobicContact CG-CB 3.76Å; A353-S386 PolarHBondContact N-O 2.03Å; A353-C387 CarbonylContact O-C 3.55Å; A353-C387 VanDerWaalsContact O-CA 3.29Å; A353-C387 WeakPolarHBondContact O-CA 3.31Å; A353-S388 PolarHBondContact O-N 2.8Å
354	V	95.9	Very high	73.3	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	114.4	-179.2	177.7	0	0	0	0	109.3	T254 L255 V257 I356 I401 I405	T254-V354 HydrophobicContact CG2-CB 4.41Å; T254-V354 HydrophobicContact CG2-CG2 3.69Å; L255-V354 PolarHBondContact O-N 3.35Å; V257-V354 PolarHBondContact N-O 2.84Å; V354-I356 HydrophobicContact CG1-CG1 4.05Å; V354-I401 HydrophobicContact CG1-CD1 4.23Å; V354-I401 HydrophobicContact CG1-CG1 4.02Å; V354-I401 HydrophobicContact CG1-CG2 3.81Å; V354-I401 HydrophobicContact CG2-CG2 4.16Å; V354-I405 HydrophobicContact CG2-CD1 4.1Å; V354-I405 HydrophobicContact CG2-CG1 4.41Å
355	L	96.3	Very high	74.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.9	166.9	-179.3	65.3	0	0	0	109.9	V257 I314 F325 S388 I389 N390	V257-L355 HydrophobicContact CB-CD1 4.09Å; V257-L355 HydrophobicContact CG1-CD1 3.96Å; V257-L355 CarbonylContact O-C 3.59Å; V257-L355 WeakPolarHBondContact O-CA 3.37Å; I314-L355 HydrophobicContact CD1-CD1 3.96Å; I314-L355 HydrophobicContact CD1-CD2 3.85Å; I314-L355 HydrophobicContact CG1-CD2 3.95Å; I314-L355 HydrophobicContact CG2-CD2 4.3Å; F325-L355 HydrophobicContact CB-CD2 4.34Å; F325-L355 HydrophobicContact CD1-CB 3.84Å; F325-L355 HydrophobicContact CD2-CB 3.98Å; F325-L355 HydrophobicContact CD2-CD1 4.42Å; F325-L355 HydrophobicContact CD2-CD2 4.21Å; F325-L355 HydrophobicContact CD2-CG 4.44Å; F325-L355 HydrophobicContact CE1-CB 3.71Å; F325-L355 HydrophobicContact CE2-CB 3.86Å; F325-L355 HydrophobicContact CE2-CD1 4.33Å; F325-L355 HydrophobicContact CG-CB 3.97Å; F325-L355 HydrophobicContact CG-CD2 4.18Å; F325-L355 HydrophobicContact CZ-CB 3.72Å; L355-S388 PolarHBondContact N-O 2.96Å; L355-I389 HydrophobicContact CB-CB 4.4Å; L355-I389 HydrophobicContact CB-CG2 4.04Å; L355-I389 HydrophobicContact CD2-CB 4.37Å; L355-I389 HydrophobicContact CD2-CG2 3.85Å; L355-I389 HydrophobicContact CG-CG2 4.5Å; L355-N390 WeakPolarHBondContact O-CB 3.5Å; L355-N390 PolarHBondContact O-N 2.82Å; L355-N390 PolarHBondContact O-ND2 2.85Å
356	I	95.1	Very high	75	Confident	2 Å²	2	43 Å²	43	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.7	174.1	-48.8	178.9	0	0	0	108.5	V256 V257 D259 M262 I275 V354 N390 D392 I401	V256-I356 HydrophobicContact CG1-CD1 3.9Å; V256-I356 HydrophobicContact CG1-CG1 4.47Å; V257-I356 PolarHBondContact O-N 3.48Å; D259-I356 PolarHBondContact N-O 3.33Å; M262-I356 HydrophobicContact CE-CB 4.42Å; M262-I356 HydrophobicContact CE-CG2 3.57Å; M262-I356 HydrophobicContact CG-CG2 4.45Å; M262-I356 WeakPolarHBondContact CG-O 3.39Å; M262-I356 HydrophobicContact SD-CG2 3.84Å; I275-I356 HydrophobicContact CG2-CD1 4.21Å; V354-I356 HydrophobicContact CG1-CG1 4.05Å; I356-N390 WeakPolarHBondContact CA-O 3.38Å; I356-D392 HydrophobicContact CG2-CB 3.86Å; I356-I401 HydrophobicContact CD1-CD1 3.78Å; I356-I401 HydrophobicContact CG1-CD1 4.07Å
357	T	92.8	Very high	75.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154	-172.6	177.9	0	0	0	0	113	D259 Y359 I361 N390 E391 D392	D259-T357 VanDerWaalsContact OD2-CB 3.32Å; D259-T357 WeakPolarHBondContact OD2-CB 3.43Å; D259-T357 PolarHBondContact OD2-OG1 2.93Å; T357-Y359 VanDerWaalsContact OG1-CD2 3.32Å; T357-Y359 WeakPolarHBondContact OG1-CD2 3.36Å; T357-Y359 PolarHBondContact OG1-N 3.04Å; T357-I361 HydrophobicContact CG2-CG2 4.4Å; T357-N390 WeakPolarHBondContact CG2-O 3.24Å; T357-N390 PolarHBondContact N-O 2.8Å; T357-E391 CarbonylContact O-C 3.58Å; T357-E391 WeakPolarHBondContact O-CA 3.47Å; T357-D392 WeakPolarHBondContact O-CB 3.45Å; T357-D392 PolarHBondContact O-N 3.25Å
358	R	87.3	Confident	75.8	Confident	57 Å²	57	49.4 Å²	49.4	22%	0.215	24%	0.244	C	C	.	.			trans	-101.1	21.9	166.7	-69.7	-76.3	-89.7	175.1	-11.8	113.1	M261 M262 Y265 D392 F492	M261-R358 HydrophobicContact CB-CB 3.97Å; M262-R358 HydrophobicContact SD-CG 3.77Å; Y265-R358 HydrophobicContact CG-CG 4.47Å; Y265-R358 PolarHBondContact OH-NH2 3.07Å; Y265-R358 VanDerWaalsContact OH-NH2 3.13Å; R358-D392 WeakPolarHBondContact CD-O 3.42Å; R358-D392 HydrophobicContact CG-CB 4.14Å; R358-D392 PolarHBondContact NH1-O 2.82Å; R358-F492 PolarHBondContact NH2-O 2.87Å
359	Y	85.6	Confident	76.4	Confident	43 Å²	43	48.8 Å²	48.8	17%	0.169	24%	0.237	C	C	.	.	S	Bend	trans	-75.6	132.8	161.1	-78.4	-78.4	0	0	0	110.1	D259 M261 I314 H316 T357 I361 E391	D259-Y359 WeakPolarHBondContact OD2-CD2 3.02Å; M261-Y359 HydrophobicContact CG-CD2 3.99Å; M261-Y359 HydrophobicContact CG-CE2 3.61Å; I314-Y359 HydrophobicContact CG2-CD2 3.71Å; I314-Y359 HydrophobicContact CG2-CE2 4.1Å; H316-Y359 AromaticContact CE1-CD1 3.86Å; H316-Y359 AromaticContact NE2-CD1 3.86Å; T357-Y359 VanDerWaalsContact OG1-CD2 3.32Å; T357-Y359 WeakPolarHBondContact OG1-CD2 3.36Å; T357-Y359 PolarHBondContact OG1-N 3.04Å; Y359-I361 WeakPolarHBondContact O-CG2 3.25Å; Y359-I361 PolarHBondContact O-N 3Å; Y359-E391 WeakPolarHBondContact O-CG 3.47Å
360	D	80.3	Confident	76.3	Confident	46 Å²	46	45.5 Å²	45.5	25%	0.246	23%	0.229	C	C	.	.			trans	-69.9	94.4	171.5	160.4	38.3	0	0	0	108.6	H316 C362 K367 C369 E391	H316-D360 PolarHBondContact ND1-O 3.32Å; D360-C362 PolarHBondContact O-SG 3.16Å; D360-C362 VanDerWaalsContact O-SG 3.39Å; D360-K367 WeakPolarHBondContact OD2-CE 3.26Å; D360-K367 IonicContact OD2-NZ 3.74Å; D360-K367 PolarHBondContact OD2-NZ 3.28Å; D360-C369 WeakPolarHBondContact OD1-CB 3.3Å; D360-E391 WeakPolarHBondContact CA-OE2 3.48Å
361	I	82.6	Confident	76.1	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.228	C	C	.	.			trans	-91.6	142.6	-165.5	69.8	-177.7	0	0	0	113.9	A318 T357 Y359 C369 T371 I389 E391	A318-I361 HydrophobicContact CB-CB 4.22Å; A318-I361 HydrophobicContact CB-CD1 4.46Å; A318-I361 HydrophobicContact CB-CG1 4.45Å; T357-I361 HydrophobicContact CG2-CG2 4.4Å; Y359-I361 WeakPolarHBondContact O-CG2 3.25Å; Y359-I361 PolarHBondContact O-N 3Å; I361-C369 WeakPolarHBondContact O-CB 3.21Å; I361-T371 WeakPolarHBondContact CG1-O 3.49Å; I361-I389 HydrophobicContact CD1-CD1 4.09Å; I361-I389 HydrophobicContact CD1-CG1 4.21Å; I361-E391 HydrophobicContact CD1-CB 4.38Å; I361-E391 HydrophobicContact CG1-CB 4.27Å; I361-E391 PolarHBondContact N-OE2 2.03Å; I361-E391 VanDerWaalsContact N-OE2 3.14Å
362	C	79	Confident	75.9	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.027	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-135	129.9	-164.8	-43.6	0	0	0	0	111.1	H316 A318 D360 K365 C369	H316-C362 WeakPolarHBondContact O-CA 3.41Å; H316-C362 WeakPolarHBondContact O-CB 3.47Å; H316-C362 PolarHBondContact O-N 3.09Å; H316-C362 PolarHBondContact O-SG 3Å; A318-C362 PolarHBondContact N-O 3.27Å; D360-C362 PolarHBondContact O-SG 3.16Å; D360-C362 VanDerWaalsContact O-SG 3.39Å; C362-K365 WeakPolarHBondContact CB-O 3.35Å; C362-C369 HydrophobicContact CB-CB 3.87Å; C362-C369 WeakPolarHBondContact CB-SG 3.45Å; C362-C369 WeakPolarHBondContact SG-CB 3.48Å; C362-C369 CovalentContact SG-SG 2.03Å; C362-C369 PolarHBondContact SG-SG 3.34Å
363	T	64.9	Low	75.7	Confident	35 Å²	35	45.5 Å²	45.5	22%	0.215	23%	0.23	C	C	.	.	S	Bend	trans	-85.3	-35.3	175.1	36.3	0	0	0	0	114	A318 T371 L374	A318-T363 HydrophobicContact CB-CG2 4.37Å; T363-T371 HydrophobicContact CG2-CG2 3.96Å; T363-T371 PolarHBondContact OG1-OG1 3.31Å; T363-L374 HydrophobicContact CG2-CD1 4.16Å
364	Y	57.6	Low	75.5	Confident	145 Å²	145	45.5 Å²	45.5	57%	0.569	23%	0.23	S	C	*	.	S	Bend	trans	-135	-19.7	-169.5	-64.9	-72.5	0	0	0	117.6	D211	D211-Y364 PolarHBondContact O-OH 3.12Å
365	K	53.9	Low	75.2	Confident	159 Å²	159	45.7 Å²	45.7	69%	0.691	23%	0.231	S	C	*	.			trans	-151.1	144.2	179.8	-68.4	-173	-177.8	174.7	0	112.3	C362 K367 C369	C362-K365 WeakPolarHBondContact CB-O 3.35Å; K365-K367 PolarHBondContact O-N 3.46Å; K365-K367 VanDerWaalsContact O-N 3.07Å; K365-C369 PolarHBondContact O-SG 3.24Å
366	N	55.2	Low	74.7	Confident	112 Å²	112	46.8 Å²	46.8	60%	0.599	24%	0.239	S	C	*	.	S	Bend	trans	-76.3	10.9	-174	-61.6	25.5	0	0	0	115.6	H317	H317-N366 PolarHBondContact CE1-OD1 2.85Å
367	K	50.3	Low	74.3	Confident	137 Å²	137	48.9 Å²	48.9	60%	0.596	25%	0.252	S	S	*	.	S	Bend	trans	169	158.3	156.6	-98.4	152.2	-174.5	170	0	113.3	D360 K365	D360-K367 WeakPolarHBondContact OD2-CE 3.26Å; D360-K367 IonicContact OD2-NZ 3.74Å; D360-K367 PolarHBondContact OD2-NZ 3.28Å; K365-K367 PolarHBondContact O-N 3.46Å; K365-K367 VanDerWaalsContact O-N 3.07Å
368	P	49.4	Very low	74	Confident	127 Å²	127	49.4 Å²	49.4	83%	0.825	26%	0.257	S	S	*	.	S	Bend	cis	-68.3	148.8	-19.4	32.1	-34.4	0	0	0	110.1
369	C	62.9	Low	73.9	Confident	34 Å²	34	46.7 Å²	46.7	23%	0.23	25%	0.247	C	C	.	.			trans	-102.7	167.5	177.8	-51.6	0	0	0	0	110.6	D360 I361 C362 K365	D360-C369 WeakPolarHBondContact OD1-CB 3.3Å; I361-C369 WeakPolarHBondContact O-CB 3.21Å; C362-C369 HydrophobicContact CB-CB 3.87Å; C362-C369 WeakPolarHBondContact CB-SG 3.45Å; C362-C369 WeakPolarHBondContact SG-CB 3.48Å; C362-C369 CovalentContact SG-SG 2.03Å; C362-C369 PolarHBondContact SG-SG 3.34Å; K365-C369 PolarHBondContact O-SG 3.24Å
370	G	63.7	Low	74.1	Confident	28 Å²	28	44.7 Å²	44.7	29%	0.289	24%	0.239	S	C	.	.			trans	-175.8	43.8	-164.4	0	0	0	0	0	110.4	H206 C207	H206-G370 CarbonylContact C-O 2.96Å; H206-G370 CarbonylContact O-C 3.55Å; C207-G370 CarbonylContact C-O 3.59Å; C207-G370 VanDerWaalsContact CA-O 3.29Å; C207-G370 WeakPolarHBondContact CA-O 3.44Å; C207-G370 PolarHBondContact N-O 3.29Å
371	T	74.6	Confident	74.3	Confident	8 Å²	8	44 Å²	44	5%	0.049	24%	0.237	C	C	.	.			trans	-129.8	104.2	177.7	-62.7	0	0	0	0	105.6	I361 T363 G373	I361-T371 WeakPolarHBondContact CG1-O 3.49Å; T363-T371 HydrophobicContact CG2-CG2 3.96Å; T363-T371 PolarHBondContact OG1-OG1 3.31Å; T371-G373 WeakPolarHBondContact CG2-O 3.41Å
372	L	81.9	Confident	74.4	Confident	13 Å²	13	47 Å²	47	7%	0.068	25%	0.251	C	S	.	.			trans	-83	-22.3	-176.4	-66	170.8	0	0	0	112.8	H206 C207 N390 E391 I393 T400	H206-L372 WeakPolarHBondContact O-CD1 3.25Å; H206-L372 WeakPolarHBondContact O-CG 3.4Å; C207-L372 WeakPolarHBondContact SG-CD1 2.76Å; L372-N390 CarbonylContact O-C 3.59Å; L372-E391 HydrophobicContact CD2-CB 4.37Å; L372-E391 HydrophobicContact CD2-CG 4.5Å; L372-E391 PolarHBondContact O-N 3.41Å; L372-I393 HydrophobicContact CD1-CD1 3.46Å; L372-I393 VanDerWaalsContact CD1-CD1 3.46Å; L372-I393 HydrophobicContact CD2-CD1 4.05Å; L372-I393 HydrophobicContact CD2-CG2 3.6Å; L372-I393 HydrophobicContact CG-CD1 4.19Å; L372-T400 VanDerWaalsContact C-CG2 3.46Å; L372-T400 HydrophobicContact CB-CG2 3.89Å; L372-T400 VanDerWaalsContact O-CG2 3.32Å; L372-T400 WeakPolarHBondContact O-CG2 3.35Å
373	G	86.9	Confident	74.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	165.8	-179.3	0	0	0	0	0	112	T371 I389 E404	T371-G373 WeakPolarHBondContact CG2-O 3.41Å; G373-I389 CarbonylContact C-O 3.45Å; G373-I389 VanDerWaalsContact CA-O 3.29Å; G373-I389 WeakPolarHBondContact CA-O 3.29Å; G373-E404 VanDerWaalsContact C-CD 3.45Å; G373-E404 WeakPolarHBondContact CA-OE1 2.99Å
374	L	89.2	Confident	75	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	134	169.3	-158	69.7	0	0	0	112	S210 A318 L322 T363 S388 I389 E404	S210-L374 VanDerWaalsContact N-CD1 3.31Å; A318-L374 HydrophobicContact CB-CB 4.44Å; A318-L374 HydrophobicContact CB-CD2 3.71Å; L322-L374 HydrophobicContact CB-CD2 4.29Å; L322-L374 HydrophobicContact CD2-CB 4.37Å; L322-L374 HydrophobicContact CD2-CD2 3.94Å; L322-L374 HydrophobicContact CD2-CG 3.93Å; T363-L374 HydrophobicContact CG2-CD1 4.16Å; L374-S388 CarbonylContact O-C 3.33Å; L374-S388 WeakPolarHBondContact O-CA 3.09Å; L374-I389 HydrophobicContact CB-CD1 4.27Å; L374-I389 HydrophobicContact CB-CG1 3.81Å; L374-I389 PolarHBondContact N-O 2.81Å; L374-I389 PolarHBondContact O-N 2.79Å; L374-E404 VanDerWaalsContact CA-OE2 3.29Å; L374-E404 WeakPolarHBondContact CA-OE2 3.35Å; L374-E404 VanDerWaalsContact N-CD 3.35Å; L374-E404 PolarHBondContact N-OE2 3.32Å
375	A	90.8	Very high	76.4	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	171.4	176.9	0	0	0	0	0	113.3	E404 H407	A375-E404 HydrophobicContact CB-CB 3.89Å; A375-E404 VanDerWaalsContact CB-O 3.27Å; A375-E404 WeakPolarHBondContact CB-O 3.38Å; A375-E404 WeakPolarHBondContact CB-OE2 3Å; A375-E404 PolarHBondContact N-OE2 3.4Å; A375-H407 HydrophobicContact CB-CB 4.08Å
376	S	85.7	Confident	78.2	Confident	25 Å²	25	45.1 Å²	45.1	18%	0.175	25%	0.25	C	C	.	.			trans	-87.1	119.5	175.7	-93.9	0	0	0	0	111.4	A378 G379 R385 N408	S376-A378 PolarHBondContact O-N 3.05Å; S376-A378 VanDerWaalsContact O-N 3.09Å; S376-G379 PolarHBondContact O-N 2.97Å; S376-R385 WeakPolarHBondContact CB-O 3.24Å; S376-R385 PolarHBondContact OG-NE 2.55Å; S376-N408 PolarHBondContact N-OD1 2.9Å; S376-N408 WeakPolarHBondContact O-CA 3.49Å; S376-N408 PolarHBondContact O-OD1 2.81Å
377	V	86.1	Confident	80	Confident	46 Å²	46	39.8 Å²	39.8	28%	0.279	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	122.4	173	-175	0	0	0	0	110.4	G379 R385 H407	V377-G379 PolarHBondContact O-N 2.95Å; V377-R385 PolarHBondContact O-NH2 2.62Å; V377-H407 CarbonylContact C-O 3.59Å; V377-H407 WeakPolarHBondContact CA-O 3.43Å
378	A	85.4	Confident	82.1	Confident	13 Å²	13	33.2 Å²	33.2	11%	0.107	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	32.4	-176	0	0	0	0	0	115.8	S376 H407 N408 F455 R460	S376-A378 PolarHBondContact O-N 3.05Å; S376-A378 VanDerWaalsContact O-N 3.09Å; A378-H407 PolarHBondContact N-O 3.17Å; A378-N408 CarbonylContact C-O 3.48Å; A378-N408 VanDerWaalsContact CA-O 3.22Å; A378-N408 WeakPolarHBondContact CA-O 3.32Å; A378-F455 HydrophobicContact CB-CD2 4.37Å; A378-F455 HydrophobicContact CB-CE2 4.21Å; A378-R460 VanDerWaalsContact CB-NH1 3.28Å; A378-R460 PolarHBondContact O-NH2 2.79Å
379	G	86.3	Confident	84.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.			trans	-79	-6	179.1	0	0	0	0	0	117.3	S376 V377 E382 R385 S386 N408	S376-G379 PolarHBondContact O-N 2.97Å; V377-G379 PolarHBondContact O-N 2.95Å; G379-E382 WeakPolarHBondContact O-CB 3Å; G379-E382 PolarHBondContact O-N 3.34Å; G379-R385 CarbonylContact O-C 3.54Å; G379-S386 VanDerWaalsContact O-CA 3.22Å; G379-S386 WeakPolarHBondContact O-CA 3.38Å; G379-S386 VanDerWaalsContact O-CB 3.24Å; G379-S386 WeakPolarHBondContact O-CB 3.41Å; G379-S386 PolarHBondContact O-N 2.98Å; G379-S386 VanDerWaalsContact O-N 3.1Å; G379-N408 PolarHBondContact N-O 3.4Å; G379-N408 VanDerWaalsContact N-O 3.13Å
380	M	89.8	Confident	85.8	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	139.7	-177.6	-176.1	62.9	65.5	0	0	112	V252 N352 E382 S386 I405 N408 F409 F455 L464	V252-M380 HydrophobicContact CG1-CE 3.92Å; V252-M380 HydrophobicContact CG1-SD 4.07Å; N352-M380 HydrophobicContact CB-CE 3.89Å; N352-M380 HydrophobicContact CB-SD 3.99Å; M380-E382 PolarHBondContact O-N 2.51Å; M380-S386 WeakPolarHBondContact CA-OG 3.48Å; M380-I405 HydrophobicContact CE-CG2 3.92Å; M380-N408 HydrophobicContact CB-CB 4.32Å; M380-N408 WeakPolarHBondContact CB-O 3.36Å; M380-N408 HydrophobicContact CE-CB 4.18Å; M380-N408 PolarHBondContact N-O 3.34Å; M380-F409 HydrophobicContact CB-CD1 4.46Å; M380-F409 HydrophobicContact CE-CD2 4.25Å; M380-F409 HydrophobicContact CE-CE1 4.46Å; M380-F409 HydrophobicContact CE-CE2 3.89Å; M380-F409 HydrophobicContact CE-CZ 4.01Å; M380-F409 HydrophobicContact CG-CD1 4.23Å; M380-F409 HydrophobicContact CG-CE1 3.98Å; M380-F409 HydrophobicContact CG-CZ 4.39Å; M380-F455 HydrophobicContact CB-CE1 4.04Å; M380-F455 HydrophobicContact CB-CZ 3.74Å; M380-F455 HydrophobicContact CG-CE1 4.25Å; M380-F455 HydrophobicContact CG-CZ 4.38Å; M380-L464 HydrophobicContact CG-CD1 4.06Å; M380-L464 HydrophobicContact CG-CD2 4.46Å; M380-L464 HydrophobicContact SD-CD2 4.09Å
381	C	85	Confident	87	Confident	32 Å²	32	25.9 Å²	25.9	22%	0.216	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	3.5	-170.1	-56.8	0	0	0	0	116.5	P383 S386 R460 C463	C381-P383 WeakPolarHBondContact O-CD 3.4Å; C381-S386 PolarHBondContact N-OG 2.87Å; C381-R460 WeakPolarHBondContact CB-O 3.45Å; C381-C463 WeakPolarHBondContact CA-SG 3.22Å; C381-C463 HydrophobicContact CB-CB 3.89Å; C381-C463 WeakPolarHBondContact CB-SG 3.35Å; C381-C463 WeakPolarHBondContact SG-CB 3.28Å; C381-C463 PolarHBondContact SG-N 3.17Å; C381-C463 VanDerWaalsContact SG-N 3.39Å; C381-C463 CovalentContact SG-SG 2.03Å; C381-C463 PolarHBondContact SG-SG 2.89Å
382	E	83.3	Confident	87.6	Confident	64 Å²	64	25.5 Å²	25.5	30%	0.299	14%	0.135	S	C	.	.			trans	-98.4	111.2	174.7	-64	179.8	-172.1	0	0	109.6	G379 M380 E384 R385 S386 R460	G379-E382 WeakPolarHBondContact O-CB 3Å; G379-E382 PolarHBondContact O-N 3.34Å; M380-E382 PolarHBondContact O-N 2.51Å; E382-E384 PolarHBondContact O-N 3.47Å; E382-R385 HydrophobicContact CB-CB 4.16Å; E382-R385 CarbonylContact O-C 3.58Å; E382-R385 PolarHBondContact O-N 3.27Å; E382-R385 IonicContact OE2-NH1 3Å; E382-S386 WeakPolarHBondContact O-CB 3.3Å; E382-S386 PolarHBondContact O-N 3.27Å; E382-R460 IonicContact OE1-CZ 2.72Å; E382-R460 IonicContact OE1-NE 2.64Å; E382-R460 IonicContact OE1-NH2 3.74Å; E382-R460 PolarHBondContact OE1-NH2 2.86Å
383	P	77.1	Confident	87.5	Confident	79 Å²	79	25.2 Å²	25.2	51%	0.513	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-8.8	-168.3	-27.8	36.5	0	0	0	117.3	Q329 C381	Q329-P383 PolarHBondContact NE2-O 3.35Å; C381-P383 WeakPolarHBondContact O-CD 3.4Å
384	E	80.6	Confident	87.3	Confident	119 Å²	119	25.2 Å²	25.2	56%	0.556	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-4.4	174.6	-69.8	-179.8	-172.1	0	0	113.2	C326 K330 E382	C326-E384 WeakPolarHBondContact CB-O 3.26Å; K330-E384 HydrophobicContact CD-CG 3.7Å; K330-E384 IonicContact NZ-OE1 3.47Å; K330-E384 PolarHBondContact NZ-OE1 2.87Å; E382-E384 PolarHBondContact O-N 3.47Å
385	R	85.8	Confident	86.8	Confident	101 Å²	101	25.4 Å²	25.4	38%	0.381	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-10.6	-171	-64.1	-177.5	68.2	-163.6	-0.7	114.8	S376 V377 G379 E382 C387 N408	S376-R385 WeakPolarHBondContact CB-O 3.24Å; S376-R385 PolarHBondContact OG-NE 2.55Å; V377-R385 PolarHBondContact O-NH2 2.62Å; G379-R385 CarbonylContact O-C 3.54Å; E382-R385 HydrophobicContact CB-CB 4.16Å; E382-R385 CarbonylContact O-C 3.58Å; E382-R385 PolarHBondContact O-N 3.27Å; E382-R385 IonicContact OE2-NH1 3Å; R385-C387 VanDerWaalsContact CA-SG 3.59Å; R385-C387 PolarHBondContact O-N 3.02Å; R385-C387 PolarHBondContact O-SG 3.05Å; R385-C387 VanDerWaalsContact O-SG 3.4Å; R385-N408 PolarHBondContact O-OD1 2.86Å
386	S	91.8	Very high	86.1	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	-79.1	63.5	176	-156.5	0	0	0	0	111.3	D351 N352 A353 G379 M380 C381 E382	D351-S386 WeakPolarHBondContact O-CB 3.35Å; D351-S386 PolarHBondContact O-OG 2.84Å; N352-S386 CarbonylContact C-O 3.51Å; N352-S386 WeakPolarHBondContact CA-O 3.23Å; N352-S386 WeakPolarHBondContact CA-OG 3.42Å; A353-S386 PolarHBondContact N-O 2.03Å; G379-S386 VanDerWaalsContact O-CA 3.22Å; G379-S386 WeakPolarHBondContact O-CA 3.38Å; G379-S386 VanDerWaalsContact O-CB 3.24Å; G379-S386 WeakPolarHBondContact O-CB 3.41Å; G379-S386 PolarHBondContact O-N 2.98Å; G379-S386 VanDerWaalsContact O-N 3.1Å; M380-S386 WeakPolarHBondContact CA-OG 3.48Å; C381-S386 PolarHBondContact N-OG 2.87Å; E382-S386 WeakPolarHBondContact O-CB 3.3Å; E382-S386 PolarHBondContact O-N 3.27Å
387	C	93.4	Very high	86	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149.1	-168	42.2	0	0	0	0	110.8	L322 F325 C326 A353 R385 N408	L322-C387 HydrophobicContact CD1-CB 4.44Å; F325-C387 HydrophobicContact CD1-CB 4.26Å; F325-C387 HydrophobicContact CE1-CB 4.4Å; C326-C387 HydrophobicContact CB-CB 4Å; C326-C387 WeakPolarHBondContact CB-SG 3.01Å; C326-C387 WeakPolarHBondContact SG-CB 3.13Å; C326-C387 CovalentContact SG-SG 2.02Å; C326-C387 PolarHBondContact SG-SG 3.25Å; A353-C387 CarbonylContact O-C 3.55Å; A353-C387 VanDerWaalsContact O-CA 3.29Å; A353-C387 WeakPolarHBondContact O-CA 3.31Å; R385-C387 VanDerWaalsContact CA-SG 3.59Å; R385-C387 PolarHBondContact O-N 3.02Å; R385-C387 PolarHBondContact O-SG 3.05Å; R385-C387 VanDerWaalsContact O-SG 3.4Å; C387-N408 PolarHBondContact N-ND2 3.36Å; C387-N408 PolarHBondContact O-ND2 3.48Å; C387-N408 VanDerWaalsContact O-ND2 3.1Å; C387-N408 PolarHBondContact O-OD1 2.88Å
388	S	95.3	Very high	85.9	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.1	170.3	63	0	0	0	0	111.5	F325 A353 L355 L374 N390	F325-S388 WeakPolarHBondContact CE1-O 3.43Å; A353-S388 PolarHBondContact O-N 2.8Å; L355-S388 PolarHBondContact N-O 2.96Å; L374-S388 CarbonylContact O-C 3.33Å; L374-S388 WeakPolarHBondContact O-CA 3.09Å; S388-N390 PolarHBondContact OG-ND2 2.94Å
389	I	94.4	Very high	85.9	Confident	1 Å²	1	22 Å²	22	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.3	168	67.9	168.1	0	0	0	109.6	A318 L322 F325 L355 I361 G373 L374	A318-I389 HydrophobicContact CB-CD1 4.09Å; A318-I389 WeakPolarHBondContact O-CD1 3.4Å; L322-I389 HydrophobicContact CB-CD1 4.19Å; L322-I389 HydrophobicContact CB-CG1 4.3Å; L322-I389 HydrophobicContact CB-CG2 4.23Å; L322-I389 HydrophobicContact CD1-CG2 4.02Å; F325-I389 HydrophobicContact CB-CG2 4.19Å; F325-I389 HydrophobicContact CD1-CG2 4.13Å; F325-I389 HydrophobicContact CG-CG2 4.41Å; L355-I389 HydrophobicContact CB-CB 4.4Å; L355-I389 HydrophobicContact CB-CG2 4.04Å; L355-I389 HydrophobicContact CD2-CB 4.37Å; L355-I389 HydrophobicContact CD2-CG2 3.85Å; L355-I389 HydrophobicContact CG-CG2 4.5Å; I361-I389 HydrophobicContact CD1-CD1 4.09Å; I361-I389 HydrophobicContact CD1-CG1 4.21Å; G373-I389 CarbonylContact C-O 3.45Å; G373-I389 VanDerWaalsContact CA-O 3.29Å; G373-I389 WeakPolarHBondContact CA-O 3.29Å; L374-I389 HydrophobicContact CB-CD1 4.27Å; L374-I389 HydrophobicContact CB-CG1 3.81Å; L374-I389 PolarHBondContact N-O 2.81Å; L374-I389 PolarHBondContact O-N 2.79Å
390	N	93.8	Very high	86	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	124	-170.1	-54.7	-96.6	0	0	0	110.2	L355 I356 T357 L372 S388 T400 I401 E404	L355-N390 WeakPolarHBondContact O-CB 3.5Å; L355-N390 PolarHBondContact O-N 2.82Å; L355-N390 PolarHBondContact O-ND2 2.85Å; I356-N390 WeakPolarHBondContact CA-O 3.38Å; T357-N390 WeakPolarHBondContact CG2-O 3.24Å; T357-N390 PolarHBondContact N-O 2.8Å; L372-N390 CarbonylContact O-C 3.59Å; S388-N390 PolarHBondContact OG-ND2 2.94Å; N390-T400 HydrophobicContact CB-CG2 4.47Å; N390-I401 HydrophobicContact CB-CG1 3.86Å; N390-I401 VanDerWaalsContact CG-CG1 3.44Å; N390-I401 WeakPolarHBondContact OD1-CA 3.45Å; N390-I401 WeakPolarHBondContact OD1-CG1 3.27Å; N390-I401 PolarHBondContact OD1-N 2.69Å; N390-E404 WeakPolarHBondContact OD1-CG 3.45Å
391	E	90.4	Very high	86.1	Confident	34 Å²	34	22.1 Å²	22.1	16%	0.159	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.4	167.3	-177.1	175.1	157.7	0	0	109.9	T357 Y359 D360 I361 L372 I393	T357-E391 CarbonylContact O-C 3.58Å; T357-E391 WeakPolarHBondContact O-CA 3.47Å; Y359-E391 WeakPolarHBondContact O-CG 3.47Å; D360-E391 WeakPolarHBondContact CA-OE2 3.48Å; I361-E391 HydrophobicContact CD1-CB 4.38Å; I361-E391 HydrophobicContact CG1-CB 4.27Å; I361-E391 PolarHBondContact N-OE2 2.03Å; I361-E391 VanDerWaalsContact N-OE2 3.14Å; L372-E391 HydrophobicContact CD2-CB 4.37Å; L372-E391 HydrophobicContact CD2-CG 4.5Å; L372-E391 PolarHBondContact O-N 3.41Å; E391-I393 HydrophobicContact CG-CG2 4.46Å
392	D	87.3	Confident	86.4	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.			trans	-84.3	122.3	-177.7	-179.4	53.3	0	0	0	112.1	M262 H266 Y274 I356 T357 R358 S397	M262-D392 HydrophobicContact CE-CB 3.98Å; M262-D392 HydrophobicContact SD-CB 3.44Å; M262-D392 WeakPolarHBondContact SD-CB 3.46Å; H266-D392 IonicContact CD2-OD2 2.68Å; H266-D392 IonicContact CE1-OD2 3.18Å; H266-D392 IonicContact NE2-OD2 3.88Å; H266-D392 PolarHBondContact NE2-OD2 2.81Å; Y274-D392 WeakPolarHBondContact CE1-OD1 3.02Å; Y274-D392 VanDerWaalsContact OH-CG 3.29Å; Y274-D392 PolarHBondContact OH-OD1 2.67Å; Y274-D392 PolarHBondContact OH-OD2 3.14Å; I356-D392 HydrophobicContact CG2-CB 3.86Å; T357-D392 WeakPolarHBondContact O-CB 3.45Å; T357-D392 PolarHBondContact O-N 3.25Å; R358-D392 WeakPolarHBondContact CD-O 3.42Å; R358-D392 HydrophobicContact CG-CB 4.14Å; R358-D392 PolarHBondContact NH1-O 2.82Å; D392-S397 VanDerWaalsContact CA-OG 3.32Å; D392-S397 WeakPolarHBondContact CA-OG 3.44Å; D392-S397 PolarHBondContact OD1-OG 3.32Å
393	I	80.1	Confident	86.7	Confident	7 Å²	7	18.3 Å²	18.3	4%	0.036	9%	0.089	C	C	.	.			trans	-130.5	38.5	-173.9	58.9	-177.8	0	0	0	111.7	L372 E391 S397 Q493 I524	L372-I393 HydrophobicContact CD1-CD1 3.46Å; L372-I393 VanDerWaalsContact CD1-CD1 3.46Å; L372-I393 HydrophobicContact CD2-CD1 4.05Å; L372-I393 HydrophobicContact CD2-CG2 3.6Å; L372-I393 HydrophobicContact CG-CD1 4.19Å; E391-I393 HydrophobicContact CG-CG2 4.46Å; I393-S397 PolarHBondContact N-OG 2.93Å; I393-Q493 WeakPolarHBondContact O-CG 3.04Å; I393-I524 HydrophobicContact CD1-CD1 3.63Å; I393-I524 HydrophobicContact CG1-CD1 4.22Å
394	G	81.9	Confident	87.5	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	75.9	-162.7	-172.5	0	0	0	0	0	112.4	Y274 G396 S397 F492	Y274-G394 WeakPolarHBondContact OH-CA 3.35Å; Y274-G394 PolarHBondContact OH-N 3.31Å; Y274-G394 PolarHBondContact OH-O 3Å; G394-G396 PolarHBondContact O-N 2.81Å; G394-S397 WeakPolarHBondContact O-CB 3.38Å; G394-S397 PolarHBondContact O-N 3.36Å; G394-S397 PolarHBondContact O-OG 2.96Å; G394-F492 VanDerWaalsContact CA-CB 3.46Å
395	L	78.9	Confident	88.2	Confident	6 Å²	6	9.1 Å²	9.1	3%	0.031	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-58.4	-16.3	-179.7	-58.7	-174.9	0	0	0	113.7	Y274 V278 I281 S397 A398 P480 Y484 Q489 A527	Y274-L395 HydrophobicContact CD2-CD2 4.28Å; Y274-L395 HydrophobicContact CE2-CD2 3.97Å; V278-L395 HydrophobicContact CG2-CD2 4.06Å; I281-L395 HydrophobicContact CD1-CB 4.11Å; L395-S397 PolarHBondContact O-N 2.7Å; L395-A398 WeakPolarHBondContact O-CB 3.08Å; L395-A398 PolarHBondContact O-N 3.23Å; L395-P480 HydrophobicContact CD1-CB 3.81Å; L395-Y484 HydrophobicContact CD1-CD2 3.91Å; L395-Y484 HydrophobicContact CD1-CG 4.38Å; L395-Y484 HydrophobicContact CD2-CD2 4.22Å; L395-Y484 HydrophobicContact CD2-CE2 4.45Å; L395-Q489 HydrophobicContact CD1-CG 3.84Å; L395-Q489 HydrophobicContact CG-CG 4.3Å; L395-A527 HydrophobicContact CB-CB 4.44Å; L395-A527 HydrophobicContact CD1-CB 3.65Å
396	G	75.4	Confident	88.6	Confident	2 Å²	2	4.3 Å²	4.3	2%	0.021	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-61	-23.6	169.8	0	0	0	0	0	115.2	G394 A398 F399	G394-G396 PolarHBondContact O-N 2.81Å; G396-A398 PolarHBondContact O-N 2.82Å; G396-F399 PolarHBondContact O-N 2.92Å
397	S	84.9	Confident	88.6	Confident	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-53.8	-25.8	174	-54.5	0	0	0	0	112.6	D392 I393 G394 L395 F399 T400 I401	D392-S397 VanDerWaalsContact CA-OG 3.32Å; D392-S397 WeakPolarHBondContact CA-OG 3.44Å; D392-S397 PolarHBondContact OD1-OG 3.32Å; I393-S397 PolarHBondContact N-OG 2.93Å; G394-S397 WeakPolarHBondContact O-CB 3.38Å; G394-S397 PolarHBondContact O-N 3.36Å; G394-S397 PolarHBondContact O-OG 2.96Å; L395-S397 PolarHBondContact O-N 2.7Å; S397-F399 VanDerWaalsContact C-N 3.34Å; S397-F399 PolarHBondContact O-N 2.59Å; S397-T400 WeakPolarHBondContact O-CB 3.06Å; S397-T400 PolarHBondContact O-N 2.96Å; S397-I401 WeakPolarHBondContact O-CD1 3.35Å; S397-I401 VanDerWaalsContact O-CG1 3.28Å; S397-I401 WeakPolarHBondContact O-CG1 3.45Å; S397-I401 PolarHBondContact O-N 3.43Å
398	A	84	Confident	88.6	Confident	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-65.1	-34.2	176.9	0	0	0	0	0	113.6	V278 I281 V282 L395 G396 A402	V278-A398 HydrophobicContact CG1-CB 4.02Å; V278-A398 VanDerWaalsContact O-CB 3.3Å; V278-A398 WeakPolarHBondContact O-CB 3.31Å; I281-A398 HydrophobicContact CB-CB 3.46Å; I281-A398 VanDerWaalsContact CB-CB 3.46Å; I281-A398 HydrophobicContact CD1-CB 4.12Å; I281-A398 HydrophobicContact CG1-CB 4.39Å; I281-A398 HydrophobicContact CG2-CB 3.49Å; I281-A398 VanDerWaalsContact CG2-CB 3.49Å; V282-A398 HydrophobicContact CG2-CB 3.95Å; V282-A398 WeakPolarHBondContact CG2-O 3.45Å; L395-A398 WeakPolarHBondContact O-CB 3.08Å; L395-A398 PolarHBondContact O-N 3.23Å; G396-A398 PolarHBondContact O-N 2.82Å; A398-A402 VanDerWaalsContact O-CB 3.26Å; A398-A402 WeakPolarHBondContact O-CB 3.44Å; A398-A402 PolarHBondContact O-N 3.04Å
399	F	84.8	Confident	88.5	Confident	12 Å²	12	4.4 Å²	4.4	5%	0.053	2%	0.021	C	C	.	.	H	α-helix	trans	-69.6	-40.4	175.8	-56.6	-61.5	0	0	0	110.3	I281 L285 G396 S397 A402 H403 L430 P441 F442 I524 P525	I281-F399 HydrophobicContact CG2-CE1 4.31Å; L285-F399 HydrophobicContact CD1-CD1 3.69Å; L285-F399 HydrophobicContact CD1-CE1 4.12Å; L285-F399 HydrophobicContact CD2-CD1 4.44Å; L285-F399 HydrophobicContact CD2-CE1 4.3Å; G396-F399 PolarHBondContact O-N 2.92Å; S397-F399 VanDerWaalsContact C-N 3.34Å; S397-F399 PolarHBondContact O-N 2.59Å; F399-A402 PolarHBondContact O-N 3.11Å; F399-H403 VanDerWaalsContact O-CB 3.29Å; F399-H403 WeakPolarHBondContact O-CB 3.33Å; F399-H403 PolarHBondContact O-N 2.98Å; F399-L430 HydrophobicContact CB-CD1 4.08Å; F399-L430 HydrophobicContact CD1-CD1 4.39Å; F399-P441 HydrophobicContact CB-CB 4.32Å; F399-P441 HydrophobicContact CD1-CB 3.53Å; F399-P441 HydrophobicContact CD1-CG 3.86Å; F399-P441 HydrophobicContact CD2-CB 4.47Å; F399-P441 HydrophobicContact CD2-CG 4.31Å; F399-P441 HydrophobicContact CE1-CB 3.87Å; F399-P441 HydrophobicContact CE1-CG 3.71Å; F399-P441 HydrophobicContact CE2-CG 4.19Å; F399-P441 HydrophobicContact CG-CB 3.86Å; F399-P441 HydrophobicContact CG-CG 4.16Å; F399-P441 HydrophobicContact CZ-CB 4.48Å; F399-P441 HydrophobicContact CZ-CG 3.88Å; F399-F442 AromaticContact CE1-CD1 3.99Å; F399-F442 HydrophobicContact CE1-CD1 3.99Å; F399-F442 AromaticContact CE1-CE1 3.82Å; F399-F442 HydrophobicContact CE1-CE1 3.82Å; F399-F442 HydrophobicContact CE1-CZ 4.33Å; F399-F442 HydrophobicContact CZ-CD1 4.29Å; F399-F442 AromaticContact CZ-CE1 3.66Å; F399-F442 HydrophobicContact CZ-CE1 3.66Å; F399-F442 AromaticContact CZ-CZ 3.83Å; F399-F442 HydrophobicContact CZ-CZ 3.83Å; F399-I524 HydrophobicContact CD2-CG2 3.92Å; F399-I524 HydrophobicContact CE2-CG2 3.72Å; F399-P525 HydrophobicContact CE2-CG 4.09Å; F399-P525 HydrophobicContact CZ-CG 4.04Å
400	T	87.5	Confident	88.3	Confident	4 Å²	4	5 Å²	5	3%	0.025	3%	0.028	C	C	.	.	H	α-helix	trans	-59.4	-54.5	171.7	-49	0	0	0	0	111.4	L372 N390 S397 A402 H403 E404	L372-T400 VanDerWaalsContact C-CG2 3.46Å; L372-T400 HydrophobicContact CB-CG2 3.89Å; L372-T400 VanDerWaalsContact O-CG2 3.32Å; L372-T400 WeakPolarHBondContact O-CG2 3.35Å; N390-T400 HydrophobicContact CB-CG2 4.47Å; S397-T400 WeakPolarHBondContact O-CB 3.06Å; S397-T400 PolarHBondContact O-N 2.96Å; T400-A402 VanDerWaalsContact C-N 3.27Å; T400-A402 PolarHBondContact O-N 2.77Å; T400-H403 WeakPolarHBondContact O-CA 3.44Å; T400-H403 WeakPolarHBondContact O-CB 3.32Å; T400-H403 PolarHBondContact O-N 2.74Å; T400-E404 HydrophobicContact CG2-CG 4.37Å; T400-E404 WeakPolarHBondContact O-CG 3.45Å; T400-E404 PolarHBondContact O-N 2.7Å
401	I	92.3	Very high	88.2	Confident	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.2	-39.4	-179.6	-66.6	159.2	0	0	0	111.2	V278 M279 V282 V354 I356 N390 S397 E404 I405	V278-I401 HydrophobicContact CG1-CD1 3.6Å; M279-I401 HydrophobicContact SD-CD1 4.33Å; M279-I401 HydrophobicContact SD-CG2 4.06Å; V282-I401 HydrophobicContact CG1-CG2 4.17Å; V282-I401 HydrophobicContact CG2-CB 3.84Å; V282-I401 HydrophobicContact CG2-CG2 3.72Å; V354-I401 HydrophobicContact CG1-CD1 4.23Å; V354-I401 HydrophobicContact CG1-CG1 4.02Å; V354-I401 HydrophobicContact CG1-CG2 3.81Å; V354-I401 HydrophobicContact CG2-CG2 4.16Å; I356-I401 HydrophobicContact CD1-CD1 3.78Å; I356-I401 HydrophobicContact CG1-CD1 4.07Å; N390-I401 HydrophobicContact CB-CG1 3.86Å; N390-I401 VanDerWaalsContact CG-CG1 3.44Å; N390-I401 WeakPolarHBondContact OD1-CA 3.45Å; N390-I401 WeakPolarHBondContact OD1-CG1 3.27Å; N390-I401 PolarHBondContact OD1-N 2.69Å; S397-I401 WeakPolarHBondContact O-CD1 3.35Å; S397-I401 VanDerWaalsContact O-CG1 3.28Å; S397-I401 WeakPolarHBondContact O-CG1 3.45Å; S397-I401 PolarHBondContact O-N 3.43Å; I401-E404 PolarHBondContact O-N 3.24Å; I401-I405 HydrophobicContact CG2-CD1 3.8Å; I401-I405 HydrophobicContact CG2-CG1 4.45Å; I401-I405 VanDerWaalsContact O-CG1 3.23Å; I401-I405 WeakPolarHBondContact O-CG1 3.31Å; I401-I405 PolarHBondContact O-N 2.69Å
402	A	90.4	Very high	88.1	Confident	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-68.5	-36	175.9	0	0	0	0	0	112.9	V282 L285 Y286 A398 F399 T400 G406 L430	V282-A402 HydrophobicContact CG1-CB 4.29Å; L285-A402 HydrophobicContact CB-CB 4.31Å; L285-A402 HydrophobicContact CD1-CB 3.66Å; Y286-A402 HydrophobicContact CE2-CB 4.12Å; Y286-A402 PolarHBondContact OH-O 3.34Å; Y286-A402 VanDerWaalsContact OH-O 3.05Å; A398-A402 VanDerWaalsContact O-CB 3.26Å; A398-A402 WeakPolarHBondContact O-CB 3.44Å; A398-A402 PolarHBondContact O-N 3.04Å; F399-A402 PolarHBondContact O-N 3.11Å; T400-A402 VanDerWaalsContact C-N 3.27Å; T400-A402 PolarHBondContact O-N 2.77Å; A402-G406 PolarHBondContact O-N 3.29Å; A402-L430 HydrophobicContact CB-CD2 3.95Å
403	H	90.8	Very high	88	Confident	16 Å²	16	7.4 Å²	7.4	7%	0.074	4%	0.041	C	C	.	.	H	α-helix	trans	-64.8	-44.7	173.2	-176.3	110.7	0	0	0	111.8	F399 T400 G406 H407 H413 L430 M431 A432	F399-H403 VanDerWaalsContact O-CB 3.29Å; F399-H403 WeakPolarHBondContact O-CB 3.33Å; F399-H403 PolarHBondContact O-N 2.98Å; T400-H403 WeakPolarHBondContact O-CA 3.44Å; T400-H403 WeakPolarHBondContact O-CB 3.32Å; T400-H403 PolarHBondContact O-N 2.74Å; H403-G406 CarbonylContact O-C 3.38Å; H403-G406 VanDerWaalsContact O-CA 3.24Å; H403-G406 WeakPolarHBondContact O-CA 3.14Å; H403-G406 PolarHBondContact O-N 2.78Å; H403-H407 AromaticContact CD2-CD2 3.52Å; H403-H407 AromaticContact CD2-NE2 3.28Å; H403-H407 PolarHBondContact CD2-NE2 2.91Å; H403-H407 VanDerWaalsContact CD2-NE2 3.28Å; H403-H407 AromaticContact NE2-CD2 3.75Å; H403-H407 AromaticContact NE2-CE1 3.94Å; H403-H407 AromaticContact NE2-NE2 2.98Å; H403-H407 PolarHBondContact NE2-NE2 3.38Å; H403-H407 PolarHBondContact O-N 2.65Å; H403-H413 AromaticContact CE1-CD2 3.58Å; H403-H413 AromaticContact CE1-NE2 3.64Å; H403-H413 AromaticContact NE2-CD2 3.44Å; H403-H413 PolarHBondContact NE2-CD2 3.34Å; H403-H413 AromaticContact NE2-NE2 3.15Å; H403-H413 PolarHBondContact NE2-NE2 3.29Å; H403-H413 VanDerWaalsContact NE2-NE2 3.15Å; H403-L430 PolarHBondContact ND1-O 2.85Å; H403-M431 HydrophobicContact CB-SD 4.42Å; H403-A432 PolarHBondContact CE1-O 3.09Å
404	E	94.4	Very high	88.2	Confident	6 Å²	6	7.9 Å²	7.9	3%	0.028	4%	0.044	C	C	.	.	H	α-helix	trans	-69.2	-37.8	179.2	-64.2	-42.1	136.3	0	0	113.1	G373 L374 A375 N390 T400 I401 G406 H407 N408	G373-E404 VanDerWaalsContact C-CD 3.45Å; G373-E404 WeakPolarHBondContact CA-OE1 2.99Å; L374-E404 VanDerWaalsContact CA-OE2 3.29Å; L374-E404 WeakPolarHBondContact CA-OE2 3.35Å; L374-E404 VanDerWaalsContact N-CD 3.35Å; L374-E404 PolarHBondContact N-OE2 3.32Å; A375-E404 HydrophobicContact CB-CB 3.89Å; A375-E404 VanDerWaalsContact CB-O 3.27Å; A375-E404 WeakPolarHBondContact CB-O 3.38Å; A375-E404 WeakPolarHBondContact CB-OE2 3Å; A375-E404 PolarHBondContact N-OE2 3.4Å; N390-E404 WeakPolarHBondContact OD1-CG 3.45Å; T400-E404 HydrophobicContact CG2-CG 4.37Å; T400-E404 WeakPolarHBondContact O-CG 3.45Å; T400-E404 PolarHBondContact O-N 2.7Å; I401-E404 PolarHBondContact O-N 3.24Å; E404-G406 PolarHBondContact O-N 2.66Å; E404-H407 WeakPolarHBondContact O-CB 3.02Å; E404-H407 PolarHBondContact O-N 3.44Å; E404-H407 IonicContact OE2-CD2 2.68Å; E404-H407 PolarHBondContact OE2-CD2 2.87Å; E404-N408 PolarHBondContact O-N 3.33Å
405	I	95.4	Very high	87.9	Confident	0 Å²	0	10 Å²	10	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.5	-28.7	168.5	-61.8	167.6	0	0	0	110.1	V282 Y286 I297 V354 M380 I401 N408 F409	V282-I405 HydrophobicContact CG1-CD1 4.05Å; Y286-I405 HydrophobicContact CE1-CG2 4.47Å; Y286-I405 HydrophobicContact CE2-CB 4.07Å; Y286-I405 HydrophobicContact CE2-CG2 3.98Å; Y286-I405 WeakPolarHBondContact OH-CB 3.47Å; Y286-I405 WeakPolarHBondContact OH-CG2 3.17Å; I297-I405 HydrophobicContact CD1-CG2 4.43Å; V354-I405 HydrophobicContact CG2-CD1 4.1Å; V354-I405 HydrophobicContact CG2-CG1 4.41Å; M380-I405 HydrophobicContact CE-CG2 3.92Å; I401-I405 HydrophobicContact CG2-CD1 3.8Å; I401-I405 HydrophobicContact CG2-CG1 4.45Å; I401-I405 VanDerWaalsContact O-CG1 3.23Å; I401-I405 WeakPolarHBondContact O-CG1 3.31Å; I401-I405 PolarHBondContact O-N 2.69Å; I405-N408 PolarHBondContact O-N 3.13Å; I405-F409 HydrophobicContact CG2-CD2 3.99Å; I405-F409 HydrophobicContact CG2-CE2 3.87Å; I405-F409 VanDerWaalsContact O-CD2 3.32Å; I405-F409 WeakPolarHBondContact O-CD2 3.44Å; I405-F409 PolarHBondContact O-N 3.32Å
406	G	94	Very high	87.5	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-44.7	172.3	0	0	0	0	0	112.4	Y286 A402 H403 E404 N408 F409 G410 M411	Y286-G406 WeakPolarHBondContact OH-CA 3.45Å; Y286-G406 PolarHBondContact OH-N 3.4Å; A402-G406 PolarHBondContact O-N 3.29Å; H403-G406 CarbonylContact O-C 3.38Å; H403-G406 VanDerWaalsContact O-CA 3.24Å; H403-G406 WeakPolarHBondContact O-CA 3.14Å; H403-G406 PolarHBondContact O-N 2.78Å; E404-G406 PolarHBondContact O-N 2.66Å; G406-N408 VanDerWaalsContact C-N 3.34Å; G406-N408 PolarHBondContact O-N 2.86Å; G406-F409 CarbonylContact O-C 3.59Å; G406-F409 PolarHBondContact O-N 2.84Å; G406-F409 VanDerWaalsContact O-N 3.14Å; G406-G410 PolarHBondContact O-N 3.2Å; G406-M411 VanDerWaalsContact O-CB 3.28Å; G406-M411 WeakPolarHBondContact O-CB 3.21Å; G406-M411 WeakPolarHBondContact O-CG 3.47Å; G406-M411 PolarHBondContact O-N 3.42Å
407	H	90.7	Very high	86.9	Confident	4 Å²	4	18.8 Å²	18.8	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-58.3	-44.7	168.8	-73.4	-59.5	0	0	0	111.1	V209 A375 V377 A378 H403 E404 F409 G410 M411 H413	V209-H407 WeakPolarHBondContact CG2-NE2 3.25Å; A375-H407 HydrophobicContact CB-CB 4.08Å; V377-H407 CarbonylContact C-O 3.59Å; V377-H407 WeakPolarHBondContact CA-O 3.43Å; A378-H407 PolarHBondContact N-O 3.17Å; H403-H407 AromaticContact CD2-CD2 3.52Å; H403-H407 AromaticContact CD2-NE2 3.28Å; H403-H407 PolarHBondContact CD2-NE2 2.91Å; H403-H407 VanDerWaalsContact CD2-NE2 3.28Å; H403-H407 AromaticContact NE2-CD2 3.75Å; H403-H407 AromaticContact NE2-CE1 3.94Å; H403-H407 AromaticContact NE2-NE2 2.98Å; H403-H407 PolarHBondContact NE2-NE2 3.38Å; H403-H407 PolarHBondContact O-N 2.65Å; E404-H407 WeakPolarHBondContact O-CB 3.02Å; E404-H407 PolarHBondContact O-N 3.44Å; E404-H407 IonicContact OE2-CD2 2.68Å; E404-H407 PolarHBondContact OE2-CD2 2.87Å; H407-F409 VanDerWaalsContact C-N 3.25Å; H407-F409 PolarHBondContact O-N 3.05Å; H407-G410 WeakPolarHBondContact O-CA 3.19Å; H407-G410 PolarHBondContact O-N 3.47Å; H407-M411 PolarHBondContact ND1-O 3.46Å; H407-H413 AromaticContact CE1-CD2 3.54Å; H407-H413 AromaticContact CE1-NE2 3.59Å; H407-H413 AromaticContact NE2-CD2 3.71Å; H407-H413 AromaticContact NE2-NE2 3.42Å; H407-H413 PolarHBondContact NE2-NE2 2.7Å
408	N	93.8	Very high	86.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-31.5	175.4	-74.3	-13.1	0	0	0	113	N352 S376 A378 G379 M380 R385 C387 E404 I405 G406 G410	N352-N408 PolarHBondContact OD1-ND2 2.81Å; S376-N408 PolarHBondContact N-OD1 2.9Å; S376-N408 WeakPolarHBondContact O-CA 3.49Å; S376-N408 PolarHBondContact O-OD1 2.81Å; A378-N408 CarbonylContact C-O 3.48Å; A378-N408 VanDerWaalsContact CA-O 3.22Å; A378-N408 WeakPolarHBondContact CA-O 3.32Å; G379-N408 PolarHBondContact N-O 3.4Å; G379-N408 VanDerWaalsContact N-O 3.13Å; M380-N408 HydrophobicContact CB-CB 4.32Å; M380-N408 WeakPolarHBondContact CB-O 3.36Å; M380-N408 HydrophobicContact CE-CB 4.18Å; M380-N408 PolarHBondContact N-O 3.34Å; R385-N408 PolarHBondContact O-OD1 2.86Å; C387-N408 PolarHBondContact N-ND2 3.36Å; C387-N408 PolarHBondContact O-ND2 3.48Å; C387-N408 VanDerWaalsContact O-ND2 3.1Å; C387-N408 PolarHBondContact O-OD1 2.88Å; E404-N408 PolarHBondContact O-N 3.33Å; I405-N408 PolarHBondContact O-N 3.13Å; G406-N408 VanDerWaalsContact C-N 3.34Å; G406-N408 PolarHBondContact O-N 2.86Å; N408-G410 PolarHBondContact O-N 2.97Å
409	F	94.3	Very high	86.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	0.5	169.8	-82.6	-66	0	0	0	115.1	V252 Y286 V295 M380 I405 G406 H407 M411 I452 F455 L456 L464	V252-F409 HydrophobicContact CG2-CE2 4.37Å; V252-F409 HydrophobicContact CG2-CZ 3.84Å; Y286-F409 HydrophobicContact CD1-CE2 4.34Å; Y286-F409 AromaticContact CE1-CD2 3.78Å; Y286-F409 HydrophobicContact CE1-CD2 3.78Å; Y286-F409 AromaticContact CE1-CE2 3.63Å; Y286-F409 HydrophobicContact CE1-CE2 3.63Å; V295-F409 HydrophobicContact CG1-CE2 4.26Å; V295-F409 HydrophobicContact CG1-CZ 3.99Å; M380-F409 HydrophobicContact CB-CD1 4.46Å; M380-F409 HydrophobicContact CE-CD2 4.25Å; M380-F409 HydrophobicContact CE-CE1 4.46Å; M380-F409 HydrophobicContact CE-CE2 3.89Å; M380-F409 HydrophobicContact CE-CZ 4.01Å; M380-F409 HydrophobicContact CG-CD1 4.23Å; M380-F409 HydrophobicContact CG-CE1 3.98Å; M380-F409 HydrophobicContact CG-CZ 4.39Å; I405-F409 HydrophobicContact CG2-CD2 3.99Å; I405-F409 HydrophobicContact CG2-CE2 3.87Å; I405-F409 VanDerWaalsContact O-CD2 3.32Å; I405-F409 WeakPolarHBondContact O-CD2 3.44Å; I405-F409 PolarHBondContact O-N 3.32Å; G406-F409 CarbonylContact O-C 3.59Å; G406-F409 PolarHBondContact O-N 2.84Å; G406-F409 VanDerWaalsContact O-N 3.14Å; H407-F409 VanDerWaalsContact C-N 3.25Å; H407-F409 PolarHBondContact O-N 3.05Å; F409-M411 HydrophobicContact CB-CE 4.44Å; F409-I452 HydrophobicContact CB-CB 4.4Å; F409-I452 HydrophobicContact CB-CD1 4.03Å; F409-I452 HydrophobicContact CB-CG1 4.02Å; F409-I452 HydrophobicContact CD1-CD1 3.6Å; F409-I452 HydrophobicContact CD1-CG1 3.68Å; F409-I452 HydrophobicContact CD2-CD1 3.78Å; F409-I452 HydrophobicContact CE1-CD1 3.9Å; F409-I452 HydrophobicContact CE1-CG1 4.26Å; F409-I452 HydrophobicContact CE2-CD1 4.07Å; F409-I452 HydrophobicContact CG-CD1 3.53Å; F409-I452 HydrophobicContact CG-CG1 3.88Å; F409-I452 HydrophobicContact CZ-CD1 4.12Å; F409-F455 HydrophobicContact CD1-CD1 4.01Å; F409-F455 HydrophobicContact CD1-CE1 4.22Å; F409-F455 VanDerWaalsContact O-CB 3.31Å; F409-F455 WeakPolarHBondContact O-CB 3.46Å; F409-F455 WeakPolarHBondContact O-CD2 3.28Å; F409-F455 WeakPolarHBondContact O-CG 3.43Å; F409-L456 HydrophobicContact CE1-CD2 4.33Å; F409-L464 HydrophobicContact CE1-CD1 3.56Å; F409-L464 HydrophobicContact CZ-CD1 3.87Å
410	G	89.3	Confident	86	Confident	13 Å²	13	25.8 Å²	25.8	13%	0.134	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	16	179	0	0	0	0	0	114.7	G406 H407 N408	G406-G410 PolarHBondContact O-N 3.2Å; H407-G410 WeakPolarHBondContact O-CA 3.19Å; H407-G410 PolarHBondContact O-N 3.47Å; N408-G410 PolarHBondContact O-N 2.97Å
411	M	91.5	Very high	85	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-70.6	137.2	170.4	-55	-178.9	-167.8	0	0	110	L291 G406 H407 F409 M431 W444 Y451 I452	L291-M411 HydrophobicContact CD1-CE 3.56Å; G406-M411 VanDerWaalsContact O-CB 3.28Å; G406-M411 WeakPolarHBondContact O-CB 3.21Å; G406-M411 WeakPolarHBondContact O-CG 3.47Å; G406-M411 PolarHBondContact O-N 3.42Å; H407-M411 PolarHBondContact ND1-O 3.46Å; F409-M411 HydrophobicContact CB-CE 4.44Å; M411-M431 HydrophobicContact CB-CE 4.02Å; M411-M431 HydrophobicContact CB-CG 4.17Å; M411-M431 HydrophobicContact CB-SD 4.31Å; M411-M431 HydrophobicContact SD-CG 3.74Å; M411-M431 HydrophobicContact SD-SD 3.94Å; M411-W444 HydrophobicContact CE-CE3 3.95Å; M411-W444 HydrophobicContact CE-CH2 4.26Å; M411-W444 HydrophobicContact CE-CZ3 3.72Å; M411-W444 HydrophobicContact SD-CE3 3.74Å; M411-W444 HydrophobicContact SD-CH2 4.46Å; M411-W444 HydrophobicContact SD-CZ3 3.48Å; M411-W444 WeakPolarHBondContact SD-CZ3 2.99Å; M411-Y451 HydrophobicContact CB-CD2 4.25Å; M411-I452 HydrophobicContact CE-CB 3.78Å; M411-I452 HydrophobicContact CE-CD1 4.01Å; M411-I452 HydrophobicContact CE-CG1 4.44Å; M411-I452 HydrophobicContact CE-CG2 3.94Å
412	N	87.5	Confident	83.4	Confident	66 Å²	66	32.5 Å²	32.5	35%	0.353	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-99.2	164.6	167.8	-68.1	-88	0	0	0	110.1	Y451	N412-Y451 HydrophobicContact CB-CE2 3.93Å
413	H	87.1	Confident	81.5	Confident	20 Å²	20	40.2 Å²	40.2	9%	0.093	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-58.3	139.6	175.3	-71	164.5	0	0	0	113	V209 H403 H407 G415 I416 N418 M431 A433	V209-H413 WeakPolarHBondContact CG2-CE1 3.42Å; V209-H413 WeakPolarHBondContact CG2-NE2 3.13Å; H403-H413 AromaticContact CE1-CD2 3.58Å; H403-H413 AromaticContact CE1-NE2 3.64Å; H403-H413 AromaticContact NE2-CD2 3.44Å; H403-H413 PolarHBondContact NE2-CD2 3.34Å; H403-H413 AromaticContact NE2-NE2 3.15Å; H403-H413 PolarHBondContact NE2-NE2 3.29Å; H403-H413 VanDerWaalsContact NE2-NE2 3.15Å; H407-H413 AromaticContact CE1-CD2 3.54Å; H407-H413 AromaticContact CE1-NE2 3.59Å; H407-H413 AromaticContact NE2-CD2 3.71Å; H407-H413 AromaticContact NE2-NE2 3.42Å; H407-H413 PolarHBondContact NE2-NE2 2.7Å; H413-G415 PolarHBondContact O-N 2.78Å; H413-I416 HydrophobicContact CB-CB 4.19Å; H413-I416 HydrophobicContact CB-CD1 3.9Å; H413-I416 HydrophobicContact CB-CG1 4.02Å; H413-I416 PolarHBondContact O-N 3.15Å; H413-N418 PolarHBondContact O-ND2 3.43Å; H413-M431 CarbonylContact C-O 3.59Å; H413-M431 WeakPolarHBondContact CA-O 3.48Å; H413-A433 HydrophobicContact CB-CB 4.25Å; H413-A433 WeakPolarHBondContact ND1-CB 3.03Å
414	D	84.1	Confident	79.5	Confident	16 Å²	16	42.7 Å²	42.7	9%	0.086	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-61.5	131.6	169.3	-70.2	-48.8	0	0	0	110.9	I416 C420 M431 S445	D414-I416 VanDerWaalsContact C-N 3.33Å; D414-C420 HydrophobicContact CB-CB 4.22Å; D414-C420 VanDerWaalsContact OD1-CB 3.23Å; D414-C420 WeakPolarHBondContact OD1-CB 3.28Å; D414-M431 PolarHBondContact N-O 3.05Å; D414-S445 WeakPolarHBondContact OD1-CB 3.44Å; D414-S445 PolarHBondContact OD1-OG 3.23Å; D414-S445 WeakPolarHBondContact OD2-CB 3.34Å
415	G	74.8	Confident	77.5	Confident	46 Å²	46	51.3 Å²	51.3	47%	0.474	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-9.9	-179.7	0	0	0	0	0	115.1	H413 N418 C420	H413-G415 PolarHBondContact O-N 2.78Å; G415-N418 PolarHBondContact N-OD1 3Å; G415-C420 WeakPolarHBondContact CA-O 3.02Å; G415-C420 PolarHBondContact N-O 3.27Å
416	I	70.6	Confident	75.8	Confident	104 Å²	104	58.5 Å²	58.5	53%	0.533	36%	0.364	S	S	.	.	S	Bend	trans	-106.2	94.7	178.8	-52.6	-172.4	0	0	0	109	H413 D414 N418 A433	H413-I416 HydrophobicContact CB-CB 4.19Å; H413-I416 HydrophobicContact CB-CD1 3.9Å; H413-I416 HydrophobicContact CB-CG1 4.02Å; H413-I416 PolarHBondContact O-N 3.15Å; D414-I416 VanDerWaalsContact C-N 3.33Å; I416-N418 VanDerWaalsContact C-N 3.31Å; I416-N418 PolarHBondContact O-N 2.84Å; I416-A433 HydrophobicContact CD1-CB 4.19Å
417	G	63.6	Low	74.5	Confident	88 Å²	88	60.7 Å²	60.7	91%	0.907	38%	0.382	S	S	*	.	S	Bend	trans	79.3	4.6	177.6	0	0	0	0	0	115.7
418	N	78.1	Confident	73.7	Confident	35 Å²	35	61.4 Å²	61.4	19%	0.187	39%	0.389	C	S	.	.	S	Bend	trans	-128.5	176.8	175.4	58.2	57.6	0	0	0	112.2	H413 G415 I416 C420 C447 Y451	H413-N418 PolarHBondContact O-ND2 3.43Å; G415-N418 PolarHBondContact N-OD1 3Å; I416-N418 VanDerWaalsContact C-N 3.31Å; I416-N418 PolarHBondContact O-N 2.84Å; N418-C420 PolarHBondContact OD1-N 2.97Å; N418-C420 PolarHBondContact OD1-O 3.08Å; N418-C447 HydrophobicContact CB-CB 4.4Å; N418-Y451 PolarHBondContact ND2-OH 2.95Å
419	S	77.6	Confident	73.3	Confident	99 Å²	99	64.4 Å²	64.4	69%	0.692	40%	0.402	S	S	*	.	S	Bend	trans	-89.7	-8.2	-174	54.3	0	0	0	0	114.7
420	C	78.9	Confident	72.9	Confident	25 Å²	25	64.9 Å²	64.9	17%	0.169	40%	0.404	C	S	.	.			trans	-77.6	163.9	170.4	-58.8	0	0	0	0	110.1	D414 G415 N418 S445 C447	D414-C420 HydrophobicContact CB-CB 4.22Å; D414-C420 VanDerWaalsContact OD1-CB 3.23Å; D414-C420 WeakPolarHBondContact OD1-CB 3.28Å; G415-C420 WeakPolarHBondContact CA-O 3.02Å; G415-C420 PolarHBondContact N-O 3.27Å; N418-C420 PolarHBondContact OD1-N 2.97Å; N418-C420 PolarHBondContact OD1-O 3.08Å; C420-S445 PolarHBondContact SG-OG 2.83Å; C420-C447 HydrophobicContact CB-CB 3.95Å; C420-C447 WeakPolarHBondContact CB-SG 3.36Å; C420-C447 PolarHBondContact N-SG 3.38Å; C420-C447 VanDerWaalsContact N-SG 3.39Å; C420-C447 WeakPolarHBondContact SG-CB 3.2Å; C420-C447 PolarHBondContact SG-N 2.87Å; C420-C447 CovalentContact SG-SG 2.05Å; C420-C447 PolarHBondContact SG-SG 3.36Å
421	G	65.9	Low	73	Confident	33 Å²	33	64.2 Å²	64.2	34%	0.34	40%	0.398	S	S	.	.	S	Bend	trans	121.7	176.9	-177.6	0	0	0	0	0	113.7	K423	G421-K423 PolarHBondContact O-N 2.97Å
422	T	58.7	Low	72.7	Confident	112 Å²	112	64.9 Å²	64.9	69%	0.687	40%	0.403	S	S	*	.			trans	-75.6	76.8	-161.4	43.5	0	0	0	0	114.8	G424 A428	T422-G424 PolarHBondContact O-N 3.07Å; T422-A428 HydrophobicContact CG2-CB 4.4Å
423	K	50.6	Low	72.1	Confident	162 Å²	162	62.6 Å²	62.6	70%	0.704	39%	0.394	S	S	*	.			trans	-72.4	58.8	166.6	-68.3	-178.5	-177.3	169.1	0	112.5	G421 H425	G421-K423 PolarHBondContact O-N 2.97Å; K423-H425 PolarHBondContact O-N 3.44Å
424	G	48.9	Very low	71.4	Confident	68 Å²	68	66.3 Å²	66.3	70%	0.701	41%	0.411	S	S	*	.	S	Bend	trans	69.9	-28.9	167	0	0	0	0	0	118.4	T422	T422-G424 PolarHBondContact O-N 3.07Å
425	H	52.7	Low	70.6	Confident	187 Å²	187	66.8 Å²	66.8	87%	0.866	41%	0.413	S	S	*	.	S	Bend	trans	-135.3	-16.6	-168.6	-62	-58.1	0	0	0	115.8	K423	K423-H425 PolarHBondContact O-N 3.44Å
426	E	59.9	Low	70.3	Confident	151 Å²	151	67.4 Å²	67.4	71%	0.706	41%	0.408	S	S	*	.	S	Bend	trans	-93	139.1	179.2	-68.1	-176.5	174.2	0	0	111.8
427	A	66	Low	69.8	Low	46 Å²	46	65.1 Å²	65.1	38%	0.38	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-68.7	135.3	175.3	0	0	0	0	0	111.1	N438 N440	A427-N438 CarbonylContact C-O 3.29Å; A427-N438 WeakPolarHBondContact CA-O 3.34Å; A427-N438 WeakPolarHBondContact CB-O 3.38Å; A427-N440 HydrophobicContact CB-CB 4.18Å
428	A	73.3	Confident	69.9	Low	18 Å²	18	67.1 Å²	67.1	15%	0.149	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-62.1	151.3	178.8	0	0	0	0	0	111.1	T422 A432 N438 T439 N440	T422-A428 HydrophobicContact CG2-CB 4.4Å; A428-A432 HydrophobicContact CB-CB 3.82Å; A428-N438 PolarHBondContact N-O 3.39Å; A428-T439 HydrophobicContact CB-CG2 4.28Å; A428-T439 CarbonylContact O-C 3.38Å; A428-T439 WeakPolarHBondContact O-CA 3.31Å; A428-N440 PolarHBondContact O-N 3.47Å
429	K	86.1	Confident	69.4	Low	63 Å²	63	66.4 Å²	66.4	27%	0.274	39%	0.391	S	S	.	.			trans	-103.3	178.6	-172.9	-62.1	-53.3	-168.9	179	0	112.3	M431 A432 S443	K429-M431 PolarHBondContact O-N 3.35Å; K429-A432 WeakPolarHBondContact O-CB 3.47Å; K429-A432 PolarHBondContact O-N 3.3Å; K429-S443 WeakPolarHBondContact CB-O 3.24Å; K429-S443 WeakPolarHBondContact CD-OG 3.38Å; K429-S443 PolarHBondContact NZ-OG 2.95Å
430	L	86.6	Confident	69.3	Low	10 Å²	10	64.1 Å²	64.1	5%	0.052	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.5	-176.9	-177.1	55.4	0	0	0	113.6	L285 F399 A402 H403 A432 P441 S443 W444	L285-L430 HydrophobicContact CB-CD2 4.32Å; L285-L430 HydrophobicContact CD1-CD2 4.17Å; L285-L430 HydrophobicContact CD2-CD2 4.41Å; F399-L430 HydrophobicContact CB-CD1 4.08Å; F399-L430 HydrophobicContact CD1-CD1 4.39Å; A402-L430 HydrophobicContact CB-CD2 3.95Å; H403-L430 PolarHBondContact ND1-O 2.85Å; L430-A432 VanDerWaalsContact C-N 3.28Å; L430-A432 PolarHBondContact O-N 3.24Å; L430-P441 HydrophobicContact CD1-CB 4.25Å; L430-S443 PolarHBondContact N-O 3.32Å; L430-W444 HydrophobicContact CB-CE3 4.33Å; L430-W444 HydrophobicContact CD2-CD2 4.08Å; L430-W444 HydrophobicContact CD2-CE3 4.05Å; L430-W444 HydrophobicContact CD2-CH2 3.56Å; L430-W444 HydrophobicContact CD2-CZ2 3.58Å; L430-W444 HydrophobicContact CD2-CZ3 3.8Å; L430-W444 HydrophobicContact CG-CE3 4.43Å; L430-W444 HydrophobicContact CG-CH2 4.39Å; L430-W444 HydrophobicContact CG-CZ3 4.21Å
431	M	89.9	Confident	69.2	Low	0 Å²	0	63.2 Å²	63.2	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	18.2	174.7	-63	-52.3	-56	0	0	114.2	H403 M411 H413 D414 K429 W444 S448	H403-M431 HydrophobicContact CB-SD 4.42Å; M411-M431 HydrophobicContact CB-CE 4.02Å; M411-M431 HydrophobicContact CB-CG 4.17Å; M411-M431 HydrophobicContact CB-SD 4.31Å; M411-M431 HydrophobicContact SD-CG 3.74Å; M411-M431 HydrophobicContact SD-SD 3.94Å; H413-M431 CarbonylContact C-O 3.59Å; H413-M431 WeakPolarHBondContact CA-O 3.48Å; D414-M431 PolarHBondContact N-O 3.05Å; K429-M431 PolarHBondContact O-N 3.35Å; M431-W444 HydrophobicContact CG-CE3 4.12Å; M431-W444 HydrophobicContact CG-CZ3 4.07Å; M431-W444 HydrophobicContact SD-CZ3 3.89Å; M431-S448 WeakPolarHBondContact CG-OG 3.21Å
432	A	85.3	Confident	69.8	Low	13 Å²	13	62.4 Å²	62.4	11%	0.107	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-68.3	138.1	172	0	0	0	0	0	111.4	H403 A428 K429 L430 H434	H403-A432 PolarHBondContact CE1-O 3.09Å; A428-A432 HydrophobicContact CB-CB 3.82Å; K429-A432 WeakPolarHBondContact O-CB 3.47Å; K429-A432 PolarHBondContact O-N 3.3Å; L430-A432 VanDerWaalsContact C-N 3.28Å; L430-A432 PolarHBondContact O-N 3.24Å; A432-H434 PolarHBondContact O-N 2.79Å
433	A	76.3	Confident	71	Confident	19 Å²	19	57.9 Å²	57.9	16%	0.157	33%	0.325	C	S	.	.	S	Bend	trans	-60.9	-19.6	-179.8	0	0	0	0	0	114.3	H413 I416	H413-A433 HydrophobicContact CB-CB 4.25Å; H413-A433 WeakPolarHBondContact ND1-CB 3.03Å; I416-A433 HydrophobicContact CD1-CB 4.19Å
434	H	71.4	Confident	72.9	Confident	97 Å²	97	50.5 Å²	50.5	45%	0.449	29%	0.293	S	S	.	.	S	Bend	trans	-138.8	133.7	179.6	-55.8	-35.1	0	0	0	110.5	A432 T436	A432-H434 PolarHBondContact O-N 2.79Å; H434-T436 HydrophobicContact CB-CG2 4.26Å
435	I	67.8	Low	74.8	Confident	26 Å²	26	47.6 Å²	47.6	13%	0.133	26%	0.262	C	S	.	.			trans	-76.3	132.1	165.7	-59	175.6	0	0	0	108.1	S523 I524	I435-S523 VanDerWaalsContact CG2-O 3.25Å; I435-S523 WeakPolarHBondContact CG2-O 3.05Å; I435-I524 HydrophobicContact CG2-CG1 4.24Å
436	T	67.8	Low	76.5	Confident	60 Å²	60	40.7 Å²	40.7	37%	0.368	24%	0.237	S	C	.	.			trans	-148.8	163.9	-177.5	69.3	0	0	0	0	109.9	H434 N438 T439	H434-T436 HydrophobicContact CB-CG2 4.26Å; T436-N438 PolarHBondContact O-N 2.03Å; T436-N438 PolarHBondContact OG1-N 2.77Å; T436-T439 PolarHBondContact N-OG1 2.67Å; T436-T439 VanDerWaalsContact O-CB 3.25Å; T436-T439 WeakPolarHBondContact O-CB 3.38Å; T436-T439 PolarHBondContact O-N 3.32Å; T436-T439 PolarHBondContact O-OG1 2.75Å; T436-T439 PolarHBondContact OG1-OG1 3.25Å; T436-T439 VanDerWaalsContact OG1-OG1 3.05Å
437	A	60.3	Low	77.9	Confident	56 Å²	56	34.1 Å²	34.1	46%	0.463	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.9	177	0	0	0	0	0	114.6	E509 S523	A437-E509 WeakPolarHBondContact CB-OE1 3.1Å; A437-S523 PolarHBondContact N-OG 2.86Å
438	N	64.9	Low	79.1	Confident	130 Å²	130	31.9 Å²	31.9	70%	0.695	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	19.5	174.4	-70.4	-22	0	0	0	112.7	A427 A428 T436	A427-N438 CarbonylContact C-O 3.29Å; A427-N438 WeakPolarHBondContact CA-O 3.34Å; A427-N438 WeakPolarHBondContact CB-O 3.38Å; A428-N438 PolarHBondContact N-O 3.39Å; T436-N438 PolarHBondContact O-N 2.03Å; T436-N438 PolarHBondContact OG1-N 2.77Å
439	T	69.1	Low	80	Confident	20 Å²	20	35 Å²	35	12%	0.123	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-97.6	130.7	174.1	-55.2	0	0	0	0	109.7	A428 T436 P441	A428-T439 HydrophobicContact CB-CG2 4.28Å; A428-T439 CarbonylContact O-C 3.38Å; A428-T439 WeakPolarHBondContact O-CA 3.31Å; T436-T439 PolarHBondContact N-OG1 2.67Å; T436-T439 VanDerWaalsContact O-CB 3.25Å; T436-T439 WeakPolarHBondContact O-CB 3.38Å; T436-T439 PolarHBondContact O-N 3.32Å; T436-T439 PolarHBondContact O-OG1 2.75Å; T436-T439 PolarHBondContact OG1-OG1 3.25Å; T436-T439 VanDerWaalsContact OG1-OG1 3.05Å; T439-P441 HydrophobicContact CG2-CB 4.5Å; T439-P441 VanDerWaalsContact O-CD 3.27Å; T439-P441 WeakPolarHBondContact O-CD 3.39Å
440	N	75.6	Confident	80	Confident	51 Å²	51	36.4 Å²	36.4	27%	0.273	21%	0.208	S	C	.	.			trans	-102.8	93.6	165.4	179.1	-35.3	0	0	0	107.9	A427 A428 F442 S443	A427-N440 HydrophobicContact CB-CB 4.18Å; A428-N440 PolarHBondContact O-N 3.47Å; N440-F442 PolarHBondContact O-N 3.15Å; N440-F442 PolarHBondContact OD1-N 2.63Å; N440-F442 VanDerWaalsContact OD1-N 3.11Å; N440-S443 PolarHBondContact OD1-OG 2.76Å
441	P	75.9	Confident	80.2	Confident	6 Å²	6	39 Å²	39	4%	0.039	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.5	-176.7	36.8	-39.2	0	0	0	112.9	L285 F399 L430 T439 S443 P525	L285-P441 VanDerWaalsContact CD2-O 3.28Å; L285-P441 WeakPolarHBondContact CD2-O 3.28Å; F399-P441 HydrophobicContact CB-CB 4.32Å; F399-P441 HydrophobicContact CD1-CB 3.53Å; F399-P441 HydrophobicContact CD1-CG 3.86Å; F399-P441 HydrophobicContact CD2-CB 4.47Å; F399-P441 HydrophobicContact CD2-CG 4.31Å; F399-P441 HydrophobicContact CE1-CB 3.87Å; F399-P441 HydrophobicContact CE1-CG 3.71Å; F399-P441 HydrophobicContact CE2-CG 4.19Å; F399-P441 HydrophobicContact CG-CB 3.86Å; F399-P441 HydrophobicContact CG-CG 4.16Å; F399-P441 HydrophobicContact CZ-CB 4.48Å; F399-P441 HydrophobicContact CZ-CG 3.88Å; L430-P441 HydrophobicContact CD1-CB 4.25Å; T439-P441 HydrophobicContact CG2-CB 4.5Å; T439-P441 VanDerWaalsContact O-CD 3.27Å; T439-P441 WeakPolarHBondContact O-CD 3.39Å; P441-S443 VanDerWaalsContact C-N 3.28Å; P441-P525 HydrophobicContact CG-CG 3.85Å
442	F	78.9	Confident	80.2	Confident	16 Å²	16	39 Å²	39	7%	0.07	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	3.5	176	-57.3	-75.4	0	0	0	113.4	L285 F399 N440 P525 E528 Q544	L285-F442 HydrophobicContact CD2-CD1 4.42Å; F399-F442 AromaticContact CE1-CD1 3.99Å; F399-F442 HydrophobicContact CE1-CD1 3.99Å; F399-F442 AromaticContact CE1-CE1 3.82Å; F399-F442 HydrophobicContact CE1-CE1 3.82Å; F399-F442 HydrophobicContact CE1-CZ 4.33Å; F399-F442 HydrophobicContact CZ-CD1 4.29Å; F399-F442 AromaticContact CZ-CE1 3.66Å; F399-F442 HydrophobicContact CZ-CE1 3.66Å; F399-F442 AromaticContact CZ-CZ 3.83Å; F399-F442 HydrophobicContact CZ-CZ 3.83Å; N440-F442 PolarHBondContact O-N 3.15Å; N440-F442 PolarHBondContact OD1-N 2.63Å; N440-F442 VanDerWaalsContact OD1-N 3.11Å; F442-P525 HydrophobicContact CE2-CB 3.87Å; F442-P525 HydrophobicContact CE2-CG 3.52Å; F442-P525 HydrophobicContact CZ-CB 4.1Å; F442-P525 HydrophobicContact CZ-CG 3.68Å; F442-E528 HydrophobicContact CE1-CG 4.21Å; F442-Q544 WeakPolarHBondContact CD2-O 3.44Å
443	S	84.9	Confident	80.3	Confident	17 Å²	17	39.7 Å²	39.7	12%	0.119	22%	0.22	C	C	.	.	S	Bend	trans	-144.5	146.4	-178.7	50.9	0	0	0	0	112.9	K429 L430 N440 P441	K429-S443 WeakPolarHBondContact CB-O 3.24Å; K429-S443 WeakPolarHBondContact CD-OG 3.38Å; K429-S443 PolarHBondContact NZ-OG 2.95Å; L430-S443 PolarHBondContact N-O 3.32Å; N440-S443 PolarHBondContact OD1-OG 2.76Å; P441-S443 VanDerWaalsContact C-N 3.28Å
444	W	89.4	Confident	80.7	Confident	6 Å²	6	42.5 Å²	42.5	2%	0.023	24%	0.239	C	C	.	.			trans	-87.3	160.7	177.5	-57.3	92.6	0	0	0	111.1	L285 Y286 S290 L291 M411 L430 M431	L285-W444 PolarHBondContact O-NE1 3.28Å; Y286-W444 HydrophobicContact CD1-CZ2 4.16Å; Y286-W444 HydrophobicContact CD2-CZ2 4.22Å; Y286-W444 AromaticContact CE1-CH2 3.95Å; Y286-W444 HydrophobicContact CE1-CH2 3.95Å; Y286-W444 AromaticContact CE1-CZ2 3.94Å; Y286-W444 HydrophobicContact CE1-CZ2 3.94Å; Y286-W444 AromaticContact CE2-CH2 3.97Å; Y286-W444 HydrophobicContact CE2-CH2 3.97Å; Y286-W444 HydrophobicContact CE2-CZ2 4.01Å; Y286-W444 HydrophobicContact CG-CZ2 4.29Å; Y286-W444 AromaticContact CZ-CH2 3.57Å; Y286-W444 AromaticContact CZ-CZ2 3.84Å; S290-W444 PolarHBondContact OG-N 3.36Å; L291-W444 HydrophobicContact CB-CG 4.15Å; L291-W444 HydrophobicContact CD1-CD2 3.76Å; L291-W444 HydrophobicContact CD1-CE3 4.22Å; L291-W444 HydrophobicContact CD1-CG 3.96Å; L291-W444 HydrophobicContact CD1-CZ2 4.29Å; M411-W444 HydrophobicContact CE-CE3 3.95Å; M411-W444 HydrophobicContact CE-CH2 4.26Å; M411-W444 HydrophobicContact CE-CZ3 3.72Å; M411-W444 HydrophobicContact SD-CE3 3.74Å; M411-W444 HydrophobicContact SD-CH2 4.46Å; M411-W444 HydrophobicContact SD-CZ3 3.48Å; M411-W444 WeakPolarHBondContact SD-CZ3 2.99Å; L430-W444 HydrophobicContact CB-CE3 4.33Å; L430-W444 HydrophobicContact CD2-CD2 4.08Å; L430-W444 HydrophobicContact CD2-CE3 4.05Å; L430-W444 HydrophobicContact CD2-CH2 3.56Å; L430-W444 HydrophobicContact CD2-CZ2 3.58Å; L430-W444 HydrophobicContact CD2-CZ3 3.8Å; L430-W444 HydrophobicContact CG-CE3 4.43Å; L430-W444 HydrophobicContact CG-CH2 4.39Å; L430-W444 HydrophobicContact CG-CZ3 4.21Å; M431-W444 HydrophobicContact CG-CE3 4.12Å; M431-W444 HydrophobicContact CG-CZ3 4.07Å; M431-W444 HydrophobicContact SD-CZ3 3.89Å
445	S	89.9	Confident	81.4	Confident	8 Å²	8	38.3 Å²	38.3	6%	0.056	22%	0.219	C	C	.	.			trans	-88	167.4	173.4	90	0	0	0	0	111.8	D414 C420 C447 S448 R449	D414-S445 WeakPolarHBondContact OD1-CB 3.44Å; D414-S445 PolarHBondContact OD1-OG 3.23Å; D414-S445 WeakPolarHBondContact OD2-CB 3.34Å; C420-S445 PolarHBondContact SG-OG 2.83Å; S445-C447 PolarHBondContact O-N 3.49Å; S445-C447 WeakPolarHBondContact OG-CB 3.15Å; S445-C447 PolarHBondContact OG-N 3.46Å; S445-C447 VanDerWaalsContact OG-N 3.1Å; S445-S448 PolarHBondContact N-OG 3.5Å; S445-S448 VanDerWaalsContact N-OG 3.16Å; S445-S448 WeakPolarHBondContact O-CB 3.49Å; S445-S448 PolarHBondContact O-N 3.33Å; S445-S448 PolarHBondContact OG-N 3.47Å; S445-S448 PolarHBondContact OG-OG 2.77Å; S445-S448 VanDerWaalsContact OG-OG 3.07Å; S445-R449 PolarHBondContact O-N 2.68Å; S445-R449 VanDerWaalsContact O-N 3.1Å
446	A	88.1	Confident	82.4	Confident	42 Å²	42	37.5 Å²	37.5	35%	0.347	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-41.1	169.5	0	0	0	0	0	111.3	R449 D450	A446-R449 PolarHBondContact O-N 3.1Å; A446-D450 WeakPolarHBondContact O-CB 3.06Å; A446-D450 PolarHBondContact O-N 2.82Å
447	C	89.4	Confident	82.9	Confident	12 Å²	12	35.2 Å²	35.2	8%	0.081	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-43	177.9	-53	0	0	0	0	111.3	N418 C420 S445 R449 D450 Y451	N418-C447 HydrophobicContact CB-CB 4.4Å; C420-C447 HydrophobicContact CB-CB 3.95Å; C420-C447 WeakPolarHBondContact CB-SG 3.36Å; C420-C447 PolarHBondContact N-SG 3.38Å; C420-C447 VanDerWaalsContact N-SG 3.39Å; C420-C447 WeakPolarHBondContact SG-CB 3.2Å; C420-C447 PolarHBondContact SG-N 2.87Å; C420-C447 CovalentContact SG-SG 2.05Å; C420-C447 PolarHBondContact SG-SG 3.36Å; S445-C447 PolarHBondContact O-N 3.49Å; S445-C447 WeakPolarHBondContact OG-CB 3.15Å; S445-C447 PolarHBondContact OG-N 3.46Å; S445-C447 VanDerWaalsContact OG-N 3.1Å; C447-R449 VanDerWaalsContact C-N 3.35Å; C447-R449 PolarHBondContact O-N 3.39Å; C447-D450 PolarHBondContact O-N 3.01Å; C447-Y451 HydrophobicContact CB-CD2 4.45Å; C447-Y451 HydrophobicContact CB-CE2 4.1Å; C447-Y451 WeakPolarHBondContact O-CD2 3.42Å; C447-Y451 PolarHBondContact O-N 2.93Å
448	S	91.3	Very high	83.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55	-49.2	174.2	-46.5	0	0	0	0	111.8	M431 S445 Y451 I452	M431-S448 WeakPolarHBondContact CG-OG 3.21Å; S445-S448 PolarHBondContact N-OG 3.5Å; S445-S448 VanDerWaalsContact N-OG 3.16Å; S445-S448 WeakPolarHBondContact O-CB 3.49Å; S445-S448 PolarHBondContact O-N 3.33Å; S445-S448 PolarHBondContact OG-N 3.47Å; S445-S448 PolarHBondContact OG-OG 2.77Å; S445-S448 VanDerWaalsContact OG-OG 3.07Å; S448-Y451 PolarHBondContact O-N 3.23Å; S448-I452 WeakPolarHBondContact O-CG2 3.19Å; S448-I452 PolarHBondContact O-N 3.14Å; S448-I452 VanDerWaalsContact O-N 3.16Å
449	R	90.5	Very high	84	Confident	82 Å²	82	29.4 Å²	29.4	31%	0.309	17%	0.17	S	C	.	.	H	α-helix	trans	-59.6	-45.2	175.6	166.6	178.8	66.9	-123.3	5.1	112	S290 L291 S445 A446 C447 I452 T453	S290-R449 PolarHBondContact O-NH1 2.81Å; L291-R449 WeakPolarHBondContact O-CB 3.09Å; L291-R449 WeakPolarHBondContact O-CG 3.48Å; S445-R449 PolarHBondContact O-N 2.68Å; S445-R449 VanDerWaalsContact O-N 3.1Å; A446-R449 PolarHBondContact O-N 3.1Å; C447-R449 VanDerWaalsContact C-N 3.35Å; C447-R449 PolarHBondContact O-N 3.39Å; R449-I452 WeakPolarHBondContact O-CG2 3.5Å; R449-T453 WeakPolarHBondContact O-CB 3.33Å; R449-T453 PolarHBondContact O-N 3.24Å; R449-T453 PolarHBondContact O-OG1 3.39Å
450	D	87.8	Confident	84.3	Confident	93 Å²	93	32.5 Å²	32.5	50%	0.497	18%	0.18	S	C	.	.	H	α-helix	trans	-71.3	-35	-174.9	-63	-12.2	0	0	0	111	A446 C447 S454	A446-D450 WeakPolarHBondContact O-CB 3.06Å; A446-D450 PolarHBondContact O-N 2.82Å; C447-D450 PolarHBondContact O-N 3.01Å; D450-S454 WeakPolarHBondContact O-CB 3.17Å; D450-S454 PolarHBondContact O-N 2.77Å
451	Y	89.5	Confident	84.7	Confident	65 Å²	65	30.1 Å²	30.1	26%	0.255	17%	0.167	S	C	.	.	H	α-helix	trans	-61.2	-55.4	171.3	-72.4	-55	0	0	0	112.3	M411 N412 N418 C447 S448 T453 S454 F455	M411-Y451 HydrophobicContact CB-CD2 4.25Å; N412-Y451 HydrophobicContact CB-CE2 3.93Å; N418-Y451 PolarHBondContact ND2-OH 2.95Å; C447-Y451 HydrophobicContact CB-CD2 4.45Å; C447-Y451 HydrophobicContact CB-CE2 4.1Å; C447-Y451 WeakPolarHBondContact O-CD2 3.42Å; C447-Y451 PolarHBondContact O-N 2.93Å; S448-Y451 PolarHBondContact O-N 3.23Å; Y451-T453 VanDerWaalsContact C-N 3.33Å; Y451-T453 PolarHBondContact O-N 2.85Å; Y451-S454 WeakPolarHBondContact O-CB 3.34Å; Y451-S454 PolarHBondContact O-N 2.96Å; Y451-F455 PolarHBondContact O-N 3.28Å
452	I	91	Very high	84.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.9	-33.3	-179.6	-169.8	172.3	0	0	0	112.3	L291 V295 F409 M411 S448 R449 S454 F455 L456	L291-I452 HydrophobicContact CD1-CD1 4.2Å; L291-I452 HydrophobicContact CD1-CG2 3.8Å; L291-I452 HydrophobicContact CD2-CD1 4.43Å; L291-I452 HydrophobicContact CG-CG2 4.32Å; V295-I452 HydrophobicContact CG2-CD1 4.04Å; F409-I452 HydrophobicContact CB-CB 4.4Å; F409-I452 HydrophobicContact CB-CD1 4.03Å; F409-I452 HydrophobicContact CB-CG1 4.02Å; F409-I452 HydrophobicContact CD1-CD1 3.6Å; F409-I452 HydrophobicContact CD1-CG1 3.68Å; F409-I452 HydrophobicContact CD2-CD1 3.78Å; F409-I452 HydrophobicContact CE1-CD1 3.9Å; F409-I452 HydrophobicContact CE1-CG1 4.26Å; F409-I452 HydrophobicContact CE2-CD1 4.07Å; F409-I452 HydrophobicContact CG-CD1 3.53Å; F409-I452 HydrophobicContact CG-CG1 3.88Å; F409-I452 HydrophobicContact CZ-CD1 4.12Å; M411-I452 HydrophobicContact CE-CB 3.78Å; M411-I452 HydrophobicContact CE-CD1 4.01Å; M411-I452 HydrophobicContact CE-CG1 4.44Å; M411-I452 HydrophobicContact CE-CG2 3.94Å; S448-I452 WeakPolarHBondContact O-CG2 3.19Å; S448-I452 PolarHBondContact O-N 3.14Å; S448-I452 VanDerWaalsContact O-N 3.16Å; R449-I452 WeakPolarHBondContact O-CG2 3.5Å; I452-S454 VanDerWaalsContact C-N 3.35Å; I452-F455 PolarHBondContact O-N 3.41Å; I452-L456 HydrophobicContact CD1-CD1 4.48Å; I452-L456 HydrophobicContact CG1-CD1 3.98Å; I452-L456 HydrophobicContact CG1-CG 4.17Å; I452-L456 WeakPolarHBondContact O-CB 3.35Å; I452-L456 WeakPolarHBondContact O-CG 3.3Å; I452-L456 PolarHBondContact O-N 3.48Å
453	T	87.7	Confident	85.1	Confident	28 Å²	28	33.3 Å²	33.3	17%	0.172	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-49.9	170.5	-68.1	0	0	0	0	110.6	N293 R449 Y451 D457	N293-T453 PolarHBondContact ND2-OG1 2.77Å; R449-T453 WeakPolarHBondContact O-CB 3.33Å; R449-T453 PolarHBondContact O-N 3.24Å; R449-T453 PolarHBondContact O-OG1 3.39Å; Y451-T453 VanDerWaalsContact C-N 3.33Å; Y451-T453 PolarHBondContact O-N 2.85Å; T453-D457 VanDerWaalsContact O-CB 3.29Å; T453-D457 WeakPolarHBondContact O-CB 3.35Å; T453-D457 PolarHBondContact O-N 3.36Å
454	S	83.8	Confident	85.2	Confident	77 Å²	77	32.5 Å²	32.5	54%	0.538	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-44.3	177	-171.9	0	0	0	0	111.8	D450 Y451 I452 L456 D457 S458	D450-S454 WeakPolarHBondContact O-CB 3.17Å; D450-S454 PolarHBondContact O-N 2.77Å; Y451-S454 WeakPolarHBondContact O-CB 3.34Å; Y451-S454 PolarHBondContact O-N 2.96Å; I452-S454 VanDerWaalsContact C-N 3.35Å; S454-L456 PolarHBondContact O-N 3.15Å; S454-D457 PolarHBondContact O-N 2.91Å; S454-S458 WeakPolarHBondContact O-CB 3.29Å; S454-S458 PolarHBondContact O-N 2.77Å; S454-S458 PolarHBondContact O-OG 3.35Å
455	F	87	Confident	84.8	Confident	9 Å²	9	35.1 Å²	35.1	4%	0.039	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-49.9	177.5	-176.5	-85.4	0	0	0	112	A378 M380 F409 Y451 I452 S458 R460	A378-F455 HydrophobicContact CB-CD2 4.37Å; A378-F455 HydrophobicContact CB-CE2 4.21Å; M380-F455 HydrophobicContact CB-CE1 4.04Å; M380-F455 HydrophobicContact CB-CZ 3.74Å; M380-F455 HydrophobicContact CG-CE1 4.25Å; M380-F455 HydrophobicContact CG-CZ 4.38Å; F409-F455 HydrophobicContact CD1-CD1 4.01Å; F409-F455 HydrophobicContact CD1-CE1 4.22Å; F409-F455 VanDerWaalsContact O-CB 3.31Å; F409-F455 WeakPolarHBondContact O-CB 3.46Å; F409-F455 WeakPolarHBondContact O-CD2 3.28Å; F409-F455 WeakPolarHBondContact O-CG 3.43Å; Y451-F455 PolarHBondContact O-N 3.28Å; I452-F455 PolarHBondContact O-N 3.41Å; F455-S458 PolarHBondContact O-N 2.87Å; F455-S458 PolarHBondContact O-OG 2.86Å; F455-R460 HydrophobicContact CD1-CB 4.29Å; F455-R460 HydrophobicContact CD2-CB 4.15Å; F455-R460 HydrophobicContact CE1-CB 3.86Å; F455-R460 HydrophobicContact CE2-CB 3.71Å; F455-R460 HydrophobicContact CG-CB 4.41Å; F455-R460 HydrophobicContact CZ-CB 3.53Å; F455-R460 PolarHBondContact O-N 2.03Å
456	L	87.2	Confident	84	Confident	9 Å²	9	38 Å²	38	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-68.2	-45.8	179.6	-66.7	174.9	0	0	0	112.1	R250 N293 F409 I452 S454 S458 G459 L464	R250-L456 HydrophobicContact CG-CD1 3.98Å; R250-L456 HydrophobicContact CG-CD2 4.06Å; N293-L456 HydrophobicContact CB-CD1 4.11Å; F409-L456 HydrophobicContact CE1-CD2 4.33Å; I452-L456 HydrophobicContact CD1-CD1 4.48Å; I452-L456 HydrophobicContact CG1-CD1 3.98Å; I452-L456 HydrophobicContact CG1-CG 4.17Å; I452-L456 WeakPolarHBondContact O-CB 3.35Å; I452-L456 WeakPolarHBondContact O-CG 3.3Å; I452-L456 PolarHBondContact O-N 3.48Å; S454-L456 PolarHBondContact O-N 3.15Å; L456-S458 PolarHBondContact O-N 2.93Å; L456-G459 PolarHBondContact O-N 2.95Å; L456-G459 VanDerWaalsContact O-N 3.17Å; L456-L464 HydrophobicContact CD2-CD1 4.19Å
457	D	79.7	Confident	82.9	Confident	13 Å²	13	41.1 Å²	41.1	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-70.1	-18.3	177.7	-78.7	-0.1	0	0	0	112.6	R244 S245 T453 S454 G459 R601 N685	R244-D457 WeakPolarHBondContact CD-O 3.21Å; R244-D457 WeakPolarHBondContact CG-O 3.31Å; R244-D457 PolarHBondContact NH1-O 2.86Å; S245-D457 WeakPolarHBondContact CA-OD1 3.46Å; S245-D457 WeakPolarHBondContact CA-OD2 3.47Å; S245-D457 WeakPolarHBondContact CB-OD2 3.15Å; S245-D457 PolarHBondContact N-OD1 3.09Å; S245-D457 VanDerWaalsContact N-OD1 3.11Å; S245-D457 PolarHBondContact OG-OD2 3.17Å; T453-D457 VanDerWaalsContact O-CB 3.29Å; T453-D457 WeakPolarHBondContact O-CB 3.35Å; T453-D457 PolarHBondContact O-N 3.36Å; S454-D457 PolarHBondContact O-N 2.91Å; D457-G459 PolarHBondContact O-N 3.2Å; D457-R601 VanDerWaalsContact CG-NH2 3.27Å; D457-R601 IonicContact OD1-CZ 3.89Å; D457-R601 IonicContact OD1-NE 3.47Å; D457-R601 IonicContact OD1-NH2 2.62Å; D457-R601 PolarHBondContact OD1-NH2 2.8Å; D457-R601 IonicContact OD2-CZ 3.54Å; D457-R601 IonicContact OD2-NE 2.77Å; D457-R601 PolarHBondContact OD2-NE 3.44Å; D457-R601 IonicContact OD2-NH2 3.51Å; D457-N685 WeakPolarHBondContact CB-ND2 3.28Å; D457-N685 PolarHBondContact O-ND2 2.96Å
458	S	73.4	Confident	81.4	Confident	40 Å²	40	41.8 Å²	41.8	28%	0.28	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.6	172.8	76.2	0	0	0	0	114	R244 S454 F455 L456 R460	R244-S458 VanDerWaalsContact CZ-C 3.42Å; R244-S458 VanDerWaalsContact CZ-O 3.22Å; R244-S458 VanDerWaalsContact NH1-CA 3.33Å; R244-S458 PolarHBondContact NH1-O 3.21Å; R244-S458 PolarHBondContact NH2-O 3.06Å; S454-S458 WeakPolarHBondContact O-CB 3.29Å; S454-S458 PolarHBondContact O-N 2.77Å; S454-S458 PolarHBondContact O-OG 3.35Å; F455-S458 PolarHBondContact O-N 2.87Å; F455-S458 PolarHBondContact O-OG 2.86Å; L456-S458 PolarHBondContact O-N 2.93Å; S458-R460 WeakPolarHBondContact OG-CG 3.5Å
459	G	73.5	Confident	79.5	Confident	23 Å²	23	45 Å²	45	24%	0.237	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	29.7	-179.4	0	0	0	0	0	113.6	L456 D457	L456-G459 PolarHBondContact O-N 2.95Å; L456-G459 VanDerWaalsContact O-N 3.17Å; D457-G459 PolarHBondContact O-N 3.2Å
460	R	76.9	Confident	76.9	Confident	85 Å²	85	49.1 Å²	49.1	32%	0.321	27%	0.265	S	S	.	.			trans	-90.8	-24.6	172	-67.9	-177.9	72.3	-160.2	-2.3	113.3	A378 C381 E382 F455 S458 T462	A378-R460 VanDerWaalsContact CB-NH1 3.28Å; A378-R460 PolarHBondContact O-NH2 2.79Å; C381-R460 WeakPolarHBondContact CB-O 3.45Å; E382-R460 IonicContact OE1-CZ 2.72Å; E382-R460 IonicContact OE1-NE 2.64Å; E382-R460 IonicContact OE1-NH2 3.74Å; E382-R460 PolarHBondContact OE1-NH2 2.86Å; F455-R460 HydrophobicContact CD1-CB 4.29Å; F455-R460 HydrophobicContact CD2-CB 4.15Å; F455-R460 HydrophobicContact CE1-CB 3.86Å; F455-R460 HydrophobicContact CE2-CB 3.71Å; F455-R460 HydrophobicContact CG-CB 4.41Å; F455-R460 HydrophobicContact CZ-CB 3.53Å; F455-R460 PolarHBondContact O-N 2.03Å; S458-R460 WeakPolarHBondContact OG-CG 3.5Å; R460-T462 VanDerWaalsContact C-N 3.3Å; R460-T462 PolarHBondContact O-N 2.82Å
461	G	82.3	Confident	74.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.01	26%	0.263	C	S	.	.			trans	-86.9	31.9	178	0	0	0	0	0	115.2	C463 L464	G461-C463 VanDerWaalsContact C-N 3.32Å; G461-C463 PolarHBondContact O-N 2.77Å; G461-L464 VanDerWaalsContact O-CB 3.27Å; G461-L464 WeakPolarHBondContact O-CB 3.21Å; G461-L464 WeakPolarHBondContact O-CG 3.44Å; G461-L464 PolarHBondContact O-N 3.03Å; G461-L464 VanDerWaalsContact O-N 3.08Å
462	T	80.3	Confident	72.1	Confident	64 Å²	64	53.9 Å²	53.9	39%	0.393	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-74.2	-17.6	-173.1	52.8	0	0	0	0	114.6	R460 L464 D465	R460-T462 VanDerWaalsContact C-N 3.3Å; R460-T462 PolarHBondContact O-N 2.82Å; T462-L464 PolarHBondContact O-N 3.39Å; T462-D465 WeakPolarHBondContact O-CB 3.27Å; T462-D465 PolarHBondContact O-N 3.43Å
463	C	84.4	Confident	69.8	Low	25 Å²	25	56 Å²	56	17%	0.169	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-68.6	-13.1	167.6	73.3	0	0	0	0	112.7	C381 G461 N466	C381-C463 WeakPolarHBondContact CA-SG 3.22Å; C381-C463 HydrophobicContact CB-CB 3.89Å; C381-C463 WeakPolarHBondContact CB-SG 3.35Å; C381-C463 WeakPolarHBondContact SG-CB 3.28Å; C381-C463 PolarHBondContact SG-N 3.17Å; C381-C463 VanDerWaalsContact SG-N 3.39Å; C381-C463 CovalentContact SG-SG 2.03Å; C381-C463 PolarHBondContact SG-SG 2.89Å; G461-C463 VanDerWaalsContact C-N 3.32Å; G461-C463 PolarHBondContact O-N 2.77Å; C463-N466 PolarHBondContact O-ND2 2.91Å; C463-N466 VanDerWaalsContact O-ND2 3.07Å; C463-N466 PolarHBondContact O-OD1 2.93Å
464	L	87.1	Confident	67.5	Low	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-97.1	9.2	-177.9	-41.1	178.8	0	0	0	112.6	R250 F251 V252 D351 M380 F409 L456 G461 T462	R250-L464 WeakPolarHBondContact CA-O 3.46Å; R250-L464 HydrophobicContact CB-CB 4.15Å; F251-L464 PolarHBondContact N-O 2.64Å; F251-L464 VanDerWaalsContact O-CA 3.31Å; F251-L464 WeakPolarHBondContact O-CA 3.46Å; F251-L464 VanDerWaalsContact O-CB 3.27Å; F251-L464 WeakPolarHBondContact O-CB 3.48Å; F251-L464 WeakPolarHBondContact O-CD2 3.27Å; V252-L464 HydrophobicContact CB-CD2 4.45Å; V252-L464 HydrophobicContact CG1-CD2 4.48Å; V252-L464 HydrophobicContact CG2-CD1 4.32Å; V252-L464 HydrophobicContact CG2-CD2 4.09Å; D351-L464 HydrophobicContact CB-CD2 3.81Å; M380-L464 HydrophobicContact CG-CD1 4.06Å; M380-L464 HydrophobicContact CG-CD2 4.46Å; M380-L464 HydrophobicContact SD-CD2 4.09Å; F409-L464 HydrophobicContact CE1-CD1 3.56Å; F409-L464 HydrophobicContact CZ-CD1 3.87Å; L456-L464 HydrophobicContact CD2-CD1 4.19Å; G461-L464 VanDerWaalsContact O-CB 3.27Å; G461-L464 WeakPolarHBondContact O-CB 3.21Å; G461-L464 WeakPolarHBondContact O-CG 3.44Å; G461-L464 PolarHBondContact O-N 3.03Å; G461-L464 VanDerWaalsContact O-N 3.08Å; T462-L464 PolarHBondContact O-N 3.39Å
465	D	80.9	Confident	65.9	Low	61 Å²	61	56.9 Å²	56.9	33%	0.326	29%	0.291	S	S	.	.			trans	-82.5	-23.2	178	-81.2	49.4	0	0	0	112.5	Q242 R250 T462 E467	Q242-D465 PolarHBondContact NE2-OD2 2.81Å; R250-D465 IonicContact CZ-OD1 3.71Å; R250-D465 IonicContact NH1-OD1 3.55Å; R250-D465 PolarHBondContact NH1-OD1 3.29Å; R250-D465 IonicContact NH1-OD2 3.71Å; R250-D465 IonicContact NH2-OD1 4Å; R250-D465 PolarHBondContact NH2-OD1 3.5Å; T462-D465 WeakPolarHBondContact O-CB 3.27Å; T462-D465 PolarHBondContact O-N 3.43Å; D465-E467 PolarHBondContact O-N 2.94Å
466	N	72.1	Confident	63.8	Low	69 Å²	69	58.1 Å²	58.1	37%	0.369	30%	0.3	S	S	.	.			trans	-75.3	110.8	178.5	28.8	-90.4	0	0	0	111.7	C463 P468	C463-N466 PolarHBondContact O-ND2 2.91Å; C463-N466 VanDerWaalsContact O-ND2 3.07Å; C463-N466 PolarHBondContact O-OD1 2.93Å; N466-P468 VanDerWaalsContact O-CD 3.25Å; N466-P468 WeakPolarHBondContact O-CD 3.31Å
467	E	64.8	Low	61.8	Low	107 Å²	107	62.6 Å²	62.6	50%	0.5	34%	0.339	S	S	.	.			trans	-61.1	113.4	161	-175.8	-177.1	-166.6	0	0	108.6	F251 D465 K470	F251-E467 HydrophobicContact CD2-CB 4.48Å; F251-E467 HydrophobicContact CE2-CB 4.02Å; F251-E467 HydrophobicContact CE2-CG 4.24Å; F251-E467 HydrophobicContact CZ-CB 4.47Å; F251-E467 HydrophobicContact CZ-CG 4.19Å; D465-E467 PolarHBondContact O-N 2.94Å; E467-K470 WeakPolarHBondContact OE1-CE 3.46Å; E467-K470 IonicContact OE1-NZ 2.66Å; E467-K470 VanDerWaalsContact OE2-CE 3.25Å; E467-K470 WeakPolarHBondContact OE2-CE 3.39Å; E467-K470 IonicContact OE2-NZ 3.15Å
468	P	58.1	Low	60.5	Low	26 Å²	26	65.5 Å²	65.5	17%	0.169	36%	0.357	C	S	.	.			trans	-65.1	146.3	178.7	26.4	-32.1	0	0	0	109.6	F251 I298 N466 K470	F251-P468 HydrophobicContact CB-CG 4.37Å; F251-P468 HydrophobicContact CD1-CG 4.13Å; F251-P468 VanDerWaalsContact CG-CD 3.42Å; F251-P468 HydrophobicContact CG-CG 4.3Å; I298-P468 HydrophobicContact CD1-CG 3.6Å; N466-P468 VanDerWaalsContact O-CD 3.25Å; N466-P468 WeakPolarHBondContact O-CD 3.31Å; P468-K470 PolarHBondContact O-N 2.89Å
469	P	50.8	Low	60	Low	69 Å²	69	64.2 Å²	64.2	45%	0.448	35%	0.348	S	S	.	.	S	Bend	trans	-60.5	98.6	-160.6	21.1	-33.8	0	0	0	113.3	I347 R471	I347-P469 HydrophobicContact CD1-CG 4Å; P469-R471 WeakPolarHBondContact O-CB 3.13Å; P469-R471 VanDerWaalsContact O-CD 3.31Å; P469-R471 WeakPolarHBondContact O-CD 3.39Å; P469-R471 WeakPolarHBondContact O-CG 3.42Å; P469-R471 PolarHBondContact O-N 2.91Å
470	K	36.4	Very low	59.6	Low	168 Å²	168	63.4 Å²	63.4	73%	0.73	34%	0.339	S	S	*	.	S	Bend	trans	-4.7	78.6	-177.5	-71.6	-174	172.7	174.4	0	115.9	E467 P468	E467-K470 WeakPolarHBondContact OE1-CE 3.46Å; E467-K470 IonicContact OE1-NZ 2.66Å; E467-K470 VanDerWaalsContact OE2-CE 3.25Å; E467-K470 WeakPolarHBondContact OE2-CE 3.39Å; E467-K470 IonicContact OE2-NZ 3.15Å; P468-K470 PolarHBondContact O-N 2.89Å
471	R	43.2	Very low	59.3	Low	117 Å²	117	59.5 Å²	59.5	44%	0.442	33%	0.325	S	S	.	.			trans	-145.4	107.8	176.9	-73.5	160	-178.9	-177.1	-4.7	106.7	H110 P469 F473	H110-R471 VanDerWaalsContact CD2-CZ 3.48Å; H110-R471 PolarHBondContact CD2-NH1 2.86Å; H110-R471 VanDerWaalsContact CD2-NH1 3.32Å; H110-R471 PolarHBondContact CD2-NH2 3.33Å; H110-R471 PolarHBondContact NE2-NH2 3.47Å; P469-R471 WeakPolarHBondContact O-CB 3.13Å; P469-R471 VanDerWaalsContact O-CD 3.31Å; P469-R471 WeakPolarHBondContact O-CD 3.39Å; P469-R471 WeakPolarHBondContact O-CG 3.42Å; P469-R471 PolarHBondContact O-N 2.91Å; R471-F473 PolarHBondContact O-N 3.46Å
472	D	33.9	Very low	58.6	Low	140 Å²	140	64.3 Å²	64.3	75%	0.749	35%	0.348	S	S	*	.			trans	-63.2	108.6	-179.6	-65.6	-69.8	0	0	0	110.5	L474	D472-L474 VanDerWaalsContact C-N 3.34Å; D472-L474 HydrophobicContact CB-CD1 4.16Å; D472-L474 HydrophobicContact CB-CG 4.03Å; D472-L474 PolarHBondContact O-N 2.72Å
473	F	41.3	Very low	57.8	Low	46 Å²	46	64.8 Å²	64.8	20%	0.202	35%	0.35	C	S	.	.			trans	-74.3	90.3	174.4	-173.4	-91.3	0	0	0	108.9	F111 L276 I298 V299 R471 Y475	F111-F473 HydrophobicContact CD2-CE2 4.03Å; F111-F473 HydrophobicContact CE2-CE2 4.41Å; L276-F473 HydrophobicContact CD2-CZ 4.25Å; I298-F473 HydrophobicContact CG2-CB 4.02Å; I298-F473 HydrophobicContact CG2-CD1 4.46Å; I298-F473 HydrophobicContact CG2-CD2 4.46Å; I298-F473 HydrophobicContact CG2-CG 4.05Å; V299-F473 HydrophobicContact CB-CE1 4Å; V299-F473 HydrophobicContact CB-CE2 4.46Å; V299-F473 HydrophobicContact CB-CZ 3.72Å; V299-F473 HydrophobicContact CG2-CE1 4.39Å; V299-F473 HydrophobicContact CG2-CZ 4.49Å; V299-F473 VanDerWaalsContact O-CE2 3.28Å; V299-F473 WeakPolarHBondContact O-CE2 3.04Å; R471-F473 PolarHBondContact O-N 3.46Å; F473-Y475 HydrophobicContact CD1-CD2 4.06Å; F473-Y475 HydrophobicContact CD1-CE1 4.31Å; F473-Y475 AromaticContact CD1-CE2 3.75Å; F473-Y475 HydrophobicContact CD1-CE2 3.75Å; F473-Y475 HydrophobicContact CD1-CG 4.46Å; F473-Y475 AromaticContact CD1-CZ 3.9Å; F473-Y475 AromaticContact CE1-CD1 3.97Å; F473-Y475 HydrophobicContact CE1-CD1 3.97Å; F473-Y475 HydrophobicContact CE1-CD2 4.27Å; F473-Y475 AromaticContact CE1-CE1 3.68Å; F473-Y475 HydrophobicContact CE1-CE1 3.68Å; F473-Y475 AromaticContact CE1-CE2 3.98Å; F473-Y475 HydrophobicContact CE1-CE2 3.98Å; F473-Y475 HydrophobicContact CE1-CG 4.27Å; F473-Y475 AromaticContact CE1-CZ 3.68Å; F473-Y475 PolarHBondContact O-N 2.87Å
474	L	40.3	Very low	57.2	Low	102 Å²	102	64.9 Å²	64.9	53%	0.534	35%	0.347	S	S	.	.			trans	-89.2	96.6	-173.5	-72.4	165.5	0	0	0	111	D105 D472	D105-L474 HydrophobicContact CB-CD1 4.2Å; D105-L474 WeakPolarHBondContact O-CD1 3.44Å; D472-L474 VanDerWaalsContact C-N 3.34Å; D472-L474 HydrophobicContact CB-CD1 4.16Å; D472-L474 HydrophobicContact CB-CG 4.03Å; D472-L474 PolarHBondContact O-N 2.72Å
475	Y	49.8	Very low	56.4	Low	20 Å²	20	68.7 Å²	68.7	8%	0.078	37%	0.368	C	S	.	.			trans	-52.4	162.4	158.6	-65.2	-81.1	0	0	0	111.7	M279 N280 A283 I297 V299 F473 A477	M279-Y475 VanDerWaalsContact C-CE1 3.41Å; M279-Y475 HydrophobicContact CB-CE1 3.74Å; M279-Y475 WeakPolarHBondContact O-CE1 3.13Å; N280-Y475 VanDerWaalsContact CA-CD1 3.44Å; N280-Y475 HydrophobicContact CB-CD1 3.79Å; N280-Y475 HydrophobicContact CB-CG 3.98Å; N280-Y475 VanDerWaalsContact CG-CB 3.47Å; N280-Y475 VanDerWaalsContact OD1-CB 3.27Å; N280-Y475 WeakPolarHBondContact OD1-CB 3.48Å; A283-Y475 HydrophobicContact CB-CD2 4.03Å; A283-Y475 HydrophobicContact CB-CE1 4.47Å; A283-Y475 HydrophobicContact CB-CE2 3.33Å; I297-Y475 PolarHBondContact O-OH 3.3Å; V299-Y475 HydrophobicContact CG2-CE1 4.17Å; F473-Y475 HydrophobicContact CD1-CD2 4.06Å; F473-Y475 HydrophobicContact CD1-CE1 4.31Å; F473-Y475 AromaticContact CD1-CE2 3.75Å; F473-Y475 HydrophobicContact CD1-CE2 3.75Å; F473-Y475 HydrophobicContact CD1-CG 4.46Å; F473-Y475 AromaticContact CD1-CZ 3.9Å; F473-Y475 AromaticContact CE1-CD1 3.97Å; F473-Y475 HydrophobicContact CE1-CD1 3.97Å; F473-Y475 HydrophobicContact CE1-CD2 4.27Å; F473-Y475 AromaticContact CE1-CE1 3.68Å; F473-Y475 HydrophobicContact CE1-CE1 3.68Å; F473-Y475 AromaticContact CE1-CE2 3.98Å; F473-Y475 HydrophobicContact CE1-CE2 3.98Å; F473-Y475 HydrophobicContact CE1-CG 4.27Å; F473-Y475 AromaticContact CE1-CZ 3.68Å; F473-Y475 PolarHBondContact O-N 2.87Å; Y475-A477 PolarHBondContact O-N 3.34Å
476	P	44.3	Very low	56.4	Low	36 Å²	36	66.1 Å²	66.1	23%	0.234	35%	0.354	C	S	.	.			trans	-51.5	109.7	175.5	-27.9	35.8	0	0	0	112.8	N280 V478	N280-P476 PolarHBondContact ND2-O 3.25Å; P476-V478 PolarHBondContact O-N 3.2Å
477	A	43.4	Very low	56.7	Low	103 Å²	103	65.1 Å²	65.1	85%	0.851	35%	0.349	S	S	*	.	S	Bend	trans	-69.3	-13.7	176.9	0	0	0	0	0	113.1	Y475	Y475-A477 PolarHBondContact O-N 3.34Å
478	V	53.7	Low	57.3	Low	74 Å²	74	62.7 Å²	62.7	45%	0.448	34%	0.338	S	S	.	.	S	Bend	trans	-78.3	124.4	166.9	178.6	0	0	0	0	107.6	P476 Q482 V483	P476-V478 PolarHBondContact O-N 3.2Å; V478-Q482 HydrophobicContact CG1-CB 3.64Å; V478-V483 HydrophobicContact CB-CG2 4.14Å; V478-V483 HydrophobicContact CG1-CG2 3.64Å
479	A	61.8	Low	58.3	Low	12 Å²	12	61.7 Å²	61.7	10%	0.099	33%	0.331	C	S	.	.			trans	-63	140.3	-176.4	0	0	0	0	0	110.1	G481 Q482 E528	A479-G481 PolarHBondContact O-N 3.28Å; A479-Q482 HydrophobicContact CB-CG 4.4Å; A479-Q482 WeakPolarHBondContact O-CA 3.49Å; A479-Q482 VanDerWaalsContact O-CB 3.3Å; A479-Q482 WeakPolarHBondContact O-CB 3.37Å; A479-Q482 PolarHBondContact O-N 3.48Å; A479-E528 CarbonylContact C-O 3.52Å; A479-E528 HydrophobicContact CB-CB 4.35Å; A479-E528 VanDerWaalsContact CB-O 3.23Å; A479-E528 WeakPolarHBondContact CB-O 3.28Å
480	P	66.8	Low	59.9	Low	6 Å²	6	58.4 Å²	58.4	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-29.7	-165.9	-28.3	36.7	0	0	0	115	I281 L395 Q482 V483 Y484 A527	I281-P480 HydrophobicContact CD1-CB 4.32Å; I281-P480 HydrophobicContact CD1-CG 4.05Å; I281-P480 HydrophobicContact CG1-CG 3.84Å; L395-P480 HydrophobicContact CD1-CB 3.81Å; P480-Q482 PolarHBondContact O-N 3.01Å; P480-V483 PolarHBondContact O-N 3.04Å; P480-V483 VanDerWaalsContact O-N 3.11Å; P480-Y484 WeakPolarHBondContact O-CD2 3.34Å; P480-Y484 PolarHBondContact O-N 2.99Å; P480-A527 HydrophobicContact CB-CB 4.2Å
481	G	69.3	Low	62.1	Low	4 Å²	4	53.7 Å²	53.7	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-70.9	-8.7	174.1	0	0	0	0	0	115.5	A479 Y484 E528 T530	A479-G481 PolarHBondContact O-N 3.28Å; G481-Y484 CarbonylContact C-O 3.53Å; G481-Y484 WeakPolarHBondContact CA-O 3.15Å; G481-E528 VanDerWaalsContact CA-O 3.31Å; G481-E528 WeakPolarHBondContact CA-O 3.32Å; G481-E528 PolarHBondContact N-O 3.06Å; G481-T530 WeakPolarHBondContact CA-OG1 3.48Å; G481-T530 WeakPolarHBondContact O-CA 3.47Å
482	Q	67.9	Low	63.8	Low	102 Å²	102	49 Å²	49	48%	0.477	27%	0.27	S	S	.	.	H	α-helix	trans	-92.9	-16.9	170.1	-58.3	175	-32.7	0	0	112.4	V478 A479 P480 G529	V478-Q482 HydrophobicContact CG1-CB 3.64Å; A479-Q482 HydrophobicContact CB-CG 4.4Å; A479-Q482 WeakPolarHBondContact O-CA 3.49Å; A479-Q482 VanDerWaalsContact O-CB 3.3Å; A479-Q482 WeakPolarHBondContact O-CB 3.37Å; A479-Q482 PolarHBondContact O-N 3.48Å; P480-Q482 PolarHBondContact O-N 3.01Å; Q482-G529 WeakPolarHBondContact CG-O 3.48Å
483	V	64.4	Low	65.8	Low	74 Å²	74	42.9 Å²	42.9	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-93.1	-44.7	173.4	-175.3	0	0	0	0	110.1	V478 P480	V478-V483 HydrophobicContact CB-CG2 4.14Å; V478-V483 HydrophobicContact CG1-CG2 3.64Å; P480-V483 PolarHBondContact O-N 3.04Å; P480-V483 VanDerWaalsContact O-N 3.11Å
484	Y	70.4	Confident	67.6	Low	26 Å²	26	42.9 Å²	42.9	10%	0.102	24%	0.236	C	C	.	.	S	Bend	trans	-117.4	107.5	-179.6	-49.5	-75.9	0	0	0	108	H273 Y274 L395 P480 G481 E488 Q489 F492	H273-Y484 VanDerWaalsContact C-OH 3.3Å; H273-Y484 PolarHBondContact O-OH 3.28Å; Y274-Y484 PolarHBondContact N-OH 2.89Å; L395-Y484 HydrophobicContact CD1-CD2 3.91Å; L395-Y484 HydrophobicContact CD1-CG 4.38Å; L395-Y484 HydrophobicContact CD2-CD2 4.22Å; L395-Y484 HydrophobicContact CD2-CE2 4.45Å; P480-Y484 WeakPolarHBondContact O-CD2 3.34Å; P480-Y484 PolarHBondContact O-N 2.99Å; G481-Y484 CarbonylContact C-O 3.53Å; G481-Y484 WeakPolarHBondContact CA-O 3.15Å; Y484-E488 HydrophobicContact CD1-CG 3.88Å; Y484-Q489 PolarHBondContact O-NE2 2.02Å; Y484-F492 AromaticContact CD1-CE2 3.53Å; Y484-F492 HydrophobicContact CD1-CE2 3.53Å; Y484-F492 AromaticContact CD1-CZ 3.48Å; Y484-F492 HydrophobicContact CD1-CZ 3.48Å; Y484-F492 VanDerWaalsContact CD1-CZ 3.48Å; Y484-F492 HydrophobicContact CE1-CE2 4.05Å; Y484-F492 AromaticContact CE1-CZ 3.68Å; Y484-F492 HydrophobicContact CE1-CZ 3.68Å; Y484-F492 AromaticContact CG-CE2 3.78Å; Y484-F492 HydrophobicContact CG-CE2 3.78Å; Y484-F492 HydrophobicContact CG-CZ 4.22Å
485	D	70.9	Confident	69.4	Low	81 Å²	81	38.5 Å²	38.5	43%	0.433	22%	0.216	S	C	.	.			trans	-68	179.1	178.2	68.8	25.1	0	0	0	112.3	D487 E488 Q489	D485-D487 PolarHBondContact O-N 3.42Å; D485-D487 WeakPolarHBondContact OD1-CA 3.41Å; D485-D487 WeakPolarHBondContact OD1-CB 3.41Å; D485-D487 PolarHBondContact OD1-N 3.1Å; D485-E488 PolarHBondContact O-N 3.3Å; D485-E488 PolarHBondContact OD1-N 3.21Å; D485-Q489 WeakPolarHBondContact O-CG 3.5Å; D485-Q489 PolarHBondContact O-N 3.21Å; D485-Q489 PolarHBondContact O-NE2 2.86Å
486	A	80.7	Confident	70.4	Confident	6 Å²	6	41.4 Å²	41.4	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-27.4	-179.8	0	0	0	0	0	113	C490 Q500 V506 L510 T530	A486-C490 PolarHBondContact O-N 2.88Å; A486-C490 PolarHBondContact O-SG 3.21Å; A486-Q500 HydrophobicContact CB-CB 3.82Å; A486-Q500 HydrophobicContact CB-CG 3.64Å; A486-V506 HydrophobicContact CB-CG2 4.23Å; A486-L510 HydrophobicContact CB-CD1 3.9Å; A486-T530 HydrophobicContact CB-CG2 3.79Å
487	D	77.9	Confident	71.9	Confident	48 Å²	48	44.4 Å²	44.4	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-73.9	-44.2	174.7	-79.8	10.6	0	0	0	110.5	D485 C490 R491 R499 Q500	D485-D487 PolarHBondContact O-N 3.42Å; D485-D487 WeakPolarHBondContact OD1-CA 3.41Å; D485-D487 WeakPolarHBondContact OD1-CB 3.41Å; D485-D487 PolarHBondContact OD1-N 3.1Å; D487-C490 CarbonylContact O-C 3.33Å; D487-C490 WeakPolarHBondContact O-CA 3.46Å; D487-C490 VanDerWaalsContact O-CB 3.31Å; D487-C490 WeakPolarHBondContact O-CB 3.28Å; D487-C490 PolarHBondContact O-N 3.38Å; D487-C490 VanDerWaalsContact O-N 3.12Å; D487-R491 WeakPolarHBondContact O-CG 3.48Å; D487-R491 PolarHBondContact O-N 2.77Å; D487-R491 IonicContact OD2-NH2 3.52Å; D487-R499 HydrophobicContact CB-CB 4.13Å; D487-R499 VanDerWaalsContact CG-CB 3.47Å; D487-R499 WeakPolarHBondContact OD1-CB 3.21Å; D487-R499 WeakPolarHBondContact OD2-CB 3.12Å; D487-Q500 VanDerWaalsContact OD1-CB 3.23Å; D487-Q500 WeakPolarHBondContact OD1-CB 3.02Å; D487-Q500 PolarHBondContact OD1-N 2.78Å
488	E	77.9	Confident	73.5	Confident	57 Å²	57	39.7 Å²	39.7	27%	0.266	22%	0.222	S	C	.	.	H	α-helix	trans	-65	-40	179.3	-165	56.7	-126.4	0	0	112	Y484 D485 C490 R491 F492	Y484-E488 HydrophobicContact CD1-CG 3.88Å; D485-E488 PolarHBondContact O-N 3.3Å; D485-E488 PolarHBondContact OD1-N 3.21Å; E488-C490 VanDerWaalsContact C-N 3.27Å; E488-C490 PolarHBondContact O-N 2.05Å; E488-R491 WeakPolarHBondContact O-CA 3.24Å; E488-R491 WeakPolarHBondContact O-CB 3.33Å; E488-R491 PolarHBondContact O-N 2.77Å; E488-R491 WeakPolarHBondContact OE2-CD 3.18Å; E488-R491 IonicContact OE2-CZ 3.94Å; E488-R491 IonicContact OE2-NE 3.72Å; E488-R491 IonicContact OE2-NH1 3.58Å; E488-R491 PolarHBondContact OE2-NH1 2.82Å; E488-F492 HydrophobicContact CG-CE1 4.38Å; E488-F492 HydrophobicContact CG-CE2 3.94Å; E488-F492 HydrophobicContact CG-CZ 3.76Å; E488-F492 WeakPolarHBondContact O-CD2 3.45Å; E488-F492 WeakPolarHBondContact O-CG 3.32Å; E488-F492 PolarHBondContact O-N 3.26Å
489	Q	80.3	Confident	74.9	Confident	5 Å²	5	40.2 Å²	40.2	2%	0.023	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-38.6	171.2	-69.9	170.2	58	0	0	112.2	L395 Y484 D485 F492 Q493 L510 T530	L395-Q489 HydrophobicContact CD1-CG 3.84Å; L395-Q489 HydrophobicContact CG-CG 4.3Å; Y484-Q489 PolarHBondContact O-NE2 2.02Å; D485-Q489 WeakPolarHBondContact O-CG 3.5Å; D485-Q489 PolarHBondContact O-N 3.21Å; D485-Q489 PolarHBondContact O-NE2 2.86Å; Q489-F492 PolarHBondContact O-N 2.56Å; Q489-Q493 PolarHBondContact O-N 3.28Å; Q489-L510 HydrophobicContact CB-CD2 3.43Å; Q489-L510 VanDerWaalsContact CB-CD2 3.43Å; Q489-T530 PolarHBondContact NE2-OG1 3.3Å
490	C	82.7	Confident	75.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-37	172	-69.6	0	0	0	0	112.9	A486 D487 E488 F492 Q493 Y494 S498 C512	A486-C490 PolarHBondContact O-N 2.88Å; A486-C490 PolarHBondContact O-SG 3.21Å; D487-C490 CarbonylContact O-C 3.33Å; D487-C490 WeakPolarHBondContact O-CA 3.46Å; D487-C490 VanDerWaalsContact O-CB 3.31Å; D487-C490 WeakPolarHBondContact O-CB 3.28Å; D487-C490 PolarHBondContact O-N 3.38Å; D487-C490 VanDerWaalsContact O-N 3.12Å; E488-C490 VanDerWaalsContact C-N 3.27Å; E488-C490 PolarHBondContact O-N 2.05Å; C490-F492 VanDerWaalsContact C-N 3.34Å; C490-F492 PolarHBondContact O-N 3.48Å; C490-Q493 PolarHBondContact O-N 3.1Å; C490-Y494 PolarHBondContact O-N 3.22Å; C490-S498 VanDerWaalsContact O-CB 3.29Å; C490-S498 WeakPolarHBondContact O-CB 3Å; C490-S498 PolarHBondContact O-OG 2.89Å; C490-C512 WeakPolarHBondContact CA-SG 3.42Å; C490-C512 HydrophobicContact CB-CB 3.5Å; C490-C512 WeakPolarHBondContact CB-SG 3.12Å; C490-C512 WeakPolarHBondContact SG-CA 3.07Å; C490-C512 WeakPolarHBondContact SG-CB 3.48Å; C490-C512 CovalentContact SG-SG 2.02Å; C490-C512 PolarHBondContact SG-SG 3Å
491	R	83.4	Confident	76.5	Confident	69 Å²	69	42 Å²	42	26%	0.26	22%	0.222	S	C	.	.	H	α-helix	trans	-60.6	-42.5	174.5	-69.2	174.2	-163.3	117.1	12.5	111.2	Y265 D487 E488 G495 S498	Y265-R491 PolarHBondContact OH-O 3.02Å; D487-R491 WeakPolarHBondContact O-CG 3.48Å; D487-R491 PolarHBondContact O-N 2.77Å; D487-R491 IonicContact OD2-NH2 3.52Å; E488-R491 WeakPolarHBondContact O-CA 3.24Å; E488-R491 WeakPolarHBondContact O-CB 3.33Å; E488-R491 PolarHBondContact O-N 2.77Å; E488-R491 WeakPolarHBondContact OE2-CD 3.18Å; E488-R491 IonicContact OE2-CZ 3.94Å; E488-R491 IonicContact OE2-NE 3.72Å; E488-R491 IonicContact OE2-NH1 3.58Å; E488-R491 PolarHBondContact OE2-NH1 2.82Å; R491-G495 WeakPolarHBondContact CA-O 3.43Å; R491-G495 CarbonylContact O-C 2.94Å; R491-G495 VanDerWaalsContact O-C 3.29Å; R491-G495 WeakPolarHBondContact O-CA 3.11Å; R491-G495 PolarHBondContact O-N 3.08Å; R491-S498 WeakPolarHBondContact CG-O 3.45Å
492	F	78.5	Confident	76.6	Confident	17 Å²	17	48.2 Å²	48.2	8%	0.075	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-45.7	174.6	-56.2	-44.7	0	0	0	112.2	Y265 H266 Y274 R358 G394 Y484 E488 Q489 C490	Y265-F492 PolarHBondContact OH-O 3.18Å; H266-F492 AromaticContact CE1-CD1 3.62Å; H266-F492 AromaticContact ND1-CD1 3.64Å; H266-F492 AromaticContact ND1-CE1 3.84Å; Y274-F492 HydrophobicContact CD2-CD1 4.22Å; Y274-F492 HydrophobicContact CD2-CD2 4.07Å; Y274-F492 AromaticContact CD2-CE1 3.98Å; Y274-F492 HydrophobicContact CD2-CE1 3.98Å; Y274-F492 AromaticContact CD2-CE2 3.81Å; Y274-F492 HydrophobicContact CD2-CE2 3.81Å; Y274-F492 HydrophobicContact CD2-CG 4.27Å; Y274-F492 AromaticContact CD2-CZ 3.77Å; Y274-F492 HydrophobicContact CD2-CZ 3.77Å; Y274-F492 HydrophobicContact CE2-CB 4.25Å; Y274-F492 HydrophobicContact CE2-CD1 4.04Å; Y274-F492 AromaticContact CE2-CD2 3.62Å; Y274-F492 HydrophobicContact CE2-CD2 3.62Å; Y274-F492 HydrophobicContact CE2-CE1 4.26Å; Y274-F492 AromaticContact CE2-CE2 3.84Å; Y274-F492 HydrophobicContact CE2-CE2 3.84Å; Y274-F492 AromaticContact CE2-CG 3.73Å; Y274-F492 HydrophobicContact CE2-CG 3.73Å; Y274-F492 HydrophobicContact CE2-CZ 4.17Å; R358-F492 PolarHBondContact NH2-O 2.87Å; G394-F492 VanDerWaalsContact CA-CB 3.46Å; Y484-F492 AromaticContact CD1-CE2 3.53Å; Y484-F492 HydrophobicContact CD1-CE2 3.53Å; Y484-F492 AromaticContact CD1-CZ 3.48Å; Y484-F492 HydrophobicContact CD1-CZ 3.48Å; Y484-F492 VanDerWaalsContact CD1-CZ 3.48Å; Y484-F492 HydrophobicContact CE1-CE2 4.05Å; Y484-F492 AromaticContact CE1-CZ 3.68Å; Y484-F492 HydrophobicContact CE1-CZ 3.68Å; Y484-F492 AromaticContact CG-CE2 3.78Å; Y484-F492 HydrophobicContact CG-CE2 3.78Å; Y484-F492 HydrophobicContact CG-CZ 4.22Å; E488-F492 HydrophobicContact CG-CE1 4.38Å; E488-F492 HydrophobicContact CG-CE2 3.94Å; E488-F492 HydrophobicContact CG-CZ 3.76Å; E488-F492 WeakPolarHBondContact O-CD2 3.45Å; E488-F492 WeakPolarHBondContact O-CG 3.32Å; E488-F492 PolarHBondContact O-N 3.26Å; Q489-F492 PolarHBondContact O-N 2.56Å; C490-F492 VanDerWaalsContact C-N 3.34Å; C490-F492 PolarHBondContact O-N 3.48Å
493	Q	76.5	Confident	76.5	Confident	13 Å²	13	49.3 Å²	49.3	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-57.9	178.6	-76.6	177	18.1	0	0	112.7	I393 Q489 C490	I393-Q493 WeakPolarHBondContact O-CG 3.04Å; Q489-Q493 PolarHBondContact O-N 3.28Å; C490-Q493 PolarHBondContact O-N 3.1Å
494	Y	79.5	Confident	76.6	Confident	45 Å²	45	49.1 Å²	49.1	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-117.3	2.4	-162.2	-57.5	-70.8	0	0	0	116.3	C490 C512 V520 T521 N522	C490-Y494 PolarHBondContact O-N 3.22Å; Y494-C512 HydrophobicContact CD2-CB 3.42Å; Y494-C512 VanDerWaalsContact CD2-CB 3.42Å; Y494-C512 HydrophobicContact CE2-CB 3.47Å; Y494-C512 VanDerWaalsContact CE2-CB 3.47Å; Y494-V520 HydrophobicContact CD1-CG2 3.63Å; Y494-V520 HydrophobicContact CD2-CG2 3.6Å; Y494-V520 HydrophobicContact CE1-CB 3.95Å; Y494-V520 HydrophobicContact CE1-CG2 3.49Å; Y494-V520 VanDerWaalsContact CE1-CG2 3.49Å; Y494-V520 HydrophobicContact CE2-CB 4.2Å; Y494-V520 HydrophobicContact CE2-CG2 3.44Å; Y494-V520 VanDerWaalsContact CE2-CG2 3.44Å; Y494-V520 HydrophobicContact CG-CG2 3.67Å; Y494-T521 VanDerWaalsContact OH-CA 3.22Å; Y494-T521 WeakPolarHBondContact OH-CA 3.48Å; Y494-T521 PolarHBondContact OH-N 3.11Å; Y494-N522 PolarHBondContact OH-N 2.87Å; Y494-N522 PolarHBondContact OH-OD1 3.34Å
495	G	76.8	Confident	77.1	Confident	11 Å²	11	50.4 Å²	50.4	11%	0.113	27%	0.269	C	S	.	.			trans	112.4	153.8	-178.5	0	0	0	0	0	112.7	Y265 R491 T497 S498	Y265-G495 WeakPolarHBondContact OH-CA 3.46Å; Y265-G495 PolarHBondContact OH-N 3.03Å; R491-G495 WeakPolarHBondContact CA-O 3.43Å; R491-G495 CarbonylContact O-C 2.94Å; R491-G495 VanDerWaalsContact O-C 3.29Å; R491-G495 WeakPolarHBondContact O-CA 3.11Å; R491-G495 PolarHBondContact O-N 3.08Å; G495-T497 PolarHBondContact O-N 2.69Å; G495-S498 WeakPolarHBondContact O-CB 3.47Å; G495-S498 PolarHBondContact O-N 2.74Å
496	A	72.3	Confident	77.7	Confident	80 Å²	80	47.2 Å²	47.2	66%	0.661	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-16.4	-175.1	0	0	0	0	0	116.4
497	T	75.1	Confident	77.9	Confident	100 Å²	100	46.9 Å²	46.9	61%	0.613	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.3	173.9	60.2	0	0	0	0	113.9	G495	G495-T497 PolarHBondContact O-N 2.69Å
498	S	76.1	Confident	78.1	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.021	26%	0.264	C	S	.	.			trans	-79.6	159.3	176.5	-160.5	0	0	0	0	111.7	C490 R491 G495 L513	C490-S498 VanDerWaalsContact O-CB 3.29Å; C490-S498 WeakPolarHBondContact O-CB 3Å; C490-S498 PolarHBondContact O-OG 2.89Å; R491-S498 WeakPolarHBondContact CG-O 3.45Å; G495-S498 WeakPolarHBondContact O-CB 3.47Å; G495-S498 PolarHBondContact O-N 2.74Å; S498-L513 WeakPolarHBondContact CA-O 3.32Å; S498-L513 VanDerWaalsContact CB-O 3.25Å; S498-L513 WeakPolarHBondContact CB-O 3.43Å; S498-L513 PolarHBondContact OG-N 3.42Å; S498-L513 PolarHBondContact OG-O 2.77Å
499	R	83.4	Confident	78.3	Confident	85 Å²	85	50.3 Å²	50.3	32%	0.321	26%	0.258	S	S	.	.			trans	-163.5	165.4	179.7	60.1	176.1	-177.3	168.4	0.6	110.6	Q197 D487 C512 L513	Q197-R499 PolarHBondContact O-NH1 3.44Å; D487-R499 HydrophobicContact CB-CB 4.13Å; D487-R499 VanDerWaalsContact CG-CB 3.47Å; D487-R499 WeakPolarHBondContact OD1-CB 3.21Å; D487-R499 WeakPolarHBondContact OD2-CB 3.12Å; R499-C512 CarbonylContact O-C 3.58Å; R499-C512 WeakPolarHBondContact O-CA 3.38Å; R499-L513 HydrophobicContact CG-CB 4.33Å; R499-L513 HydrophobicContact CG-CD1 3.65Å; R499-L513 HydrophobicContact CG-CG 3.78Å; R499-L513 VanDerWaalsContact NE-CD1 3.35Å; R499-L513 PolarHBondContact O-N 3.47Å
500	Q	82.5	Confident	78.4	Confident	51 Å²	51	50.1 Å²	50.1	24%	0.238	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-62.2	140.2	-177.5	-163.6	-157.6	-3.6	0	0	112.7	A486 D487 V506 L510	A486-Q500 HydrophobicContact CB-CB 3.82Å; A486-Q500 HydrophobicContact CB-CG 3.64Å; D487-Q500 VanDerWaalsContact OD1-CB 3.23Å; D487-Q500 WeakPolarHBondContact OD1-CB 3.02Å; D487-Q500 PolarHBondContact OD1-N 2.78Å; Q500-V506 VanDerWaalsContact NE2-CG2 3.26Å; Q500-L510 HydrophobicContact CG-CD1 4.23Å
501	C	80.8	Confident	78.5	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.027	26%	0.26	C	S	.	.			trans	-94.4	132.7	163.5	-161.6	0	0	0	0	110.9	Y503 W511 C519	C501-Y503 PolarHBondContact O-N 2.95Å; C501-Y503 VanDerWaalsContact O-N 3.15Å; C501-W511 HydrophobicContact CB-CB 3.61Å; C501-W511 WeakPolarHBondContact CB-O 3.09Å; C501-W511 PolarHBondContact N-O 2.96Å; C501-C519 HydrophobicContact CB-CB 3.46Å; C501-C519 VanDerWaalsContact CB-CB 3.46Å; C501-C519 WeakPolarHBondContact CB-SG 3.31Å; C501-C519 WeakPolarHBondContact SG-CB 3.42Å; C501-C519 CovalentContact SG-SG 2.01Å; C501-C519 PolarHBondContact SG-SG 2.92Å
502	K	70.5	Confident	78.7	Confident	136 Å²	136	47.5 Å²	47.5	59%	0.591	25%	0.247	S	C	*	.			trans	-84.4	85	167.4	-62.9	-157.8	-172.2	168.8	0	109.9	Q198	Q198-K502 VanDerWaalsContact OE1-CE 3.31Å
503	Y	66.1	Low	79	Confident	124 Å²	124	47.1 Å²	47.1	49%	0.486	25%	0.246	S	C	.	.	S	Bend	trans	-148.9	137.2	173.6	-173.7	-89.6	0	0	0	108.7	L201 Y202 C501 W511	L201-Y503 HydrophobicContact CD2-CD2 4.45Å; Y202-Y503 HydrophobicContact CE1-CD1 4.19Å; Y202-Y503 AromaticContact CE1-CE1 4Å; Y202-Y503 HydrophobicContact CE1-CE1 4Å; Y202-Y503 HydrophobicContact CE2-CE2 4.32Å; Y202-Y503 AromaticContact CZ-CD1 3.98Å; Y202-Y503 AromaticContact CZ-CD2 3.98Å; Y202-Y503 AromaticContact CZ-CE1 3.88Å; Y202-Y503 AromaticContact CZ-CE2 3.86Å; Y202-Y503 AromaticContact CZ-CZ 3.8Å; Y202-Y503 WeakPolarHBondContact OH-CB 3.47Å; Y202-Y503 WeakPolarHBondContact OH-CD1 3.48Å; Y202-Y503 WeakPolarHBondContact OH-CD2 3.49Å; Y202-Y503 WeakPolarHBondContact OH-CE1 3.32Å; Y202-Y503 WeakPolarHBondContact OH-CE2 3.34Å; C501-Y503 PolarHBondContact O-N 2.95Å; C501-Y503 VanDerWaalsContact O-N 3.15Å; Y503-W511 HydrophobicContact CD1-CD2 4.48Å
504	G	67.4	Low	79	Confident	70 Å²	70	47.5 Å²	47.5	72%	0.722	25%	0.25	S	C	*	.	S	Bend	trans	63.1	-162.7	-170	0	0	0	0	0	113.2
505	E	79.6	Confident	78.7	Confident	53 Å²	53	53.9 Å²	53.9	25%	0.248	28%	0.278	C	S	.	.			trans	-100	117.1	173.2	178.8	175.2	-168.4	0	0	109.2	C507 R508 E509 C547	E505-C507 HydrophobicContact CG-CB 4.35Å; E505-C507 PolarHBondContact O-N 3.45Å; E505-R508 HydrophobicContact CB-CG 4.47Å; E505-R508 HydrophobicContact CG-CG 4.44Å; E505-R508 PolarHBondContact O-N 2.94Å; E505-R508 WeakPolarHBondContact OE2-CD 3.46Å; E505-R508 IonicContact OE2-NE 2.68Å; E505-R508 PolarHBondContact OE2-NE 2.93Å; E505-E509 PolarHBondContact O-N 2.86Å; E505-C547 HydrophobicContact CG-CB 4.4Å; E505-C547 WeakPolarHBondContact OE1-CB 2.99Å; E505-C547 PolarHBondContact OE1-N 2.85Å
506	V	84.5	Confident	78.7	Confident	14 Å²	14	57.1 Å²	57.1	9%	0.085	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.6	-175	59.2	0	0	0	0	114	A486 Q500 R508 L510 A526 T530 C532	A486-V506 HydrophobicContact CB-CG2 4.23Å; Q500-V506 VanDerWaalsContact NE2-CG2 3.26Å; V506-R508 VanDerWaalsContact C-N 3.32Å; V506-R508 PolarHBondContact O-N 2.97Å; V506-L510 HydrophobicContact CG2-CD1 4.06Å; V506-A526 HydrophobicContact CG2-CB 3.71Å; V506-A526 WeakPolarHBondContact O-CB 3.36Å; V506-A526 PolarHBondContact O-N 3.01Å; V506-T530 HydrophobicContact CG2-CG2 4.24Å; V506-C532 HydrophobicContact CG1-CB 3.59Å
507	C	83.7	Confident	78.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.6	-179.5	-53	0	0	0	0	113	E505 P525 C532 C542 G545 C547	E505-C507 HydrophobicContact CG-CB 4.35Å; E505-C507 PolarHBondContact O-N 3.45Å; C507-P525 WeakPolarHBondContact O-CB 3.32Å; C507-C532 WeakPolarHBondContact SG-CB 3.16Å; C507-C532 VanDerWaalsContact SG-SG 3.61Å; C507-C542 WeakPolarHBondContact CA-SG 3.47Å; C507-C542 HydrophobicContact CB-CB 3.58Å; C507-C542 WeakPolarHBondContact CB-SG 3.25Å; C507-C542 WeakPolarHBondContact SG-CA 3.47Å; C507-C542 WeakPolarHBondContact SG-CB 3.29Å; C507-C542 CovalentContact SG-SG 2.04Å; C507-C542 PolarHBondContact SG-SG 3.31Å; C507-G545 CarbonylContact C-O 3.42Å; C507-G545 WeakPolarHBondContact CB-O 3.4Å; C507-G545 CarbonylContact O-C 3.5Å; C507-G545 WeakPolarHBondContact O-CA 3.47Å; C507-G545 VanDerWaalsContact O-O 3.1Å; C507-C547 VanDerWaalsContact SG-CA 3.58Å
508	R	81.9	Confident	79.1	Confident	149 Å²	149	59.8 Å²	59.8	56%	0.562	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-38.4	179.6	-66.8	-175.9	167.1	-151.8	-4.1	111.5	E505 V506 G545 D546	E505-R508 HydrophobicContact CB-CG 4.47Å; E505-R508 HydrophobicContact CG-CG 4.44Å; E505-R508 PolarHBondContact O-N 2.94Å; E505-R508 WeakPolarHBondContact OE2-CD 3.46Å; E505-R508 IonicContact OE2-NE 2.68Å; E505-R508 PolarHBondContact OE2-NE 2.93Å; V506-R508 VanDerWaalsContact C-N 3.32Å; V506-R508 PolarHBondContact O-N 2.97Å; R508-G545 WeakPolarHBondContact CG-O 3.33Å; R508-G545 PolarHBondContact N-O 3.13Å; R508-G545 VanDerWaalsContact N-O 3.17Å; R508-D546 IonicContact CZ-OD1 3.65Å; R508-D546 IonicContact NE-OD1 2.67Å; R508-D546 PolarHBondContact NE-OD1 2.95Å; R508-D546 IonicContact NH2-OD1 3.25Å; R508-D546 PolarHBondContact NH2-OD1 3.15Å; R508-D546 IonicContact NH2-OD2 3.19Å
509	E	81.9	Confident	79.4	Confident	28 Å²	28	59.6 Å²	59.6	13%	0.131	29%	0.289	C	S	.	.			trans	-151.6	119.2	-177.4	-167.4	165.5	-134	0	0	111.1	A437 E505 W511 T521 S523	A437-E509 WeakPolarHBondContact CB-OE1 3.1Å; E505-E509 PolarHBondContact O-N 2.86Å; E509-W511 HydrophobicContact CG-CZ2 4.39Å; E509-W511 PolarHBondContact O-N 2.79Å; E509-W511 VanDerWaalsContact OE2-CE2 3.23Å; E509-W511 WeakPolarHBondContact OE2-CZ2 3.47Å; E509-W511 PolarHBondContact OE2-NE1 2.86Å; E509-T521 HydrophobicContact CG-CG2 3.9Å; E509-T521 WeakPolarHBondContact CG-OG1 3.19Å; E509-T521 WeakPolarHBondContact OE1-CG2 3.27Å; E509-S523 WeakPolarHBondContact OE1-CA 3.32Å; E509-S523 VanDerWaalsContact OE1-CB 3.31Å; E509-S523 WeakPolarHBondContact OE1-CB 3.4Å; E509-S523 PolarHBondContact OE1-OG 2.89Å
510	L	83.4	Confident	79.3	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.28	C	S	.	.			trans	-82.7	105	176.4	-177.1	66.6	0	0	0	109.9	A486 Q489 Q500 V506 T521 I524 A526	A486-L510 HydrophobicContact CB-CD1 3.9Å; Q489-L510 HydrophobicContact CB-CD2 3.43Å; Q489-L510 VanDerWaalsContact CB-CD2 3.43Å; Q500-L510 HydrophobicContact CG-CD1 4.23Å; V506-L510 HydrophobicContact CG2-CD1 4.06Å; L510-T521 WeakPolarHBondContact O-CB 3.48Å; L510-T521 PolarHBondContact O-OG1 2.84Å; L510-I524 WeakPolarHBondContact CB-O 3.28Å; L510-I524 PolarHBondContact N-O 3.31Å; L510-A526 HydrophobicContact CB-CB 4.26Å; L510-A526 HydrophobicContact CD1-CB 4.15Å
511	W	85.6	Confident	79.2	Confident	14 Å²	14	54.2 Å²	54.2	5%	0.053	27%	0.269	C	S	.	.			trans	-92.1	136.9	173.4	-69.1	93.5	0	0	0	110.9	Y202 H204 C501 Y503 E509 C519 V520 T521	Y202-W511 AromaticContact CD1-CE3 3.87Å; Y202-W511 HydrophobicContact CD1-CE3 3.87Å; Y202-W511 AromaticContact CD1-CH2 3.59Å; Y202-W511 HydrophobicContact CD1-CH2 3.59Å; Y202-W511 AromaticContact CD1-CZ3 3.22Å; Y202-W511 HydrophobicContact CD1-CZ3 3.22Å; Y202-W511 HydrophobicContact CE1-CD2 4.02Å; Y202-W511 AromaticContact CE1-CE3 3.49Å; Y202-W511 HydrophobicContact CE1-CE3 3.49Å; Y202-W511 VanDerWaalsContact CE1-CE3 3.49Å; Y202-W511 AromaticContact CE1-CH2 3.51Å; Y202-W511 HydrophobicContact CE1-CH2 3.51Å; Y202-W511 HydrophobicContact CE1-CZ2 4.03Å; Y202-W511 AromaticContact CE1-CZ3 3.24Å; Y202-W511 HydrophobicContact CE1-CZ3 3.24Å; H204-W511 AromaticContact NE2-CH2 3.59Å; C501-W511 HydrophobicContact CB-CB 3.61Å; C501-W511 WeakPolarHBondContact CB-O 3.09Å; C501-W511 PolarHBondContact N-O 2.96Å; Y503-W511 HydrophobicContact CD1-CD2 4.48Å; E509-W511 HydrophobicContact CG-CZ2 4.39Å; E509-W511 PolarHBondContact O-N 2.79Å; E509-W511 VanDerWaalsContact OE2-CE2 3.23Å; E509-W511 WeakPolarHBondContact OE2-CZ2 3.47Å; E509-W511 PolarHBondContact OE2-NE1 2.86Å; W511-C519 VanDerWaalsContact CE3-O 3.23Å; W511-C519 WeakPolarHBondContact CZ3-O 3.41Å; W511-V520 CarbonylContact C-O 3.03Å; W511-V520 WeakPolarHBondContact CA-O 3.3Å; W511-T521 HydrophobicContact CD2-CG2 3.83Å; W511-T521 HydrophobicContact CE3-CG2 3.54Å; W511-T521 HydrophobicContact CH2-CG2 3.33Å; W511-T521 HydrophobicContact CZ2-CG2 3.62Å; W511-T521 HydrophobicContact CZ3-CG2 3.25Å
512	C	85.9	Confident	78.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.9	-162.9	-66.6	0	0	0	0	114	C490 Y494 R499 S514 C519 V520	C490-C512 WeakPolarHBondContact CA-SG 3.42Å; C490-C512 HydrophobicContact CB-CB 3.5Å; C490-C512 WeakPolarHBondContact CB-SG 3.12Å; C490-C512 WeakPolarHBondContact SG-CA 3.07Å; C490-C512 WeakPolarHBondContact SG-CB 3.48Å; C490-C512 CovalentContact SG-SG 2.02Å; C490-C512 PolarHBondContact SG-SG 3Å; Y494-C512 HydrophobicContact CD2-CB 3.42Å; Y494-C512 VanDerWaalsContact CD2-CB 3.42Å; Y494-C512 HydrophobicContact CE2-CB 3.47Å; Y494-C512 VanDerWaalsContact CE2-CB 3.47Å; R499-C512 CarbonylContact O-C 3.58Å; R499-C512 WeakPolarHBondContact O-CA 3.38Å; C512-S514 PolarHBondContact O-N 3.12Å; C512-C519 CarbonylContact O-C 3.5Å; C512-C519 WeakPolarHBondContact O-CA 3.48Å; C512-V520 PolarHBondContact N-O 2.9Å; C512-V520 WeakPolarHBondContact O-CG2 3.33Å; C512-V520 PolarHBondContact O-N 3.1Å
513	L	85.9	Confident	79	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.047	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	117.1	-179.2	-58.2	-162.8	0	0	0	113.5	R199 H200 S498 R499 C519	R199-L513 WeakPolarHBondContact O-CD1 3.33Å; H200-L513 WeakPolarHBondContact O-CD2 3.45Å; S498-L513 WeakPolarHBondContact CA-O 3.32Å; S498-L513 VanDerWaalsContact CB-O 3.25Å; S498-L513 WeakPolarHBondContact CB-O 3.43Å; S498-L513 PolarHBondContact OG-N 3.42Å; S498-L513 PolarHBondContact OG-O 2.77Å; R499-L513 HydrophobicContact CG-CB 4.33Å; R499-L513 HydrophobicContact CG-CD1 3.65Å; R499-L513 HydrophobicContact CG-CG 3.78Å; R499-L513 VanDerWaalsContact NE-CD1 3.35Å; R499-L513 PolarHBondContact O-N 3.47Å; L513-C519 HydrophobicContact CD2-CB 4.36Å; L513-C519 WeakPolarHBondContact CD2-SG 3.42Å
514	S	76.3	Confident	79.5	Confident	20 Å²	20	43.6 Å²	43.6	14%	0.14	23%	0.228	C	C	.	.			trans	-70.8	165.9	164.6	69.8	0	0	0	0	111.6	C512 S516 N517 R518	C512-S514 PolarHBondContact O-N 3.12Å; S514-S516 PolarHBondContact O-N 3.05Å; S514-S516 PolarHBondContact OG-N 3.06Å; S514-S516 PolarHBondContact OG-OG 3.01Å; S514-N517 PolarHBondContact O-N 3.22Å; S514-R518 WeakPolarHBondContact CB-O 3.49Å; S514-R518 PolarHBondContact N-O 3.44Å; S514-R518 PolarHBondContact OG-N 2.82Å; S514-R518 PolarHBondContact OG-O 2.62Å
515	K	72.8	Confident	80.2	Confident	180 Å²	180	40.7 Å²	40.7	78%	0.783	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-9.2	174.3	-60.1	173.8	-176.4	172.6	0	115.1
516	S	76.8	Confident	80.5	Confident	79 Å²	79	38.2 Å²	38.2	55%	0.552	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	11.2	175.3	65.1	0	0	0	0	114.1	S514 R518	S514-S516 PolarHBondContact O-N 3.05Å; S514-S516 PolarHBondContact OG-N 3.06Å; S514-S516 PolarHBondContact OG-OG 3.01Å; S516-R518 VanDerWaalsContact C-N 3.28Å; S516-R518 PolarHBondContact O-N 2.91Å; S516-R518 WeakPolarHBondContact OG-CG 3.28Å
517	N	75.9	Confident	80.3	Confident	122 Å²	122	38 Å²	38	65%	0.652	18%	0.184	S	C	*	.	S	Bend	trans	53.6	45.8	-167.3	-70.6	-17.1	0	0	0	112.1	H200 L201 S514	H200-N517 CarbonylContact C-O 3.52Å; H200-N517 CarbonylContact O-C 3.49Å; L201-N517 PolarHBondContact N-O 3.46Å; S514-N517 PolarHBondContact O-N 3.22Å
518	R	79.9	Confident	80.1	Confident	113 Å²	113	39 Å²	39	43%	0.426	19%	0.189	S	C	.	.			trans	-124.1	116.7	174.3	-63.1	-172.9	69.3	-160.9	-9.1	109.5	L201 Y202 D203 S514 S516 V520	L201-R518 VanDerWaalsContact C-C 3.48Å; L201-R518 WeakPolarHBondContact O-CA 3.34Å; L201-R518 WeakPolarHBondContact O-CB 3.5Å; L201-R518 VanDerWaalsContact O-CG 3.3Å; L201-R518 WeakPolarHBondContact O-CG 3.39Å; L201-R518 PolarHBondContact O-NE 2.69Å; Y202-R518 CarbonylContact O-C 3.56Å; Y202-R518 VanDerWaalsContact O-CB 3.22Å; Y202-R518 WeakPolarHBondContact O-CB 3.29Å; D203-R518 IonicContact OD1-NH2 2.87Å; D203-R518 IonicContact OD2-CZ 3.7Å; D203-R518 VanDerWaalsContact OD2-CZ 3.25Å; D203-R518 IonicContact OD2-NH1 2.78Å; D203-R518 IonicContact OD2-NH2 3.44Å; D203-R518 PolarHBondContact OD2-NH2 3.09Å; S514-R518 WeakPolarHBondContact CB-O 3.49Å; S514-R518 PolarHBondContact N-O 3.44Å; S514-R518 PolarHBondContact OG-N 2.82Å; S514-R518 PolarHBondContact OG-O 2.62Å; S516-R518 VanDerWaalsContact C-N 3.28Å; S516-R518 PolarHBondContact O-N 2.91Å; S516-R518 WeakPolarHBondContact OG-CG 3.28Å; R518-V520 PolarHBondContact O-N 3.03Å
519	C	83.3	Confident	79.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	91.2	174.2	-55.5	0	0	0	0	113.4	H200 L201 Y202 C501 W511 C512 L513	H200-C519 VanDerWaalsContact CA-SG 3.55Å; L201-C519 WeakPolarHBondContact CA-SG 3.35Å; L201-C519 PolarHBondContact N-SG 2.86Å; Y202-C519 CarbonylContact C-O 3.6Å; Y202-C519 WeakPolarHBondContact CA-O 3.45Å; Y202-C519 VanDerWaalsContact N-C 3.34Å; Y202-C519 PolarHBondContact N-O 3.21Å; Y202-C519 CarbonylContact O-C 3.52Å; Y202-C519 PolarHBondContact O-N 2.81Å; Y202-C519 VanDerWaalsContact O-O 3.08Å; C501-C519 HydrophobicContact CB-CB 3.46Å; C501-C519 VanDerWaalsContact CB-CB 3.46Å; C501-C519 WeakPolarHBondContact CB-SG 3.31Å; C501-C519 WeakPolarHBondContact SG-CB 3.42Å; C501-C519 CovalentContact SG-SG 2.01Å; C501-C519 PolarHBondContact SG-SG 2.92Å; W511-C519 VanDerWaalsContact CE3-O 3.23Å; W511-C519 WeakPolarHBondContact CZ3-O 3.41Å; C512-C519 CarbonylContact O-C 3.5Å; C512-C519 WeakPolarHBondContact O-CA 3.48Å; L513-C519 HydrophobicContact CD2-CB 4.36Å; L513-C519 WeakPolarHBondContact CD2-SG 3.42Å
520	V	81.3	Confident	79.7	Confident	23 Å²	23	30.8 Å²	30.8	14%	0.139	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	159.4	170.4	-78.7	0	0	0	0	111.2	Y202 D203 Y494 W511 C512 R518	Y202-V520 WeakPolarHBondContact O-CA 3.46Å; Y202-V520 VanDerWaalsContact O-CG1 3.25Å; Y202-V520 WeakPolarHBondContact O-CG1 3.11Å; Y202-V520 PolarHBondContact O-N 2.91Å; D203-V520 VanDerWaalsContact N-CG1 3.34Å; D203-V520 CarbonylContact O-C 3.56Å; D203-V520 WeakPolarHBondContact O-CA 3.5Å; D203-V520 WeakPolarHBondContact O-CB 3.08Å; Y494-V520 HydrophobicContact CD1-CG2 3.63Å; Y494-V520 HydrophobicContact CD2-CG2 3.6Å; Y494-V520 HydrophobicContact CE1-CB 3.95Å; Y494-V520 HydrophobicContact CE1-CG2 3.49Å; Y494-V520 VanDerWaalsContact CE1-CG2 3.49Å; Y494-V520 HydrophobicContact CE2-CB 4.2Å; Y494-V520 HydrophobicContact CE2-CG2 3.44Å; Y494-V520 VanDerWaalsContact CE2-CG2 3.44Å; Y494-V520 HydrophobicContact CG-CG2 3.67Å; W511-V520 CarbonylContact C-O 3.03Å; W511-V520 WeakPolarHBondContact CA-O 3.3Å; C512-V520 PolarHBondContact N-O 2.9Å; C512-V520 WeakPolarHBondContact O-CG2 3.33Å; C512-V520 PolarHBondContact O-N 3.1Å; R518-V520 PolarHBondContact O-N 3.03Å
521	T	79.7	Confident	79.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.			trans	-145.7	149.4	164.1	-169.9	0	0	0	0	109.8	D203 H204 Y494 E509 L510 W511 S523	D203-T521 PolarHBondContact O-N 3.26Å; H204-T521 WeakPolarHBondContact CA-O 3.17Å; Y494-T521 VanDerWaalsContact OH-CA 3.22Å; Y494-T521 WeakPolarHBondContact OH-CA 3.48Å; Y494-T521 PolarHBondContact OH-N 3.11Å; E509-T521 HydrophobicContact CG-CG2 3.9Å; E509-T521 WeakPolarHBondContact CG-OG1 3.19Å; E509-T521 WeakPolarHBondContact OE1-CG2 3.27Å; L510-T521 WeakPolarHBondContact O-CB 3.48Å; L510-T521 PolarHBondContact O-OG1 2.84Å; W511-T521 HydrophobicContact CD2-CG2 3.83Å; W511-T521 HydrophobicContact CE3-CG2 3.54Å; W511-T521 HydrophobicContact CH2-CG2 3.33Å; W511-T521 HydrophobicContact CZ2-CG2 3.62Å; W511-T521 HydrophobicContact CZ3-CG2 3.25Å; T521-S523 PolarHBondContact OG1-N 2.81Å; T521-S523 VanDerWaalsContact OG1-N 3.13Å
522	N	71.8	Confident	79.4	Confident	23 Å²	23	34.4 Å²	34.4	12%	0.123	18%	0.179	C	C	.	.			trans	-91.2	15.1	168.4	-68.5	-8.6	0	0	0	111.5	S205 Y494 I524	S205-N522 WeakPolarHBondContact OG-CA 3.33Å; S205-N522 WeakPolarHBondContact OG-CB 3.05Å; S205-N522 VanDerWaalsContact OG-CG 3.25Å; S205-N522 PolarHBondContact OG-OD1 3.02Å; Y494-N522 PolarHBondContact OH-N 2.87Å; Y494-N522 PolarHBondContact OH-OD1 3.34Å; N522-I524 VanDerWaalsContact C-N 3.26Å; N522-I524 HydrophobicContact CB-CD1 3.89Å; N522-I524 HydrophobicContact CB-CG1 3.92Å; N522-I524 WeakPolarHBondContact O-CG1 3.43Å; N522-I524 PolarHBondContact O-N 2.03Å
523	S	74.6	Confident	79.1	Confident	15 Å²	15	40.8 Å²	40.8	11%	0.105	21%	0.208	C	C	.	.	S	Bend	trans	54.3	39.6	-169.3	-69.7	0	0	0	0	113.6	I435 A437 E509 T521	I435-S523 VanDerWaalsContact CG2-O 3.25Å; I435-S523 WeakPolarHBondContact CG2-O 3.05Å; A437-S523 PolarHBondContact N-OG 2.86Å; E509-S523 WeakPolarHBondContact OE1-CA 3.32Å; E509-S523 VanDerWaalsContact OE1-CB 3.31Å; E509-S523 WeakPolarHBondContact OE1-CB 3.4Å; E509-S523 PolarHBondContact OE1-OG 2.89Å; T521-S523 PolarHBondContact OG1-N 2.81Å; T521-S523 VanDerWaalsContact OG1-N 3.13Å
524	I	76.4	Confident	78.8	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.015	22%	0.22	C	C	.	.			trans	-105	130.8	179.4	-58.4	-175.1	0	0	0	108.4	I393 F399 I435 L510 N522	I393-I524 HydrophobicContact CD1-CD1 3.63Å; I393-I524 HydrophobicContact CG1-CD1 4.22Å; F399-I524 HydrophobicContact CD2-CG2 3.92Å; F399-I524 HydrophobicContact CE2-CG2 3.72Å; I435-I524 HydrophobicContact CG2-CG1 4.24Å; L510-I524 WeakPolarHBondContact CB-O 3.28Å; L510-I524 PolarHBondContact N-O 3.31Å; N522-I524 VanDerWaalsContact C-N 3.26Å; N522-I524 HydrophobicContact CB-CD1 3.89Å; N522-I524 HydrophobicContact CB-CG1 3.92Å; N522-I524 WeakPolarHBondContact O-CG1 3.43Å; N522-I524 PolarHBondContact O-N 2.03Å
525	P	83.4	Confident	78.7	Confident	9 Å²	9	45.7 Å²	45.7	6%	0.058	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63.8	148.2	174.6	26.9	-35	0	0	0	111.2	F399 P441 F442 C507	F399-P525 HydrophobicContact CE2-CG 4.09Å; F399-P525 HydrophobicContact CZ-CG 4.04Å; P441-P525 HydrophobicContact CG-CG 3.85Å; F442-P525 HydrophobicContact CE2-CB 3.87Å; F442-P525 HydrophobicContact CE2-CG 3.52Å; F442-P525 HydrophobicContact CZ-CB 4.1Å; F442-P525 HydrophobicContact CZ-CG 3.68Å; C507-P525 WeakPolarHBondContact O-CB 3.32Å
526	A	84.7	Confident	78.9	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.9	144.5	170.8	0	0	0	0	0	111	V506 L510 T530	V506-A526 HydrophobicContact CG2-CB 3.71Å; V506-A526 WeakPolarHBondContact O-CB 3.36Å; V506-A526 PolarHBondContact O-N 3.01Å; L510-A526 HydrophobicContact CB-CB 4.26Å; L510-A526 HydrophobicContact CD1-CB 4.15Å; A526-T530 HydrophobicContact CB-CG2 3.94Å
527	A	82.1	Confident	78.7	Confident	8 Å²	8	42.5 Å²	42.5	7%	0.066	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-59.4	151.5	-175.6	0	0	0	0	0	112.3	L395 P480 G529 T530	L395-A527 HydrophobicContact CB-CB 4.44Å; L395-A527 HydrophobicContact CD1-CB 3.65Å; P480-A527 HydrophobicContact CB-CB 4.2Å; A527-G529 PolarHBondContact O-N 3.33Å; A527-T530 PolarHBondContact N-OG1 3.16Å; A527-T530 VanDerWaalsContact O-CB 3.26Å; A527-T530 WeakPolarHBondContact O-CB 3.17Å; A527-T530 PolarHBondContact O-N 3.07Å; A527-T530 PolarHBondContact O-OG1 3.38Å
528	E	77.8	Confident	78.3	Confident	23 Å²	23	44.8 Å²	44.8	11%	0.107	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	137.7	-177.5	-66	-173.8	132.9	0	0	111.9	K284 F442 A479 G481 T530 C542	K284-E528 VanDerWaalsContact CD-OE2 3.27Å; K284-E528 WeakPolarHBondContact CD-OE2 3.43Å; K284-E528 WeakPolarHBondContact CE-OE2 3.41Å; K284-E528 IonicContact NZ-OE1 2.62Å; K284-E528 PolarHBondContact NZ-OE1 2.82Å; K284-E528 IonicContact NZ-OE2 2.73Å; K284-E528 PolarHBondContact NZ-OE2 3.4Å; F442-E528 HydrophobicContact CE1-CG 4.21Å; A479-E528 CarbonylContact C-O 3.52Å; A479-E528 HydrophobicContact CB-CB 4.35Å; A479-E528 VanDerWaalsContact CB-O 3.23Å; A479-E528 WeakPolarHBondContact CB-O 3.28Å; G481-E528 VanDerWaalsContact CA-O 3.31Å; G481-E528 WeakPolarHBondContact CA-O 3.32Å; G481-E528 PolarHBondContact N-O 3.06Å; E528-T530 VanDerWaalsContact C-N 3.3Å; E528-C542 CarbonylContact C-O 3.55Å; E528-C542 WeakPolarHBondContact CA-O 3.22Å
529	G	75.3	Confident	77.8	Confident	3 Å²	3	46 Å²	46	3%	0.031	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	2.2	-173.9	0	0	0	0	0	116.4	Q482 A527 L531 C542	Q482-G529 WeakPolarHBondContact CG-O 3.48Å; A527-G529 PolarHBondContact O-N 3.33Å; G529-L531 PolarHBondContact O-N 2.92Å; G529-C542 PolarHBondContact N-O 3.16Å
530	T	80.2	Confident	77.3	Confident	1 Å²	1	46 Å²	46	1%	0.006	26%	0.256	C	S	.	.			trans	-56.7	137.4	165.6	-56.5	0	0	0	0	109.7	G481 A486 Q489 V506 A526 A527 E528 W541 C542	G481-T530 WeakPolarHBondContact CA-OG1 3.48Å; G481-T530 WeakPolarHBondContact O-CA 3.47Å; A486-T530 HydrophobicContact CB-CG2 3.79Å; Q489-T530 PolarHBondContact NE2-OG1 3.3Å; V506-T530 HydrophobicContact CG2-CG2 4.24Å; A526-T530 HydrophobicContact CB-CG2 3.94Å; A527-T530 PolarHBondContact N-OG1 3.16Å; A527-T530 VanDerWaalsContact O-CB 3.26Å; A527-T530 WeakPolarHBondContact O-CB 3.17Å; A527-T530 PolarHBondContact O-N 3.07Å; A527-T530 PolarHBondContact O-OG1 3.38Å; E528-T530 VanDerWaalsContact C-N 3.3Å; T530-W541 CarbonylContact O-C 3.55Å; T530-W541 VanDerWaalsContact O-CA 3.3Å; T530-W541 WeakPolarHBondContact O-CA 3.44Å; T530-C542 PolarHBondContact O-N 3.06Å; T530-C542 PolarHBondContact O-SG 2.87Å; T530-C542 VanDerWaalsContact O-SG 3.37Å
531	L	79.9	Confident	77.2	Confident	78 Å²	78	45.2 Å²	45.2	41%	0.408	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.6	179.6	-63.8	165.5	0	0	0	111.3	K193 G529 F550	K193-L531 VanDerWaalsContact CE-CD1 3.42Å; K193-L531 VanDerWaalsContact NZ-CD1 3.29Å; G529-L531 PolarHBondContact O-N 2.92Å; L531-F550 HydrophobicContact CD2-CE1 4.22Å; L531-F550 HydrophobicContact CD2-CZ 3.73Å
532	C	82.8	Confident	77.3	Confident	12 Å²	12	45.3 Å²	45.3	8%	0.081	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162	-178.8	70	0	0	0	0	112.5	V506 C507 G540 W541 C547	V506-C532 HydrophobicContact CG1-CB 3.59Å; C507-C532 WeakPolarHBondContact SG-CB 3.16Å; C507-C532 VanDerWaalsContact SG-SG 3.61Å; C532-G540 PolarHBondContact N-O 3.14Å; C532-G540 CarbonylContact O-C 3Å; C532-G540 WeakPolarHBondContact O-CA 3.46Å; C532-G540 PolarHBondContact O-N 2.92Å; C532-W541 PolarHBondContact SG-N 2.86Å; C532-C547 VanDerWaalsContact C-SG 3.59Å; C532-C547 HydrophobicContact CB-CB 3.78Å; C532-C547 WeakPolarHBondContact CB-SG 3.33Å; C532-C547 WeakPolarHBondContact SG-CA 3.24Å; C532-C547 WeakPolarHBondContact SG-CB 3.22Å; C532-C547 CovalentContact SG-SG 2.03Å; C532-C547 PolarHBondContact SG-SG 2.88Å
533	Q	80	Confident	77.7	Confident	134 Å²	134	45.1 Å²	45.1	63%	0.626	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148.7	137.2	-179.8	-172.2	-180	14.1	0	0	108.6	I537	Q533-I537 WeakPolarHBondContact CA-O 3.21Å; Q533-I537 WeakPolarHBondContact CG-O 3.4Å
534	T	78.9	Confident	77.7	Confident	47 Å²	47	47.5 Å²	47.5	29%	0.288	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	174.1	173.5	75.5	0	0	0	0	109.9	N536 I537 C547	T534-N536 PolarHBondContact O-N 3.2Å; T534-N536 PolarHBondContact OG1-N 2.97Å; T534-I537 PolarHBondContact N-O 3.38Å; T534-I537 CarbonylContact O-C 3.44Å; T534-I537 PolarHBondContact O-N 3.04Å; T534-I537 VanDerWaalsContact O-N 3.17Å; T534-I537 WeakPolarHBondContact OG1-CB 3.37Å; T534-I537 WeakPolarHBondContact OG1-CG1 3.49Å; T534-I537 PolarHBondContact OG1-N 3.43Å; T534-C547 HydrophobicContact CG2-CB 3.7Å
535	G	74.9	Confident	77.8	Confident	86 Å²	86	47.9 Å²	47.9	89%	0.887	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.7	176.2	0	0	0	0	0	114.8
536	N	77.8	Confident	77.8	Confident	162 Å²	162	50.8 Å²	50.8	87%	0.866	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-7	179.3	-62	-7.9	0	0	0	113.1	T534	T534-N536 PolarHBondContact O-N 3.2Å; T534-N536 PolarHBondContact OG1-N 2.97Å
537	I	72.4	Confident	77.8	Confident	29 Å²	29	51.2 Å²	51.2	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	99.1	-172.3	-56	172.3	0	0	0	108.2	Q533 T534 K539 C547 P549	Q533-I537 WeakPolarHBondContact CA-O 3.21Å; Q533-I537 WeakPolarHBondContact CG-O 3.4Å; T534-I537 PolarHBondContact N-O 3.38Å; T534-I537 CarbonylContact O-C 3.44Å; T534-I537 PolarHBondContact O-N 3.04Å; T534-I537 VanDerWaalsContact O-N 3.17Å; T534-I537 WeakPolarHBondContact OG1-CB 3.37Å; T534-I537 WeakPolarHBondContact OG1-CG1 3.49Å; T534-I537 PolarHBondContact OG1-N 3.43Å; I537-K539 VanDerWaalsContact C-N 3.35Å; I537-C547 WeakPolarHBondContact CD1-O 3.42Å; I537-P549 HydrophobicContact CD1-CG 4.14Å; I537-P549 HydrophobicContact CG1-CG 4.24Å; I537-P549 HydrophobicContact CG2-CG 4.36Å
538	E	67.4	Low	77.8	Confident	171 Å²	171	52.3 Å²	52.3	80%	0.799	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	-30.9	-179	-62.8	-171.9	157.9	0	0	113.4
539	K	69.4	Low	77.6	Confident	138 Å²	138	53.8 Å²	53.8	60%	0.6	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.3	110.1	176.8	-69.3	-173.7	179.5	-177.5	0	109.7	I537 F550	I537-K539 VanDerWaalsContact C-N 3.35Å; K539-F550 HydrophobicContact CB-CD2 3.78Å; K539-F550 HydrophobicContact CB-CE2 3.71Å; K539-F550 HydrophobicContact CD-CE2 4.3Å; K539-F550 HydrophobicContact CG-CE2 4.48Å
540	G	72.2	Confident	77.1	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	179.9	177.7	0	0	0	0	0	112.9	C532 V548	C532-G540 PolarHBondContact N-O 3.14Å; C532-G540 CarbonylContact O-C 3Å; C532-G540 WeakPolarHBondContact O-CA 3.46Å; C532-G540 PolarHBondContact O-N 2.92Å; G540-V548 CarbonylContact C-O 3.49Å; G540-V548 WeakPolarHBondContact CA-O 3.08Å
541	W	80.5	Confident	75.9	Confident	6 Å²	6	61.5 Å²	61.5	2%	0.023	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.5	177.6	65.1	-52.6	0	0	0	109.6	T530 C532 Y543 V548 P549 F550 W553	T530-W541 CarbonylContact O-C 3.55Å; T530-W541 VanDerWaalsContact O-CA 3.3Å; T530-W541 WeakPolarHBondContact O-CA 3.44Å; C532-W541 PolarHBondContact SG-N 2.86Å; W541-Y543 AromaticContact CH2-CD2 3.72Å; W541-Y543 HydrophobicContact CH2-CD2 3.72Å; W541-Y543 HydrophobicContact CH2-CG 4.46Å; W541-Y543 HydrophobicContact CZ2-CD2 4.26Å; W541-V548 HydrophobicContact CZ2-CG2 4.09Å; W541-V548 PolarHBondContact N-O 3.17Å; W541-V548 WeakPolarHBondContact O-CG2 3.39Å; W541-V548 PolarHBondContact O-N 2.98Å; W541-P549 PolarHBondContact NE1-O 3.15Å; W541-F550 HydrophobicContact CB-CD1 4.18Å; W541-F550 HydrophobicContact CB-CE1 3.93Å; W541-F550 AromaticContact CD1-CD1 3.76Å; W541-F550 HydrophobicContact CG-CD1 4.07Å; W541-F550 HydrophobicContact CG-CE1 4.3Å; W541-W553 AromaticContact CE2-NE1 3.99Å; W541-W553 HydrophobicContact CE3-CZ2 4.15Å; W541-W553 AromaticContact CH2-CD1 3.99Å; W541-W553 AromaticContact CH2-CD2 3.28Å; W541-W553 HydrophobicContact CH2-CD2 3.28Å; W541-W553 AromaticContact CH2-CE2 3.09Å; W541-W553 AromaticContact CH2-CE3 3.61Å; W541-W553 HydrophobicContact CH2-CE3 3.61Å; W541-W553 AromaticContact CH2-CG 3.89Å; W541-W553 HydrophobicContact CH2-CG 3.89Å; W541-W553 AromaticContact CH2-CH2 3.65Å; W541-W553 HydrophobicContact CH2-CH2 3.65Å; W541-W553 AromaticContact CH2-CZ2 3.31Å; W541-W553 HydrophobicContact CH2-CZ2 3.31Å; W541-W553 AromaticContact CH2-CZ3 3.78Å; W541-W553 HydrophobicContact CH2-CZ3 3.78Å; W541-W553 AromaticContact CH2-NE1 3.53Å; W541-W553 AromaticContact CZ2-CD1 3.59Å; W541-W553 AromaticContact CZ2-CD2 3.64Å; W541-W553 HydrophobicContact CZ2-CD2 3.64Å; W541-W553 AromaticContact CZ2-CE2 3.55Å; W541-W553 HydrophobicContact CZ2-CE3 4.33Å; W541-W553 AromaticContact CZ2-CG 3.7Å; W541-W553 HydrophobicContact CZ2-CG 3.7Å; W541-W553 HydrophobicContact CZ2-CZ2 4.18Å; W541-W553 AromaticContact CZ2-NE1 3.47Å; W541-W553 HydrophobicContact CZ3-CD2 4.15Å; W541-W553 AromaticContact CZ3-CE2 3.53Å; W541-W553 HydrophobicContact CZ3-CE3 4.43Å; W541-W553 AromaticContact CZ3-CH2 3.61Å; W541-W553 HydrophobicContact CZ3-CH2 3.61Å; W541-W553 AromaticContact CZ3-CZ2 3.24Å; W541-W553 HydrophobicContact CZ3-CZ2 3.24Å; W541-W553 HydrophobicContact CZ3-CZ3 4.18Å
542	C	80.7	Confident	74.8	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.2	-174.8	-62.4	0	0	0	0	112.6	C507 E528 G529 T530	C507-C542 WeakPolarHBondContact CA-SG 3.47Å; C507-C542 HydrophobicContact CB-CB 3.58Å; C507-C542 WeakPolarHBondContact CB-SG 3.25Å; C507-C542 WeakPolarHBondContact SG-CA 3.47Å; C507-C542 WeakPolarHBondContact SG-CB 3.29Å; C507-C542 CovalentContact SG-SG 2.04Å; C507-C542 PolarHBondContact SG-SG 3.31Å; E528-C542 CarbonylContact C-O 3.55Å; E528-C542 WeakPolarHBondContact CA-O 3.22Å; G529-C542 PolarHBondContact N-O 3.16Å; T530-C542 PolarHBondContact O-N 3.06Å; T530-C542 PolarHBondContact O-SG 2.87Å; T530-C542 VanDerWaalsContact O-SG 3.37Å
543	Y	80.3	Confident	73.6	Confident	18 Å²	18	67.5 Å²	67.5	7%	0.071	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.5	177.7	-177.5	-89.7	0	0	0	110.4	W541 G545 D546 P554	W541-Y543 AromaticContact CH2-CD2 3.72Å; W541-Y543 HydrophobicContact CH2-CD2 3.72Å; W541-Y543 HydrophobicContact CH2-CG 4.46Å; W541-Y543 HydrophobicContact CZ2-CD2 4.26Å; Y543-G545 PolarHBondContact O-N 3.27Å; Y543-D546 PolarHBondContact N-O 2.79Å; Y543-D546 PolarHBondContact O-N 2.8Å; Y543-P554 HydrophobicContact CD1-CG 4.31Å; Y543-P554 HydrophobicContact CE1-CG 3.73Å
544	Q	75.5	Confident	72.3	Confident	66 Å²	66	64 Å²	64	31%	0.308	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	24.8	-177.4	-64.4	-172.7	-61.9	0	0	116.1	F442	F442-Q544 WeakPolarHBondContact CD2-O 3.44Å
545	G	78.3	Confident	71.2	Confident	11 Å²	11	69.9 Å²	69.9	11%	0.113	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.9	-13	179.1	0	0	0	0	0	115.5	C507 R508 Y543	C507-G545 CarbonylContact C-O 3.42Å; C507-G545 WeakPolarHBondContact CB-O 3.4Å; C507-G545 CarbonylContact O-C 3.5Å; C507-G545 WeakPolarHBondContact O-CA 3.47Å; C507-G545 VanDerWaalsContact O-O 3.1Å; R508-G545 WeakPolarHBondContact CG-O 3.33Å; R508-G545 PolarHBondContact N-O 3.13Å; R508-G545 VanDerWaalsContact N-O 3.17Å; Y543-G545 PolarHBondContact O-N 3.27Å
546	D	83.6	Confident	70.7	Confident	70 Å²	70	69.1 Å²	69.1	37%	0.374	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	151.3	-179.2	-73.7	-41.1	0	0	0	112.4	R508 Y543 V548	R508-D546 IonicContact CZ-OD1 3.65Å; R508-D546 IonicContact NE-OD1 2.67Å; R508-D546 PolarHBondContact NE-OD1 2.95Å; R508-D546 IonicContact NH2-OD1 3.25Å; R508-D546 PolarHBondContact NH2-OD1 3.15Å; R508-D546 IonicContact NH2-OD2 3.19Å; Y543-D546 PolarHBondContact N-O 2.79Å; Y543-D546 PolarHBondContact O-N 2.8Å; D546-V548 PolarHBondContact O-N 3.18Å
547	C	84.3	Confident	70.7	Confident	10 Å²	10	65.1 Å²	65.1	7%	0.068	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	112.6	172.2	-175	0	0	0	0	111	E505 C507 C532 T534 I537	E505-C547 HydrophobicContact CG-CB 4.4Å; E505-C547 WeakPolarHBondContact OE1-CB 2.99Å; E505-C547 PolarHBondContact OE1-N 2.85Å; C507-C547 VanDerWaalsContact SG-CA 3.58Å; C532-C547 VanDerWaalsContact C-SG 3.59Å; C532-C547 HydrophobicContact CB-CB 3.78Å; C532-C547 WeakPolarHBondContact CB-SG 3.33Å; C532-C547 WeakPolarHBondContact SG-CA 3.24Å; C532-C547 WeakPolarHBondContact SG-CB 3.22Å; C532-C547 CovalentContact SG-SG 2.03Å; C532-C547 PolarHBondContact SG-SG 2.88Å; T534-C547 HydrophobicContact CG2-CB 3.7Å; I537-C547 WeakPolarHBondContact CD1-O 3.42Å
548	V	81.9	Confident	70.9	Confident	31 Å²	31	67.9 Å²	67.9	19%	0.188	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	148.4	177.5	-67.2	0	0	0	0	111.5	G540 W541 D546	G540-V548 CarbonylContact C-O 3.49Å; G540-V548 WeakPolarHBondContact CA-O 3.08Å; W541-V548 HydrophobicContact CZ2-CG2 4.09Å; W541-V548 PolarHBondContact N-O 3.17Å; W541-V548 WeakPolarHBondContact O-CG2 3.39Å; W541-V548 PolarHBondContact O-N 2.98Å; D546-V548 PolarHBondContact O-N 3.18Å
549	P	73	Confident	71.6	Confident	53 Å²	53	60.6 Å²	60.6	34%	0.344	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	155.5	174.7	-25.9	34.8	0	0	0	113.7	I537 W541 G551 T552	I537-P549 HydrophobicContact CD1-CG 4.14Å; I537-P549 HydrophobicContact CG1-CG 4.24Å; I537-P549 HydrophobicContact CG2-CG 4.36Å; W541-P549 PolarHBondContact NE1-O 3.15Å; P549-G551 PolarHBondContact O-N 3.16Å; P549-T552 HydrophobicContact CB-CG2 4.23Å; P549-T552 WeakPolarHBondContact CD-OG1 3.38Å; P549-T552 PolarHBondContact O-N 3.27Å; P549-T552 PolarHBondContact O-OG1 2.66Å
550	F	65.2	Low	72.3	Confident	99 Å²	99	54.9 Å²	54.9	43%	0.434	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	132.9	169.1	-74.5	-40.6	0	0	0	111.3	L531 K539 W541	L531-F550 HydrophobicContact CD2-CE1 4.22Å; L531-F550 HydrophobicContact CD2-CZ 3.73Å; K539-F550 HydrophobicContact CB-CD2 3.78Å; K539-F550 HydrophobicContact CB-CE2 3.71Å; K539-F550 HydrophobicContact CD-CE2 4.3Å; K539-F550 HydrophobicContact CG-CE2 4.48Å; W541-F550 HydrophobicContact CB-CD1 4.18Å; W541-F550 HydrophobicContact CB-CE1 3.93Å; W541-F550 AromaticContact CD1-CD1 3.76Å; W541-F550 HydrophobicContact CG-CD1 4.07Å; W541-F550 HydrophobicContact CG-CE1 4.3Å
551	G	56	Low	73	Confident	67 Å²	67	57.2 Å²	57.2	69%	0.691	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-22.3	-179.8	0	0	0	0	0	114.7	P549 W553	P549-G551 PolarHBondContact O-N 3.16Å; G551-W553 PolarHBondContact O-N 2.94Å
552	T	56.9	Low	73.2	Confident	71 Å²	71	57.2 Å²	57.2	44%	0.436	32%	0.321	S	S	.	.			trans	-84.1	63.5	176.3	61.5	0	0	0	0	111.6	P549	P549-T552 HydrophobicContact CB-CG2 4.23Å; P549-T552 WeakPolarHBondContact CD-OG1 3.38Å; P549-T552 PolarHBondContact O-N 3.27Å; P549-T552 PolarHBondContact O-OG1 2.66Å
553	W	55.8	Low	73.4	Confident	145 Å²	145	62.2 Å²	62.2	55%	0.549	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-70.7	127.4	156.4	-71.2	71.7	0	0	0	107.4	W541 G551 Q555	W541-W553 AromaticContact CE2-NE1 3.99Å; W541-W553 HydrophobicContact CE3-CZ2 4.15Å; W541-W553 AromaticContact CH2-CD1 3.99Å; W541-W553 AromaticContact CH2-CD2 3.28Å; W541-W553 HydrophobicContact CH2-CD2 3.28Å; W541-W553 AromaticContact CH2-CE2 3.09Å; W541-W553 AromaticContact CH2-CE3 3.61Å; W541-W553 HydrophobicContact CH2-CE3 3.61Å; W541-W553 AromaticContact CH2-CG 3.89Å; W541-W553 HydrophobicContact CH2-CG 3.89Å; W541-W553 AromaticContact CH2-CH2 3.65Å; W541-W553 HydrophobicContact CH2-CH2 3.65Å; W541-W553 AromaticContact CH2-CZ2 3.31Å; W541-W553 HydrophobicContact CH2-CZ2 3.31Å; W541-W553 AromaticContact CH2-CZ3 3.78Å; W541-W553 HydrophobicContact CH2-CZ3 3.78Å; W541-W553 AromaticContact CH2-NE1 3.53Å; W541-W553 AromaticContact CZ2-CD1 3.59Å; W541-W553 AromaticContact CZ2-CD2 3.64Å; W541-W553 HydrophobicContact CZ2-CD2 3.64Å; W541-W553 AromaticContact CZ2-CE2 3.55Å; W541-W553 HydrophobicContact CZ2-CE3 4.33Å; W541-W553 AromaticContact CZ2-CG 3.7Å; W541-W553 HydrophobicContact CZ2-CG 3.7Å; W541-W553 HydrophobicContact CZ2-CZ2 4.18Å; W541-W553 AromaticContact CZ2-NE1 3.47Å; W541-W553 HydrophobicContact CZ3-CD2 4.15Å; W541-W553 AromaticContact CZ3-CE2 3.53Å; W541-W553 HydrophobicContact CZ3-CE3 4.43Å; W541-W553 AromaticContact CZ3-CH2 3.61Å; W541-W553 HydrophobicContact CZ3-CH2 3.61Å; W541-W553 AromaticContact CZ3-CZ2 3.24Å; W541-W553 HydrophobicContact CZ3-CZ2 3.24Å; W541-W553 HydrophobicContact CZ3-CZ3 4.18Å; G551-W553 PolarHBondContact O-N 2.94Å; W553-Q555 PolarHBondContact O-N 2.89Å
554	P	54.1	Low	73.8	Confident	60 Å²	60	64.9 Å²	64.9	39%	0.39	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-56.6	137.4	167.9	-23.1	34.7	0	0	0	109.5	Y543 S556	Y543-P554 HydrophobicContact CD1-CG 4.31Å; Y543-P554 HydrophobicContact CE1-CG 3.73Å; P554-S556 PolarHBondContact O-N 3.04Å
555	Q	55.7	Low	74.3	Confident	172 Å²	172	64.1 Å²	64.1	80%	0.804	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-66.3	131.3	170.9	-74	-171.7	-12.3	0	0	108.9	W553 I557	W553-Q555 PolarHBondContact O-N 2.89Å; Q555-I557 PolarHBondContact O-N 2.96Å
556	S	63.7	Low	74.8	Confident	69 Å²	69	71.3 Å²	71.3	48%	0.483	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-68.2	124.6	172.8	178.6	0	0	0	0	109.3	P554 G593 G594	P554-S556 PolarHBondContact O-N 3.04Å; S556-G593 VanDerWaalsContact OG-C 3.26Å; S556-G593 PolarHBondContact OG-O 3.36Å; S556-G594 WeakPolarHBondContact OG-CA 3.44Å; S556-G594 PolarHBondContact OG-N 2.81Å
557	I	76.9	Confident	75.1	Confident	79 Å²	79	71.9 Å²	71.9	41%	0.405	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-119.4	108.6	178.2	-61.1	176.1	0	0	0	107	Q555 P588 P590 S591 G594	Q555-I557 PolarHBondContact O-N 2.96Å; I557-P588 HydrophobicContact CG2-CB 4.38Å; I557-P588 HydrophobicContact CG2-CG 4Å; I557-P590 VanDerWaalsContact O-CA 3.29Å; I557-P590 WeakPolarHBondContact O-CA 3.38Å; I557-S591 PolarHBondContact N-O 2.91Å; I557-S591 PolarHBondContact O-N 2.93Å; I557-G594 WeakPolarHBondContact O-CA 3.11Å
558	D	77.8	Confident	75.2	Confident	87 Å²	87	73.2 Å²	73.2	47%	0.465	41%	0.413	S	S	.	.			trans	-63.6	143.6	174.2	-74.7	-9.5	0	0	0	111	G594 K595	D558-G594 WeakPolarHBondContact OD1-CA 3.36Å; D558-K595 HydrophobicContact CB-CB 4.46Å; D558-K595 WeakPolarHBondContact OD1-CB 3.44Å; D558-K595 WeakPolarHBondContact OD1-CG 3.22Å; D558-K595 PolarHBondContact OD1-N 3.14Å
559	G	81.3	Confident	75.7	Confident	18 Å²	18	80.8 Å²	80.8	19%	0.186	45%	0.446	C	S	.	.			trans	-77.2	142	-175.3	0	0	0	0	0	113.6	P588 K595 C597	G559-P588 CarbonylContact C-O 3.58Å; G559-P588 WeakPolarHBondContact CA-O 3.43Å; G559-K595 PolarHBondContact N-O 3.2Å; G559-C597 PolarHBondContact O-SG 2.86Å
560	G	83.9	Confident	76.7	Confident	17 Å²	17	79.9 Å²	79.9	18%	0.175	44%	0.441	C	S	.	.			trans	-111.7	145.3	172.6	0	0	0	0	0	112.7	G562 C585 D586 S587 P588	G560-G562 PolarHBondContact O-N 3.06Å; G560-C585 CarbonylContact O-C 3.55Å; G560-D586 PolarHBondContact O-N 2.99Å; G560-D586 VanDerWaalsContact O-N 3.14Å; G560-S587 CarbonylContact C-O 3.57Å; G560-S587 WeakPolarHBondContact CA-O 3.34Å; G560-S587 CarbonylContact O-C 3.52Å; G560-S587 PolarHBondContact O-N 2.94Å; G560-P588 PolarHBondContact N-O 2.92Å
561	W	88.7	Confident	78	Confident	51 Å²	51	76.9 Å²	76.9	19%	0.193	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-69.8	124.2	177.5	-78.8	120.1	0	0	0	111.5	R583 C585 Y596 C597 L598 G599 R601	W561-R583 HydrophobicContact CD2-CG 4.28Å; W561-R583 HydrophobicContact CE3-CG 3.69Å; W561-R583 VanDerWaalsContact CG-CZ 3.42Å; W561-R583 HydrophobicContact CZ3-CG 4.17Å; W561-C585 HydrophobicContact CE3-CB 4.46Å; W561-C585 HydrophobicContact CZ3-CB 4.28Å; W561-Y596 HydrophobicContact CH2-CE1 4.27Å; W561-C597 HydrophobicContact CD2-CB 3.67Å; W561-C597 HydrophobicContact CE3-CB 4.08Å; W561-C597 HydrophobicContact CG-CB 4.16Å; W561-C597 HydrophobicContact CH2-CB 3.88Å; W561-C597 HydrophobicContact CZ2-CB 3.48Å; W561-C597 VanDerWaalsContact CZ2-CB 3.48Å; W561-C597 HydrophobicContact CZ3-CB 4.18Å; W561-L598 PolarHBondContact NE1-O 3.25Å; W561-G599 WeakPolarHBondContact CZ2-O 3.46Å; W561-R601 HydrophobicContact CH2-CB 3.67Å; W561-R601 HydrophobicContact CZ2-CB 4.42Å; W561-R601 HydrophobicContact CZ3-CB 4.13Å
562	G	83.5	Confident	79.6	Confident	5 Å²	5	75.2 Å²	75.2	5%	0.052	41%	0.405	C	S	.	.			trans	-68.5	175.5	168.8	0	0	0	0	0	114.1	G560 H584 D586 S587	G560-G562 PolarHBondContact O-N 3.06Å; G562-H584 PolarHBondContact N-O 2.82Å; G562-D586 WeakPolarHBondContact CA-OD1 3.49Å; G562-D586 PolarHBondContact N-OD1 3.16Å; G562-S587 WeakPolarHBondContact CA-OG 3.39Å
563	P	86	Confident	81.1	Confident	108 Å²	108	78 Å²	78	70%	0.701	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-61.4	151.2	175.4	28	-35	0	0	0	111.2	R583	P563-R583 WeakPolarHBondContact O-CB 3.47Å
564	W	88.5	Confident	82.6	Confident	73 Å²	73	72.4 Å²	72.4	28%	0.277	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-66.5	134.2	170.6	-71.8	104.7	0	0	0	111	S581 R583 E600 R601 R603	W564-S581 WeakPolarHBondContact CZ3-O 3.29Å; W564-R583 HydrophobicContact CD2-CB 4.23Å; W564-R583 HydrophobicContact CD2-CG 4.06Å; W564-R583 HydrophobicContact CE3-CB 3.96Å; W564-R583 HydrophobicContact CE3-CG 3.8Å; W564-R583 HydrophobicContact CH2-CG 4.01Å; W564-R583 HydrophobicContact CZ2-CG 4.25Å; W564-R583 HydrophobicContact CZ3-CB 4.36Å; W564-R583 HydrophobicContact CZ3-CG 3.77Å; W564-E600 HydrophobicContact CH2-CB 4.19Å; W564-E600 WeakPolarHBondContact CH2-O 3.35Å; W564-E600 HydrophobicContact CZ2-CB 4.39Å; W564-R601 WeakPolarHBondContact CZ3-O 3.17Å; W564-R603 VanDerWaalsContact CB-NH2 3.26Å; W564-R603 HydrophobicContact CD2-CG 4.27Å; W564-R603 HydrophobicContact CE3-CG 3.78Å; W564-R603 VanDerWaalsContact CG-CZ 3.47Å; W564-R603 HydrophobicContact CH2-CB 3.9Å; W564-R603 HydrophobicContact CH2-CG 3.9Å; W564-R603 HydrophobicContact CZ2-CB 4.47Å; W564-R603 HydrophobicContact CZ2-CG 4.37Å; W564-R603 HydrophobicContact CZ3-CB 4.01Å; W564-R603 HydrophobicContact CZ3-CG 3.59Å
565	S	84.5	Confident	84	Confident	51 Å²	51	70 Å²	70	36%	0.357	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-56.3	157.9	170.1	78.8	0	0	0	0	110.9	S581 L582	S565-S581 PolarHBondContact O-OG 2.82Å; S565-L582 VanDerWaalsContact CB-O 3.28Å; S565-L582 WeakPolarHBondContact CB-O 3.1Å; S565-L582 PolarHBondContact N-O 2.9Å; S565-L582 PolarHBondContact OG-N 3.42Å; S565-L582 PolarHBondContact OG-O 3.28Å
566	L	88.7	Confident	85.4	Confident	162 Å²	162	62 Å²	62	85%	0.848	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-51.3	149	158.2	-62.5	179.5	0	0	0	109.9	G568	L566-G568 PolarHBondContact O-N 3.37Å
567	W	90.2	Very high	86.6	Confident	82 Å²	82	58.7 Å²	58.7	31%	0.311	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-66	125.1	174.5	-70.5	103.8	0	0	0	109.7	S581 R603 R605	W567-S581 VanDerWaalsContact CE3-CB 3.47Å; W567-R603 HydrophobicContact CH2-CG 3.73Å; W567-R603 HydrophobicContact CZ2-CG 4.38Å; W567-R603 HydrophobicContact CZ3-CG 4.14Å; W567-R605 VanDerWaalsContact CB-NH2 3.3Å; W567-R605 HydrophobicContact CD2-CG 4.17Å; W567-R605 VanDerWaalsContact CD2-NE 3.3Å; W567-R605 HydrophobicContact CE3-CG 3.74Å; W567-R605 VanDerWaalsContact CG-CZ 3.46Å; W567-R605 HydrophobicContact CH2-CB 3.97Å; W567-R605 HydrophobicContact CH2-CG 3.95Å; W567-R605 HydrophobicContact CZ2-CG 4.36Å; W567-R605 HydrophobicContact CZ3-CB 4.04Å; W567-R605 HydrophobicContact CZ3-CG 3.63Å
568	G	87.3	Confident	87.4	Confident	37 Å²	37	55.2 Å²	55.2	38%	0.381	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-66.8	171.5	174	0	0	0	0	0	112.5	L566 S579 S580	L566-G568 PolarHBondContact O-N 3.37Å; G568-S579 PolarHBondContact O-OG 2.86Å; G568-S580 PolarHBondContact N-O 2.91Å
569	E	91.9	Very high	88	Confident	190 Å²	190	51.1 Å²	51.1	89%	0.888	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-55.1	154.2	179.6	-59.7	-171.3	149.3	0	0	112.4
570	C	93.1	Very high	88.5	Confident	35 Å²	35	52 Å²	52	24%	0.236	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-78.6	130	178.1	-164.6	0	0	0	0	109.9	R572 C607 N608	C570-R572 PolarHBondContact O-N 3.1Å; C570-R572 VanDerWaalsContact O-N 3.09Å; C570-R572 PolarHBondContact SG-O 3.11Å; C570-C607 VanDerWaalsContact CA-SG 3.54Å; C570-C607 HydrophobicContact CB-CB 3.88Å; C570-C607 WeakPolarHBondContact CB-SG 3.41Å; C570-C607 VanDerWaalsContact SG-C 3.57Å; C570-C607 WeakPolarHBondContact SG-CB 3.45Å; C570-C607 CovalentContact SG-SG 2.03Å; C570-C607 PolarHBondContact SG-SG 3.02Å; C570-N608 WeakPolarHBondContact CB-ND2 3.5Å
571	S	92.4	Very high	88.8	Confident	36 Å²	36	51.2 Å²	51.2	25%	0.252	29%	0.287	S	S	.	.	S	Bend	trans	-63	-16.9	-177.4	64.6	0	0	0	0	115.2	V578 F619 D671	S571-V578 WeakPolarHBondContact CB-O 3.13Å; S571-V578 PolarHBondContact N-O 3.05Å; S571-V578 PolarHBondContact OG-N 2.95Å; S571-V578 PolarHBondContact OG-O 2.82Å; S571-F619 WeakPolarHBondContact O-CZ 3.41Å; S571-D671 WeakPolarHBondContact CB-O 3.43Å; S571-D671 PolarHBondContact OG-O 3.45Å
572	R	89.8	Confident	88.6	Confident	31 Å²	31	52 Å²	52	12%	0.117	30%	0.295	C	S	.	.			trans	-138.9	150.3	178.4	-64	172.3	55	-165	-7.7	110.2	C570 C574 G575 G576 N608 F619 G672	C570-R572 PolarHBondContact O-N 3.1Å; C570-R572 VanDerWaalsContact O-N 3.09Å; C570-R572 PolarHBondContact SG-O 3.11Å; R572-C574 PolarHBondContact NE-O 3.23Å; R572-C574 PolarHBondContact NH2-O 3.44Å; R572-G575 PolarHBondContact NH1-O 2.89Å; R572-G575 PolarHBondContact NH2-O 3.49Å; R572-G576 PolarHBondContact NH1-O 3.27Å; R572-N608 PolarHBondContact O-ND2 2.95Å; R572-F619 HydrophobicContact CG-CD1 3.91Å; R572-F619 HydrophobicContact CG-CD2 4.13Å; R572-F619 HydrophobicContact CG-CE1 3.64Å; R572-F619 HydrophobicContact CG-CE2 3.89Å; R572-F619 HydrophobicContact CG-CG 4.15Å; R572-F619 HydrophobicContact CG-CZ 3.63Å; R572-G672 WeakPolarHBondContact CD-O 3.48Å; R572-G672 PolarHBondContact NH1-O 3Å
573	T	89.5	Confident	88.7	Confident	130 Å²	130	54.1 Å²	54.1	80%	0.798	30%	0.301	S	S	*	.	S	Bend	trans	-88.4	-12	175.9	48.8	0	0	0	0	114
574	C	88.1	Confident	88.4	Confident	28 Å²	28	54.1 Å²	54.1	19%	0.189	29%	0.292	C	S	.	.	S	Bend	trans	-159.8	161.7	178.1	58.9	0	0	0	0	111.7	R572 N608 C612	R572-C574 PolarHBondContact NE-O 3.23Å; R572-C574 PolarHBondContact NH2-O 3.44Å; C574-N608 CarbonylContact C-O 3.57Å; C574-C612 HydrophobicContact CB-CB 3.97Å; C574-C612 WeakPolarHBondContact CB-SG 3.32Å; C574-C612 PolarHBondContact O-SG 3.16Å; C574-C612 WeakPolarHBondContact SG-CA 3.08Å; C574-C612 WeakPolarHBondContact SG-CB 3.08Å; C574-C612 CovalentContact SG-SG 2.05Å; C574-C612 PolarHBondContact SG-SG 3.47Å
575	G	81.5	Confident	88.2	Confident	10 Å²	10	51.2 Å²	51.2	10%	0.103	28%	0.283	C	S	.	.	S	Bend	trans	72.2	30.8	169.5	0	0	0	0	0	114.9	R572 N608 D610	R572-G575 PolarHBondContact NH1-O 2.89Å; R572-G575 PolarHBondContact NH2-O 3.49Å; G575-N608 PolarHBondContact N-O 3.09Å; G575-D610 WeakPolarHBondContact CA-O 3.06Å; G575-D610 PolarHBondContact N-O 3.03Å
576	G	86.1	Confident	88.1	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	86	84.6	-179.3	0	0	0	0	0	112.7	R572 N608	R572-G576 PolarHBondContact NH1-O 3.27Å; G576-N608 PolarHBondContact N-O 3.5Å
577	G	89.7	Confident	87.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	171.2	166.2	0	0	0	0	0	112.7	S606 C607	G577-S606 CarbonylContact O-C 3.59Å; G577-S606 WeakPolarHBondContact O-CA 3.39Å; G577-C607 CarbonylContact C-O 3.51Å; G577-C607 VanDerWaalsContact C-SG 3.6Å; G577-C607 WeakPolarHBondContact CA-O 3.47Å; G577-C607 PolarHBondContact N-O 3.06Å; G577-C607 PolarHBondContact O-N 3.13Å
578	V	92.3	Very high	87.4	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.8	178.4	177.5	0	0	0	0	109.8	S571 Y604 R605 D671 I682 I684	S571-V578 WeakPolarHBondContact CB-O 3.13Å; S571-V578 PolarHBondContact N-O 3.05Å; S571-V578 PolarHBondContact OG-N 2.95Å; S571-V578 PolarHBondContact OG-O 2.82Å; V578-Y604 HydrophobicContact CG1-CD1 3.61Å; V578-Y604 HydrophobicContact CG1-CE1 4.37Å; V578-Y604 HydrophobicContact CG1-CG 4.46Å; V578-R605 WeakPolarHBondContact CA-O 3.39Å; V578-D671 HydrophobicContact CB-CB 4.26Å; V578-D671 HydrophobicContact CG1-CB 4.35Å; V578-I682 HydrophobicContact CG2-CD1 3.5Å; V578-I682 VanDerWaalsContact CG2-CD1 3.5Å; V578-I682 HydrophobicContact CG2-CG1 4.41Å; V578-I684 HydrophobicContact CG1-CD1 4.07Å; V578-I684 HydrophobicContact CG1-CG1 4.44Å; V578-I684 HydrophobicContact CG2-CD1 3.9Å; V578-I684 HydrophobicContact CG2-CG1 4.12Å
579	S	92	Very high	86.9	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.7	171.8	167.6	0	0	0	0	108.4	G568 Y604 R605 C607	G568-S579 PolarHBondContact O-OG 2.86Å; S579-Y604 WeakPolarHBondContact O-CA 3.45Å; S579-R605 PolarHBondContact N-O 3.33Å; S579-R605 PolarHBondContact O-N 2.93Å; S579-C607 VanDerWaalsContact CB-SG 3.57Å; S579-C607 PolarHBondContact N-SG 3.02Å; S579-C607 VanDerWaalsContact N-SG 3.41Å
580	S	90.9	Very high	86.3	Confident	36 Å²	36	40 Å²	40	25%	0.252	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155	-178.7	71.8	0	0	0	0	113	G568 K602 R603	G568-S580 PolarHBondContact N-O 2.91Å; S580-K602 WeakPolarHBondContact OG-CE 3.49Å; S580-R603 CarbonylContact C-O 3.54Å; S580-R603 VanDerWaalsContact CA-O 3.24Å; S580-R603 WeakPolarHBondContact CA-O 3.41Å; S580-R603 WeakPolarHBondContact CB-O 3.42Å
581	S	89.3	Confident	85.3	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.4	179.7	163.7	0	0	0	0	107.5	W564 S565 W567 K602 R603	W564-S581 WeakPolarHBondContact CZ3-O 3.29Å; S565-S581 PolarHBondContact O-OG 2.82Å; W567-S581 VanDerWaalsContact CE3-CB 3.47Å; S581-K602 CarbonylContact O-C 3.29Å; S581-K602 WeakPolarHBondContact O-CA 3.46Å; S581-R603 PolarHBondContact N-O 3.02Å; S581-R603 PolarHBondContact O-N 3.27Å; S581-R603 PolarHBondContact OG-NE 3.42Å; S581-R603 PolarHBondContact OG-NH2 2.92Å
582	L	84.9	Confident	83.8	Confident	67 Å²	67	40.2 Å²	40.2	35%	0.351	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	155.8	-172.5	-169.2	74.2	0	0	0	109.4	S565 R601 K602	S565-L582 VanDerWaalsContact CB-O 3.28Å; S565-L582 WeakPolarHBondContact CB-O 3.1Å; S565-L582 PolarHBondContact N-O 2.9Å; S565-L582 PolarHBondContact OG-N 3.42Å; S565-L582 PolarHBondContact OG-O 3.28Å; L582-R601 CarbonylContact C-O 3.45Å; L582-R601 WeakPolarHBondContact CA-O 3.36Å; L582-R601 WeakPolarHBondContact CD1-O 3.39Å; L582-K602 HydrophobicContact CD1-CB 3.82Å; L582-K602 HydrophobicContact CD1-CD 4.45Å; L582-K602 HydrophobicContact CD1-CG 4.05Å
583	R	85.6	Confident	82.5	Confident	49 Å²	49	41.2 Å²	41.2	19%	0.185	27%	0.266	C	S	.	.			trans	-137	154.3	163.5	58.9	177.9	178.4	167.8	0.5	111	W561 P563 W564 E600 R601	W561-R583 HydrophobicContact CD2-CG 4.28Å; W561-R583 HydrophobicContact CE3-CG 3.69Å; W561-R583 VanDerWaalsContact CG-CZ 3.42Å; W561-R583 HydrophobicContact CZ3-CG 4.17Å; P563-R583 WeakPolarHBondContact O-CB 3.47Å; W564-R583 HydrophobicContact CD2-CB 4.23Å; W564-R583 HydrophobicContact CD2-CG 4.06Å; W564-R583 HydrophobicContact CE3-CB 3.96Å; W564-R583 HydrophobicContact CE3-CG 3.8Å; W564-R583 HydrophobicContact CH2-CG 4.01Å; W564-R583 HydrophobicContact CZ2-CG 4.25Å; W564-R583 HydrophobicContact CZ3-CB 4.36Å; W564-R583 HydrophobicContact CZ3-CG 3.77Å; R583-E600 VanDerWaalsContact CZ-O 3.24Å; R583-E600 PolarHBondContact NE-O 3.29Å; R583-E600 PolarHBondContact NH2-O 3.28Å; R583-R601 PolarHBondContact N-O 3.24Å
584	H	80.8	Confident	81.4	Confident	109 Å²	109	35.1 Å²	35.1	51%	0.505	23%	0.229	S	C	.	.			trans	-107.3	161.2	-179.7	-59.2	-69	0	0	0	111	G562 D586	G562-H584 PolarHBondContact N-O 2.82Å; H584-D586 HydrophobicContact CB-CB 4.46Å; H584-D586 WeakPolarHBondContact CB-OD2 3.35Å; H584-D586 PolarHBondContact O-N 3.32Å
585	C	83.3	Confident	80.6	Confident	12 Å²	12	40 Å²	40	8%	0.081	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-93.7	77.2	176.4	-172	0	0	0	0	108.5	G560 W561 P590 Y596 C597	G560-C585 CarbonylContact O-C 3.55Å; W561-C585 HydrophobicContact CE3-CB 4.46Å; W561-C585 HydrophobicContact CZ3-CB 4.28Å; C585-P590 WeakPolarHBondContact O-CD 3.33Å; C585-Y596 HydrophobicContact CB-CD2 4Å; C585-Y596 HydrophobicContact CB-CE1 4.1Å; C585-Y596 HydrophobicContact CB-CE2 3.36Å; C585-Y596 VanDerWaalsContact CB-CZ 3.42Å; C585-C597 VanDerWaalsContact CA-SG 3.51Å; C585-C597 HydrophobicContact CB-CB 3.75Å; C585-C597 WeakPolarHBondContact CB-SG 3.47Å; C585-C597 WeakPolarHBondContact SG-CB 3.27Å; C585-C597 PolarHBondContact SG-N 2.99Å; C585-C597 CovalentContact SG-SG 2.03Å; C585-C597 PolarHBondContact SG-SG 3.25Å
586	D	82.1	Confident	80.7	Confident	77 Å²	77	41.2 Å²	41.2	41%	0.412	25%	0.249	S	C	.	.			trans	-133.8	-2.7	-167.3	60.7	16.2	0	0	0	114.1	G560 G562 H584 P588 A589	G560-D586 PolarHBondContact O-N 2.99Å; G560-D586 VanDerWaalsContact O-N 3.14Å; G562-D586 WeakPolarHBondContact CA-OD1 3.49Å; G562-D586 PolarHBondContact N-OD1 3.16Å; H584-D586 HydrophobicContact CB-CB 4.46Å; H584-D586 WeakPolarHBondContact CB-OD2 3.35Å; H584-D586 PolarHBondContact O-N 3.32Å; D586-P588 CarbonylContact C-O 3.53Å; D586-P588 CarbonylContact O-C 3.43Å; D586-P588 VanDerWaalsContact O-C 3.27Å; D586-P588 WeakPolarHBondContact O-CA 3.1Å; D586-A589 PolarHBondContact O-N 3.41Å; D586-A589 VanDerWaalsContact O-N 3.07Å
587	S	82.5	Confident	80.8	Confident	63 Å²	63	41.3 Å²	41.3	44%	0.441	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	68.5	-167.8	-62.9	0	0	0	0	112.5	G560 G562	G560-S587 CarbonylContact C-O 3.57Å; G560-S587 WeakPolarHBondContact CA-O 3.34Å; G560-S587 CarbonylContact O-C 3.52Å; G560-S587 PolarHBondContact O-N 2.94Å; G562-S587 WeakPolarHBondContact CA-OG 3.39Å
588	P	83.6	Confident	80.7	Confident	72 Å²	72	45.4 Å²	45.4	47%	0.468	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83	163.7	0.3	35.2	-37	0	0	0	112.9	I557 G559 G560 D586	I557-P588 HydrophobicContact CG2-CB 4.38Å; I557-P588 HydrophobicContact CG2-CG 4Å; G559-P588 CarbonylContact C-O 3.58Å; G559-P588 WeakPolarHBondContact CA-O 3.43Å; G560-P588 PolarHBondContact N-O 2.92Å; D586-P588 CarbonylContact C-O 3.53Å; D586-P588 CarbonylContact O-C 3.43Å; D586-P588 VanDerWaalsContact O-C 3.27Å; D586-P588 WeakPolarHBondContact O-CA 3.1Å
589	A	76.8	Confident	80.4	Confident	58 Å²	58	46.2 Å²	46.2	48%	0.479	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-73.8	132.7	174.6	0	0	0	0	0	111.1	D586 S591	D586-A589 PolarHBondContact O-N 3.41Å; D586-A589 VanDerWaalsContact O-N 3.07Å; A589-S591 PolarHBondContact O-N 2.96Å
590	P	79.2	Confident	80	Confident	15 Å²	15	49.9 Å²	49.9	10%	0.097	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-65.8	125	-178.7	24.7	-33.5	0	0	0	112.2	S289 I557 C585 Y596	S289-P590 VanDerWaalsContact CB-CG 3.49Å; S289-P590 PolarHBondContact OG-O 3.19Å; I557-P590 VanDerWaalsContact O-CA 3.29Å; I557-P590 WeakPolarHBondContact O-CA 3.38Å; C585-P590 WeakPolarHBondContact O-CD 3.33Å; P590-Y596 HydrophobicContact CG-CD2 4.13Å
591	S	71.1	Confident	79.7	Confident	55 Å²	55	48.9 Å²	48.9	39%	0.385	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-145.9	165.4	-174.6	58.3	0	0	0	0	112.6	I557 A589 G593 G594	I557-S591 PolarHBondContact N-O 2.91Å; I557-S591 PolarHBondContact O-N 2.93Å; A589-S591 PolarHBondContact O-N 2.96Å; S591-G593 PolarHBondContact O-N 3.05Å; S591-G594 PolarHBondContact O-N 3.3Å
592	G	61.9	Low	79.5	Confident	21 Å²	21	51.1 Å²	51.1	22%	0.216	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	19.7	179.6	0	0	0	0	0	115.2
593	G	61	Low	79.7	Confident	53 Å²	53	51.7 Å²	51.7	55%	0.546	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	19.7	-170.4	0	0	0	0	0	114.4	S556 S591	S556-G593 VanDerWaalsContact OG-C 3.26Å; S556-G593 PolarHBondContact OG-O 3.36Å; S591-G593 PolarHBondContact O-N 3.05Å
594	G	66.2	Low	79.9	Confident	2 Å²	2	51.7 Å²	51.7	2%	0.021	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-72.3	149.2	174.2	0	0	0	0	0	113.8	S556 I557 D558 S591	S556-G594 WeakPolarHBondContact OG-CA 3.44Å; S556-G594 PolarHBondContact OG-N 2.81Å; I557-G594 WeakPolarHBondContact O-CA 3.11Å; D558-G594 WeakPolarHBondContact OD1-CA 3.36Å; S591-G594 PolarHBondContact O-N 3.3Å
595	K	72.4	Confident	80.3	Confident	130 Å²	130	51.9 Å²	51.9	57%	0.565	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-64.1	141.5	-176.7	-63.9	-175.7	174.1	-159	0	111.9	D558 G559	D558-K595 HydrophobicContact CB-CB 4.46Å; D558-K595 WeakPolarHBondContact OD1-CB 3.44Å; D558-K595 WeakPolarHBondContact OD1-CG 3.22Å; D558-K595 PolarHBondContact OD1-N 3.14Å; G559-K595 PolarHBondContact N-O 3.2Å
596	Y	84.3	Confident	80.7	Confident	35 Å²	35	52.5 Å²	52.5	14%	0.137	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-74.3	151.6	168.5	-168.1	-91.9	0	0	0	111.3	G292 V294 W561 C585 P590	G292-Y596 WeakPolarHBondContact O-CE1 3.37Å; V294-Y596 WeakPolarHBondContact CG2-O 3.27Å; W561-Y596 HydrophobicContact CH2-CE1 4.27Å; C585-Y596 HydrophobicContact CB-CD2 4Å; C585-Y596 HydrophobicContact CB-CE1 4.1Å; C585-Y596 HydrophobicContact CB-CE2 3.36Å; C585-Y596 VanDerWaalsContact CB-CZ 3.42Å; P590-Y596 HydrophobicContact CG-CD2 4.13Å
597	C	87.8	Confident	81.2	Confident	6 Å²	6	49.8 Å²	49.8	4%	0.041	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.5	138.5	-174.5	-59.1	0	0	0	0	113.3	S247 G559 W561 C585	S247-C597 WeakPolarHBondContact CB-O 3.2Å; S247-C597 PolarHBondContact OG-O 3.03Å; G559-C597 PolarHBondContact O-SG 2.86Å; W561-C597 HydrophobicContact CD2-CB 3.67Å; W561-C597 HydrophobicContact CE3-CB 4.08Å; W561-C597 HydrophobicContact CG-CB 4.16Å; W561-C597 HydrophobicContact CH2-CB 3.88Å; W561-C597 HydrophobicContact CZ2-CB 3.48Å; W561-C597 VanDerWaalsContact CZ2-CB 3.48Å; W561-C597 HydrophobicContact CZ3-CB 4.18Å; C585-C597 VanDerWaalsContact CA-SG 3.51Å; C585-C597 HydrophobicContact CB-CB 3.75Å; C585-C597 WeakPolarHBondContact CB-SG 3.47Å; C585-C597 WeakPolarHBondContact SG-CB 3.27Å; C585-C597 PolarHBondContact SG-N 2.99Å; C585-C597 CovalentContact SG-SG 2.03Å; C585-C597 PolarHBondContact SG-SG 3.25Å
598	L	87.5	Confident	81.6	Confident	85 Å²	85	50.2 Å²	50.2	45%	0.445	28%	0.28	S	S	.	.			trans	-104	145.5	171.7	-58.8	179.6	0	0	0	111.2	S247 E249 V294 W561	S247-L598 CarbonylContact O-C 3.58Å; S247-L598 WeakPolarHBondContact O-CA 3.43Å; E249-L598 HydrophobicContact CG-CD1 3.88Å; E249-L598 HydrophobicContact CG-CD2 3.89Å; V294-L598 HydrophobicContact CB-CD2 4.18Å; V294-L598 HydrophobicContact CG2-CD2 3.75Å; W561-L598 PolarHBondContact NE1-O 3.25Å
599	G	84.6	Confident	81.8	Confident	22 Å²	22	49 Å²	49	23%	0.227	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.9	-178.1	-178.2	0	0	0	0	0	114.4	S247 W561 R601	S247-G599 PolarHBondContact N-O 2.97Å; S247-G599 PolarHBondContact O-N 2.79Å; W561-G599 WeakPolarHBondContact CZ2-O 3.46Å; G599-R601 PolarHBondContact O-N 3.48Å
600	E	83.8	Confident	82.3	Confident	80 Å²	80	51.8 Å²	51.8	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	117.9	-176.3	-74.1	166.8	-167.1	0	0	111.6	K243 V246 W564 R583	K243-E600 IonicContact NZ-OE1 2.72Å; K243-E600 PolarHBondContact NZ-OE1 2.72Å; V246-E600 HydrophobicContact CG2-CG 3.67Å; W564-E600 HydrophobicContact CH2-CB 4.19Å; W564-E600 WeakPolarHBondContact CH2-O 3.35Å; W564-E600 HydrophobicContact CZ2-CB 4.39Å; R583-E600 VanDerWaalsContact CZ-O 3.24Å; R583-E600 PolarHBondContact NE-O 3.29Å; R583-E600 PolarHBondContact NH2-O 3.28Å
601	R	85.1	Confident	82.5	Confident	14 Å²	14	56.4 Å²	56.4	5%	0.053	31%	0.308	C	S	.	.	S	Bend	trans	-94.4	-32.6	176.8	56.6	163.8	158.6	-133	-8.4	113.4	S245 N293 D457 W561 W564 L582 R583 G599	S245-R601 WeakPolarHBondContact O-CG 3.42Å; S245-R601 PolarHBondContact O-N 3.01Å; N293-R601 PolarHBondContact OD1-NH1 3.44Å; N293-R601 PolarHBondContact OD1-NH2 3.32Å; D457-R601 VanDerWaalsContact CG-NH2 3.27Å; D457-R601 IonicContact OD1-CZ 3.89Å; D457-R601 IonicContact OD1-NE 3.47Å; D457-R601 IonicContact OD1-NH2 2.62Å; D457-R601 PolarHBondContact OD1-NH2 2.8Å; D457-R601 IonicContact OD2-CZ 3.54Å; D457-R601 IonicContact OD2-NE 2.77Å; D457-R601 PolarHBondContact OD2-NE 3.44Å; D457-R601 IonicContact OD2-NH2 3.51Å; W561-R601 HydrophobicContact CH2-CB 3.67Å; W561-R601 HydrophobicContact CZ2-CB 4.42Å; W561-R601 HydrophobicContact CZ3-CB 4.13Å; W564-R601 WeakPolarHBondContact CZ3-O 3.17Å; L582-R601 CarbonylContact C-O 3.45Å; L582-R601 WeakPolarHBondContact CA-O 3.36Å; L582-R601 WeakPolarHBondContact CD1-O 3.39Å; R583-R601 PolarHBondContact N-O 3.24Å; G599-R601 PolarHBondContact O-N 3.48Å
602	K	86.3	Confident	83.1	Confident	48 Å²	48	55.5 Å²	55.5	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.2	178.2	-166.1	-179	170.7	-168.7	0	108.4	S580 S581 L582 Y604	S580-K602 WeakPolarHBondContact OG-CE 3.49Å; S581-K602 CarbonylContact O-C 3.29Å; S581-K602 WeakPolarHBondContact O-CA 3.46Å; L582-K602 HydrophobicContact CD1-CB 3.82Å; L582-K602 HydrophobicContact CD1-CD 4.45Å; L582-K602 HydrophobicContact CD1-CG 4.05Å; K602-Y604 HydrophobicContact CD-CE1 4.46Å; K602-Y604 HydrophobicContact CD-CE2 4.26Å; K602-Y604 WeakPolarHBondContact CE-OH 3.32Å; K602-Y604 HydrophobicContact CG-CE2 4.26Å; K602-Y604 PolarHBondContact NZ-OH 3.1Å
603	R	88.1	Confident	84.3	Confident	80 Å²	80	59 Å²	59	30%	0.302	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.1	177.4	64.9	-180	179	164.5	3.8	110.5	W564 W567 S580 S581	W564-R603 VanDerWaalsContact CB-NH2 3.26Å; W564-R603 HydrophobicContact CD2-CG 4.27Å; W564-R603 HydrophobicContact CE3-CG 3.78Å; W564-R603 VanDerWaalsContact CG-CZ 3.47Å; W564-R603 HydrophobicContact CH2-CB 3.9Å; W564-R603 HydrophobicContact CH2-CG 3.9Å; W564-R603 HydrophobicContact CZ2-CB 4.47Å; W564-R603 HydrophobicContact CZ2-CG 4.37Å; W564-R603 HydrophobicContact CZ3-CB 4.01Å; W564-R603 HydrophobicContact CZ3-CG 3.59Å; W567-R603 HydrophobicContact CH2-CG 3.73Å; W567-R603 HydrophobicContact CZ2-CG 4.38Å; W567-R603 HydrophobicContact CZ3-CG 4.14Å; S580-R603 CarbonylContact C-O 3.54Å; S580-R603 VanDerWaalsContact CA-O 3.24Å; S580-R603 WeakPolarHBondContact CA-O 3.41Å; S580-R603 WeakPolarHBondContact CB-O 3.42Å; S581-R603 PolarHBondContact N-O 3.02Å; S581-R603 PolarHBondContact O-N 3.27Å; S581-R603 PolarHBondContact OG-NE 3.42Å; S581-R603 PolarHBondContact OG-NH2 2.92Å
604	Y	90.2	Very high	85.1	Confident	48 Å²	48	65.3 Å²	65.3	19%	0.188	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.7	-168	-67.3	-83.3	0	0	0	111.8	V578 S579 K602 D671 I684 N685	V578-Y604 HydrophobicContact CG1-CD1 3.61Å; V578-Y604 HydrophobicContact CG1-CE1 4.37Å; V578-Y604 HydrophobicContact CG1-CG 4.46Å; S579-Y604 WeakPolarHBondContact O-CA 3.45Å; K602-Y604 HydrophobicContact CD-CE1 4.46Å; K602-Y604 HydrophobicContact CD-CE2 4.26Å; K602-Y604 WeakPolarHBondContact CE-OH 3.32Å; K602-Y604 HydrophobicContact CG-CE2 4.26Å; K602-Y604 PolarHBondContact NZ-OH 3.1Å; Y604-D671 WeakPolarHBondContact CE1-OD2 3.32Å; Y604-I684 HydrophobicContact CD1-CG2 3.6Å; Y604-I684 HydrophobicContact CD2-CG2 3.94Å; Y604-I684 HydrophobicContact CE1-CG2 3.36Å; Y604-I684 HydrophobicContact CE2-CG2 3.75Å; Y604-I684 HydrophobicContact CG-CG2 3.84Å; Y604-I684 VanDerWaalsContact CZ-CG2 3.41Å; Y604-N685 WeakPolarHBondContact OH-CB 3.39Å; Y604-N685 PolarHBondContact OH-OD1 3.21Å
605	R	89.6	Confident	85.5	Confident	114 Å²	114	69.2 Å²	69.2	43%	0.43	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	154	170.7	66.9	179.1	-179.9	158.4	3.7	111.1	W567 V578 S579	W567-R605 VanDerWaalsContact CB-NH2 3.3Å; W567-R605 HydrophobicContact CD2-CG 4.17Å; W567-R605 VanDerWaalsContact CD2-NE 3.3Å; W567-R605 HydrophobicContact CE3-CG 3.74Å; W567-R605 VanDerWaalsContact CG-CZ 3.46Å; W567-R605 HydrophobicContact CH2-CB 3.97Å; W567-R605 HydrophobicContact CH2-CG 3.95Å; W567-R605 HydrophobicContact CZ2-CG 4.36Å; W567-R605 HydrophobicContact CZ3-CB 4.04Å; W567-R605 HydrophobicContact CZ3-CG 3.63Å; V578-R605 WeakPolarHBondContact CA-O 3.39Å; S579-R605 PolarHBondContact N-O 3.33Å; S579-R605 PolarHBondContact O-N 2.93Å
606	S	91.6	Very high	85.9	Confident	24 Å²	24	65.9 Å²	65.9	17%	0.168	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	154.3	164.8	-69.9	0	0	0	0	111.6	G577 N695 I696 L697	G577-S606 CarbonylContact O-C 3.59Å; G577-S606 WeakPolarHBondContact O-CA 3.39Å; S606-N695 PolarHBondContact OG-O 3.46Å; S606-I696 WeakPolarHBondContact OG-CA 3.49Å; S606-L697 PolarHBondContact OG-N 3.42Å
607	C	92.5	Very high	85.7	Confident	21 Å²	21	70.1 Å²	70.1	14%	0.142	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158.9	171.8	46.6	0	0	0	0	109.2	C570 G577 S579 T609	C570-C607 VanDerWaalsContact CA-SG 3.54Å; C570-C607 HydrophobicContact CB-CB 3.88Å; C570-C607 WeakPolarHBondContact CB-SG 3.41Å; C570-C607 VanDerWaalsContact SG-C 3.57Å; C570-C607 WeakPolarHBondContact SG-CB 3.45Å; C570-C607 CovalentContact SG-SG 2.03Å; C570-C607 PolarHBondContact SG-SG 3.02Å; G577-C607 CarbonylContact C-O 3.51Å; G577-C607 VanDerWaalsContact C-SG 3.6Å; G577-C607 WeakPolarHBondContact CA-O 3.47Å; G577-C607 PolarHBondContact N-O 3.06Å; G577-C607 PolarHBondContact O-N 3.13Å; S579-C607 VanDerWaalsContact CB-SG 3.57Å; S579-C607 PolarHBondContact N-SG 3.02Å; S579-C607 VanDerWaalsContact N-SG 3.41Å; C607-T609 VanDerWaalsContact C-N 3.34Å; C607-T609 PolarHBondContact O-N 2.76Å
608	N	90.9	Very high	85.6	Confident	71 Å²	71	73 Å²	73	38%	0.38	41%	0.405	S	S	.	.			trans	49.6	53.7	178.7	-55.8	-15.2	0	0	0	112.3	C570 R572 C574 G575 G576 D610	C570-N608 WeakPolarHBondContact CB-ND2 3.5Å; R572-N608 PolarHBondContact O-ND2 2.95Å; C574-N608 CarbonylContact C-O 3.57Å; G575-N608 PolarHBondContact N-O 3.09Å; G576-N608 PolarHBondContact N-O 3.5Å; N608-D610 VanDerWaalsContact C-N 3.31Å
609	T	87.5	Confident	85.8	Confident	47 Å²	47	70.9 Å²	70.9	29%	0.288	39%	0.392	S	S	.	.			trans	-75.2	-17	-173.7	41.4	0	0	0	0	113.8	C607 N695 I696	C607-T609 VanDerWaalsContact C-N 3.34Å; C607-T609 PolarHBondContact O-N 2.76Å; T609-N695 HydrophobicContact CG2-CB 4Å; T609-N695 PolarHBondContact O-ND2 3.15Å; T609-I696 HydrophobicContact CG2-CG1 4.48Å
610	D	86	Confident	86.1	Confident	116 Å²	116	70.4 Å²	70.4	62%	0.62	38%	0.384	S	S	*	.	S	Bend	trans	-61	138.8	-180	-51	-70.3	0	0	0	111.7	G575 N608	G575-D610 WeakPolarHBondContact CA-O 3.06Å; G575-D610 PolarHBondContact N-O 3.03Å; N608-D610 VanDerWaalsContact C-N 3.31Å
611	P	83.4	Confident	86.4	Confident	112 Å²	112	68.8 Å²	68.8	73%	0.727	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-54.2	144.2	-178.1	-27.8	35.5	0	0	0	114
612	C	84.6	Confident	86.7	Confident	36 Å²	36	72.3 Å²	72.3	24%	0.243	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-69.1	151.9	172.1	-70.5	0	0	0	0	111.7	C574 S616	C574-C612 HydrophobicContact CB-CB 3.97Å; C574-C612 WeakPolarHBondContact CB-SG 3.32Å; C574-C612 PolarHBondContact O-SG 3.16Å; C574-C612 WeakPolarHBondContact SG-CA 3.08Å; C574-C612 WeakPolarHBondContact SG-CB 3.08Å; C574-C612 CovalentContact SG-SG 2.05Å; C574-C612 PolarHBondContact SG-SG 3.47Å; C612-S616 WeakPolarHBondContact CB-OG 3.47Å
613	P	86.9	Confident	87	Confident	96 Å²	96	70.5 Å²	70.5	62%	0.623	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-56.1	142.8	176.5	-25.8	34.9	0	0	0	112.9	G615 S616	P613-G615 PolarHBondContact O-N 2.84Å; P613-S616 VanDerWaalsContact O-CB 3.27Å; P613-S616 WeakPolarHBondContact O-CB 3.32Å; P613-S616 PolarHBondContact O-N 2.93Å; P613-S616 PolarHBondContact O-OG 2.83Å
614	L	78.3	Confident	87.3	Confident	184 Å²	184	66.7 Å²	66.7	96%	0.963	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	131.3	178.2	-64.5	174.3	0	0	0	111.1
615	G	73.9	Confident	87.4	Confident	85 Å²	85	65 Å²	65	88%	0.876	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	6.7	-175.9	0	0	0	0	0	115.5	P613 R617	P613-G615 PolarHBondContact O-N 2.84Å; G615-R617 PolarHBondContact O-N 2.9Å
616	S	81.3	Confident	87.5	Confident	60 Å²	60	64.8 Å²	64.8	42%	0.42	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-63.8	123.6	173.3	68.4	0	0	0	0	111.8	C612 P613	C612-S616 WeakPolarHBondContact CB-OG 3.47Å; P613-S616 VanDerWaalsContact O-CB 3.27Å; P613-S616 WeakPolarHBondContact O-CB 3.32Å; P613-S616 PolarHBondContact O-N 2.93Å; P613-S616 PolarHBondContact O-OG 2.83Å
617	R	80.9	Confident	87.4	Confident	123 Å²	123	65.4 Å²	65.4	46%	0.464	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-50.3	143.4	170.2	-75.1	-175.7	78.3	-165.5	6.9	111.5	G615 E621 K622	G615-R617 PolarHBondContact O-N 2.9Å; R617-E621 WeakPolarHBondContact CB-OE2 3.3Å; R617-E621 IonicContact CZ-OE1 2.74Å; R617-E621 IonicContact NE-OE1 3.64Å; R617-E621 PolarHBondContact NE-OE1 3.17Å; R617-E621 IonicContact NE-OE2 3.07Å; R617-E621 PolarHBondContact NE-OE2 3.35Å; R617-E621 VanDerWaalsContact NH2-CD 3.35Å; R617-E621 IonicContact NH2-OE1 2.91Å; R617-E621 PolarHBondContact NH2-OE1 2.89Å; R617-K622 VanDerWaalsContact O-CE 3.3Å; R617-K622 WeakPolarHBondContact O-CE 3.36Å; R617-K622 PolarHBondContact O-NZ 3.13Å
618	D	85.4	Confident	87.3	Confident	67 Å²	67	66 Å²	66	36%	0.358	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-62.7	153.3	-178.3	161.2	56	0	0	0	111.8	R620 E621 K622	D618-R620 PolarHBondContact OD1-N 2.02Å; D618-R620 WeakPolarHBondContact OD2-CA 3.38Å; D618-R620 VanDerWaalsContact OD2-CB 3.22Å; D618-R620 WeakPolarHBondContact OD2-CB 3.23Å; D618-R620 PolarHBondContact OD2-N 3.07Å; D618-E621 HydrophobicContact CB-CB 3.88Å; D618-E621 PolarHBondContact N-OE2 2.88Å; D618-E621 PolarHBondContact OD2-N 2.96Å; D618-K622 WeakPolarHBondContact O-CD 3.48Å; D618-K622 WeakPolarHBondContact O-CG 3.22Å; D618-K622 PolarHBondContact O-N 3.4Å; D618-K622 VanDerWaalsContact O-N 3.15Å
619	F	90.2	Very high	87	Confident	40 Å²	40	69.3 Å²	69.3	18%	0.175	39%	0.392	C	S	.	.	H	α-helix	trans	-75.1	-29.2	-178.9	-167.3	-119.7	0	0	0	113.2	S571 R572 Q623 I670 T673	S571-F619 WeakPolarHBondContact O-CZ 3.41Å; R572-F619 HydrophobicContact CG-CD1 3.91Å; R572-F619 HydrophobicContact CG-CD2 4.13Å; R572-F619 HydrophobicContact CG-CE1 3.64Å; R572-F619 HydrophobicContact CG-CE2 3.89Å; R572-F619 HydrophobicContact CG-CG 4.15Å; R572-F619 HydrophobicContact CG-CZ 3.63Å; F619-Q623 WeakPolarHBondContact O-CG 3.44Å; F619-Q623 PolarHBondContact O-N 3.38Å; F619-Q623 PolarHBondContact O-NE2 3.19Å; F619-I670 HydrophobicContact CE1-CB 3.97Å; F619-I670 HydrophobicContact CE1-CG2 3.95Å; F619-I670 HydrophobicContact CZ-CB 4.21Å; F619-I670 HydrophobicContact CZ-CD1 4.32Å; F619-I670 HydrophobicContact CZ-CG2 3.93Å; F619-T673 HydrophobicContact CD1-CG2 4.3Å; F619-T673 VanDerWaalsContact CD1-OG1 3.28Å; F619-T673 WeakPolarHBondContact CD1-OG1 3.28Å; F619-T673 WeakPolarHBondContact CE1-OG1 3.28Å
620	R	91.1	Very high	86.7	Confident	13 Å²	13	70.3 Å²	70.3	5%	0.049	39%	0.394	C	S	.	.	H	α-helix	trans	-77.8	-35.8	171.7	-169.3	177.3	-68.3	-158.8	-11.3	111.5	D618 K622 Q623 C624 P641 P649 L652 T673 Q674 C675	D618-R620 PolarHBondContact OD1-N 2.02Å; D618-R620 WeakPolarHBondContact OD2-CA 3.38Å; D618-R620 VanDerWaalsContact OD2-CB 3.22Å; D618-R620 WeakPolarHBondContact OD2-CB 3.23Å; D618-R620 PolarHBondContact OD2-N 3.07Å; R620-K622 VanDerWaalsContact C-N 3.34Å; R620-K622 PolarHBondContact O-N 2.74Å; R620-Q623 PolarHBondContact O-N 3.27Å; R620-C624 PolarHBondContact O-N 2.95Å; R620-P641 HydrophobicContact CB-CG 4.28Å; R620-P641 HydrophobicContact CG-CB 4.04Å; R620-P641 HydrophobicContact CG-CG 4.1Å; R620-P649 VanDerWaalsContact CZ-O 3.31Å; R620-P649 PolarHBondContact NH1-O 2.6Å; R620-P649 VanDerWaalsContact NH1-O 3.07Å; R620-P649 PolarHBondContact NH2-O 3.03Å; R620-L652 HydrophobicContact CG-CD1 4.04Å; R620-T673 HydrophobicContact CB-CG2 3.79Å; R620-T673 HydrophobicContact CG-CG2 4.34Å; R620-Q674 PolarHBondContact NH2-O 3.08Å; R620-C675 PolarHBondContact NH1-O 2.88Å; R620-C675 PolarHBondContact NH2-O 2.81Å; R620-C675 VanDerWaalsContact NH2-O 3.12Å
621	E	90.8	Very high	86.5	Confident	46 Å²	46	66.3 Å²	66.3	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-57.2	-45.5	173	-164.2	-155.2	165.3	0	0	111.8	R617 D618 Q623 C624 A625 P641	R617-E621 WeakPolarHBondContact CB-OE2 3.3Å; R617-E621 IonicContact CZ-OE1 2.74Å; R617-E621 IonicContact NE-OE1 3.64Å; R617-E621 PolarHBondContact NE-OE1 3.17Å; R617-E621 IonicContact NE-OE2 3.07Å; R617-E621 PolarHBondContact NE-OE2 3.35Å; R617-E621 VanDerWaalsContact NH2-CD 3.35Å; R617-E621 IonicContact NH2-OE1 2.91Å; R617-E621 PolarHBondContact NH2-OE1 2.89Å; D618-E621 HydrophobicContact CB-CB 3.88Å; D618-E621 PolarHBondContact N-OE2 2.88Å; D618-E621 PolarHBondContact OD2-N 2.96Å; E621-Q623 PolarHBondContact O-N 2.88Å; E621-C624 PolarHBondContact O-N 3.16Å; E621-A625 WeakPolarHBondContact O-CB 3.29Å; E621-A625 PolarHBondContact O-N 2.84Å; E621-P641 VanDerWaalsContact CA-CG 3.48Å; E621-P641 HydrophobicContact CB-CG 4.04Å
622	K	91.3	Very high	86.2	Confident	88 Å²	88	61.2 Å²	61.2	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-56.9	-47.8	172.9	-72.9	159.7	-178.7	150.4	0	112.3	R617 D618 R620 C624 A625 D626	R617-K622 VanDerWaalsContact O-CE 3.3Å; R617-K622 WeakPolarHBondContact O-CE 3.36Å; R617-K622 PolarHBondContact O-NZ 3.13Å; D618-K622 WeakPolarHBondContact O-CD 3.48Å; D618-K622 WeakPolarHBondContact O-CG 3.22Å; D618-K622 PolarHBondContact O-N 3.4Å; D618-K622 VanDerWaalsContact O-N 3.15Å; R620-K622 VanDerWaalsContact C-N 3.34Å; R620-K622 PolarHBondContact O-N 2.74Å; K622-C624 VanDerWaalsContact C-N 3.3Å; K622-C624 PolarHBondContact O-N 3.17Å; K622-A625 WeakPolarHBondContact O-CB 3.07Å; K622-A625 PolarHBondContact O-N 3.05Å; K622-D626 PolarHBondContact O-N 3.29Å
623	Q	93.4	Very high	86.1	Confident	9 Å²	9	65.4 Å²	65.4	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-63.1	-31.4	179.4	-72.7	166.7	74	0	0	113.4	F619 R620 E621 F627 L652 I670 T673	F619-Q623 WeakPolarHBondContact O-CG 3.44Å; F619-Q623 PolarHBondContact O-N 3.38Å; F619-Q623 PolarHBondContact O-NE2 3.19Å; R620-Q623 PolarHBondContact O-N 3.27Å; E621-Q623 PolarHBondContact O-N 2.88Å; Q623-F627 WeakPolarHBondContact O-CD2 3.36Å; Q623-F627 WeakPolarHBondContact O-CE2 3.29Å; Q623-L652 HydrophobicContact CB-CD1 3.73Å; Q623-L652 HydrophobicContact CB-CD2 3.93Å; Q623-I670 HydrophobicContact CG-CD1 3.85Å; Q623-I670 HydrophobicContact CG-CG1 4.28Å; Q623-T673 PolarHBondContact NE2-OG1 3.2Å
624	C	92.8	Very high	85.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-71	-44.3	169.3	-76.8	0	0	0	0	111.5	R620 E621 K622 D626 F627 W639 C654	R620-C624 PolarHBondContact O-N 2.95Å; E621-C624 PolarHBondContact O-N 3.16Å; K622-C624 VanDerWaalsContact C-N 3.3Å; K622-C624 PolarHBondContact O-N 3.17Å; C624-D626 VanDerWaalsContact C-N 3.26Å; C624-D626 PolarHBondContact O-N 3.41Å; C624-F627 WeakPolarHBondContact O-CB 3.12Å; C624-F627 PolarHBondContact O-N 2.96Å; C624-W639 HydrophobicContact CB-CB 3.9Å; C624-W639 WeakPolarHBondContact O-CB 3.13Å; C624-C654 WeakPolarHBondContact CA-SG 3.33Å; C624-C654 HydrophobicContact CB-CB 3.97Å; C624-C654 WeakPolarHBondContact CB-SG 3.5Å; C624-C654 WeakPolarHBondContact SG-CB 3.41Å; C624-C654 CovalentContact SG-SG 2.05Å; C624-C654 PolarHBondContact SG-SG 3.12Å
625	A	92.8	Very high	86	Confident	13 Å²	13	61 Å²	61	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-25.6	-178	0	0	0	0	0	114.1	E621 K622 F627 D628	E621-A625 WeakPolarHBondContact O-CB 3.29Å; E621-A625 PolarHBondContact O-N 2.84Å; K622-A625 WeakPolarHBondContact O-CB 3.07Å; K622-A625 PolarHBondContact O-N 3.05Å; A625-F627 PolarHBondContact O-N 3.34Å; A625-D628 VanDerWaalsContact CA-OD2 3.28Å; A625-D628 WeakPolarHBondContact CA-OD2 3.08Å; A625-D628 WeakPolarHBondContact CB-OD2 3.39Å; A625-D628 WeakPolarHBondContact O-CB 3.1Å; A625-D628 VanDerWaalsContact O-CG 3.22Å; A625-D628 PolarHBondContact O-N 2.97Å
626	D	91.6	Very high	86.7	Confident	109 Å²	109	64.3 Å²	64.3	58%	0.583	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.9	170.8	-68.3	-37.7	0	0	0	112.8	K622 C624	K622-D626 PolarHBondContact O-N 3.29Å; C624-D626 VanDerWaalsContact C-N 3.26Å; C624-D626 PolarHBondContact O-N 3.41Å
627	F	89.6	Confident	87.1	Confident	38 Å²	38	62.9 Å²	62.9	17%	0.167	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.8	175.1	-62.4	-76.5	0	0	0	115.1	Q623 C624 A625 N629 M630 W639 L652 R665	Q623-F627 WeakPolarHBondContact O-CD2 3.36Å; Q623-F627 WeakPolarHBondContact O-CE2 3.29Å; C624-F627 WeakPolarHBondContact O-CB 3.12Å; C624-F627 PolarHBondContact O-N 2.96Å; A625-F627 PolarHBondContact O-N 3.34Å; F627-N629 PolarHBondContact O-N 2.98Å; F627-M630 HydrophobicContact CD1-CB 4.48Å; F627-M630 HydrophobicContact CD1-CG 4.38Å; F627-M630 HydrophobicContact CD1-SD 3.72Å; F627-M630 HydrophobicContact CE1-SD 4.07Å; F627-M630 PolarHBondContact O-N 3.45Å; F627-W639 VanDerWaalsContact C-CD1 3.49Å; F627-W639 HydrophobicContact CB-CG 4.49Å; F627-W639 PolarHBondContact O-NE1 3.17Å; F627-L652 HydrophobicContact CE2-CD2 3.74Å; F627-R665 HydrophobicContact CD2-CB 3.82Å; F627-R665 HydrophobicContact CD2-CG 4.08Å; F627-R665 HydrophobicContact CE2-CB 3.6Å; F627-R665 HydrophobicContact CE2-CG 4.37Å; F627-R665 HydrophobicContact CG-CB 4.4Å; F627-R665 HydrophobicContact CG-CG 4.45Å; F627-R665 HydrophobicContact CZ-CB 3.97Å
628	D	90	Very high	87.6	Confident	32 Å²	32	60.6 Å²	60.6	17%	0.171	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-37.7	-179.7	-64.5	-24.5	0	0	0	111.4	A625 M630 Y637 N638 W639	A625-D628 VanDerWaalsContact CA-OD2 3.28Å; A625-D628 WeakPolarHBondContact CA-OD2 3.08Å; A625-D628 WeakPolarHBondContact CB-OD2 3.39Å; A625-D628 WeakPolarHBondContact O-CB 3.1Å; A625-D628 VanDerWaalsContact O-CG 3.22Å; A625-D628 PolarHBondContact O-N 2.97Å; D628-M630 VanDerWaalsContact C-N 3.3Å; D628-M630 PolarHBondContact O-N 2.66Å; D628-Y637 WeakPolarHBondContact CA-O 3.24Å; D628-N638 WeakPolarHBondContact OD1-CA 3.5Å; D628-N638 PolarHBondContact OD2-OD1 2.9Å; D628-W639 PolarHBondContact OD1-N 2.67Å
629	N	85.4	Confident	87.9	Confident	141 Å²	141	57.5 Å²	57.5	75%	0.754	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	2.8	177.9	-64.2	-73.5	0	0	0	113.4	F627	F627-N629 PolarHBondContact O-N 2.98Å
630	M	81.5	Confident	87.9	Confident	69 Å²	69	59.4 Å²	59.4	34%	0.34	29%	0.293	S	S	.	.	S	Bend	trans	-104.5	127.2	175	-64.2	-160.5	-171.8	0	0	110.8	W220 F627 D628	W220-M630 HydrophobicContact CB-SD 4.39Å; F627-M630 HydrophobicContact CD1-CB 4.48Å; F627-M630 HydrophobicContact CD1-CG 4.38Å; F627-M630 HydrophobicContact CD1-SD 3.72Å; F627-M630 HydrophobicContact CE1-SD 4.07Å; F627-M630 PolarHBondContact O-N 3.45Å; D628-M630 VanDerWaalsContact C-N 3.3Å; D628-M630 PolarHBondContact O-N 2.66Å
631	P	81.4	Confident	87.9	Confident	32 Å²	32	60.8 Å²	60.8	21%	0.208	30%	0.303	C	S	.	.			trans	-70.3	143.3	180	29.2	-34	0	0	0	111.8	L221 K635 Y636	L221-P631 HydrophobicContact CD1-CG 4.22Å; L221-P631 WeakPolarHBondContact CD2-O 3.33Å; L221-P631 WeakPolarHBondContact CG-O 3.27Å; P631-K635 CarbonylContact C-O 3.47Å; P631-K635 VanDerWaalsContact CA-O 3.3Å; P631-K635 WeakPolarHBondContact CA-O 3.41Å; P631-Y636 HydrophobicContact CB-CD1 4.42Å; P631-Y636 HydrophobicContact CB-CE1 3.99Å; P631-Y636 HydrophobicContact CG-CE1 4.31Å
632	F	77.7	Confident	87.8	Confident	5 Å²	5	61.4 Å²	61.4	2%	0.022	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-129.8	130.9	174.3	-172.5	-103.4	0	0	0	109.4	D223 G634 K635 Y637 W639 F661 T663	D223-F632 HydrophobicContact CB-CE1 4.32Å; D223-F632 HydrophobicContact CB-CE2 3.98Å; D223-F632 HydrophobicContact CB-CZ 3.57Å; D223-F632 VanDerWaalsContact CG-CZ 3.48Å; D223-F632 WeakPolarHBondContact OD2-CE1 3.16Å; D223-F632 WeakPolarHBondContact OD2-CZ 3.46Å; F632-G634 PolarHBondContact O-N 3.09Å; F632-K635 PolarHBondContact N-O 2.79Å; F632-K635 PolarHBondContact O-N 3.32Å; F632-K635 VanDerWaalsContact O-O 3.07Å; F632-Y637 HydrophobicContact CB-CD2 4.16Å; F632-Y637 HydrophobicContact CB-CE2 4.27Å; F632-Y637 HydrophobicContact CD1-CE2 4.33Å; F632-Y637 WeakPolarHBondContact O-CE2 3.3Å; F632-W639 HydrophobicContact CB-CH2 4.36Å; F632-W639 HydrophobicContact CB-CZ2 3.81Å; F632-W639 AromaticContact CD1-CH2 3.88Å; F632-W639 HydrophobicContact CD1-CH2 3.88Å; F632-W639 HydrophobicContact CD1-CZ2 4.2Å; F632-W639 HydrophobicContact CE1-CH2 4.27Å; F632-W639 HydrophobicContact CG-CH2 4.05Å; F632-W639 AromaticContact CG-CZ2 3.97Å; F632-W639 HydrophobicContact CG-CZ2 3.97Å; F632-F661 HydrophobicContact CD1-CE2 4.14Å; F632-F661 AromaticContact CE1-CE2 3.79Å; F632-F661 HydrophobicContact CE1-CE2 3.79Å; F632-T663 HydrophobicContact CE1-CG2 4.34Å; F632-T663 HydrophobicContact CE2-CG2 4.01Å; F632-T663 HydrophobicContact CZ-CG2 3.78Å
633	R	81	Confident	87.3	Confident	124 Å²	124	61.1 Å²	61.1	47%	0.468	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.4	35.6	-164.7	-74.8	-178.1	164.5	154.3	-4.2	114.2	N222 D223 S225	N222-R633 HydrophobicContact CB-CG 4.37Å; N222-R633 WeakPolarHBondContact OD1-CA 3.39Å; N222-R633 WeakPolarHBondContact OD1-CG 3.37Å; N222-R633 PolarHBondContact OD1-N 3.35Å; D223-R633 HydrophobicContact CB-CG 4.34Å; D223-R633 VanDerWaalsContact CG-NH2 3.28Å; D223-R633 PolarHBondContact O-NH2 2.83Å; D223-R633 IonicContact OD1-CZ 3.26Å; D223-R633 VanDerWaalsContact OD1-CZ 3.23Å; D223-R633 IonicContact OD1-NE 2.67Å; D223-R633 IonicContact OD1-NH1 3.84Å; D223-R633 PolarHBondContact OD1-NH1 3.14Å; D223-R633 VanDerWaalsContact OD1-NH1 3.17Å; D223-R633 IonicContact OD1-NH2 2.77Å; D223-R633 PolarHBondContact OD1-NH2 2.94Å; D223-R633 VanDerWaalsContact OD1-NH2 3.13Å; D223-R633 VanDerWaalsContact OD2-CD 3.24Å; D223-R633 WeakPolarHBondContact OD2-CD 3.18Å; D223-R633 IonicContact OD2-CZ 2.7Å; D223-R633 IonicContact OD2-NE 3.62Å; D223-R633 PolarHBondContact OD2-NE 2.89Å; D223-R633 VanDerWaalsContact OD2-NE 3.07Å; D223-R633 IonicContact OD2-NH1 3.86Å; D223-R633 PolarHBondContact OD2-NH1 3.28Å; D223-R633 IonicContact OD2-NH2 2.6Å; S225-R633 PolarHBondContact OG-NH1 3.46Å; S225-R633 PolarHBondContact OG-NH2 3.38Å
634	G	80.3	Confident	86.5	Confident	58 Å²	58	62.1 Å²	62.1	60%	0.598	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	8.9	178.8	0	0	0	0	0	116.1	L221 F632	L221-G634 VanDerWaalsContact CD2-N 3.31Å; F632-G634 PolarHBondContact O-N 3.09Å
635	K	83.1	Confident	85.5	Confident	128 Å²	128	64.3 Å²	64.3	56%	0.557	35%	0.345	S	S	*	.	B	Isolated β-bridge	trans	-126.8	158.7	-179.1	-64.6	-179.9	179.7	-179.3	0	111.3	P631 F632 Y637	P631-K635 CarbonylContact C-O 3.47Å; P631-K635 VanDerWaalsContact CA-O 3.3Å; P631-K635 WeakPolarHBondContact CA-O 3.41Å; F632-K635 PolarHBondContact N-O 2.79Å; F632-K635 PolarHBondContact O-N 3.32Å; F632-K635 VanDerWaalsContact O-O 3.07Å; K635-Y637 HydrophobicContact CB-CD2 4.47Å; K635-Y637 HydrophobicContact CB-CE2 3.73Å
636	Y	88.7	Confident	84.6	Confident	156 Å²	156	67.5 Å²	67.5	61%	0.612	38%	0.379	S	S	*	.			trans	-96	149.4	171.7	-56.9	-85.4	0	0	0	109.8	P631	P631-Y636 HydrophobicContact CB-CD1 4.42Å; P631-Y636 HydrophobicContact CB-CE1 3.99Å; P631-Y636 HydrophobicContact CG-CE1 4.31Å
637	Y	89.6	Confident	84.1	Confident	29 Å²	29	63.4 Å²	63.4	11%	0.114	36%	0.358	C	S	.	.			trans	-142.2	149.5	-177.3	-65.7	-87	0	0	0	108.5	D628 F632 K635 W639 A656 Y659 F661	D628-Y637 WeakPolarHBondContact CA-O 3.24Å; F632-Y637 HydrophobicContact CB-CD2 4.16Å; F632-Y637 HydrophobicContact CB-CE2 4.27Å; F632-Y637 HydrophobicContact CD1-CE2 4.33Å; F632-Y637 WeakPolarHBondContact O-CE2 3.3Å; K635-Y637 HydrophobicContact CB-CD2 4.47Å; K635-Y637 HydrophobicContact CB-CE2 3.73Å; Y637-W639 HydrophobicContact CD2-CZ2 4.15Å; Y637-W639 HydrophobicContact CG-CZ2 4.38Å; Y637-A656 HydrophobicContact CD1-CB 3.79Å; Y637-A656 HydrophobicContact CE1-CB 4.46Å; Y637-A656 HydrophobicContact CG-CB 4.16Å; Y637-Y659 AromaticContact CD1-CD2 3.68Å; Y637-Y659 HydrophobicContact CD1-CD2 3.68Å; Y637-Y659 AromaticContact CD1-CE2 3.6Å; Y637-Y659 HydrophobicContact CD1-CE2 3.6Å; Y637-Y659 HydrophobicContact CE1-CD1 4.49Å; Y637-Y659 AromaticContact CE1-CD2 3.72Å; Y637-Y659 HydrophobicContact CE1-CD2 3.72Å; Y637-Y659 HydrophobicContact CE1-CE1 4.35Å; Y637-Y659 AromaticContact CE1-CE2 3.57Å; Y637-Y659 HydrophobicContact CE1-CE2 3.57Å; Y637-Y659 HydrophobicContact CE1-CG 4.2Å; Y637-Y659 AromaticContact CE1-CZ 3.91Å; Y637-F661 HydrophobicContact CD1-CZ 4.21Å; Y637-F661 AromaticContact CE1-CE1 3.98Å; Y637-F661 HydrophobicContact CE1-CE1 3.98Å; Y637-F661 AromaticContact CE1-CZ 3.79Å; Y637-F661 HydrophobicContact CE1-CZ 3.79Å; Y637-F661 HydrophobicContact CE2-CZ 4.33Å; Y637-F661 AromaticContact CZ-CZ 3.86Å
638	N	92	Very high	83.7	Confident	75 Å²	75	68.7 Å²	68.7	40%	0.401	38%	0.381	S	S	.	.			trans	-88.1	122.9	168.1	-164.4	60.4	0	0	0	107.9	D628 E657	D628-N638 WeakPolarHBondContact OD1-CA 3.5Å; D628-N638 PolarHBondContact OD2-OD1 2.9Å; N638-E657 HydrophobicContact CB-CB 4.28Å; N638-E657 PolarHBondContact ND2-OE2 3.42Å; N638-E657 WeakPolarHBondContact O-CB 3.44Å; N638-E657 PolarHBondContact O-N 2.62Å
639	W	92.1	Very high	83.6	Confident	2 Å²	2	70 Å²	70	1%	0.008	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.4	-170.3	-64.7	102.2	0	0	0	112.2	C624 F627 D628 F632 Y637 C654 L655 A656 F661 T663	C624-W639 HydrophobicContact CB-CB 3.9Å; C624-W639 WeakPolarHBondContact O-CB 3.13Å; F627-W639 VanDerWaalsContact C-CD1 3.49Å; F627-W639 HydrophobicContact CB-CG 4.49Å; F627-W639 PolarHBondContact O-NE1 3.17Å; D628-W639 PolarHBondContact OD1-N 2.67Å; F632-W639 HydrophobicContact CB-CH2 4.36Å; F632-W639 HydrophobicContact CB-CZ2 3.81Å; F632-W639 AromaticContact CD1-CH2 3.88Å; F632-W639 HydrophobicContact CD1-CH2 3.88Å; F632-W639 HydrophobicContact CD1-CZ2 4.2Å; F632-W639 HydrophobicContact CE1-CH2 4.27Å; F632-W639 HydrophobicContact CG-CH2 4.05Å; F632-W639 AromaticContact CG-CZ2 3.97Å; F632-W639 HydrophobicContact CG-CZ2 3.97Å; Y637-W639 HydrophobicContact CD2-CZ2 4.15Å; Y637-W639 HydrophobicContact CG-CZ2 4.38Å; W639-C654 HydrophobicContact CB-CB 4.08Å; W639-C654 HydrophobicContact CD2-CB 4.3Å; W639-C654 HydrophobicContact CE3-CB 3.76Å; W639-C654 HydrophobicContact CG-CB 4.47Å; W639-L655 WeakPolarHBondContact CA-O 3.27Å; W639-A656 HydrophobicContact CE3-CB 4.23Å; W639-A656 HydrophobicContact CH2-CB 4.41Å; W639-A656 HydrophobicContact CZ3-CB 3.91Å; W639-F661 HydrophobicContact CH2-CE2 4.14Å; W639-F661 HydrophobicContact CZ3-CE2 4.35Å; W639-T663 HydrophobicContact CH2-CG2 3.76Å; W639-T663 HydrophobicContact CZ3-CG2 3.78Å
640	K	90.4	Very high	83.8	Confident	81 Å²	81	63.6 Å²	63.6	35%	0.352	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.1	175.1	-73.1	-176.8	168.9	176.9	0	111.2	C654 L655 E657	K640-C654 CarbonylContact O-C 3.59Å; K640-C654 VanDerWaalsContact O-CA 3.28Å; K640-C654 WeakPolarHBondContact O-CA 3.46Å; K640-L655 PolarHBondContact N-O 3.33Å; K640-L655 PolarHBondContact O-N 2.89Å; K640-E657 WeakPolarHBondContact CE-OE1 3.33Å; K640-E657 WeakPolarHBondContact CE-OE2 3.35Å; K640-E657 VanDerWaalsContact NZ-CD 3.27Å; K640-E657 IonicContact NZ-OE1 2.67Å; K640-E657 PolarHBondContact NZ-OE1 2.71Å; K640-E657 IonicContact NZ-OE2 3.21Å; K640-E657 PolarHBondContact NZ-OE2 2.82Å
641	P	90.4	Very high	84.1	Confident	42 Å²	42	60.4 Å²	60.4	27%	0.273	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	140.5	178.1	-27.5	36.8	0	0	0	112.9	R620 E621	R620-P641 HydrophobicContact CB-CG 4.28Å; R620-P641 HydrophobicContact CG-CB 4.04Å; R620-P641 HydrophobicContact CG-CG 4.1Å; E621-P641 VanDerWaalsContact CA-CG 3.48Å; E621-P641 HydrophobicContact CB-CG 4.04Å
642	Y	88.8	Confident	84.6	Confident	59 Å²	59	59.2 Å²	59.2	23%	0.231	33%	0.334	C	S	.	.			trans	-122.1	122.6	173.1	-172.9	-99.4	0	0	0	110.7	G644 V647 N653 L655 Y662	Y642-G644 WeakPolarHBondContact CE1-O 3.46Å; Y642-V647 HydrophobicContact CD1-CG1 3.98Å; Y642-V647 HydrophobicContact CD1-CG2 4.27Å; Y642-V647 HydrophobicContact CE1-CG1 3.96Å; Y642-N653 PolarHBondContact N-O 3.11Å; Y642-L655 HydrophobicContact CD2-CB 4.35Å; Y642-L655 HydrophobicContact CD2-CD1 4.46Å; Y642-Y662 AromaticContact CD1-CD1 3.78Å; Y642-Y662 HydrophobicContact CD1-CD1 3.78Å; Y642-Y662 AromaticContact CD1-CD2 3.67Å; Y642-Y662 HydrophobicContact CD1-CD2 3.67Å; Y642-Y662 HydrophobicContact CD1-CE1 4.06Å; Y642-Y662 AromaticContact CD1-CE2 3.97Å; Y642-Y662 HydrophobicContact CD1-CE2 3.97Å; Y642-Y662 AromaticContact CD1-CG 3.58Å; Y642-Y662 HydrophobicContact CD1-CG 3.58Å; Y642-Y662 HydrophobicContact CD2-CD1 4.34Å; Y642-Y662 HydrophobicContact CD2-CG 4.44Å; Y642-Y662 AromaticContact CE1-CD1 3.51Å; Y642-Y662 HydrophobicContact CE1-CD1 3.51Å; Y642-Y662 AromaticContact CE1-CD2 3.99Å; Y642-Y662 HydrophobicContact CE1-CD2 3.99Å; Y642-Y662 AromaticContact CE1-CE1 3.39Å; Y642-Y662 HydrophobicContact CE1-CE1 3.39Å; Y642-Y662 AromaticContact CE1-CE2 3.9Å; Y642-Y662 HydrophobicContact CE1-CE2 3.9Å; Y642-Y662 AromaticContact CE1-CG 3.81Å; Y642-Y662 HydrophobicContact CE1-CG 3.81Å; Y642-Y662 AromaticContact CE1-CZ 3.6Å; Y642-Y662 HydrophobicContact CE2-CD1 4.11Å; Y642-Y662 HydrophobicContact CG-CD1 4.18Å; Y642-Y662 HydrophobicContact CG-CD2 4.36Å; Y642-Y662 AromaticContact CG-CG 3.92Å; Y642-Y662 HydrophobicContact CG-CG 3.92Å; Y642-Y662 AromaticContact CZ-CD1 3.69Å; Y642-Y662 AromaticContact CZ-CE1 3.66Å
643	T	80.3	Confident	85.2	Confident	82 Å²	82	59.4 Å²	59.4	50%	0.503	34%	0.335	S	S	.	.			trans	-124.2	5.4	-178.9	50.8	0	0	0	0	113.1
644	G	77	Confident	85.8	Confident	30 Å²	30	53.5 Å²	53.5	31%	0.309	31%	0.313	S	S	.	.			trans	-83.9	-176	179.1	0	0	0	0	0	113.7	Y642 G646 V647	Y642-G644 WeakPolarHBondContact CE1-O 3.46Å; G644-G646 PolarHBondContact O-N 2.77Å; G644-V647 WeakPolarHBondContact O-CG2 3.47Å; G644-V647 PolarHBondContact O-N 3.29Å
645	G	72.7	Confident	86.3	Confident	45 Å²	45	53.4 Å²	53.4	46%	0.464	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	10.8	164.7	0	0	0	0	0	117	Y229	Y229-G645 PolarHBondContact OH-O 3.16Å
646	G	72.2	Confident	86.7	Confident	80 Å²	80	47.3 Å²	47.3	83%	0.825	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	18.2	-178.2	0	0	0	0	0	114.8	G644	G644-G646 PolarHBondContact O-N 2.77Å
647	V	82.4	Confident	86.8	Confident	24 Å²	24	44 Å²	44	15%	0.145	26%	0.262	C	S	.	.			trans	-62	151.6	172.8	-58.7	0	0	0	0	111.5	Y642 G644 P649 N653 Y662	Y642-V647 HydrophobicContact CD1-CG1 3.98Å; Y642-V647 HydrophobicContact CD1-CG2 4.27Å; Y642-V647 HydrophobicContact CE1-CG1 3.96Å; G644-V647 WeakPolarHBondContact O-CG2 3.47Å; G644-V647 PolarHBondContact O-N 3.29Å; V647-P649 VanDerWaalsContact O-CD 3.32Å; V647-P649 WeakPolarHBondContact O-CD 3.28Å; V647-N653 HydrophobicContact CB-CB 4.43Å; V647-N653 HydrophobicContact CG1-CB 4.47Å; V647-N653 HydrophobicContact CG2-CB 4.28Å; V647-Y662 HydrophobicContact CG1-CD2 4.4Å; V647-Y662 HydrophobicContact CG1-CE2 3.61Å
648	K	81.4	Confident	86.6	Confident	148 Å²	148	46.2 Å²	46.2	64%	0.643	29%	0.294	S	S	*	.			trans	-61.9	120.2	178.5	-71.6	175.3	179.6	172.6	0	109.9	C650 A651	K648-C650 PolarHBondContact O-N 3.26Å; K648-A651 HydrophobicContact CB-CB 3.95Å; K648-A651 PolarHBondContact O-N 3.15Å
649	P	87.1	Confident	86.3	Confident	60 Å²	60	48.4 Å²	48.4	39%	0.39	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.2	-173.6	-29	36.6	0	0	0	116.1	R620 V647 C675	R620-P649 VanDerWaalsContact CZ-O 3.31Å; R620-P649 PolarHBondContact NH1-O 2.6Å; R620-P649 VanDerWaalsContact NH1-O 3.07Å; R620-P649 PolarHBondContact NH2-O 3.03Å; V647-P649 VanDerWaalsContact O-CD 3.32Å; V647-P649 WeakPolarHBondContact O-CD 3.28Å; P649-C675 HydrophobicContact CB-CB 4.36Å; P649-C675 VanDerWaalsContact O-O 3.1Å
650	C	90.6	Very high	85.9	Confident	7 Å²	7	56.7 Å²	56.7	5%	0.047	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	11.2	178.1	-66.9	0	0	0	0	114.5	K648 A668 V669 C683 G686	K648-C650 PolarHBondContact O-N 3.26Å; C650-A668 CarbonylContact O-C 3.59Å; C650-A668 VanDerWaalsContact O-CA 3.28Å; C650-A668 WeakPolarHBondContact O-CA 3.44Å; C650-V669 HydrophobicContact CB-CG2 4.44Å; C650-V669 PolarHBondContact O-N 3.49Å; C650-C683 WeakPolarHBondContact CA-SG 3.27Å; C650-C683 HydrophobicContact CB-CB 3.69Å; C650-C683 WeakPolarHBondContact CB-SG 3.06Å; C650-C683 VanDerWaalsContact SG-CA 3.5Å; C650-C683 WeakPolarHBondContact SG-CB 3.31Å; C650-C683 CovalentContact SG-SG 2.04Å; C650-C683 PolarHBondContact SG-SG 3.24Å; C650-G686 WeakPolarHBondContact CB-O 3.32Å
651	A	88	Confident	85.7	Confident	2 Å²	2	55.8 Å²	55.8	2%	0.017	34%	0.338	C	S	.	.	S	Bend	trans	-97.7	142.2	166.4	0	0	0	0	0	109.9	K648 N653 E664	K648-A651 HydrophobicContact CB-CB 3.95Å; K648-A651 PolarHBondContact O-N 3.15Å; A651-N653 PolarHBondContact O-N 3.26Å; A651-N653 PolarHBondContact O-ND2 3.44Å; A651-E664 HydrophobicContact CB-CG 4.46Å; A651-E664 WeakPolarHBondContact CB-OE2 3.48Å
652	L	90.6	Very high	85.6	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	85	-175.5	-174.7	65.5	0	0	0	110.4	R620 Q623 F627 R665 A666 V669	R620-L652 HydrophobicContact CG-CD1 4.04Å; Q623-L652 HydrophobicContact CB-CD1 3.73Å; Q623-L652 HydrophobicContact CB-CD2 3.93Å; F627-L652 HydrophobicContact CE2-CD2 3.74Å; L652-R665 HydrophobicContact CD2-CB 4.16Å; L652-R665 HydrophobicContact CG-CB 4.31Å; L652-R665 PolarHBondContact O-N 2.98Å; L652-A666 HydrophobicContact CB-CB 4.01Å; L652-A666 HydrophobicContact CD2-CB 4.22Å; L652-A666 PolarHBondContact N-O 2.76Å; L652-V669 HydrophobicContact CB-CG1 3.93Å; L652-V669 HydrophobicContact CD1-CG1 4.07Å
653	N	90.9	Very high	85.4	Confident	9 Å²	9	56 Å²	56	5%	0.048	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128	174.1	-76.8	-93.1	0	0	0	109.8	Y642 V647 A651	Y642-N653 PolarHBondContact N-O 3.11Å; V647-N653 HydrophobicContact CB-CB 4.43Å; V647-N653 HydrophobicContact CG1-CB 4.47Å; V647-N653 HydrophobicContact CG2-CB 4.28Å; A651-N653 PolarHBondContact O-N 3.26Å; A651-N653 PolarHBondContact O-ND2 3.44Å
654	C	92.6	Very high	85.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.9	-178.5	-53.9	0	0	0	0	111.3	C624 W639 K640 Y662 T663 R665	C624-C654 WeakPolarHBondContact CA-SG 3.33Å; C624-C654 HydrophobicContact CB-CB 3.97Å; C624-C654 WeakPolarHBondContact CB-SG 3.5Å; C624-C654 WeakPolarHBondContact SG-CB 3.41Å; C624-C654 CovalentContact SG-SG 2.05Å; C624-C654 PolarHBondContact SG-SG 3.12Å; W639-C654 HydrophobicContact CB-CB 4.08Å; W639-C654 HydrophobicContact CD2-CB 4.3Å; W639-C654 HydrophobicContact CE3-CB 3.76Å; W639-C654 HydrophobicContact CG-CB 4.47Å; K640-C654 CarbonylContact O-C 3.59Å; K640-C654 VanDerWaalsContact O-CA 3.28Å; K640-C654 WeakPolarHBondContact O-CA 3.46Å; C654-Y662 CarbonylContact O-C 3.57Å; C654-Y662 WeakPolarHBondContact O-CA 3.49Å; C654-Y662 WeakPolarHBondContact O-CB 3.47Å; C654-T663 PolarHBondContact N-O 3.1Å; C654-T663 PolarHBondContact O-N 2.98Å; C654-R665 HydrophobicContact CB-CG 3.81Å; C654-R665 VanDerWaalsContact SG-CG 3.54Å
655	L	92.4	Very high	86	Confident	57 Å²	57	57.2 Å²	57.2	30%	0.298	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.6	171.2	-178.4	73.7	0	0	0	109.5	W639 K640 Y642 F661	W639-L655 WeakPolarHBondContact CA-O 3.27Å; K640-L655 PolarHBondContact N-O 3.33Å; K640-L655 PolarHBondContact O-N 2.89Å; Y642-L655 HydrophobicContact CD2-CB 4.35Å; Y642-L655 HydrophobicContact CD2-CD1 4.46Å; L655-F661 WeakPolarHBondContact CD1-O 3.24Å
656	A	91.2	Very high	86.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.5	171	0	0	0	0	0	110	Y637 W639 G658 Y659 F661	Y637-A656 HydrophobicContact CD1-CB 3.79Å; Y637-A656 HydrophobicContact CE1-CB 4.46Å; Y637-A656 HydrophobicContact CG-CB 4.16Å; W639-A656 HydrophobicContact CE3-CB 4.23Å; W639-A656 HydrophobicContact CH2-CB 4.41Å; W639-A656 HydrophobicContact CZ3-CB 3.91Å; A656-G658 PolarHBondContact O-N 2.84Å; A656-Y659 HydrophobicContact CB-CD2 4.21Å; A656-Y659 PolarHBondContact O-N 2.86Å; A656-Y659 VanDerWaalsContact O-O 3.09Å; A656-F661 HydrophobicContact CB-CD1 4.46Å; A656-F661 HydrophobicContact CB-CE1 3.84Å; A656-F661 HydrophobicContact CB-CE2 3.91Å; A656-F661 HydrophobicContact CB-CZ 3.53Å; A656-F661 PolarHBondContact N-O 2.91Å; A656-F661 VanDerWaalsContact N-O 3.12Å
657	E	89.8	Confident	86.4	Confident	85 Å²	85	57.7 Å²	57.7	40%	0.397	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	133.4	-176.1	-179.7	160.3	-142.6	0	0	112.3	N638 K640 Y659	N638-E657 HydrophobicContact CB-CB 4.28Å; N638-E657 PolarHBondContact ND2-OE2 3.42Å; N638-E657 WeakPolarHBondContact O-CB 3.44Å; N638-E657 PolarHBondContact O-N 2.62Å; K640-E657 WeakPolarHBondContact CE-OE1 3.33Å; K640-E657 WeakPolarHBondContact CE-OE2 3.35Å; K640-E657 VanDerWaalsContact NZ-CD 3.27Å; K640-E657 IonicContact NZ-OE1 2.67Å; K640-E657 PolarHBondContact NZ-OE1 2.71Å; K640-E657 IonicContact NZ-OE2 3.21Å; K640-E657 PolarHBondContact NZ-OE2 2.82Å; E657-Y659 VanDerWaalsContact C-N 3.29Å; E657-Y659 VanDerWaalsContact O-CD2 3.29Å; E657-Y659 WeakPolarHBondContact O-CD2 3.48Å
658	G	85.6	Confident	86.5	Confident	77 Å²	77	58.6 Å²	58.6	79%	0.794	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	1.9	-172.6	0	0	0	0	0	114.7	A656	A656-G658 PolarHBondContact O-N 2.84Å
659	Y	85.8	Confident	86.9	Confident	121 Å²	121	51.8 Å²	51.8	48%	0.475	29%	0.29	S	S	.	.	S	Bend	trans	-129.7	147.9	-179.8	-59.9	-87.3	0	0	0	112.8	Y637 A656 E657 F661	Y637-Y659 AromaticContact CD1-CD2 3.68Å; Y637-Y659 HydrophobicContact CD1-CD2 3.68Å; Y637-Y659 AromaticContact CD1-CE2 3.6Å; Y637-Y659 HydrophobicContact CD1-CE2 3.6Å; Y637-Y659 HydrophobicContact CE1-CD1 4.49Å; Y637-Y659 AromaticContact CE1-CD2 3.72Å; Y637-Y659 HydrophobicContact CE1-CD2 3.72Å; Y637-Y659 HydrophobicContact CE1-CE1 4.35Å; Y637-Y659 AromaticContact CE1-CE2 3.57Å; Y637-Y659 HydrophobicContact CE1-CE2 3.57Å; Y637-Y659 HydrophobicContact CE1-CG 4.2Å; Y637-Y659 AromaticContact CE1-CZ 3.91Å; A656-Y659 HydrophobicContact CB-CD2 4.21Å; A656-Y659 PolarHBondContact O-N 2.86Å; A656-Y659 VanDerWaalsContact O-O 3.09Å; E657-Y659 VanDerWaalsContact C-N 3.29Å; E657-Y659 VanDerWaalsContact O-CD2 3.29Å; E657-Y659 WeakPolarHBondContact O-CD2 3.48Å; Y659-F661 HydrophobicContact CD1-CE1 4.39Å; Y659-F661 HydrophobicContact CG-CD1 4.49Å; Y659-F661 AromaticContact CG-CE1 3.98Å; Y659-F661 HydrophobicContact CG-CE1 3.98Å; Y659-F661 PolarHBondContact O-N 2.53Å; Y659-F661 VanDerWaalsContact O-N 3.1Å
660	N	82.9	Confident	87.1	Confident	176 Å²	176	52.9 Å²	52.9	94%	0.941	29%	0.292	S	S	*	.	S	Bend	trans	-87.6	43.4	-178	-64.1	-5.7	0	0	0	112.6
661	F	86.5	Confident	87.1	Confident	61 Å²	61	54 Å²	54	27%	0.268	30%	0.297	S	S	.	.			trans	-144.6	144.2	174.1	76.9	-88.2	0	0	0	112.4	F632 Y637 W639 L655 A656 Y659	F632-F661 HydrophobicContact CD1-CE2 4.14Å; F632-F661 AromaticContact CE1-CE2 3.79Å; F632-F661 HydrophobicContact CE1-CE2 3.79Å; Y637-F661 HydrophobicContact CD1-CZ 4.21Å; Y637-F661 AromaticContact CE1-CE1 3.98Å; Y637-F661 HydrophobicContact CE1-CE1 3.98Å; Y637-F661 AromaticContact CE1-CZ 3.79Å; Y637-F661 HydrophobicContact CE1-CZ 3.79Å; Y637-F661 HydrophobicContact CE2-CZ 4.33Å; Y637-F661 AromaticContact CZ-CZ 3.86Å; W639-F661 HydrophobicContact CH2-CE2 4.14Å; W639-F661 HydrophobicContact CZ3-CE2 4.35Å; L655-F661 WeakPolarHBondContact CD1-O 3.24Å; A656-F661 HydrophobicContact CB-CD1 4.46Å; A656-F661 HydrophobicContact CB-CE1 3.84Å; A656-F661 HydrophobicContact CB-CE2 3.91Å; A656-F661 HydrophobicContact CB-CZ 3.53Å; A656-F661 PolarHBondContact N-O 2.91Å; A656-F661 VanDerWaalsContact N-O 3.12Å; Y659-F661 HydrophobicContact CD1-CE1 4.39Å; Y659-F661 HydrophobicContact CG-CD1 4.49Å; Y659-F661 AromaticContact CG-CE1 3.98Å; Y659-F661 HydrophobicContact CG-CE1 3.98Å; Y659-F661 PolarHBondContact O-N 2.53Å; Y659-F661 VanDerWaalsContact O-N 3.1Å
662	Y	89.1	Confident	87.2	Confident	80 Å²	80	53.9 Å²	53.9	31%	0.314	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	164.3	169.8	67.6	-90.8	0	0	0	109.9	Y642 V647 C654	Y642-Y662 AromaticContact CD1-CD1 3.78Å; Y642-Y662 HydrophobicContact CD1-CD1 3.78Å; Y642-Y662 AromaticContact CD1-CD2 3.67Å; Y642-Y662 HydrophobicContact CD1-CD2 3.67Å; Y642-Y662 HydrophobicContact CD1-CE1 4.06Å; Y642-Y662 AromaticContact CD1-CE2 3.97Å; Y642-Y662 HydrophobicContact CD1-CE2 3.97Å; Y642-Y662 AromaticContact CD1-CG 3.58Å; Y642-Y662 HydrophobicContact CD1-CG 3.58Å; Y642-Y662 HydrophobicContact CD2-CD1 4.34Å; Y642-Y662 HydrophobicContact CD2-CG 4.44Å; Y642-Y662 AromaticContact CE1-CD1 3.51Å; Y642-Y662 HydrophobicContact CE1-CD1 3.51Å; Y642-Y662 AromaticContact CE1-CD2 3.99Å; Y642-Y662 HydrophobicContact CE1-CD2 3.99Å; Y642-Y662 AromaticContact CE1-CE1 3.39Å; Y642-Y662 HydrophobicContact CE1-CE1 3.39Å; Y642-Y662 AromaticContact CE1-CE2 3.9Å; Y642-Y662 HydrophobicContact CE1-CE2 3.9Å; Y642-Y662 AromaticContact CE1-CG 3.81Å; Y642-Y662 HydrophobicContact CE1-CG 3.81Å; Y642-Y662 AromaticContact CE1-CZ 3.6Å; Y642-Y662 HydrophobicContact CE2-CD1 4.11Å; Y642-Y662 HydrophobicContact CG-CD1 4.18Å; Y642-Y662 HydrophobicContact CG-CD2 4.36Å; Y642-Y662 AromaticContact CG-CG 3.92Å; Y642-Y662 HydrophobicContact CG-CG 3.92Å; Y642-Y662 AromaticContact CZ-CD1 3.69Å; Y642-Y662 AromaticContact CZ-CE1 3.66Å; V647-Y662 HydrophobicContact CG1-CD2 4.4Å; V647-Y662 HydrophobicContact CG1-CE2 3.61Å; C654-Y662 CarbonylContact O-C 3.57Å; C654-Y662 WeakPolarHBondContact O-CA 3.49Å; C654-Y662 WeakPolarHBondContact O-CB 3.47Å
663	T	84.4	Confident	87.3	Confident	26 Å²	26	53.6 Å²	53.6	16%	0.16	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.4	176.5	-164.8	0	0	0	0	110.7	F632 W639 C654 R665	F632-T663 HydrophobicContact CE1-CG2 4.34Å; F632-T663 HydrophobicContact CE2-CG2 4.01Å; F632-T663 HydrophobicContact CZ-CG2 3.78Å; W639-T663 HydrophobicContact CH2-CG2 3.76Å; W639-T663 HydrophobicContact CZ3-CG2 3.78Å; C654-T663 PolarHBondContact N-O 3.1Å; C654-T663 PolarHBondContact O-N 2.98Å; T663-R665 HydrophobicContact CG2-CG 4.49Å; T663-R665 PolarHBondContact O-N 3.43Å
664	E	84.8	Confident	87.2	Confident	93 Å²	93	56.1 Å²	56.1	44%	0.435	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122	171.7	-168.3	172.5	101.5	0	0	108.9	A651 A666 P667	A651-E664 HydrophobicContact CB-CG 4.46Å; A651-E664 WeakPolarHBondContact CB-OE2 3.48Å; E664-A666 WeakPolarHBondContact CG-O 3.32Å; E664-P667 WeakPolarHBondContact OE1-CA 3.42Å
665	R	86	Confident	87.1	Confident	45 Å²	45	56.1 Å²	56.1	17%	0.17	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-28.4	177.9	-57.4	-56.1	-63.2	146.7	-2.1	112.3	F627 L652 C654 T663	F627-R665 HydrophobicContact CD2-CB 3.82Å; F627-R665 HydrophobicContact CD2-CG 4.08Å; F627-R665 HydrophobicContact CE2-CB 3.6Å; F627-R665 HydrophobicContact CE2-CG 4.37Å; F627-R665 HydrophobicContact CG-CB 4.4Å; F627-R665 HydrophobicContact CG-CG 4.45Å; F627-R665 HydrophobicContact CZ-CB 3.97Å; L652-R665 HydrophobicContact CD2-CB 4.16Å; L652-R665 HydrophobicContact CG-CB 4.31Å; L652-R665 PolarHBondContact O-N 2.98Å; C654-R665 HydrophobicContact CB-CG 3.81Å; C654-R665 VanDerWaalsContact SG-CG 3.54Å; T663-R665 HydrophobicContact CG2-CG 4.49Å; T663-R665 PolarHBondContact O-N 3.43Å
666	A	78.2	Confident	86.6	Confident	27 Å²	27	56.8 Å²	56.8	22%	0.223	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	144.4	170.7	0	0	0	0	0	110.9	L652 E664 A668	L652-A666 HydrophobicContact CB-CB 4.01Å; L652-A666 HydrophobicContact CD2-CB 4.22Å; L652-A666 PolarHBondContact N-O 2.76Å; E664-A666 WeakPolarHBondContact CG-O 3.32Å; A666-A668 PolarHBondContact O-N 3.36Å
667	P	74.3	Confident	85.7	Confident	107 Å²	107	60.7 Å²	60.7	70%	0.695	34%	0.343	S	S	*	.	S	Bend	trans	-70.9	-12.5	-178.5	30.1	-37	0	0	0	113.8	E664	E664-P667 WeakPolarHBondContact OE1-CA 3.42Å
668	A	84.6	Confident	84.8	Confident	44 Å²	44	62.4 Å²	62.4	36%	0.364	36%	0.355	S	S	.	.	S	Bend	trans	-140.6	141.1	171.8	0	0	0	0	0	110.2	C650 A666	C650-A668 CarbonylContact O-C 3.59Å; C650-A668 VanDerWaalsContact O-CA 3.28Å; C650-A668 WeakPolarHBondContact O-CA 3.44Å; A666-A668 PolarHBondContact O-N 3.36Å
669	V	90.6	Very high	84.7	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.03	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-75.5	162.1	163.2	-59.7	0	0	0	0	110.6	C650 L652 T673 C683	C650-V669 HydrophobicContact CB-CG2 4.44Å; C650-V669 PolarHBondContact O-N 3.49Å; L652-V669 HydrophobicContact CB-CG1 3.93Å; L652-V669 HydrophobicContact CD1-CG1 4.07Å; V669-T673 HydrophobicContact CB-CG2 4.25Å; V669-T673 HydrophobicContact CG2-CG2 4.15Å; V669-C683 HydrophobicContact CG2-CB 3.4Å
670	I	91	Very high	84.6	Confident	82 Å²	82	57.3 Å²	57.3	42%	0.421	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61.4	136.7	175.6	-62	172.8	0	0	0	110.3	F619 Q623 G672 T673	F619-I670 HydrophobicContact CE1-CB 3.97Å; F619-I670 HydrophobicContact CE1-CG2 3.95Å; F619-I670 HydrophobicContact CZ-CB 4.21Å; F619-I670 HydrophobicContact CZ-CD1 4.32Å; F619-I670 HydrophobicContact CZ-CG2 3.93Å; Q623-I670 HydrophobicContact CG-CD1 3.85Å; Q623-I670 HydrophobicContact CG-CG1 4.28Å; I670-G672 PolarHBondContact O-N 3.3Å; I670-T673 WeakPolarHBondContact O-CB 3.38Å; I670-T673 PolarHBondContact O-N 3.4Å; I670-T673 VanDerWaalsContact O-N 3.09Å; I670-T673 PolarHBondContact O-OG1 3.1Å
671	D	90.8	Very high	84.9	Confident	31 Å²	31	50.7 Å²	50.7	17%	0.166	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	131.8	177.9	-72.8	-10.4	0	0	0	110.9	S571 V578 Y604 C683 I684 N685	S571-D671 WeakPolarHBondContact CB-O 3.43Å; S571-D671 PolarHBondContact OG-O 3.45Å; V578-D671 HydrophobicContact CB-CB 4.26Å; V578-D671 HydrophobicContact CG1-CB 4.35Å; Y604-D671 WeakPolarHBondContact CE1-OD2 3.32Å; D671-C683 CarbonylContact C-O 3.5Å; D671-C683 WeakPolarHBondContact CA-O 3.04Å; D671-I684 WeakPolarHBondContact OD1-CA 3.35Å; D671-N685 PolarHBondContact OD1-N 3.14Å
672	G	89.9	Confident	85.2	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	2.5	-175.5	0	0	0	0	0	115.7	R572 I670 C683	R572-G672 WeakPolarHBondContact CD-O 3.48Å; R572-G672 PolarHBondContact NH1-O 3Å; I670-G672 PolarHBondContact O-N 3.3Å; G672-C683 PolarHBondContact N-O 2.72Å
673	T	91.8	Very high	85.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.			trans	-71.8	130.1	164.1	-51	0	0	0	0	109.6	F619 R620 Q623 V669 I670 I682 C683	F619-T673 HydrophobicContact CD1-CG2 4.3Å; F619-T673 VanDerWaalsContact CD1-OG1 3.28Å; F619-T673 WeakPolarHBondContact CD1-OG1 3.28Å; F619-T673 WeakPolarHBondContact CE1-OG1 3.28Å; R620-T673 HydrophobicContact CB-CG2 3.79Å; R620-T673 HydrophobicContact CG-CG2 4.34Å; Q623-T673 PolarHBondContact NE2-OG1 3.2Å; V669-T673 HydrophobicContact CB-CG2 4.25Å; V669-T673 HydrophobicContact CG2-CG2 4.15Å; I670-T673 WeakPolarHBondContact O-CB 3.38Å; I670-T673 PolarHBondContact O-N 3.4Å; I670-T673 VanDerWaalsContact O-N 3.09Å; I670-T673 PolarHBondContact O-OG1 3.1Å; T673-I682 WeakPolarHBondContact O-CA 2.98Å; T673-C683 WeakPolarHBondContact O-CB 3.23Å; T673-C683 PolarHBondContact O-N 3.33Å
674	Q	90.1	Very high	85.4	Confident	62 Å²	62	43.2 Å²	43.2	29%	0.29	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-55.9	142.4	172.6	-74.9	172	-28.2	0	0	111.1	R620 D681 I682	R620-Q674 PolarHBondContact NH2-O 3.08Å; Q674-D681 CarbonylContact C-O 3.22Å; Q674-D681 WeakPolarHBondContact CA-O 3.43Å; Q674-I682 HydrophobicContact CG-CG2 4.43Å
675	C	88.8	Confident	85	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-72.1	-46.9	-177.1	-52.3	0	0	0	0	112.4	R620 P649 D681 C688	R620-C675 PolarHBondContact NH1-O 2.88Å; R620-C675 PolarHBondContact NH2-O 2.81Å; R620-C675 VanDerWaalsContact NH2-O 3.12Å; P649-C675 HydrophobicContact CB-CB 4.36Å; P649-C675 VanDerWaalsContact O-O 3.1Å; C675-D681 PolarHBondContact N-O 3.31Å; C675-D681 VanDerWaalsContact SG-C 3.53Å; C675-D681 PolarHBondContact SG-O 2.82Å; C675-C688 HydrophobicContact CB-CB 4Å; C675-C688 WeakPolarHBondContact CB-SG 3.46Å; C675-C688 WeakPolarHBondContact SG-CA 3.48Å; C675-C688 WeakPolarHBondContact SG-CB 3.3Å; C675-C688 CovalentContact SG-SG 2.03Å; C675-C688 PolarHBondContact SG-SG 2.97Å
676	N	83.5	Confident	84.7	Confident	70 Å²	70	39.4 Å²	39.4	37%	0.374	24%	0.243	S	C	.	.	S	Bend	trans	-134.1	149.7	-174.6	-59.6	-46.6	0	0	0	108.3	D678 S679	N676-D678 PolarHBondContact O-N 3.12Å; N676-D678 VanDerWaalsContact O-N 3.16Å; N676-S679 PolarHBondContact O-N 2.91Å
677	A	72.4	Confident	84.9	Confident	83 Å²	83	40.4 Å²	40.4	69%	0.686	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.1	-178.6	0	0	0	0	0	113.9
678	D	70.8	Confident	85.6	Confident	121 Å²	121	37.8 Å²	37.8	65%	0.647	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	17.6	-175.8	-55.3	-56	0	0	0	112.7	N676 K779	N676-D678 PolarHBondContact O-N 3.12Å; N676-D678 VanDerWaalsContact O-N 3.16Å; D678-K779 IonicContact OD1-NZ 2.7Å; D678-K779 PolarHBondContact OD1-NZ 3.3Å; D678-K779 IonicContact OD2-NZ 2.77Å; D678-K779 PolarHBondContact OD2-NZ 3Å
679	S	82	Confident	85.8	Confident	34 Å²	34	38.3 Å²	38.3	24%	0.238	22%	0.221	C	C	.	.			trans	-137.9	147.6	172.4	-173.8	0	0	0	0	112.5	N676 D681	N676-S679 PolarHBondContact O-N 2.91Å; S679-D681 VanDerWaalsContact C-N 3.28Å; S679-D681 PolarHBondContact OG-N 3.41Å; S679-D681 PolarHBondContact OG-OD2 3.35Å
680	L	83.8	Confident	85.8	Confident	57 Å²	57	41.3 Å²	41.3	30%	0.298	23%	0.234	S	C	.	.			trans	-77.2	-13.9	172.5	-59.5	179.2	0	0	0	113.1	I682 V691 C693	L680-I682 PolarHBondContact O-N 3.02Å; L680-V691 WeakPolarHBondContact O-CB 3.24Å; L680-C693 HydrophobicContact CD1-CB 4.37Å
681	D	90.6	Very high	85.8	Confident	36 Å²	36	37.6 Å²	37.6	19%	0.193	22%	0.216	C	C	.	.			trans	-54.6	136.3	178.4	-53.9	-49.4	0	0	0	111	Q674 C675 S679 C688 K689 H690	Q674-D681 CarbonylContact C-O 3.22Å; Q674-D681 WeakPolarHBondContact CA-O 3.43Å; C675-D681 PolarHBondContact N-O 3.31Å; C675-D681 VanDerWaalsContact SG-C 3.53Å; C675-D681 PolarHBondContact SG-O 2.82Å; S679-D681 VanDerWaalsContact C-N 3.28Å; S679-D681 PolarHBondContact OG-N 3.41Å; S679-D681 PolarHBondContact OG-OD2 3.35Å; D681-C688 WeakPolarHBondContact CB-SG 3.49Å; D681-K689 WeakPolarHBondContact CA-O 3.3Å; D681-K689 WeakPolarHBondContact CB-O 3.26Å; D681-H690 VanDerWaalsContact OD1-CA 3.31Å; D681-H690 WeakPolarHBondContact OD1-CA 3.32Å; D681-H690 IonicContact OD1-CE1 3.7Å; D681-H690 IonicContact OD1-CG 2.62Å; D681-H690 IonicContact OD1-ND1 2.65Å; D681-H690 PolarHBondContact OD1-ND1 3.5Å
682	I	91.9	Very high	85.6	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.2	-177.4	65	-166.8	0	0	0	112.3	V578 T673 Q674 L680 I684 K689 V691 L697	V578-I682 HydrophobicContact CG2-CD1 3.5Å; V578-I682 VanDerWaalsContact CG2-CD1 3.5Å; V578-I682 HydrophobicContact CG2-CG1 4.41Å; T673-I682 WeakPolarHBondContact O-CA 2.98Å; Q674-I682 HydrophobicContact CG-CG2 4.43Å; L680-I682 PolarHBondContact O-N 3.02Å; I682-I684 HydrophobicContact CD1-CD1 4.36Å; I682-I684 HydrophobicContact CG1-CD1 4.27Å; I682-I684 HydrophobicContact CG1-CG1 4.18Å; I682-K689 PolarHBondContact N-O 2.92Å; I682-K689 PolarHBondContact O-N 3.02Å; I682-V691 HydrophobicContact CB-CG2 4.2Å; I682-V691 HydrophobicContact CD1-CG2 3.69Å; I682-V691 HydrophobicContact CG1-CG2 3.55Å; I682-V691 HydrophobicContact CG2-CG2 4.09Å; I682-L697 HydrophobicContact CD1-CD1 4.43Å; I682-L697 HydrophobicContact CG1-CD1 4.49Å
683	C	90.9	Very high	85.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128	171	-63.8	0	0	0	0	110.3	C650 V669 D671 G672 T673 E687	C650-C683 WeakPolarHBondContact CA-SG 3.27Å; C650-C683 HydrophobicContact CB-CB 3.69Å; C650-C683 WeakPolarHBondContact CB-SG 3.06Å; C650-C683 VanDerWaalsContact SG-CA 3.5Å; C650-C683 WeakPolarHBondContact SG-CB 3.31Å; C650-C683 CovalentContact SG-SG 2.04Å; C650-C683 PolarHBondContact SG-SG 3.24Å; V669-C683 HydrophobicContact CG2-CB 3.4Å; D671-C683 CarbonylContact C-O 3.5Å; D671-C683 WeakPolarHBondContact CA-O 3.04Å; G672-C683 PolarHBondContact N-O 2.72Å; T673-C683 WeakPolarHBondContact O-CB 3.23Å; T673-C683 PolarHBondContact O-N 3.33Å; C683-E687 CarbonylContact C-O 3.32Å; C683-E687 WeakPolarHBondContact CA-O 3.41Å
684	I	87.4	Confident	85.1	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.2	169.5	-59.9	-177.3	0	0	0	107.8	V578 Y604 D671 I682 G686 E687 K689 L697	V578-I684 HydrophobicContact CG1-CD1 4.07Å; V578-I684 HydrophobicContact CG1-CG1 4.44Å; V578-I684 HydrophobicContact CG2-CD1 3.9Å; V578-I684 HydrophobicContact CG2-CG1 4.12Å; Y604-I684 HydrophobicContact CD1-CG2 3.6Å; Y604-I684 HydrophobicContact CD2-CG2 3.94Å; Y604-I684 HydrophobicContact CE1-CG2 3.36Å; Y604-I684 HydrophobicContact CE2-CG2 3.75Å; Y604-I684 HydrophobicContact CG-CG2 3.84Å; Y604-I684 VanDerWaalsContact CZ-CG2 3.41Å; D671-I684 WeakPolarHBondContact OD1-CA 3.35Å; I682-I684 HydrophobicContact CD1-CD1 4.36Å; I682-I684 HydrophobicContact CG1-CD1 4.27Å; I682-I684 HydrophobicContact CG1-CG1 4.18Å; I684-G686 VanDerWaalsContact C-N 3.29Å; I684-G686 PolarHBondContact O-N 3.47Å; I684-E687 PolarHBondContact N-O 3.31Å; I684-E687 PolarHBondContact O-N 3.2Å; I684-E687 VanDerWaalsContact O-N 3.11Å; I684-E687 VanDerWaalsContact O-O 3.13Å; I684-K689 HydrophobicContact CB-CG 3.96Å; I684-K689 HydrophobicContact CD1-CB 4.41Å; I684-K689 HydrophobicContact CD1-CG 4.33Å; I684-K689 HydrophobicContact CG1-CG 4.29Å; I684-L697 HydrophobicContact CD1-CD1 3.58Å; I684-L697 HydrophobicContact CD1-CD2 3.49Å; I684-L697 VanDerWaalsContact CD1-CD2 3.49Å; I684-L697 HydrophobicContact CD1-CG 4.18Å
685	N	76.3	Confident	85	Confident	35 Å²	35	38 Å²	38	19%	0.187	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	43.5	-179.8	-148.4	81.9	0	0	0	113.4	R244 D457 Y604 D671 E687	R244-N685 PolarHBondContact NH1-O 3.47Å; D457-N685 WeakPolarHBondContact CB-ND2 3.28Å; D457-N685 PolarHBondContact O-ND2 2.96Å; Y604-N685 WeakPolarHBondContact OH-CB 3.39Å; Y604-N685 PolarHBondContact OH-OD1 3.21Å; D671-N685 PolarHBondContact OD1-N 3.14Å; N685-E687 VanDerWaalsContact C-N 3.32Å; N685-E687 PolarHBondContact O-N 3.26Å
686	G	78.9	Confident	84.9	Confident	23 Å²	23	41.9 Å²	41.9	24%	0.237	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	11.5	-178.8	0	0	0	0	0	115.6	C650 I684	C650-G686 WeakPolarHBondContact CB-O 3.32Å; I684-G686 VanDerWaalsContact C-N 3.29Å; I684-G686 PolarHBondContact O-N 3.47Å
687	E	82.1	Confident	85	Confident	48 Å²	48	40.7 Å²	40.7	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.9	-178.9	-155	176.1	-102.3	0	0	112.4	R244 C683 I684 N685 K689	R244-E687 IonicContact CZ-OE1 3.45Å; R244-E687 IonicContact NE-OE1 3.64Å; R244-E687 PolarHBondContact NE-OE1 3.01Å; R244-E687 IonicContact NE-OE2 2.69Å; R244-E687 PolarHBondContact NE-OE2 3.38Å; R244-E687 IonicContact NH2-OE1 3.96Å; R244-E687 PolarHBondContact NH2-OE1 3.01Å; C683-E687 CarbonylContact C-O 3.32Å; C683-E687 WeakPolarHBondContact CA-O 3.41Å; I684-E687 PolarHBondContact N-O 3.31Å; I684-E687 PolarHBondContact O-N 3.2Å; I684-E687 VanDerWaalsContact O-N 3.11Å; I684-E687 VanDerWaalsContact O-O 3.13Å; N685-E687 VanDerWaalsContact C-N 3.32Å; N685-E687 PolarHBondContact O-N 3.26Å; E687-K689 IonicContact OE2-NZ 2.83Å; E687-K689 PolarHBondContact OE2-NZ 3.27Å
688	C	88.8	Confident	85.6	Confident	52 Å²	52	39.4 Å²	39.4	35%	0.351	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.4	-178.2	-165.1	0	0	0	0	111.5	C675 D681	C675-C688 HydrophobicContact CB-CB 4Å; C675-C688 WeakPolarHBondContact CB-SG 3.46Å; C675-C688 WeakPolarHBondContact SG-CA 3.48Å; C675-C688 WeakPolarHBondContact SG-CB 3.3Å; C675-C688 CovalentContact SG-SG 2.03Å; C675-C688 PolarHBondContact SG-SG 2.97Å; D681-C688 WeakPolarHBondContact CB-SG 3.49Å
689	K	89.4	Confident	86.4	Confident	56 Å²	56	34.9 Å²	34.9	24%	0.243	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.4	-179.8	-58.1	-57.1	-173	-172.7	0	110.7	D681 I682 I684 E687 L697	D681-K689 WeakPolarHBondContact CA-O 3.3Å; D681-K689 WeakPolarHBondContact CB-O 3.26Å; I682-K689 PolarHBondContact N-O 2.92Å; I682-K689 PolarHBondContact O-N 3.02Å; I684-K689 HydrophobicContact CB-CG 3.96Å; I684-K689 HydrophobicContact CD1-CB 4.41Å; I684-K689 HydrophobicContact CD1-CG 4.33Å; I684-K689 HydrophobicContact CG1-CG 4.29Å; E687-K689 IonicContact OE2-NZ 2.83Å; E687-K689 PolarHBondContact OE2-NZ 3.27Å; K689-L697 HydrophobicContact CB-CD1 3.76Å
690	H	90.3	Very high	86.6	Confident	67 Å²	67	39.4 Å²	39.4	31%	0.31	23%	0.229	S	C	.	.			trans	-71.4	143.1	-174	-171.3	46.2	0	0	0	113.2	D681 G698	D681-H690 VanDerWaalsContact OD1-CA 3.31Å; D681-H690 WeakPolarHBondContact OD1-CA 3.32Å; D681-H690 IonicContact OD1-CE1 3.7Å; D681-H690 IonicContact OD1-CG 2.62Å; D681-H690 IonicContact OD1-ND1 2.65Å; D681-H690 PolarHBondContact OD1-ND1 3.5Å; H690-G698 PolarHBondContact O-N 3.4Å
691	V	90.6	Very high	86.7	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.03	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-139.5	137.3	-179.6	-171.9	0	0	0	0	108.6	L680 I682 L697	L680-V691 WeakPolarHBondContact O-CB 3.24Å; I682-V691 HydrophobicContact CB-CG2 4.2Å; I682-V691 HydrophobicContact CD1-CG2 3.69Å; I682-V691 HydrophobicContact CG1-CG2 3.55Å; I682-V691 HydrophobicContact CG2-CG2 4.09Å; V691-L697 HydrophobicContact CG2-CD1 4.48Å
692	G	87.1	Confident	86.5	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.021	25%	0.25	C	S	.	.			trans	-76.5	175.6	175	0	0	0	0	0	113	D694 N695 I696 S699 A701	G692-D694 WeakPolarHBondContact CA-OD1 3.28Å; G692-D694 PolarHBondContact O-N 3.01Å; G692-N695 PolarHBondContact O-N 3.22Å; G692-N695 VanDerWaalsContact O-N 3.09Å; G692-I696 PolarHBondContact N-O 2.86Å; G692-S699 WeakPolarHBondContact CA-O 3.28Å; G692-S699 PolarHBondContact N-O 3.36Å; G692-A701 WeakPolarHBondContact CA-O 3.48Å
693	C	86.9	Confident	86.3	Confident	22 Å²	22	48.6 Å²	48.6	15%	0.149	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.2	173.7	60.4	0	0	0	0	114.5	L680 N695 A701 R702 E703 C709	L680-C693 HydrophobicContact CD1-CB 4.37Å; C693-N695 VanDerWaalsContact C-N 3.33Å; C693-A701 PolarHBondContact N-O 3.45Å; C693-A701 PolarHBondContact SG-O 2.96Å; C693-R702 VanDerWaalsContact SG-CA 3.55Å; C693-R702 PolarHBondContact SG-N 3Å; C693-R702 VanDerWaalsContact SG-N 3.35Å; C693-R702 PolarHBondContact SG-O 3.28Å; C693-R702 VanDerWaalsContact SG-O 3.32Å; C693-E703 HydrophobicContact CB-CG 4.05Å; C693-C709 HydrophobicContact CB-CB 3.59Å; C693-C709 WeakPolarHBondContact CB-SG 3.4Å; C693-C709 PolarHBondContact O-SG 3.5Å; C693-C709 WeakPolarHBondContact SG-CA 3.3Å; C693-C709 WeakPolarHBondContact SG-CB 3.28Å; C693-C709 CovalentContact SG-SG 2.03Å; C693-C709 PolarHBondContact SG-SG 3.33Å
694	D	85.7	Confident	86.2	Confident	45 Å²	45	49.6 Å²	49.6	24%	0.241	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.1	177.7	54.8	8.8	0	0	0	113.1	G692 I696 S699 C709	G692-D694 WeakPolarHBondContact CA-OD1 3.28Å; G692-D694 PolarHBondContact O-N 3.01Å; D694-I696 HydrophobicContact CB-CD1 4.21Å; D694-I696 HydrophobicContact CB-CG1 4.1Å; D694-I696 PolarHBondContact O-N 3.5Å; D694-I696 WeakPolarHBondContact OD1-CB 3.49Å; D694-I696 PolarHBondContact OD1-N 2Å; D694-S699 WeakPolarHBondContact OD1-CB 3.46Å; D694-S699 WeakPolarHBondContact OD2-CB 3.49Å; D694-S699 PolarHBondContact OD2-OG 3.35Å; D694-C709 PolarHBondContact N-SG 3.33Å
695	N	86.4	Confident	86.2	Confident	31 Å²	31	54.9 Å²	54.9	17%	0.166	29%	0.291	C	S	.	.	S	Bend	trans	61	19.7	-170.1	-59.3	-49.5	0	0	0	113.9	S606 T609 G692 C693	S606-N695 PolarHBondContact OG-O 3.46Å; T609-N695 HydrophobicContact CG2-CB 4Å; T609-N695 PolarHBondContact O-ND2 3.15Å; G692-N695 PolarHBondContact O-N 3.22Å; G692-N695 VanDerWaalsContact O-N 3.09Å; C693-N695 VanDerWaalsContact C-N 3.33Å
696	I	87.1	Confident	86.8	Confident	83 Å²	83	53.9 Å²	53.9	43%	0.426	29%	0.287	S	S	.	.			trans	-94.9	122.9	179.3	-58.2	179.2	0	0	0	110.8	S606 T609 G692 D694 G698 S699	S606-I696 WeakPolarHBondContact OG-CA 3.49Å; T609-I696 HydrophobicContact CG2-CG1 4.48Å; G692-I696 PolarHBondContact N-O 2.86Å; D694-I696 HydrophobicContact CB-CD1 4.21Å; D694-I696 HydrophobicContact CB-CG1 4.1Å; D694-I696 PolarHBondContact O-N 3.5Å; D694-I696 WeakPolarHBondContact OD1-CB 3.49Å; D694-I696 PolarHBondContact OD1-N 2Å; I696-G698 PolarHBondContact O-N 3.07Å; I696-S699 VanDerWaalsContact O-CB 3.31Å; I696-S699 WeakPolarHBondContact O-CB 3.4Å; I696-S699 PolarHBondContact O-N 3.23Å
697	L	86.6	Confident	87.2	Confident	45 Å²	45	56.3 Å²	56.3	24%	0.236	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-59.1	117.1	179	178	66	0	0	0	111.1	S606 I682 I684 K689 V691 S699	S606-L697 PolarHBondContact OG-N 3.42Å; I682-L697 HydrophobicContact CD1-CD1 4.43Å; I682-L697 HydrophobicContact CG1-CD1 4.49Å; I684-L697 HydrophobicContact CD1-CD1 3.58Å; I684-L697 HydrophobicContact CD1-CD2 3.49Å; I684-L697 VanDerWaalsContact CD1-CD2 3.49Å; I684-L697 HydrophobicContact CD1-CG 4.18Å; K689-L697 HydrophobicContact CB-CD1 3.76Å; V691-L697 HydrophobicContact CG2-CD1 4.48Å; L697-S699 VanDerWaalsContact C-N 3.32Å
698	G	83.4	Confident	87.5	Confident	55 Å²	55	56.9 Å²	56.9	57%	0.567	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	12.9	-178.1	0	0	0	0	0	115.1	H690 I696	H690-G698 PolarHBondContact O-N 3.4Å; I696-G698 PolarHBondContact O-N 3.07Å
699	S	87.6	Confident	87.4	Confident	27 Å²	27	57 Å²	57	19%	0.189	30%	0.296	C	S	.	.			trans	-74.4	138.1	168.3	-175.6	0	0	0	0	110.9	G692 D694 I696 L697 A701	G692-S699 WeakPolarHBondContact CA-O 3.28Å; G692-S699 PolarHBondContact N-O 3.36Å; D694-S699 WeakPolarHBondContact OD1-CB 3.46Å; D694-S699 WeakPolarHBondContact OD2-CB 3.49Å; D694-S699 PolarHBondContact OD2-OG 3.35Å; I696-S699 VanDerWaalsContact O-CB 3.31Å; I696-S699 WeakPolarHBondContact O-CB 3.4Å; I696-S699 PolarHBondContact O-N 3.23Å; L697-S699 VanDerWaalsContact C-N 3.32Å; S699-A701 VanDerWaalsContact C-N 3.27Å; S699-A701 WeakPolarHBondContact OG-CB 3.43Å; S699-A701 PolarHBondContact OG-N 3.43Å
700	D	86.4	Confident	87.2	Confident	129 Å²	129	57.4 Å²	57.4	69%	0.69	32%	0.317	S	S	*	.			trans	-87.5	7.7	173.2	-70.3	-59.7	0	0	0	112.5	R702	D700-R702 WeakPolarHBondContact O-CG 3.33Å
701	A	86.8	Confident	86.8	Confident	29 Å²	29	55.7 Å²	55.7	24%	0.24	32%	0.316	C	S	.	.			trans	-62.9	134.6	-179.4	0	0	0	0	0	112.4	G692 C693 S699	G692-A701 WeakPolarHBondContact CA-O 3.48Å; C693-A701 PolarHBondContact N-O 3.45Å; C693-A701 PolarHBondContact SG-O 2.96Å; S699-A701 VanDerWaalsContact C-N 3.27Å; S699-A701 WeakPolarHBondContact OG-CB 3.43Å; S699-A701 PolarHBondContact OG-N 3.43Å
702	R	86.9	Confident	86.5	Confident	186 Å²	186	61.7 Å²	61.7	70%	0.702	35%	0.348	S	S	*	.			trans	-126.3	153.5	-176.8	-60.5	-177	-174	-150.7	-4.5	112.3	C693 D700 G710	C693-R702 VanDerWaalsContact SG-CA 3.55Å; C693-R702 PolarHBondContact SG-N 3Å; C693-R702 VanDerWaalsContact SG-N 3.35Å; C693-R702 PolarHBondContact SG-O 3.28Å; C693-R702 VanDerWaalsContact SG-O 3.32Å; D700-R702 WeakPolarHBondContact O-CG 3.33Å; R702-G710 PolarHBondContact O-N 3.35Å
703	E	87.8	Confident	86.3	Confident	76 Å²	76	61.8 Å²	61.8	36%	0.355	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-62.4	139.6	164.7	-73	176	-172.5	0	0	110.6	C693 R707	C693-E703 HydrophobicContact CB-CG 4.05Å; E703-R707 IonicContact OE1-CZ 2.81Å; E703-R707 IonicContact OE1-NE 2.98Å; E703-R707 IonicContact OE1-NH2 2.74Å; E703-R707 PolarHBondContact OE1-NH2 3.11Å; E703-R707 IonicContact OE2-CZ 3.31Å; E703-R707 IonicContact OE2-NE 3.92Å; E703-R707 PolarHBondContact OE2-NE 3.49Å; E703-R707 IonicContact OE2-NH2 2.66Å; E703-R707 PolarHBondContact OE2-NH2 2.77Å
704	D	88.3	Confident	86.1	Confident	20 Å²	20	64.2 Å²	64.2	11%	0.107	37%	0.367	C	S	.	.			trans	-81.5	-175.5	168.6	76	-3.3	0	0	0	111.9	C706 R707 V708 G711 D712 G713	D704-C706 PolarHBondContact O-N 3.44Å; D704-C706 VanDerWaalsContact OD1-C 3.27Å; D704-C706 VanDerWaalsContact OD1-CA 3.23Å; D704-C706 WeakPolarHBondContact OD1-CA 3.27Å; D704-C706 VanDerWaalsContact OD1-CB 3.3Å; D704-C706 WeakPolarHBondContact OD1-CB 3.41Å; D704-C706 PolarHBondContact OD1-N 3.03Å; D704-R707 PolarHBondContact O-N 2.98Å; D704-R707 PolarHBondContact OD1-N 3.49Å; D704-R707 VanDerWaalsContact OD1-N 3.07Å; D704-V708 PolarHBondContact N-O 3.27Å; D704-V708 PolarHBondContact OD1-N 2.93Å; D704-G711 WeakPolarHBondContact CB-O 3.48Å; D704-G711 WeakPolarHBondContact OD2-CA 3.44Å; D704-D712 PolarHBondContact OD2-N 2.92Å; D704-G713 VanDerWaalsContact OD2-CA 3.24Å; D704-G713 WeakPolarHBondContact OD2-CA 3.43Å; D704-G713 PolarHBondContact OD2-N 2.91Å
705	R	87.6	Confident	86.1	Confident	116 Å²	116	65.3 Å²	65.3	44%	0.438	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.5	177.2	72.9	175.2	-173	156.2	6.3	114.1	G713 C716 H744 N827	R705-G713 VanDerWaalsContact CZ-O 3.24Å; R705-G713 PolarHBondContact NE-O 2.9Å; R705-G713 PolarHBondContact NH2-O 3.34Å; R705-C716 PolarHBondContact NH2-O 3.11Å; R705-H744 PolarHBondContact O-CD2 3Å; R705-N827 PolarHBondContact O-ND2 3.02Å
706	C	89.1	Confident	86.2	Confident	15 Å²	15	64 Å²	64	10%	0.101	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	7.3	-179.1	-52.9	0	0	0	0	112.3	D704 V708 G713 T715 C716	D704-C706 PolarHBondContact O-N 3.44Å; D704-C706 VanDerWaalsContact OD1-C 3.27Å; D704-C706 VanDerWaalsContact OD1-CA 3.23Å; D704-C706 WeakPolarHBondContact OD1-CA 3.27Å; D704-C706 VanDerWaalsContact OD1-CB 3.3Å; D704-C706 WeakPolarHBondContact OD1-CB 3.41Å; D704-C706 PolarHBondContact OD1-N 3.03Å; C706-V708 HydrophobicContact CB-CG2 4.2Å; C706-V708 PolarHBondContact O-N 2.89Å; C706-G713 PolarHBondContact SG-O 2.94Å; C706-G713 VanDerWaalsContact SG-O 3.39Å; C706-T715 WeakPolarHBondContact CB-OG1 3.07Å; C706-T715 PolarHBondContact SG-OG1 2.85Å; C706-T715 VanDerWaalsContact SG-OG1 3.42Å; C706-C716 WeakPolarHBondContact CA-SG 3.34Å; C706-C716 HydrophobicContact CB-CB 3.68Å; C706-C716 WeakPolarHBondContact CB-SG 3.45Å; C706-C716 WeakPolarHBondContact SG-CB 3.44Å; C706-C716 PolarHBondContact SG-N 3.43Å; C706-C716 CovalentContact SG-SG 2.03Å; C706-C716 PolarHBondContact SG-SG 2.99Å
707	R	86.4	Confident	86.4	Confident	74 Å²	74	64.4 Å²	64.4	28%	0.279	37%	0.372	S	S	.	.	S	Bend	trans	58.4	25.5	-171.4	-53.1	-160.3	73.3	-158.1	-3.3	114.3	E703 D704 V743 H744 L802 G803	E703-R707 IonicContact OE1-CZ 2.81Å; E703-R707 IonicContact OE1-NE 2.98Å; E703-R707 IonicContact OE1-NH2 2.74Å; E703-R707 PolarHBondContact OE1-NH2 3.11Å; E703-R707 IonicContact OE2-CZ 3.31Å; E703-R707 IonicContact OE2-NE 3.92Å; E703-R707 PolarHBondContact OE2-NE 3.49Å; E703-R707 IonicContact OE2-NH2 2.66Å; E703-R707 PolarHBondContact OE2-NH2 2.77Å; D704-R707 PolarHBondContact O-N 2.98Å; D704-R707 PolarHBondContact OD1-N 3.49Å; D704-R707 VanDerWaalsContact OD1-N 3.07Å; R707-V743 HydrophobicContact CB-CG1 4.29Å; R707-V743 HydrophobicContact CG-CB 3.91Å; R707-V743 HydrophobicContact CG-CG1 3.95Å; R707-V743 HydrophobicContact CG-CG2 4.24Å; R707-H744 WeakPolarHBondContact CG-NE2 3.3Å; R707-L802 WeakPolarHBondContact CD-O 3.41Å; R707-G803 PolarHBondContact NH1-O 2.86Å
708	V	87.7	Confident	86.6	Confident	60 Å²	60	64.6 Å²	64.6	36%	0.364	38%	0.38	S	S	.	.			trans	-86.7	123.3	168.4	-177.7	0	0	0	0	108.6	D704 C706 G710 G711 T715	D704-V708 PolarHBondContact N-O 3.27Å; D704-V708 PolarHBondContact OD1-N 2.93Å; C706-V708 HydrophobicContact CB-CG2 4.2Å; C706-V708 PolarHBondContact O-N 2.89Å; V708-G710 PolarHBondContact O-N 3.05Å; V708-G711 PolarHBondContact O-N 3.23Å; V708-T715 HydrophobicContact CG2-CG2 4.44Å
709	C	87	Confident	87	Confident	53 Å²	53	65.3 Å²	65.3	36%	0.358	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-64.8	121.2	177.1	-178.6	0	0	0	0	111.1	C693 D694 G711	C693-C709 HydrophobicContact CB-CB 3.59Å; C693-C709 WeakPolarHBondContact CB-SG 3.4Å; C693-C709 PolarHBondContact O-SG 3.5Å; C693-C709 WeakPolarHBondContact SG-CA 3.3Å; C693-C709 WeakPolarHBondContact SG-CB 3.28Å; C693-C709 CovalentContact SG-SG 2.03Å; C693-C709 PolarHBondContact SG-SG 3.33Å; D694-C709 PolarHBondContact N-SG 3.33Å; C709-G711 PolarHBondContact O-N 2.84Å
710	G	84.6	Confident	87.4	Confident	66 Å²	66	70 Å²	70	68%	0.68	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	15.7	-176.8	0	0	0	0	0	114.6	R702 V708	R702-G710 PolarHBondContact O-N 3.35Å; V708-G710 PolarHBondContact O-N 3.05Å
711	G	83.7	Confident	87.7	Confident	30 Å²	30	64.8 Å²	64.8	31%	0.309	37%	0.365	S	S	.	.			trans	-72.7	168.4	178.3	0	0	0	0	0	114	D704 V708 C709	D704-G711 WeakPolarHBondContact CB-O 3.48Å; D704-G711 WeakPolarHBondContact OD2-CA 3.44Å; V708-G711 PolarHBondContact O-N 3.23Å; C709-G711 PolarHBondContact O-N 2.84Å
712	D	83.9	Confident	88.1	Confident	131 Å²	131	68.2 Å²	68.2	70%	0.701	38%	0.375	S	S	*	.			trans	-99.3	-1.2	178.1	68.7	-16.2	0	0	0	113.3	D704 S714	D704-D712 PolarHBondContact OD2-N 2.92Å; D712-S714 VanDerWaalsContact CG-OG 3.32Å; D712-S714 WeakPolarHBondContact OD1-CB 3.33Å; D712-S714 PolarHBondContact OD1-N 2.9Å; D712-S714 PolarHBondContact OD1-OG 2.96Å; D712-S714 WeakPolarHBondContact OD2-CB 3.18Å; D712-S714 PolarHBondContact OD2-OG 3.04Å
713	G	83.3	Confident	88.4	Confident	5 Å²	5	60.3 Å²	60.3	5%	0.052	35%	0.346	C	S	.	.	S	Bend	trans	81.4	8.3	-174.2	0	0	0	0	0	115.3	D704 R705 C706	D704-G713 VanDerWaalsContact OD2-CA 3.24Å; D704-G713 WeakPolarHBondContact OD2-CA 3.43Å; D704-G713 PolarHBondContact OD2-N 2.91Å; R705-G713 VanDerWaalsContact CZ-O 3.24Å; R705-G713 PolarHBondContact NE-O 2.9Å; R705-G713 PolarHBondContact NH2-O 3.34Å; C706-G713 PolarHBondContact SG-O 2.94Å; C706-G713 VanDerWaalsContact SG-O 3.39Å
714	S	82.8	Confident	88.4	Confident	72 Å²	72	60.9 Å²	60.9	50%	0.503	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.5	-176.3	65.4	0	0	0	0	115.4	D712 I830	D712-S714 VanDerWaalsContact CG-OG 3.32Å; D712-S714 WeakPolarHBondContact OD1-CB 3.33Å; D712-S714 PolarHBondContact OD1-N 2.9Å; D712-S714 PolarHBondContact OD1-OG 2.96Å; D712-S714 WeakPolarHBondContact OD2-CB 3.18Å; D712-S714 PolarHBondContact OD2-OG 3.04Å; S714-I830 WeakPolarHBondContact O-CD1 3.45Å
715	T	85.3	Confident	88.2	Confident	68 Å²	68	64.1 Å²	64.1	42%	0.417	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.9	-171.4	54.8	0	0	0	0	114.7	C706 V708 I830	C706-T715 WeakPolarHBondContact CB-OG1 3.07Å; C706-T715 PolarHBondContact SG-OG1 2.85Å; C706-T715 VanDerWaalsContact SG-OG1 3.42Å; V708-T715 HydrophobicContact CG2-CG2 4.44Å; T715-I830 PolarHBondContact O-N 3.24Å
716	C	88.9	Confident	87.5	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.02	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.4	-178.8	70.9	0	0	0	0	111.5	R705 C706 N827 V828	R705-C716 PolarHBondContact NH2-O 3.11Å; C706-C716 WeakPolarHBondContact CA-SG 3.34Å; C706-C716 HydrophobicContact CB-CB 3.68Å; C706-C716 WeakPolarHBondContact CB-SG 3.45Å; C706-C716 WeakPolarHBondContact SG-CB 3.44Å; C706-C716 PolarHBondContact SG-N 3.43Å; C706-C716 CovalentContact SG-SG 2.03Å; C706-C716 PolarHBondContact SG-SG 2.99Å; C716-N827 HydrophobicContact CB-CB 4.31Å; C716-V828 CarbonylContact C-O 3.57Å; C716-V828 WeakPolarHBondContact CA-O 3.25Å; C716-V828 VanDerWaalsContact CB-O 3.29Å; C716-V828 WeakPolarHBondContact CB-O 3.36Å
717	D	90.3	Very high	86.5	Confident	93 Å²	93	65.1 Å²	65.1	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.8	171.9	-80.9	-45	0	0	0	110.9	N827 V828 I830	D717-N827 CarbonylContact O-C 3.51Å; D717-N827 VanDerWaalsContact O-CA 3.27Å; D717-N827 WeakPolarHBondContact O-CA 3.02Å; D717-V828 PolarHBondContact N-O 2.95Å; D717-V828 PolarHBondContact O-N 3.49Å; D717-I830 HydrophobicContact CB-CG1 4.46Å; D717-I830 WeakPolarHBondContact OD2-CD1 3.11Å
718	A	90.3	Very high	85.8	Confident	49 Å²	49	66.4 Å²	66.4	41%	0.405	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.9	-179.1	0	0	0	0	0	110.7	N827	A718-N827 WeakPolarHBondContact CA-OD1 3.43Å; A718-N827 VanDerWaalsContact CB-OD1 3.26Å; A718-N827 WeakPolarHBondContact CB-OD1 3.32Å
719	I	93.3	Very high	85	Confident	70 Å²	70	71.7 Å²	71.7	36%	0.359	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.6	172.3	-58.9	-170.7	0	0	0	108.2	Y824 K825 F826 V828	I719-Y824 HydrophobicContact CG2-CE2 4.37Å; I719-K825 CarbonylContact O-C 3.59Å; I719-K825 VanDerWaalsContact O-CA 3.29Å; I719-K825 WeakPolarHBondContact O-CA 3.47Å; I719-F826 HydrophobicContact CB-CD2 4.41Å; I719-F826 HydrophobicContact CB-CE2 4.15Å; I719-F826 HydrophobicContact CB-CZ 4.23Å; I719-F826 HydrophobicContact CD1-CE2 3.94Å; I719-F826 HydrophobicContact CD1-CZ 4.32Å; I719-F826 HydrophobicContact CG1-CE2 4.45Å; I719-F826 HydrophobicContact CG2-CE1 4.25Å; I719-F826 HydrophobicContact CG2-CE2 4.4Å; I719-F826 HydrophobicContact CG2-CZ 3.99Å; I719-F826 PolarHBondContact N-O 3.06Å; I719-F826 PolarHBondContact O-N 3.41Å; I719-V828 HydrophobicContact CD1-CB 4.47Å; I719-V828 HydrophobicContact CD1-CG2 3.54Å; I719-V828 HydrophobicContact CG1-CG2 4.06Å
720	E	94.6	Very high	84.3	Confident	125 Å²	125	71.1 Å²	71.1	58%	0.584	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.7	170.3	-70.4	-174.5	-164.3	0	0	108.9	Y824 K825	E720-Y824 WeakPolarHBondContact CA-O 3.45Å; E720-K825 HydrophobicContact CG-CB 4.12Å; E720-K825 HydrophobicContact CG-CD 3.88Å; E720-K825 HydrophobicContact CG-CG 3.82Å; E720-K825 WeakPolarHBondContact OE1-CD 3.22Å; E720-K825 VanDerWaalsContact OE1-CE 3.24Å; E720-K825 WeakPolarHBondContact OE1-CE 3.39Å; E720-K825 IonicContact OE1-NZ 3.57Å; E720-K825 PolarHBondContact OE1-NZ 2.58Å
721	G	93.9	Very high	84.2	Confident	19 Å²	19	69 Å²	69	20%	0.196	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	173.3	-178.1	0	0	0	0	0	114.5	R823 Y824	G721-R823 WeakPolarHBondContact O-CA 3.49Å; G721-Y824 VanDerWaalsContact CA-CE2 3.47Å; G721-Y824 PolarHBondContact N-O 3.41Å; G721-Y824 PolarHBondContact O-N 2.83Å
722	F	94.4	Very high	84.4	Confident	101 Å²	101	69.2 Å²	69.2	44%	0.443	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	127.9	-171.1	-169.9	-106.3	0	0	0	110.3	N724 V750 I822	F722-N724 HydrophobicContact CD1-CB 4.17Å; F722-N724 HydrophobicContact CE1-CB 3.62Å; F722-N724 HydrophobicContact CZ-CB 4.35Å; F722-V750 HydrophobicContact CE2-CG2 3.49Å; F722-V750 VanDerWaalsContact CE2-CG2 3.49Å; F722-V750 HydrophobicContact CZ-CG2 4.04Å; F722-I822 WeakPolarHBondContact CA-O 3.44Å
723	F	92.3	Very high	84.7	Confident	20 Å²	20	65.7 Å²	65.7	9%	0.088	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	106.7	-175.8	178.7	-102.1	0	0	0	110.5	D725 L727 E734 V735 V813 N819 G821 I822 Y824	F723-D725 HydrophobicContact CE2-CB 3.93Å; F723-D725 HydrophobicContact CZ-CB 4.11Å; F723-L727 HydrophobicContact CE1-CD1 4.4Å; F723-L727 HydrophobicContact CE2-CD1 4.44Å; F723-L727 HydrophobicContact CZ-CD1 3.63Å; F723-E734 WeakPolarHBondContact CZ-O 3.33Å; F723-V735 HydrophobicContact CB-CG1 3.82Å; F723-V735 HydrophobicContact CD1-CB 4.36Å; F723-V735 HydrophobicContact CD1-CG1 4.05Å; F723-V735 HydrophobicContact CD1-CG2 3.93Å; F723-V735 HydrophobicContact CE1-CG2 4.01Å; F723-V735 HydrophobicContact CG-CB 4.46Å; F723-V735 HydrophobicContact CG-CG1 3.95Å; F723-V813 HydrophobicContact CE1-CG1 3.92Å; F723-N819 WeakPolarHBondContact CD1-ND2 3.16Å; F723-N819 PolarHBondContact O-ND2 3.3Å; F723-G821 WeakPolarHBondContact O-CA 3.39Å; F723-I822 HydrophobicContact CD1-CD1 4.5Å; F723-I822 PolarHBondContact N-O 3.17Å; F723-I822 PolarHBondContact O-N 3.1Å; F723-Y824 HydrophobicContact CB-CE1 4.49Å
724	N	89.2	Confident	85.1	Confident	88 Å²	88	69.7 Å²	69.7	47%	0.471	39%	0.391	S	S	.	.			trans	-128.2	22.2	-177.5	65.6	-33.3	0	0	0	113.2	F722 N819	F722-N724 HydrophobicContact CD1-CB 4.17Å; F722-N724 HydrophobicContact CE1-CB 3.62Å; F722-N724 HydrophobicContact CZ-CB 4.35Å; N724-N819 WeakPolarHBondContact CA-ND2 3.43Å
725	D	84.3	Confident	85.6	Confident	88 Å²	88	66.8 Å²	66.8	47%	0.471	37%	0.37	S	S	.	.			trans	-61.9	139.4	-175.8	-77.8	-20.1	0	0	0	112.8	F723 L727	F723-D725 HydrophobicContact CE2-CB 3.93Å; F723-D725 HydrophobicContact CZ-CB 4.11Å; D725-L727 HydrophobicContact CB-CD1 3.76Å; D725-L727 HydrophobicContact CB-CG 3.93Å; D725-L727 PolarHBondContact O-N 2.91Å
726	S	71.5	Confident	86	Confident	100 Å²	100	64.5 Å²	64.5	70%	0.699	36%	0.356	S	S	*	.			trans	-90.3	95.3	-177.8	-68.9	0	0	0	0	110.6	Q818	S726-Q818 PolarHBondContact OG-NE2 2.81Å
727	L	69.2	Low	86.3	Confident	52 Å²	52	70 Å²	70	27%	0.272	38%	0.381	S	S	.	.			trans	-118.8	161.1	-165.6	-66.4	165.3	0	0	0	112.7	F723 D725 M733 L815	F723-L727 HydrophobicContact CE1-CD1 4.4Å; F723-L727 HydrophobicContact CE2-CD1 4.44Å; F723-L727 HydrophobicContact CZ-CD1 3.63Å; D725-L727 HydrophobicContact CB-CD1 3.76Å; D725-L727 HydrophobicContact CB-CG 3.93Å; D725-L727 PolarHBondContact O-N 2.91Å; L727-M733 HydrophobicContact CB-CG 4.23Å; L727-M733 HydrophobicContact CD1-CB 3.97Å; L727-M733 HydrophobicContact CD1-CE 4.04Å; L727-M733 HydrophobicContact CD1-CG 3.83Å; L727-M733 HydrophobicContact CD2-CE 4.18Å; L727-L815 HydrophobicContact CB-CD1 3.65Å; L727-L815 HydrophobicContact CD1-CD1 4.48Å
728	P	72.1	Confident	86.5	Confident	102 Å²	102	65.6 Å²	65.6	66%	0.662	36%	0.358	S	S	*	.			trans	-62	138.5	179.4	-21.6	34	0	0	0	112.4
729	R	70.6	Confident	86.6	Confident	170 Å²	170	65.5 Å²	65.5	64%	0.642	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	149.3	176	-66.1	-173.6	-176.5	-168.8	1.5	111.8
730	G	71.1	Confident	86.5	Confident	41 Å²	41	70.2 Å²	70.2	42%	0.423	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	19.5	172.1	0	0	0	0	0	115	W772 L815	G730-W772 VanDerWaalsContact O-CH2 3.25Å; G730-W772 WeakPolarHBondContact O-CH2 3.39Å; G730-W772 WeakPolarHBondContact O-CZ3 3.39Å; G730-L815 PolarHBondContact N-O 2.98Å
731	G	83.4	Confident	86.3	Confident	21 Å²	21	65.2 Å²	65.2	22%	0.216	35%	0.348	C	S	.	.	S	Bend	trans	-130.2	161.8	175.1	0	0	0	0	0	112.8	L815	G731-L815 PolarHBondContact O-N 2.81Å
732	Y	88.2	Confident	86.3	Confident	35 Å²	35	64.3 Å²	64.3	14%	0.137	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.6	164.8	-73.3	-92.8	0	0	0	109.2	A758 Y766 N769 W772 M812 V813 L814	Y732-A758 HydrophobicContact CD1-CB 4.21Å; Y732-A758 HydrophobicContact CE1-CB 3.85Å; Y732-Y766 AromaticContact CD1-CE1 3.92Å; Y732-Y766 HydrophobicContact CD1-CE1 3.92Å; Y732-Y766 AromaticContact CE1-CE1 3.96Å; Y732-Y766 HydrophobicContact CE1-CE1 3.96Å; Y732-Y766 HydrophobicContact CG-CE1 4.41Å; Y732-N769 WeakPolarHBondContact CE1-O 3.48Å; Y732-N769 PolarHBondContact OH-O 3.24Å; Y732-W772 HydrophobicContact CE2-CD2 4.37Å; Y732-W772 HydrophobicContact CE2-CE3 4.3Å; Y732-W772 PolarHBondContact OH-N 3.12Å; Y732-M812 HydrophobicContact CD1-CB 4.31Å; Y732-V813 CarbonylContact C-O 3.57Å; Y732-V813 WeakPolarHBondContact CA-O 3.38Å; Y732-L814 HydrophobicContact CD1-CB 3.97Å; Y732-L814 HydrophobicContact CD2-CD1 4.01Å; Y732-L814 HydrophobicContact CE1-CB 3.79Å; Y732-L814 HydrophobicContact CE1-CG 4.5Å; Y732-L814 HydrophobicContact CE2-CD1 3.91Å; Y732-L814 HydrophobicContact CE2-CD2 4.45Å; Y732-L814 HydrophobicContact CG-CB 4.49Å; Y732-L814 HydrophobicContact CG-CD1 4.38Å
733	M	89.6	Confident	86.2	Confident	58 Å²	58	59.8 Å²	59.8	29%	0.286	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.1	178	-58.2	-54.6	-46.6	0	0	110.3	L727 M812 V813 L815	L727-M733 HydrophobicContact CB-CG 4.23Å; L727-M733 HydrophobicContact CD1-CB 3.97Å; L727-M733 HydrophobicContact CD1-CE 4.04Å; L727-M733 HydrophobicContact CD1-CG 3.83Å; L727-M733 HydrophobicContact CD2-CE 4.18Å; M733-M812 CarbonylContact O-C 3.49Å; M733-M812 VanDerWaalsContact O-CA 3.24Å; M733-M812 WeakPolarHBondContact O-CA 3.46Å; M733-V813 HydrophobicContact CB-CG1 4.23Å; M733-V813 PolarHBondContact N-O 2.75Å; M733-V813 PolarHBondContact O-N 3.16Å; M733-L815 HydrophobicContact CG-CD1 3.72Å; M733-L815 HydrophobicContact CG-CG 4.35Å
734	E	91.6	Very high	86.3	Confident	88 Å²	88	61.9 Å²	61.9	41%	0.411	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.4	176.8	-171.8	169.7	151	0	0	111	F723 Q737 I810 M812	F723-E734 WeakPolarHBondContact CZ-O 3.33Å; E734-Q737 WeakPolarHBondContact OE1-CG 3.46Å; E734-Q737 PolarHBondContact OE1-NE2 3.5Å; E734-I810 HydrophobicContact CG-CG2 3.67Å; E734-M812 HydrophobicContact CB-CE 4.34Å; E734-M812 HydrophobicContact CB-SD 3.91Å; E734-M812 HydrophobicContact CG-SD 4.23Å
735	V	92.8	Very high	86.6	Confident	12 Å²	12	57.9 Å²	57.9	7%	0.073	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-50.5	-176.1	178.9	0	0	0	0	110.9	F723 I811 V813 I822 Y824	F723-V735 HydrophobicContact CB-CG1 3.82Å; F723-V735 HydrophobicContact CD1-CB 4.36Å; F723-V735 HydrophobicContact CD1-CG1 4.05Å; F723-V735 HydrophobicContact CD1-CG2 3.93Å; F723-V735 HydrophobicContact CE1-CG2 4.01Å; F723-V735 HydrophobicContact CG-CB 4.46Å; F723-V735 HydrophobicContact CG-CG1 3.95Å; V735-I811 HydrophobicContact CB-CB 4.26Å; V735-I811 HydrophobicContact CB-CG2 3.87Å; V735-I811 WeakPolarHBondContact CB-O 3.33Å; V735-I811 HydrophobicContact CG1-CG2 4.24Å; V735-I811 HydrophobicContact CG2-CG2 4.24Å; V735-I811 PolarHBondContact N-O 2.92Å; V735-V813 HydrophobicContact CG2-CB 3.95Å; V735-V813 HydrophobicContact CG2-CG1 3.67Å; V735-I822 HydrophobicContact CG1-CB 4.47Å; V735-I822 HydrophobicContact CG1-CG2 4.21Å; V735-I822 HydrophobicContact CG2-CD1 4.11Å; V735-Y824 HydrophobicContact CG1-CD1 4.01Å; V735-Y824 HydrophobicContact CG1-CE1 4.24Å
736	V	94.6	Very high	87.1	Confident	19 Å²	19	57.7 Å²	57.7	12%	0.115	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	149.1	177.8	65.7	0	0	0	0	110.9	I811 Y824 F826	V736-I811 HydrophobicContact CG1-CB 3.94Å; V736-I811 HydrophobicContact CG1-CG1 3.85Å; V736-I811 PolarHBondContact O-N 2.94Å; V736-Y824 HydrophobicContact CB-CD1 4.05Å; V736-Y824 HydrophobicContact CB-CD2 4.27Å; V736-Y824 HydrophobicContact CB-CE1 3.8Å; V736-Y824 HydrophobicContact CB-CE2 4.05Å; V736-Y824 HydrophobicContact CB-CG 4.27Å; V736-Y824 HydrophobicContact CG1-CD1 3.85Å; V736-Y824 HydrophobicContact CG1-CD2 4.07Å; V736-Y824 HydrophobicContact CG1-CE1 4.14Å; V736-Y824 HydrophobicContact CG1-CE2 4.36Å; V736-Y824 HydrophobicContact CG1-CG 3.79Å; V736-Y824 HydrophobicContact CG2-CD2 4.1Å; V736-Y824 HydrophobicContact CG2-CE1 4.29Å; V736-Y824 HydrophobicContact CG2-CE2 3.67Å; V736-F826 HydrophobicContact CG1-CE1 4.19Å; V736-F826 HydrophobicContact CG2-CE1 3.74Å; V736-F826 HydrophobicContact CG2-CZ 3.8Å
737	Q	94.3	Very high	88.3	Confident	118 Å²	118	53 Å²	53	55%	0.551	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.4	169.3	-56.3	-174.4	0	0	0	109.9	E734 L809 I810 F826	E734-Q737 WeakPolarHBondContact OE1-CG 3.46Å; E734-Q737 PolarHBondContact OE1-NE2 3.5Å; Q737-L809 CarbonylContact C-O 3.54Å; Q737-L809 WeakPolarHBondContact CA-O 3.48Å; Q737-I810 HydrophobicContact CG-CG1 4.41Å; Q737-F826 WeakPolarHBondContact O-CZ 3.29Å
738	I	94.4	Very high	89.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109	178.2	-61.5	176.3	0	0	0	107.4	I745 L809 I811 F826	I738-I745 HydrophobicContact CD1-CD1 4.38Å; I738-I745 HydrophobicContact CD1-CG1 4.35Å; I738-I745 HydrophobicContact CD1-CG2 3.64Å; I738-I745 HydrophobicContact CG2-CD1 3.82Å; I738-I745 HydrophobicContact CG2-CG1 4.16Å; I738-L809 HydrophobicContact CB-CB 4.3Å; I738-L809 PolarHBondContact N-O 3.47Å; I738-L809 PolarHBondContact O-N 3Å; I738-I811 HydrophobicContact CD1-CD1 3.75Å; I738-I811 HydrophobicContact CD1-CG1 3.63Å; I738-I811 HydrophobicContact CG1-CG1 4.16Å; I738-F826 HydrophobicContact CG1-CD1 4.09Å; I738-F826 HydrophobicContact CG1-CE1 3.97Å; I738-F826 HydrophobicContact CG1-CE2 4.46Å; I738-F826 HydrophobicContact CG1-CG 4.42Å; I738-F826 HydrophobicContact CG1-CZ 4.16Å; I738-F826 HydrophobicContact CG2-CD2 4.3Å
739	P	93.4	Very high	90.5	Very high	48 Å²	48	49.7 Å²	49.7	31%	0.312	24%	0.242	S	C	.	.			trans	-62.9	154.9	-180	-23.8	34.7	0	0	0	113.1	G741 S742 T805 V828	P739-G741 PolarHBondContact O-N 2.89Å; P739-S742 VanDerWaalsContact O-CB 3.32Å; P739-S742 WeakPolarHBondContact O-CB 3.23Å; P739-S742 PolarHBondContact O-N 2.84Å; P739-S742 PolarHBondContact O-OG 3.25Å; P739-T805 PolarHBondContact O-OG1 2.64Å; P739-T805 VanDerWaalsContact O-OG1 3.04Å; P739-V828 HydrophobicContact CB-CG1 4.15Å; P739-V828 HydrophobicContact CG-CG1 4.05Å; P739-V828 HydrophobicContact CG-CG2 4.19Å
740	R	91.9	Very high	91.6	Very high	169 Å²	169	45.3 Å²	45.3	64%	0.638	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	135.5	167.5	179.7	175.3	-174.3	-137.3	-5.9	111.8	T805 S806 E807 N808	R740-T805 WeakPolarHBondContact CA-OG1 3.35Å; R740-S806 VanDerWaalsContact CD-O 3.26Å; R740-S806 WeakPolarHBondContact CD-O 3.06Å; R740-S806 WeakPolarHBondContact CG-O 3.05Å; R740-S806 PolarHBondContact NE-O 2.8Å; R740-E807 WeakPolarHBondContact CA-O 3.1Å; R740-N808 WeakPolarHBondContact CB-OD1 3.33Å; R740-N808 PolarHBondContact N-OD1 3.39Å
741	G	89.9	Confident	92.4	Very high	20 Å²	20	45.1 Å²	45.1	21%	0.206	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-0.9	179.5	0	0	0	0	0	114.8	P739 T805 P829	P739-G741 PolarHBondContact O-N 2.89Å; G741-T805 WeakPolarHBondContact CA-O 3.23Å; G741-T805 PolarHBondContact N-O 2.55Å; G741-T805 PolarHBondContact N-OG1 3.02Å; G741-P829 WeakPolarHBondContact O-CD 3.37Å
742	S	93.4	Very high	92.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.			trans	-65.4	143.8	-179.2	-60.2	0	0	0	0	112.6	P739 P804 T805 N827	P739-S742 VanDerWaalsContact O-CB 3.32Å; P739-S742 WeakPolarHBondContact O-CB 3.23Å; P739-S742 PolarHBondContact O-N 2.84Å; P739-S742 PolarHBondContact O-OG 3.25Å; S742-P804 WeakPolarHBondContact O-CA 3.47Å; S742-T805 PolarHBondContact N-OG1 2.89Å; S742-T805 PolarHBondContact O-N 3.29Å; S742-N827 CarbonylContact C-O 3.59Å; S742-N827 WeakPolarHBondContact CA-O 3.34Å
743	V	93.1	Very high	92.8	Very high	6 Å²	6	48 Å²	48	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	162.2	-177.8	-64.5	0	0	0	0	112.1	R707 I745 L802 P804 N827	R707-V743 HydrophobicContact CB-CG1 4.29Å; R707-V743 HydrophobicContact CG-CB 3.91Å; R707-V743 HydrophobicContact CG-CG1 3.95Å; R707-V743 HydrophobicContact CG-CG2 4.24Å; V743-I745 PolarHBondContact O-N 3.37Å; V743-L802 CarbonylContact C-O 3.19Å; V743-L802 VanDerWaalsContact CA-O 3.27Å; V743-L802 WeakPolarHBondContact CA-O 3.45Å; V743-L802 VanDerWaalsContact CB-O 3.31Å; V743-L802 WeakPolarHBondContact CB-O 3.47Å; V743-P804 HydrophobicContact CG1-CB 3.93Å; V743-N827 HydrophobicContact CG2-CB 3.99Å; V743-N827 PolarHBondContact N-O 3.45Å; V743-N827 PolarHBondContact O-N 3.5Å
744	H	93	Very high	92.7	Very high	63 Å²	63	51.4 Å²	51.4	29%	0.292	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.7	52.4	-178.3	-62.8	-75	0	0	0	113.6	R705 R707 L802	R705-H744 PolarHBondContact O-CD2 3Å; R707-H744 WeakPolarHBondContact CG-NE2 3.3Å; H744-L802 PolarHBondContact N-O 3.06Å
745	I	95.3	Very high	92.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.5	176.2	-61	158	0	0	0	109.2	I738 V743 V747 F787 E800 A801 T805 K825 F826	I738-I745 HydrophobicContact CD1-CD1 4.38Å; I738-I745 HydrophobicContact CD1-CG1 4.35Å; I738-I745 HydrophobicContact CD1-CG2 3.64Å; I738-I745 HydrophobicContact CG2-CD1 3.82Å; I738-I745 HydrophobicContact CG2-CG1 4.16Å; V743-I745 PolarHBondContact O-N 3.37Å; I745-V747 HydrophobicContact CG2-CG2 4.4Å; I745-F787 HydrophobicContact CD1-CE1 4.33Å; I745-F787 HydrophobicContact CD1-CZ 4.02Å; I745-F787 HydrophobicContact CG2-CE1 4.25Å; I745-E800 CarbonylContact O-C 3.5Å; I745-E800 VanDerWaalsContact O-CA 3.31Å; I745-E800 WeakPolarHBondContact O-CA 3.36Å; I745-A801 HydrophobicContact CB-CB 4.31Å; I745-A801 WeakPolarHBondContact CB-O 3.32Å; I745-A801 HydrophobicContact CD1-CB 4.38Å; I745-A801 PolarHBondContact N-O 2.82Å; I745-A801 PolarHBondContact O-N 2.98Å; I745-T805 HydrophobicContact CD1-CG2 3.67Å; I745-K825 CarbonylContact C-O 3.53Å; I745-K825 WeakPolarHBondContact CA-O 3.03Å; I745-F826 HydrophobicContact CB-CB 4.34Å; I745-F826 HydrophobicContact CG1-CB 3.77Å
746	E	96	Very high	92.6	Very high	85 Å²	85	49 Å²	49	40%	0.397	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.7	170.8	-178.7	-172.5	173.4	0	0	108.1	E800 Y824 K825	E746-E800 HydrophobicContact CG-CG 4.36Å; E746-Y824 CarbonylContact O-C 3.57Å; E746-Y824 VanDerWaalsContact O-CA 3.29Å; E746-Y824 WeakPolarHBondContact O-CA 3.48Å; E746-K825 HydrophobicContact CB-CB 4.48Å; E746-K825 PolarHBondContact N-O 3.01Å; E746-K825 PolarHBondContact O-N 2.93Å
747	V	96.5	Very high	92.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.7	170.1	-173.9	0	0	0	0	108.2	I745 I757 S798 L799 I811 I822 R823	I745-V747 HydrophobicContact CG2-CG2 4.4Å; V747-I757 HydrophobicContact CG1-CD1 4.08Å; V747-I757 HydrophobicContact CG1-CG2 4.37Å; V747-S798 CarbonylContact O-C 3.54Å; V747-S798 VanDerWaalsContact O-CA 3.29Å; V747-S798 WeakPolarHBondContact O-CA 3.31Å; V747-L799 HydrophobicContact CB-CB 4.42Å; V747-L799 PolarHBondContact N-O 2.95Å; V747-L799 PolarHBondContact O-N 3.44Å; V747-I811 HydrophobicContact CG1-CG2 4.08Å; V747-I811 HydrophobicContact CG2-CD1 4.01Å; V747-I811 HydrophobicContact CG2-CG1 4.14Å; V747-I822 HydrophobicContact CG1-CG2 3.56Å; V747-R823 WeakPolarHBondContact CA-O 3.45Å
748	R	95.1	Very high	92.6	Very high	76 Å²	76	42.6 Å²	42.6	29%	0.287	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	137.4	-173.3	-164.3	176.4	-176.2	159.2	10.6	113	E795 E797 R823	R748-E795 IonicContact CZ-OE2 2.71Å; R748-E795 IonicContact NH1-OE2 3.81Å; R748-E795 IonicContact NH2-OE2 3.19Å; R748-E795 PolarHBondContact NH2-OE2 3.34Å; R748-E797 WeakPolarHBondContact CA-O 3.4Å; R748-E797 WeakPolarHBondContact CG-O 3.32Å; R748-R823 PolarHBondContact N-O 3.17Å; R748-R823 PolarHBondContact O-N 3.43Å
749	E	93.3	Very high	92.6	Very high	9 Å²	9	42.5 Å²	42.5	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144.5	167.7	-72	-163.6	122.9	0	0	111.8	S753 I757 P796 E797	E749-S753 WeakPolarHBondContact OE1-CB 3.29Å; E749-S753 PolarHBondContact OE1-OG 3Å; E749-S753 PolarHBondContact OE2-N 2.84Å; E749-I757 HydrophobicContact CG-CD1 4.3Å; E749-P796 HydrophobicContact CB-CB 3.76Å; E749-P796 WeakPolarHBondContact O-CB 3.42Å; E749-E797 HydrophobicContact CG-CB 4.15Å; E749-E797 PolarHBondContact N-O 3.32Å
750	V	91.9	Very high	92.6	Very high	78 Å²	78	41.5 Å²	41.5	47%	0.473	20%	0.2	S	C	.	.	S	Bend	trans	-69.1	-35.3	175.2	172.1	0	0	0	0	112.3	F722 G821	F722-V750 HydrophobicContact CE2-CG2 3.49Å; F722-V750 VanDerWaalsContact CE2-CG2 3.49Å; F722-V750 HydrophobicContact CZ-CG2 4.04Å; V750-G821 WeakPolarHBondContact CB-O 3.22Å; V750-G821 VanDerWaalsContact CG2-O 3.27Å; V750-G821 WeakPolarHBondContact CG2-O 3.34Å; V750-G821 PolarHBondContact N-O 3.47Å
751	A	89.1	Confident	92.6	Very high	38 Å²	38	33.7 Å²	33.7	31%	0.314	17%	0.171	S	C	.	.	S	Bend	trans	-148.5	148.3	-177	0	0	0	0	0	108.4	S753 L820	A751-S753 PolarHBondContact O-N 2.77Å; A751-L820 HydrophobicContact CB-CD1 3.94Å
752	M	90	Very high	92.6	Very high	99 Å²	99	39.2 Å²	39.2	49%	0.488	19%	0.191	S	C	.	.			trans	-54.6	125.1	179.5	-62.2	168.9	73.2	0	0	111.1	T793 P796	M752-T793 WeakPolarHBondContact CE-O 3.44Å; M752-P796 HydrophobicContact CG-CG 4.35Å
753	S	89.6	Confident	92.1	Very high	16 Å²	16	42 Å²	42	11%	0.112	22%	0.221	C	C	.	.			trans	-132.4	176.2	175.6	97.2	0	0	0	0	113.3	E749 A751 N755 R791 E817	E749-S753 WeakPolarHBondContact OE1-CB 3.29Å; E749-S753 PolarHBondContact OE1-OG 3Å; E749-S753 PolarHBondContact OE2-N 2.84Å; A751-S753 PolarHBondContact O-N 2.77Å; S753-N755 VanDerWaalsContact C-N 3.33Å; S753-N755 VanDerWaalsContact OG-CB 3.25Å; S753-N755 WeakPolarHBondContact OG-CB 3.33Å; S753-N755 VanDerWaalsContact OG-CG 3.28Å; S753-N755 PolarHBondContact OG-N 2.95Å; S753-N755 PolarHBondContact OG-ND2 2.98Å; S753-R791 PolarHBondContact O-NH2 2.86Å; S753-E817 WeakPolarHBondContact CA-OE1 3.43Å
754	K	88.4	Confident	91.7	Very high	130 Å²	130	47.2 Å²	47.2	57%	0.565	25%	0.248	S	C	*	.	S	Bend	trans	-86.2	-1.1	170.5	-61.1	-175.3	-161.5	108.5	0	114	Y756 Q816 E817	K754-Y756 WeakPolarHBondContact O-CD2 3.46Å; K754-Y756 WeakPolarHBondContact O-CE2 3.4Å; K754-Q816 HydrophobicContact CB-CB 3.99Å; K754-Q816 WeakPolarHBondContact O-CB 3.49Å; K754-Q816 WeakPolarHBondContact O-CG 3.5Å; K754-E817 HydrophobicContact CB-CG 4.1Å; K754-E817 WeakPolarHBondContact CD-OE2 3.25Å; K754-E817 PolarHBondContact N-OE1 2.91Å; K754-E817 IonicContact NZ-OE2 2.7Å; K754-E817 PolarHBondContact NZ-OE2 3.15Å
755	N	90	Very high	91.5	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.263	C	S	.	.			trans	-73.3	168.2	175	-51.1	-42.9	0	0	0	110.4	S753 R791 V813 L814 L815 Q816 E817 Q818	S753-N755 VanDerWaalsContact C-N 3.33Å; S753-N755 VanDerWaalsContact OG-CB 3.25Å; S753-N755 WeakPolarHBondContact OG-CB 3.33Å; S753-N755 VanDerWaalsContact OG-CG 3.28Å; S753-N755 PolarHBondContact OG-N 2.95Å; S753-N755 PolarHBondContact OG-ND2 2.98Å; N755-R791 PolarHBondContact O-NH2 3.32Å; N755-V813 HydrophobicContact CB-CG2 3.9Å; N755-L814 VanDerWaalsContact CA-O 3.26Å; N755-L814 WeakPolarHBondContact CA-O 3.4Å; N755-L814 WeakPolarHBondContact CB-O 3.09Å; N755-L815 WeakPolarHBondContact OD1-CA 3.21Å; N755-Q816 PolarHBondContact OD1-N 3.5Å; N755-E817 PolarHBondContact OD1-N 3.4Å; N755-Q818 PolarHBondContact ND2-O 3.01Å
756	Y	92	Very high	91.3	Very high	50 Å²	50	53.2 Å²	53.2	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122	178	-62	-93.3	0	0	0	110.8	K754 I774 E797 V813 L814 Q816	K754-Y756 WeakPolarHBondContact O-CD2 3.46Å; K754-Y756 WeakPolarHBondContact O-CE2 3.4Å; Y756-I774 HydrophobicContact CD1-CD1 3.73Å; Y756-I774 HydrophobicContact CD1-CG1 4.27Å; Y756-I774 HydrophobicContact CD1-CG2 3.78Å; Y756-I774 HydrophobicContact CD2-CD1 3.67Å; Y756-I774 HydrophobicContact CD2-CG1 4.43Å; Y756-I774 HydrophobicContact CE1-CB 4.41Å; Y756-I774 HydrophobicContact CE1-CD1 4.02Å; Y756-I774 HydrophobicContact CE1-CG1 4.05Å; Y756-I774 HydrophobicContact CE1-CG2 3.47Å; Y756-I774 VanDerWaalsContact CE1-CG2 3.47Å; Y756-I774 HydrophobicContact CE2-CD1 3.98Å; Y756-I774 HydrophobicContact CE2-CG1 4.25Å; Y756-I774 HydrophobicContact CG-CD1 3.55Å; Y756-I774 HydrophobicContact CG-CG1 4.45Å; Y756-E797 WeakPolarHBondContact CA-OE2 3.29Å; Y756-V813 CarbonylContact O-C 3.55Å; Y756-V813 WeakPolarHBondContact O-CA 3.27Å; Y756-L814 HydrophobicContact CD2-CD2 4.37Å; Y756-L814 PolarHBondContact N-O 2.89Å; Y756-L814 VanDerWaalsContact N-O 3.17Å; Y756-L814 PolarHBondContact O-N 2.95Å; Y756-Q816 HydrophobicContact CD2-CG 4.43Å; Y756-Q816 HydrophobicContact CE2-CG 4.3Å
757	I	94	Very high	91.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	130.7	166.4	-65.2	163.1	0	0	0	108	V747 E749 N769 E797 L799 I811 M812 I822	V747-I757 HydrophobicContact CG1-CD1 4.08Å; V747-I757 HydrophobicContact CG1-CG2 4.37Å; E749-I757 HydrophobicContact CG-CD1 4.3Å; I757-N769 PolarHBondContact O-ND2 2.8Å; I757-E797 WeakPolarHBondContact CB-OE2 3.13Å; I757-E797 HydrophobicContact CD1-CB 4.48Å; I757-E797 HydrophobicContact CD1-CG 4.27Å; I757-E797 WeakPolarHBondContact CG1-OE2 3.28Å; I757-E797 PolarHBondContact N-OE2 3.28Å; I757-L799 HydrophobicContact CG2-CB 4.23Å; I757-L799 HydrophobicContact CG2-CD2 3.97Å; I757-I811 HydrophobicContact CG2-CG2 4.23Å; I757-M812 WeakPolarHBondContact CA-O 3.39Å; I757-I822 HydrophobicContact CG1-CD1 4.3Å
758	A	94.1	Very high	90.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.3	179.1	0	0	0	0	0	110.4	Y732 Y766 I768 N769 M812	Y732-A758 HydrophobicContact CD1-CB 4.21Å; Y732-A758 HydrophobicContact CE1-CB 3.85Å; A758-Y766 HydrophobicContact CB-CD1 4.45Å; A758-Y766 HydrophobicContact CB-CE1 4.49Å; A758-I768 VanDerWaalsContact CA-O 3.32Å; A758-I768 WeakPolarHBondContact CA-O 3.4Å; A758-I768 VanDerWaalsContact CB-O 3.31Å; A758-I768 WeakPolarHBondContact CB-O 3.36Å; A758-N769 HydrophobicContact CB-CB 3.83Å; A758-M812 HydrophobicContact CB-CB 4.13Å; A758-M812 PolarHBondContact N-O 2.78Å; A758-M812 PolarHBondContact O-N 2.78Å
759	L	95.2	Very high	90.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.3	-177.8	-174.7	67.5	0	0	0	109.7	Y767 I768 V782 F787 L799 L809 I811	L759-Y767 HydrophobicContact CG-CD2 4.28Å; L759-Y767 PolarHBondContact O-N 3.32Å; L759-I768 HydrophobicContact CB-CB 3.97Å; L759-I768 HydrophobicContact CB-CD1 4.01Å; L759-I768 HydrophobicContact CB-CG1 3.96Å; L759-I768 HydrophobicContact CD2-CD1 3.85Å; L759-I768 HydrophobicContact CD2-CG1 4.29Å; L759-I768 PolarHBondContact N-O 3.11Å; L759-I768 VanDerWaalsContact N-O 3.09Å; L759-I768 PolarHBondContact O-N 3.41Å; L759-V782 HydrophobicContact CD2-CG2 3.94Å; L759-F787 HydrophobicContact CD1-CE1 4.36Å; L759-F787 HydrophobicContact CD2-CD1 3.84Å; L759-F787 HydrophobicContact CD2-CD2 3.91Å; L759-F787 HydrophobicContact CD2-CE1 3.94Å; L759-F787 HydrophobicContact CD2-CE2 3.99Å; L759-F787 HydrophobicContact CD2-CG 3.83Å; L759-F787 HydrophobicContact CD2-CZ 4.02Å; L759-L799 HydrophobicContact CB-CD2 4.24Å; L759-L799 HydrophobicContact CD1-CD2 4.47Å; L759-L809 HydrophobicContact CD1-CB 4.14Å; L759-L809 HydrophobicContact CD1-CD1 4.23Å; L759-L809 HydrophobicContact CD1-CD2 4.42Å; L759-I811 HydrophobicContact CD1-CD1 3.65Å
760	K	93.3	Very high	90.3	Very high	26 Å²	26	48.4 Å²	48.4	11%	0.113	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.9	-169.1	-171	-165.8	164.3	-164	0	111	D764 D765 Y766 I810 M812	K760-D764 WeakPolarHBondContact CE-OD1 3.49Å; K760-D764 IonicContact NZ-OD1 2.63Å; K760-D764 PolarHBondContact NZ-OD1 3.16Å; K760-D765 CarbonylContact C-O 3.6Å; K760-D765 VanDerWaalsContact CA-O 3.3Å; K760-D765 WeakPolarHBondContact CA-O 2.98Å; K760-D765 VanDerWaalsContact CG-O 3.3Å; K760-D765 WeakPolarHBondContact CG-O 3.32Å; K760-Y766 HydrophobicContact CB-CD1 4.16Å; K760-Y766 HydrophobicContact CB-CE1 4.37Å; K760-Y766 HydrophobicContact CB-CG 4.45Å; K760-Y766 HydrophobicContact CD-CD2 4.43Å; K760-Y766 HydrophobicContact CD-CE1 4.17Å; K760-Y766 HydrophobicContact CD-CE2 4Å; K760-Y766 HydrophobicContact CG-CD1 4.22Å; K760-Y766 HydrophobicContact CG-CD2 4.14Å; K760-Y766 HydrophobicContact CG-CE1 4.3Å; K760-Y766 HydrophobicContact CG-CE2 4.22Å; K760-Y766 HydrophobicContact CG-CG 4.15Å; K760-I810 HydrophobicContact CB-CB 4.46Å; K760-I810 PolarHBondContact N-O 3.37Å; K760-I810 PolarHBondContact O-N 3.43Å; K760-M812 HydrophobicContact CB-CG 4.22Å; K760-M812 HydrophobicContact CD-CG 4.15Å; K760-M812 HydrophobicContact CD-SD 4.43Å
761	S	92.3	Very high	89.8	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	166.2	172.4	80.2	0	0	0	0	112.1	G763 D764 D765 Y767	S761-G763 PolarHBondContact O-N 3.07Å; S761-G763 WeakPolarHBondContact OG-CA 3.17Å; S761-G763 PolarHBondContact OG-N 3.48Å; S761-D764 PolarHBondContact O-N 3.17Å; S761-D765 PolarHBondContact N-O 3.39Å; S761-D765 PolarHBondContact OG-N 3.05Å; S761-Y767 WeakPolarHBondContact CB-OH 3.27Å
762	E	88.3	Confident	89.4	Confident	135 Å²	135	54.8 Å²	54.8	63%	0.631	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.5	166.9	-169	174.4	-178.3	0	0	112.4	D764 N808	E762-D764 VanDerWaalsContact C-N 3.31Å; E762-D764 PolarHBondContact O-N 2.55Å; E762-N808 HydrophobicContact CB-CB 4.37Å; E762-N808 WeakPolarHBondContact OE2-CB 3.28Å; E762-N808 PolarHBondContact OE2-ND2 2.86Å
763	G	84.6	Confident	89.1	Confident	60 Å²	60	54.3 Å²	54.3	62%	0.619	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	19.1	177.6	0	0	0	0	0	115.3	S761 D765	S761-G763 PolarHBondContact O-N 3.07Å; S761-G763 WeakPolarHBondContact OG-CA 3.17Å; S761-G763 PolarHBondContact OG-N 3.48Å; G763-D765 VanDerWaalsContact C-N 3.25Å; G763-D765 PolarHBondContact O-N 2.05Å
764	D	84.1	Confident	89.1	Confident	114 Å²	114	57 Å²	57	61%	0.61	30%	0.296	S	S	*	.	S	Bend	trans	69.5	-6.7	-176.8	-92.1	-6.7	0	0	0	118.1	K760 S761 E762	K760-D764 WeakPolarHBondContact CE-OD1 3.49Å; K760-D764 IonicContact NZ-OD1 2.63Å; K760-D764 PolarHBondContact NZ-OD1 3.16Å; S761-D764 PolarHBondContact O-N 3.17Å; E762-D764 VanDerWaalsContact C-N 3.31Å; E762-D764 PolarHBondContact O-N 2.55Å
765	D	88.5	Confident	89.1	Confident	113 Å²	113	52.9 Å²	52.9	60%	0.604	28%	0.28	S	S	*	.			trans	-70.1	135.6	176.1	-70.9	-52.5	0	0	0	112.9	K760 S761 G763	K760-D765 CarbonylContact C-O 3.6Å; K760-D765 VanDerWaalsContact CA-O 3.3Å; K760-D765 WeakPolarHBondContact CA-O 2.98Å; K760-D765 VanDerWaalsContact CG-O 3.3Å; K760-D765 WeakPolarHBondContact CG-O 3.32Å; S761-D765 PolarHBondContact N-O 3.39Å; S761-D765 PolarHBondContact OG-N 3.05Å; G763-D765 VanDerWaalsContact C-N 3.25Å; G763-D765 PolarHBondContact O-N 2.05Å
766	Y	90.9	Very high	88.8	Confident	81 Å²	81	63.4 Å²	63.4	32%	0.318	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131	173.9	-74.8	-103	0	0	0	111.6	Y732 A758 K760 G770 M812	Y732-Y766 AromaticContact CD1-CE1 3.92Å; Y732-Y766 HydrophobicContact CD1-CE1 3.92Å; Y732-Y766 AromaticContact CE1-CE1 3.96Å; Y732-Y766 HydrophobicContact CE1-CE1 3.96Å; Y732-Y766 HydrophobicContact CG-CE1 4.41Å; A758-Y766 HydrophobicContact CB-CD1 4.45Å; A758-Y766 HydrophobicContact CB-CE1 4.49Å; K760-Y766 HydrophobicContact CB-CD1 4.16Å; K760-Y766 HydrophobicContact CB-CE1 4.37Å; K760-Y766 HydrophobicContact CB-CG 4.45Å; K760-Y766 HydrophobicContact CD-CD2 4.43Å; K760-Y766 HydrophobicContact CD-CE1 4.17Å; K760-Y766 HydrophobicContact CD-CE2 4Å; K760-Y766 HydrophobicContact CG-CD1 4.22Å; K760-Y766 HydrophobicContact CG-CD2 4.14Å; K760-Y766 HydrophobicContact CG-CE1 4.3Å; K760-Y766 HydrophobicContact CG-CE2 4.22Å; K760-Y766 HydrophobicContact CG-CG 4.15Å; Y766-G770 VanDerWaalsContact CB-CA 3.47Å; Y766-M812 HydrophobicContact CE1-CG 4.38Å
767	Y	91.7	Very high	88.7	Confident	61 Å²	61	64.1 Å²	64.1	24%	0.239	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-30.1	177.7	-61	-64	0	0	0	114	L759 S761 V782 E807 L809	L759-Y767 HydrophobicContact CG-CD2 4.28Å; L759-Y767 PolarHBondContact O-N 3.32Å; S761-Y767 WeakPolarHBondContact CB-OH 3.27Å; Y767-V782 HydrophobicContact CD1-CB 4.11Å; Y767-V782 HydrophobicContact CD1-CG1 3.92Å; Y767-V782 HydrophobicContact CG-CB 4.19Å; Y767-V782 HydrophobicContact CG-CG1 4.22Å; Y767-V782 HydrophobicContact CG-CG2 4.4Å; Y767-E807 PolarHBondContact OH-OE2 2.87Å; Y767-L809 HydrophobicContact CD2-CD2 3.99Å; Y767-L809 HydrophobicContact CE2-CD2 3.57Å
768	I	92.8	Very high	88.3	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	132.8	-176.7	-50.8	179	0	0	0	108.8	A758 L759 G770 F780 F787 Y789 L799	A758-I768 VanDerWaalsContact CA-O 3.32Å; A758-I768 WeakPolarHBondContact CA-O 3.4Å; A758-I768 VanDerWaalsContact CB-O 3.31Å; A758-I768 WeakPolarHBondContact CB-O 3.36Å; L759-I768 HydrophobicContact CB-CB 3.97Å; L759-I768 HydrophobicContact CB-CD1 4.01Å; L759-I768 HydrophobicContact CB-CG1 3.96Å; L759-I768 HydrophobicContact CD2-CD1 3.85Å; L759-I768 HydrophobicContact CD2-CG1 4.29Å; L759-I768 PolarHBondContact N-O 3.11Å; L759-I768 VanDerWaalsContact N-O 3.09Å; L759-I768 PolarHBondContact O-N 3.41Å; I768-G770 VanDerWaalsContact C-N 3.34Å; I768-G770 PolarHBondContact O-N 3.29Å; I768-F780 HydrophobicContact CB-CE1 4.39Å; I768-F780 HydrophobicContact CD1-CB 4.17Å; I768-F780 HydrophobicContact CD1-CD1 4.23Å; I768-F780 HydrophobicContact CD1-CD2 3.96Å; I768-F780 HydrophobicContact CD1-CE2 4.38Å; I768-F780 HydrophobicContact CD1-CG 3.9Å; I768-F780 HydrophobicContact CG1-CB 4.43Å; I768-F780 HydrophobicContact CG1-CD1 3.68Å; I768-F780 HydrophobicContact CG1-CD2 4.24Å; I768-F780 HydrophobicContact CG1-CE1 3.83Å; I768-F780 HydrophobicContact CG1-CE2 4.41Å; I768-F780 HydrophobicContact CG1-CG 3.9Å; I768-F780 HydrophobicContact CG1-CZ 4.23Å; I768-F780 HydrophobicContact CG2-CE1 4.33Å; I768-F780 HydrophobicContact CG2-CE2 4.34Å; I768-F780 HydrophobicContact CG2-CZ 4.05Å; I768-F787 HydrophobicContact CD1-CB 4.09Å; I768-Y789 HydrophobicContact CG2-CD1 4.04Å; I768-Y789 HydrophobicContact CG2-CE1 4.42Å; I768-Y789 HydrophobicContact CG2-CG 4.09Å; I768-L799 HydrophobicContact CD1-CD1 3.67Å
769	N	90	Very high	87.8	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	37%	0.368	C	S	.	.	S	Bend	trans	55.4	43.1	177.4	-71.6	-29.3	0	0	0	113.5	Y732 I757 A758 T773 I774 D775 Y789	Y732-N769 WeakPolarHBondContact CE1-O 3.48Å; Y732-N769 PolarHBondContact OH-O 3.24Å; I757-N769 PolarHBondContact O-ND2 2.8Å; A758-N769 HydrophobicContact CB-CB 3.83Å; N769-T773 CarbonylContact C-O 3.54Å; N769-T773 VanDerWaalsContact C-O 3.29Å; N769-T773 WeakPolarHBondContact CA-O 3.33Å; N769-I774 WeakPolarHBondContact OD1-CA 3.32Å; N769-D775 PolarHBondContact N-OD2 2.7Å; N769-D775 PolarHBondContact OD1-N 2.83Å; N769-Y789 PolarHBondContact ND2-OH 2.88Å; N769-Y789 PolarHBondContact OD1-OH 2.82Å
770	G	86.8	Confident	87.5	Confident	7 Å²	7	73.7 Å²	73.7	7%	0.072	37%	0.369	C	S	.	.			trans	-94.1	165.2	-176	0	0	0	0	0	115.6	Y766 I768 W772 T773	Y766-G770 VanDerWaalsContact CB-CA 3.47Å; I768-G770 VanDerWaalsContact C-N 3.34Å; I768-G770 PolarHBondContact O-N 3.29Å; G770-W772 VanDerWaalsContact C-N 3.26Å; G770-W772 PolarHBondContact O-N 3.06Å; G770-W772 VanDerWaalsContact O-N 3.09Å; G770-T773 WeakPolarHBondContact O-CA 3.42Å; G770-T773 PolarHBondContact O-N 3.2Å; G770-T773 PolarHBondContact O-OG1 2.91Å
771	A	80.9	Confident	87.1	Confident	75 Å²	75	78.5 Å²	78.5	62%	0.62	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.2	166.4	0	0	0	0	0	115.9	T773	A771-T773 PolarHBondContact O-N 3.04Å
772	W	80.1	Confident	86.9	Confident	175 Å²	175	79.4 Å²	79.4	66%	0.663	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	13.3	-173.3	-43.7	95.1	0	0	0	115.2	G730 Y732 G770 L814	G730-W772 VanDerWaalsContact O-CH2 3.25Å; G730-W772 WeakPolarHBondContact O-CH2 3.39Å; G730-W772 WeakPolarHBondContact O-CZ3 3.39Å; Y732-W772 HydrophobicContact CE2-CD2 4.37Å; Y732-W772 HydrophobicContact CE2-CE3 4.3Å; Y732-W772 PolarHBondContact OH-N 3.12Å; G770-W772 VanDerWaalsContact C-N 3.26Å; G770-W772 PolarHBondContact O-N 3.06Å; G770-W772 VanDerWaalsContact O-N 3.09Å; W772-L814 HydrophobicContact CE3-CD1 4.27Å; W772-L814 HydrophobicContact CZ3-CD1 3.94Å
773	T	84.6	Confident	86.8	Confident	89 Å²	89	73.3 Å²	73.3	55%	0.546	37%	0.373	S	S	.	.			trans	-101.1	146.1	169.4	62.7	0	0	0	0	110.4	N769 G770 A771	N769-T773 CarbonylContact C-O 3.54Å; N769-T773 VanDerWaalsContact C-O 3.29Å; N769-T773 WeakPolarHBondContact CA-O 3.33Å; G770-T773 WeakPolarHBondContact O-CA 3.42Å; G770-T773 PolarHBondContact O-N 3.2Å; G770-T773 PolarHBondContact O-OG1 2.91Å; A771-T773 PolarHBondContact O-N 3.04Å
774	I	87.8	Confident	86.7	Confident	71 Å²	71	73.7 Å²	73.7	36%	0.364	38%	0.378	S	S	.	.			trans	-109.9	127.7	176.8	-59.1	-52.8	0	0	0	107.9	Y756 N769 L814	Y756-I774 HydrophobicContact CD1-CD1 3.73Å; Y756-I774 HydrophobicContact CD1-CG1 4.27Å; Y756-I774 HydrophobicContact CD1-CG2 3.78Å; Y756-I774 HydrophobicContact CD2-CD1 3.67Å; Y756-I774 HydrophobicContact CD2-CG1 4.43Å; Y756-I774 HydrophobicContact CE1-CB 4.41Å; Y756-I774 HydrophobicContact CE1-CD1 4.02Å; Y756-I774 HydrophobicContact CE1-CG1 4.05Å; Y756-I774 HydrophobicContact CE1-CG2 3.47Å; Y756-I774 VanDerWaalsContact CE1-CG2 3.47Å; Y756-I774 HydrophobicContact CE2-CD1 3.98Å; Y756-I774 HydrophobicContact CE2-CG1 4.25Å; Y756-I774 HydrophobicContact CG-CD1 3.55Å; Y756-I774 HydrophobicContact CG-CG1 4.45Å; N769-I774 WeakPolarHBondContact OD1-CA 3.32Å; I774-L814 HydrophobicContact CD1-CD2 4.2Å
775	D	88.8	Confident	86.9	Confident	44 Å²	44	69.3 Å²	69.3	24%	0.235	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-79.2	155.2	175.6	-85.3	-81	0	0	0	111.8	N769 R778 F780 Y789	N769-D775 PolarHBondContact N-OD2 2.7Å; N769-D775 PolarHBondContact OD1-N 2.83Å; D775-R778 IonicContact OD1-NH2 3.79Å; D775-F780 HydrophobicContact CB-CE1 4.4Å; D775-F780 HydrophobicContact CB-CZ 3.78Å; D775-Y789 HydrophobicContact CB-CE1 4.17Å; D775-Y789 WeakPolarHBondContact O-CE1 3.44Å
776	W	85.2	Confident	86.9	Confident	223 Å²	223	64.8 Å²	64.8	85%	0.845	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-78.7	139.9	167.6	-65.1	97.3	0	0	0	110.6	R778	W776-R778 WeakPolarHBondContact O-CG 3.45Å; W776-R778 PolarHBondContact O-N 2.82Å
777	P	88.6	Confident	86.9	Confident	64 Å²	64	61 Å²	61	42%	0.416	32%	0.319	S	S	.	.	S	Bend	trans	-54.4	120.5	176.4	-29.4	37.5	0	0	0	112.9	Y789 R791	P777-Y789 CarbonylContact C-O 3.59Å; P777-Y789 WeakPolarHBondContact CA-O 3.41Å; P777-Y789 WeakPolarHBondContact CB-O 3.46Å; P777-Y789 HydrophobicContact CG-CE1 4.39Å; P777-R791 HydrophobicContact CG-CB 3.76Å
778	R	85.4	Confident	87	Confident	132 Å²	132	61.1 Å²	61.1	50%	0.498	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	-179.1	-176.8	67.2	-179.7	176.3	88.9	-6.4	112	D775 W776 F780 Y789	D775-R778 IonicContact OD1-NH2 3.79Å; W776-R778 WeakPolarHBondContact O-CG 3.45Å; W776-R778 PolarHBondContact O-N 2.82Å; R778-F780 HydrophobicContact CB-CE2 4.44Å; R778-F780 HydrophobicContact CG-CD2 3.82Å; R778-F780 HydrophobicContact CG-CE2 3.27Å; R778-F780 HydrophobicContact CG-CZ 3.74Å; R778-F780 WeakPolarHBondContact O-CD2 3.29Å; R778-Y789 PolarHBondContact N-O 2.99Å; R778-Y789 VanDerWaalsContact N-O 3.15Å; R778-Y789 PolarHBondContact O-N 3.04Å; R778-Y789 VanDerWaalsContact O-N 3.08Å
779	K	84.6	Confident	87	Confident	66 Å²	66	61.4 Å²	61.4	29%	0.287	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140	167	-161.4	171.9	-173.8	171.9	0	110.5	D678 A786 F787 H788	D678-K779 IonicContact OD1-NZ 2.7Å; D678-K779 PolarHBondContact OD1-NZ 3.3Å; D678-K779 IonicContact OD2-NZ 2.77Å; D678-K779 PolarHBondContact OD2-NZ 3Å; K779-A786 HydrophobicContact CD-CB 4.23Å; K779-A786 HydrophobicContact CG-CB 4.05Å; K779-F787 CarbonylContact C-O 3.55Å; K779-F787 WeakPolarHBondContact CA-O 3.39Å; K779-H788 WeakPolarHBondContact CE-NE2 3.41Å
780	F	88	Confident	87.2	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.022	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	112.7	177.5	-67	-110.9	0	0	0	108.8	I768 D775 R778 V782 F787 Y789	I768-F780 HydrophobicContact CB-CE1 4.39Å; I768-F780 HydrophobicContact CD1-CB 4.17Å; I768-F780 HydrophobicContact CD1-CD1 4.23Å; I768-F780 HydrophobicContact CD1-CD2 3.96Å; I768-F780 HydrophobicContact CD1-CE2 4.38Å; I768-F780 HydrophobicContact CD1-CG 3.9Å; I768-F780 HydrophobicContact CG1-CB 4.43Å; I768-F780 HydrophobicContact CG1-CD1 3.68Å; I768-F780 HydrophobicContact CG1-CD2 4.24Å; I768-F780 HydrophobicContact CG1-CE1 3.83Å; I768-F780 HydrophobicContact CG1-CE2 4.41Å; I768-F780 HydrophobicContact CG1-CG 3.9Å; I768-F780 HydrophobicContact CG1-CZ 4.23Å; I768-F780 HydrophobicContact CG2-CE1 4.33Å; I768-F780 HydrophobicContact CG2-CE2 4.34Å; I768-F780 HydrophobicContact CG2-CZ 4.05Å; D775-F780 HydrophobicContact CB-CE1 4.4Å; D775-F780 HydrophobicContact CB-CZ 3.78Å; R778-F780 HydrophobicContact CB-CE2 4.44Å; R778-F780 HydrophobicContact CG-CD2 3.82Å; R778-F780 HydrophobicContact CG-CE2 3.27Å; R778-F780 HydrophobicContact CG-CZ 3.74Å; R778-F780 WeakPolarHBondContact O-CD2 3.29Å; F780-V782 HydrophobicContact CB-CG1 4.4Å; F780-V782 HydrophobicContact CB-CG2 4.37Å; F780-V782 PolarHBondContact O-N 3.43Å; F780-F787 HydrophobicContact CB-CB 4.35Å; F780-F787 PolarHBondContact N-O 2.85Å; F780-F787 PolarHBondContact O-N 3.11Å; F780-Y789 AromaticContact CE2-CD1 3.97Å; F780-Y789 HydrophobicContact CE2-CD1 3.97Å; F780-Y789 HydrophobicContact CE2-CG 4.43Å; F780-Y789 HydrophobicContact CZ-CD1 4.37Å
781	D	84.9	Confident	87.3	Confident	126 Å²	126	68.6 Å²	68.6	67%	0.674	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	94	177.5	-50.7	-67.8	0	0	0	108.8	T785 A786	D781-T785 WeakPolarHBondContact CA-O 3.43Å; D781-A786 WeakPolarHBondContact OD1-CB 3.48Å
782	V	87.8	Confident	87.6	Confident	26 Å²	26	67.6 Å²	67.6	16%	0.158	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.5	-171.7	-63.8	0	0	0	0	110.7	L759 Y767 F780 G784 T785 F787	L759-V782 HydrophobicContact CD2-CG2 3.94Å; Y767-V782 HydrophobicContact CD1-CB 4.11Å; Y767-V782 HydrophobicContact CD1-CG1 3.92Å; Y767-V782 HydrophobicContact CG-CB 4.19Å; Y767-V782 HydrophobicContact CG-CG1 4.22Å; Y767-V782 HydrophobicContact CG-CG2 4.4Å; F780-V782 HydrophobicContact CB-CG1 4.4Å; F780-V782 HydrophobicContact CB-CG2 4.37Å; F780-V782 PolarHBondContact O-N 3.43Å; V782-G784 VanDerWaalsContact C-N 3.25Å; V782-G784 PolarHBondContact O-N 3.42Å; V782-T785 PolarHBondContact N-O 2.96Å; V782-T785 PolarHBondContact O-N 2.86Å; V782-F787 HydrophobicContact CG2-CD2 3.55Å; V782-F787 HydrophobicContact CG2-CE2 4.15Å; V782-F787 HydrophobicContact CG2-CG 4.31Å
783	A	87.6	Confident	87.8	Confident	6 Å²	6	65.8 Å²	65.8	5%	0.05	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	45.1	-175.9	0	0	0	0	0	113.7	T785 T805 S806 E807 L809	A783-T785 PolarHBondContact O-N 3.06Å; A783-T785 VanDerWaalsContact O-N 3.11Å; A783-T805 CarbonylContact O-C 3.48Å; A783-T805 WeakPolarHBondContact O-CA 3.35Å; A783-S806 VanDerWaalsContact CA-OG 3.27Å; A783-S806 WeakPolarHBondContact CA-OG 3.47Å; A783-S806 PolarHBondContact O-N 2.83Å; A783-S806 PolarHBondContact O-OG 2.83Å; A783-E807 WeakPolarHBondContact CA-OE1 3.05Å; A783-E807 HydrophobicContact CB-CG 3.74Å; A783-L809 HydrophobicContact CB-CD1 3.78Å; A783-L809 HydrophobicContact CB-CD2 3.88Å; A783-L809 HydrophobicContact CB-CG 4.08Å
784	G	81.4	Confident	88	Confident	69 Å²	69	67.2 Å²	67.2	71%	0.711	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	1.1	174	0	0	0	0	0	115.8	V782 S806	V782-G784 VanDerWaalsContact C-N 3.25Å; V782-G784 PolarHBondContact O-N 3.42Å; G784-S806 PolarHBondContact N-OG 2.69Å
785	T	87.9	Confident	88	Confident	21 Å²	21	68.5 Å²	68.5	13%	0.129	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	173.1	179	-163.4	0	0	0	0	111.1	D781 V782 A783 F787 A801 G803 T805	D781-T785 WeakPolarHBondContact CA-O 3.43Å; V782-T785 PolarHBondContact N-O 2.96Å; V782-T785 PolarHBondContact O-N 2.86Å; A783-T785 PolarHBondContact O-N 3.06Å; A783-T785 VanDerWaalsContact O-N 3.11Å; T785-F787 HydrophobicContact CG2-CD2 3.92Å; T785-F787 HydrophobicContact CG2-CE2 3.46Å; T785-F787 VanDerWaalsContact CG2-CE2 3.46Å; T785-F787 HydrophobicContact CG2-CZ 4.2Å; T785-A801 HydrophobicContact CG2-CB 4.05Å; T785-G803 VanDerWaalsContact OG1-CA 3.28Å; T785-G803 WeakPolarHBondContact OG1-CA 3.18Å; T785-G803 PolarHBondContact OG1-N 3.28Å; T785-T805 HydrophobicContact CG2-CG2 4.27Å
786	A	88.4	Confident	88.1	Confident	19 Å²	19	67.6 Å²	67.6	16%	0.157	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.7	177.3	0	0	0	0	0	110.9	K779 D781 A801	K779-A786 HydrophobicContact CD-CB 4.23Å; K779-A786 HydrophobicContact CG-CB 4.05Å; D781-A786 WeakPolarHBondContact OD1-CB 3.48Å; A786-A801 WeakPolarHBondContact O-CA 3.36Å; A786-A801 WeakPolarHBondContact O-CB 3.32Å
787	F	92.7	Very high	88.6	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.5	172	-78.3	-93.6	0	0	0	110.6	I745 L759 I768 K779 F780 V782 T785 L799 E800 A801 T805 L809	I745-F787 HydrophobicContact CD1-CE1 4.33Å; I745-F787 HydrophobicContact CD1-CZ 4.02Å; I745-F787 HydrophobicContact CG2-CE1 4.25Å; L759-F787 HydrophobicContact CD1-CE1 4.36Å; L759-F787 HydrophobicContact CD2-CD1 3.84Å; L759-F787 HydrophobicContact CD2-CD2 3.91Å; L759-F787 HydrophobicContact CD2-CE1 3.94Å; L759-F787 HydrophobicContact CD2-CE2 3.99Å; L759-F787 HydrophobicContact CD2-CG 3.83Å; L759-F787 HydrophobicContact CD2-CZ 4.02Å; I768-F787 HydrophobicContact CD1-CB 4.09Å; K779-F787 CarbonylContact C-O 3.55Å; K779-F787 WeakPolarHBondContact CA-O 3.39Å; F780-F787 HydrophobicContact CB-CB 4.35Å; F780-F787 PolarHBondContact N-O 2.85Å; F780-F787 PolarHBondContact O-N 3.11Å; V782-F787 HydrophobicContact CG2-CD2 3.55Å; V782-F787 HydrophobicContact CG2-CE2 4.15Å; V782-F787 HydrophobicContact CG2-CG 4.31Å; T785-F787 HydrophobicContact CG2-CD2 3.92Å; T785-F787 HydrophobicContact CG2-CE2 3.46Å; T785-F787 VanDerWaalsContact CG2-CE2 3.46Å; T785-F787 HydrophobicContact CG2-CZ 4.2Å; F787-L799 HydrophobicContact CB-CD1 4.02Å; F787-L799 HydrophobicContact CD1-CD1 3.87Å; F787-L799 HydrophobicContact CD1-CD2 4.28Å; F787-L799 HydrophobicContact CD1-CG 3.95Å; F787-L799 HydrophobicContact CG-CD1 4.41Å; F787-E800 CarbonylContact C-O 3.58Å; F787-E800 WeakPolarHBondContact CA-O 3.31Å; F787-A801 HydrophobicContact CD1-CB 3.56Å; F787-A801 HydrophobicContact CD2-CB 4.04Å; F787-A801 HydrophobicContact CE1-CB 3.58Å; F787-A801 HydrophobicContact CE2-CB 4.06Å; F787-A801 HydrophobicContact CG-CB 3.81Å; F787-A801 HydrophobicContact CZ-CB 3.83Å; F787-T805 HydrophobicContact CZ-CG2 4.45Å; F787-L809 HydrophobicContact CE2-CD1 3.76Å; F787-L809 HydrophobicContact CZ-CD1 3.47Å; F787-L809 VanDerWaalsContact CZ-CD1 3.47Å
788	H	91.9	Very high	88.9	Confident	65 Å²	65	54.2 Å²	54.2	30%	0.301	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	98	176.4	-69.1	-118.3	0	0	0	108.3	K779 E800	K779-H788 WeakPolarHBondContact CE-NE2 3.41Å; H788-E800 PolarHBondContact N-O 3.38Å; H788-E800 PolarHBondContact O-N 2.98Å; H788-E800 VanDerWaalsContact O-N 3.08Å
789	Y	94.4	Very high	89.4	Confident	5 Å²	5	48 Å²	48	2%	0.02	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.3	176.1	167.6	-126.7	0	0	0	109.6	I768 N769 D775 P777 R778 F780 E797	I768-Y789 HydrophobicContact CG2-CD1 4.04Å; I768-Y789 HydrophobicContact CG2-CE1 4.42Å; I768-Y789 HydrophobicContact CG2-CG 4.09Å; N769-Y789 PolarHBondContact ND2-OH 2.88Å; N769-Y789 PolarHBondContact OD1-OH 2.82Å; D775-Y789 HydrophobicContact CB-CE1 4.17Å; D775-Y789 WeakPolarHBondContact O-CE1 3.44Å; P777-Y789 CarbonylContact C-O 3.59Å; P777-Y789 WeakPolarHBondContact CA-O 3.41Å; P777-Y789 WeakPolarHBondContact CB-O 3.46Å; P777-Y789 HydrophobicContact CG-CE1 4.39Å; R778-Y789 PolarHBondContact N-O 2.99Å; R778-Y789 VanDerWaalsContact N-O 3.15Å; R778-Y789 PolarHBondContact O-N 3.04Å; R778-Y789 VanDerWaalsContact O-N 3.08Å; F780-Y789 AromaticContact CE2-CD1 3.97Å; F780-Y789 HydrophobicContact CE2-CD1 3.97Å; F780-Y789 HydrophobicContact CE2-CG 4.43Å; F780-Y789 HydrophobicContact CZ-CD1 4.37Å; Y789-E797 HydrophobicContact CE2-CG 3.93Å; Y789-E797 PolarHBondContact OH-OE1 3.47Å
790	K	92.8	Very high	89.9	Confident	83 Å²	83	47.5 Å²	47.5	36%	0.361	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.7	-175.1	-52.2	178.5	-162.4	160.5	0	110.3	S798 E800	K790-S798 PolarHBondContact N-O 3.42Å; K790-S798 PolarHBondContact O-N 3.15Å; K790-E800 WeakPolarHBondContact CE-OE1 3.47Å; K790-E800 WeakPolarHBondContact CE-OE2 3.28Å; K790-E800 IonicContact NZ-OE1 3.24Å; K790-E800 PolarHBondContact NZ-OE1 2.97Å; K790-E800 IonicContact NZ-OE2 2.84Å; K790-E800 PolarHBondContact NZ-OE2 3Å
791	R	90.8	Very high	90.1	Very high	77 Å²	77	47.5 Å²	47.5	29%	0.291	27%	0.269	S	S	.	.			trans	-144.9	75.4	173.5	-155	174.7	-160.2	-99.3	-1	110.4	S753 N755 P777 E797	S753-R791 PolarHBondContact O-NH2 2.86Å; N755-R791 PolarHBondContact O-NH2 3.32Å; P777-R791 HydrophobicContact CG-CB 3.76Å; R791-E797 HydrophobicContact CB-CG 4.42Å; R791-E797 WeakPolarHBondContact CD-OE1 3.45Å; R791-E797 HydrophobicContact CG-CB 4.18Å; R791-E797 HydrophobicContact CG-CG 4.02Å; R791-E797 IonicContact CZ-OE1 3.95Å; R791-E797 IonicContact NE-OE1 3.32Å; R791-E797 PolarHBondContact NE-OE1 2.81Å
792	P	86.3	Confident	90.3	Very high	53 Å²	53	46 Å²	46	34%	0.344	26%	0.26	S	S	.	.			trans	-64.5	169.4	178.3	-21.6	37	0	0	0	112.2	D794 E795	P792-D794 PolarHBondContact O-N 3.34Å; P792-E795 HydrophobicContact CB-CB 4.13Å; P792-E795 HydrophobicContact CG-CB 3.98Å
793	T	83.8	Confident	90.3	Very high	137 Å²	137	44.9 Å²	44.9	84%	0.84	25%	0.254	S	S	*	.	S	Bend	trans	-79.1	-7.3	177.2	41.2	0	0	0	0	114.1	M752	M752-T793 WeakPolarHBondContact CE-O 3.44Å
794	D	88.2	Confident	90.4	Very high	119 Å²	119	48.2 Å²	48.2	64%	0.636	28%	0.275	S	S	*	.	S	Bend	trans	-143.6	-4.7	-162.4	51.8	-40.7	0	0	0	113.4	P792	P792-D794 PolarHBondContact O-N 3.34Å
795	E	88.8	Confident	90.9	Very high	98 Å²	98	45.2 Å²	45.2	46%	0.458	24%	0.243	S	C	.	.	S	Bend	trans	-123.3	153.1	171.6	-65.9	-163.6	-167.8	0	0	111.3	R748 P792	R748-E795 IonicContact CZ-OE2 2.71Å; R748-E795 IonicContact NH1-OE2 3.81Å; R748-E795 IonicContact NH2-OE2 3.19Å; R748-E795 PolarHBondContact NH2-OE2 3.34Å; P792-E795 HydrophobicContact CB-CB 4.13Å; P792-E795 HydrophobicContact CG-CB 3.98Å
796	P	91.5	Very high	90.9	Very high	25 Å²	25	46.9 Å²	46.9	16%	0.162	26%	0.256	C	S	.	.			trans	-61.5	153	170.9	-17.9	30.2	0	0	0	112.4	E749 M752	E749-P796 HydrophobicContact CB-CB 3.76Å; E749-P796 WeakPolarHBondContact O-CB 3.42Å; M752-P796 HydrophobicContact CG-CG 4.35Å
797	E	94.4	Very high	91.1	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	27%	0.265	C	S	.	.			trans	-59.7	138.2	179.5	-170.1	179.2	-114.4	0	0	112.1	R748 E749 Y756 I757 Y789 R791	R748-E797 WeakPolarHBondContact CA-O 3.4Å; R748-E797 WeakPolarHBondContact CG-O 3.32Å; E749-E797 HydrophobicContact CG-CB 4.15Å; E749-E797 PolarHBondContact N-O 3.32Å; Y756-E797 WeakPolarHBondContact CA-OE2 3.29Å; I757-E797 WeakPolarHBondContact CB-OE2 3.13Å; I757-E797 HydrophobicContact CD1-CB 4.48Å; I757-E797 HydrophobicContact CD1-CG 4.27Å; I757-E797 WeakPolarHBondContact CG1-OE2 3.28Å; I757-E797 PolarHBondContact N-OE2 3.28Å; Y789-E797 HydrophobicContact CE2-CG 3.93Å; Y789-E797 PolarHBondContact OH-OE1 3.47Å; R791-E797 HydrophobicContact CB-CG 4.42Å; R791-E797 WeakPolarHBondContact CD-OE1 3.45Å; R791-E797 HydrophobicContact CG-CB 4.18Å; R791-E797 HydrophobicContact CG-CG 4.02Å; R791-E797 IonicContact CZ-OE1 3.95Å; R791-E797 IonicContact NE-OE1 3.32Å; R791-E797 PolarHBondContact NE-OE1 2.81Å
798	S	95.1	Very high	91.1	Very high	5 Å²	5	52.7 Å²	52.7	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.8	175.3	82.7	0	0	0	0	113.6	V747 K790 E800	V747-S798 CarbonylContact O-C 3.54Å; V747-S798 VanDerWaalsContact O-CA 3.29Å; V747-S798 WeakPolarHBondContact O-CA 3.31Å; K790-S798 PolarHBondContact N-O 3.42Å; K790-S798 PolarHBondContact O-N 3.15Å; S798-E800 PolarHBondContact OG-OE1 2.82Å
799	L	95.9	Very high	91.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	114.8	174.7	179.9	65.4	0	0	0	108.4	V747 I757 L759 I768 F787 I811	V747-L799 HydrophobicContact CB-CB 4.42Å; V747-L799 PolarHBondContact N-O 2.95Å; V747-L799 PolarHBondContact O-N 3.44Å; I757-L799 HydrophobicContact CG2-CB 4.23Å; I757-L799 HydrophobicContact CG2-CD2 3.97Å; L759-L799 HydrophobicContact CB-CD2 4.24Å; L759-L799 HydrophobicContact CD1-CD2 4.47Å; I768-L799 HydrophobicContact CD1-CD1 3.67Å; F787-L799 HydrophobicContact CB-CD1 4.02Å; F787-L799 HydrophobicContact CD1-CD1 3.87Å; F787-L799 HydrophobicContact CD1-CD2 4.28Å; F787-L799 HydrophobicContact CD1-CG 3.95Å; F787-L799 HydrophobicContact CG-CD1 4.41Å; L799-I811 HydrophobicContact CD2-CD1 4.05Å
800	E	95.1	Very high	91.3	Very high	55 Å²	55	50.3 Å²	50.3	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.9	-172	-68.9	155.9	-129.3	0	0	111.3	I745 E746 F787 H788 K790 S798	I745-E800 CarbonylContact O-C 3.5Å; I745-E800 VanDerWaalsContact O-CA 3.31Å; I745-E800 WeakPolarHBondContact O-CA 3.36Å; E746-E800 HydrophobicContact CG-CG 4.36Å; F787-E800 CarbonylContact C-O 3.58Å; F787-E800 WeakPolarHBondContact CA-O 3.31Å; H788-E800 PolarHBondContact N-O 3.38Å; H788-E800 PolarHBondContact O-N 2.98Å; H788-E800 VanDerWaalsContact O-N 3.08Å; K790-E800 WeakPolarHBondContact CE-OE1 3.47Å; K790-E800 WeakPolarHBondContact CE-OE2 3.28Å; K790-E800 IonicContact NZ-OE1 3.24Å; K790-E800 PolarHBondContact NZ-OE1 2.97Å; K790-E800 IonicContact NZ-OE2 2.84Å; K790-E800 PolarHBondContact NZ-OE2 3Å; S798-E800 PolarHBondContact OG-OE1 2.82Å
801	A	92.8	Very high	91.4	Very high	5 Å²	5	46.3 Å²	46.3	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139.2	172.5	0	0	0	0	0	111.6	I745 T785 A786 F787	I745-A801 HydrophobicContact CB-CB 4.31Å; I745-A801 WeakPolarHBondContact CB-O 3.32Å; I745-A801 HydrophobicContact CD1-CB 4.38Å; I745-A801 PolarHBondContact N-O 2.82Å; I745-A801 PolarHBondContact O-N 2.98Å; T785-A801 HydrophobicContact CG2-CB 4.05Å; A786-A801 WeakPolarHBondContact O-CA 3.36Å; A786-A801 WeakPolarHBondContact O-CB 3.32Å; F787-A801 HydrophobicContact CD1-CB 3.56Å; F787-A801 HydrophobicContact CD2-CB 4.04Å; F787-A801 HydrophobicContact CE1-CB 3.58Å; F787-A801 HydrophobicContact CE2-CB 4.06Å; F787-A801 HydrophobicContact CG-CB 3.81Å; F787-A801 HydrophobicContact CZ-CB 3.83Å
802	L	89.6	Confident	91.5	Very high	94 Å²	94	43.3 Å²	43.3	49%	0.492	24%	0.243	S	C	.	.			trans	-76.7	-24.5	179	-64.9	176.2	0	0	0	113	R707 V743 H744	R707-L802 WeakPolarHBondContact CD-O 3.41Å; V743-L802 CarbonylContact C-O 3.19Å; V743-L802 VanDerWaalsContact CA-O 3.27Å; V743-L802 WeakPolarHBondContact CA-O 3.45Å; V743-L802 VanDerWaalsContact CB-O 3.31Å; V743-L802 WeakPolarHBondContact CB-O 3.47Å; H744-L802 PolarHBondContact N-O 3.06Å
803	G	86.5	Confident	91.8	Very high	4 Å²	4	40.8 Å²	40.8	4%	0.041	23%	0.227	C	C	.	.			trans	69.7	-170.8	-173.8	0	0	0	0	0	113.1	R707 T785	R707-G803 PolarHBondContact NH1-O 2.86Å; T785-G803 VanDerWaalsContact OG1-CA 3.28Å; T785-G803 WeakPolarHBondContact OG1-CA 3.18Å; T785-G803 PolarHBondContact OG1-N 3.28Å
804	P	90.3	Very high	92.1	Very high	76 Å²	76	34.5 Å²	34.5	49%	0.494	19%	0.188	S	C	.	.			cis	-72.2	148.6	-0.8	29.7	-35.5	0	0	0	112.8	S742 V743	S742-P804 WeakPolarHBondContact O-CA 3.47Å; V743-P804 HydrophobicContact CG1-CB 3.93Å
805	T	91.5	Very high	92.1	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.031	16%	0.158	C	C	.	.			trans	-75.7	140.4	173.9	53	0	0	0	0	112.2	P739 R740 G741 S742 I745 A783 T785 F787 L809	P739-T805 PolarHBondContact O-OG1 2.64Å; P739-T805 VanDerWaalsContact O-OG1 3.04Å; R740-T805 WeakPolarHBondContact CA-OG1 3.35Å; G741-T805 WeakPolarHBondContact CA-O 3.23Å; G741-T805 PolarHBondContact N-O 2.55Å; G741-T805 PolarHBondContact N-OG1 3.02Å; S742-T805 PolarHBondContact N-OG1 2.89Å; S742-T805 PolarHBondContact O-N 3.29Å; I745-T805 HydrophobicContact CD1-CG2 3.67Å; A783-T805 CarbonylContact O-C 3.48Å; A783-T805 WeakPolarHBondContact O-CA 3.35Å; T785-T805 HydrophobicContact CG2-CG2 4.27Å; F787-T805 HydrophobicContact CZ-CG2 4.45Å; T805-L809 HydrophobicContact CG2-CD1 3.79Å
806	S	89.1	Confident	92	Very high	56 Å²	56	28.6 Å²	28.6	39%	0.392	16%	0.157	S	C	.	.	S	Bend	trans	-80.5	-20.2	177.7	58.7	0	0	0	0	114.2	R740 A783 G784	R740-S806 VanDerWaalsContact CD-O 3.26Å; R740-S806 WeakPolarHBondContact CD-O 3.06Å; R740-S806 WeakPolarHBondContact CG-O 3.05Å; R740-S806 PolarHBondContact NE-O 2.8Å; A783-S806 VanDerWaalsContact CA-OG 3.27Å; A783-S806 WeakPolarHBondContact CA-OG 3.47Å; A783-S806 PolarHBondContact O-N 2.83Å; A783-S806 PolarHBondContact O-OG 2.83Å; G784-S806 PolarHBondContact N-OG 2.69Å
807	E	91.4	Very high	91.8	Very high	75 Å²	75	29.6 Å²	29.6	35%	0.35	16%	0.159	S	C	.	.	S	Bend	trans	-146	174.4	-175.2	66.5	-154.2	110.9	0	0	111.2	R740 Y767 A783	R740-E807 WeakPolarHBondContact CA-O 3.1Å; Y767-E807 PolarHBondContact OH-OE2 2.87Å; A783-E807 WeakPolarHBondContact CA-OE1 3.05Å; A783-E807 HydrophobicContact CB-CG 3.74Å
808	N	92.4	Very high	91.3	Very high	66 Å²	66	33.6 Å²	33.6	35%	0.353	18%	0.178	S	C	.	.			trans	-77.1	139	174.9	-65.5	-27.5	0	0	0	110.4	R740 E762	R740-N808 WeakPolarHBondContact CB-OD1 3.33Å; R740-N808 PolarHBondContact N-OD1 3.39Å; E762-N808 HydrophobicContact CB-CB 4.37Å; E762-N808 WeakPolarHBondContact OE2-CB 3.28Å; E762-N808 PolarHBondContact OE2-ND2 2.86Å
809	L	95.2	Very high	90.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.6	-178.6	-67.1	172.1	0	0	0	111.2	Q737 I738 L759 Y767 A783 F787 T805	Q737-L809 CarbonylContact C-O 3.54Å; Q737-L809 WeakPolarHBondContact CA-O 3.48Å; I738-L809 HydrophobicContact CB-CB 4.3Å; I738-L809 PolarHBondContact N-O 3.47Å; I738-L809 PolarHBondContact O-N 3Å; L759-L809 HydrophobicContact CD1-CB 4.14Å; L759-L809 HydrophobicContact CD1-CD1 4.23Å; L759-L809 HydrophobicContact CD1-CD2 4.42Å; Y767-L809 HydrophobicContact CD2-CD2 3.99Å; Y767-L809 HydrophobicContact CE2-CD2 3.57Å; A783-L809 HydrophobicContact CB-CD1 3.78Å; A783-L809 HydrophobicContact CB-CD2 3.88Å; A783-L809 HydrophobicContact CB-CG 4.08Å; F787-L809 HydrophobicContact CE2-CD1 3.76Å; F787-L809 HydrophobicContact CZ-CD1 3.47Å; F787-L809 VanDerWaalsContact CZ-CD1 3.47Å; T805-L809 HydrophobicContact CG2-CD1 3.79Å
810	I	95.6	Very high	90.6	Very high	19 Å²	19	38.3 Å²	38.3	10%	0.097	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.2	178.3	-52.2	176.7	0	0	0	108.2	E734 Q737 K760 M812	E734-I810 HydrophobicContact CG-CG2 3.67Å; Q737-I810 HydrophobicContact CG-CG1 4.41Å; K760-I810 HydrophobicContact CB-CB 4.46Å; K760-I810 PolarHBondContact N-O 3.37Å; K760-I810 PolarHBondContact O-N 3.43Å; I810-M812 HydrophobicContact CG2-CG 4.35Å; I810-M812 HydrophobicContact CG2-SD 3.64Å
811	I	95.3	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.2	170.7	-57.6	-66.4	0	0	0	108.1	V735 V736 I738 V747 I757 L759 L799	V735-I811 HydrophobicContact CB-CB 4.26Å; V735-I811 HydrophobicContact CB-CG2 3.87Å; V735-I811 WeakPolarHBondContact CB-O 3.33Å; V735-I811 HydrophobicContact CG1-CG2 4.24Å; V735-I811 HydrophobicContact CG2-CG2 4.24Å; V735-I811 PolarHBondContact N-O 2.92Å; V736-I811 HydrophobicContact CG1-CB 3.94Å; V736-I811 HydrophobicContact CG1-CG1 3.85Å; V736-I811 PolarHBondContact O-N 2.94Å; I738-I811 HydrophobicContact CD1-CD1 3.75Å; I738-I811 HydrophobicContact CD1-CG1 3.63Å; I738-I811 HydrophobicContact CG1-CG1 4.16Å; V747-I811 HydrophobicContact CG1-CG2 4.08Å; V747-I811 HydrophobicContact CG2-CD1 4.01Å; V747-I811 HydrophobicContact CG2-CG1 4.14Å; I757-I811 HydrophobicContact CG2-CG2 4.23Å; L759-I811 HydrophobicContact CD1-CD1 3.65Å; L799-I811 HydrophobicContact CD2-CD1 4.05Å
812	M	92.9	Very high	90.4	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.064	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	160.4	177	-56.3	-64.8	-65.4	0	0	109.9	Y732 M733 E734 I757 A758 K760 Y766 I810	Y732-M812 HydrophobicContact CD1-CB 4.31Å; M733-M812 CarbonylContact O-C 3.49Å; M733-M812 VanDerWaalsContact O-CA 3.24Å; M733-M812 WeakPolarHBondContact O-CA 3.46Å; E734-M812 HydrophobicContact CB-CE 4.34Å; E734-M812 HydrophobicContact CB-SD 3.91Å; E734-M812 HydrophobicContact CG-SD 4.23Å; I757-M812 WeakPolarHBondContact CA-O 3.39Å; A758-M812 HydrophobicContact CB-CB 4.13Å; A758-M812 PolarHBondContact N-O 2.78Å; A758-M812 PolarHBondContact O-N 2.78Å; K760-M812 HydrophobicContact CB-CG 4.22Å; K760-M812 HydrophobicContact CD-CG 4.15Å; K760-M812 HydrophobicContact CD-SD 4.43Å; Y766-M812 HydrophobicContact CE1-CG 4.38Å; I810-M812 HydrophobicContact CG2-CG 4.35Å; I810-M812 HydrophobicContact CG2-SD 3.64Å
813	V	92	Very high	90.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.6	166	61	0	0	0	0	111	F723 Y732 M733 V735 N755 Y756 L815 I822	F723-V813 HydrophobicContact CE1-CG1 3.92Å; Y732-V813 CarbonylContact C-O 3.57Å; Y732-V813 WeakPolarHBondContact CA-O 3.38Å; M733-V813 HydrophobicContact CB-CG1 4.23Å; M733-V813 PolarHBondContact N-O 2.75Å; M733-V813 PolarHBondContact O-N 3.16Å; V735-V813 HydrophobicContact CG2-CB 3.95Å; V735-V813 HydrophobicContact CG2-CG1 3.67Å; N755-V813 HydrophobicContact CB-CG2 3.9Å; Y756-V813 CarbonylContact O-C 3.55Å; Y756-V813 WeakPolarHBondContact O-CA 3.27Å; V813-L815 HydrophobicContact CG1-CD2 4.05Å; V813-L815 HydrophobicContact CG1-CG 4.34Å; V813-L815 HydrophobicContact CG2-CD2 4Å; V813-I822 HydrophobicContact CB-CD1 3.78Å; V813-I822 HydrophobicContact CG1-CD1 4.11Å; V813-I822 HydrophobicContact CG2-CD1 3.85Å
814	L	90.5	Very high	91.2	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110.2	170	176.6	60.1	0	0	0	109.8	Y732 N755 Y756 W772 I774 Q816	Y732-L814 HydrophobicContact CD1-CB 3.97Å; Y732-L814 HydrophobicContact CD2-CD1 4.01Å; Y732-L814 HydrophobicContact CE1-CB 3.79Å; Y732-L814 HydrophobicContact CE1-CG 4.5Å; Y732-L814 HydrophobicContact CE2-CD1 3.91Å; Y732-L814 HydrophobicContact CE2-CD2 4.45Å; Y732-L814 HydrophobicContact CG-CB 4.49Å; Y732-L814 HydrophobicContact CG-CD1 4.38Å; N755-L814 VanDerWaalsContact CA-O 3.26Å; N755-L814 WeakPolarHBondContact CA-O 3.4Å; N755-L814 WeakPolarHBondContact CB-O 3.09Å; Y756-L814 HydrophobicContact CD2-CD2 4.37Å; Y756-L814 PolarHBondContact N-O 2.89Å; Y756-L814 VanDerWaalsContact N-O 3.17Å; Y756-L814 PolarHBondContact O-N 2.95Å; W772-L814 HydrophobicContact CE3-CD1 4.27Å; W772-L814 HydrophobicContact CZ3-CD1 3.94Å; I774-L814 HydrophobicContact CD1-CD2 4.2Å; L814-Q816 PolarHBondContact O-N 3.11Å
815	L	88.1	Confident	91.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	19%	0.192	C	C	.	.			trans	-85.7	106.9	-175.9	-64.8	176.7	0	0	0	112.3	L727 G730 G731 M733 N755 V813 N819	L727-L815 HydrophobicContact CB-CD1 3.65Å; L727-L815 HydrophobicContact CD1-CD1 4.48Å; G730-L815 PolarHBondContact N-O 2.98Å; G731-L815 PolarHBondContact O-N 2.81Å; M733-L815 HydrophobicContact CG-CD1 3.72Å; M733-L815 HydrophobicContact CG-CG 4.35Å; N755-L815 WeakPolarHBondContact OD1-CA 3.21Å; V813-L815 HydrophobicContact CG1-CD2 4.05Å; V813-L815 HydrophobicContact CG1-CG 4.34Å; V813-L815 HydrophobicContact CG2-CD2 4Å; L815-N819 HydrophobicContact CD2-CB 4.05Å
816	Q	86.8	Confident	91.7	Very high	91 Å²	91	40.3 Å²	40.3	43%	0.425	19%	0.191	S	C	.	.	S	Bend	trans	-93.6	-31.3	171	-64.1	-62.7	-43.8	0	0	111.9	K754 N755 Y756 L814	K754-Q816 HydrophobicContact CB-CB 3.99Å; K754-Q816 WeakPolarHBondContact O-CB 3.49Å; K754-Q816 WeakPolarHBondContact O-CG 3.5Å; N755-Q816 PolarHBondContact OD1-N 3.5Å; Y756-Q816 HydrophobicContact CD2-CG 4.43Å; Y756-Q816 HydrophobicContact CE2-CG 4.3Å; L814-Q816 PolarHBondContact O-N 3.11Å
817	E	87.6	Confident	91.9	Very high	46 Å²	46	38 Å²	38	22%	0.215	18%	0.175	C	C	.	.	S	Bend	trans	-135.9	-156.6	176.2	62.4	-167.4	-174.4	0	0	111.5	S753 K754 N755	S753-E817 WeakPolarHBondContact CA-OE1 3.43Å; K754-E817 HydrophobicContact CB-CG 4.1Å; K754-E817 WeakPolarHBondContact CD-OE2 3.25Å; K754-E817 PolarHBondContact N-OE1 2.91Å; K754-E817 IonicContact NZ-OE2 2.7Å; K754-E817 PolarHBondContact NZ-OE2 3.15Å; N755-E817 PolarHBondContact OD1-N 3.4Å
818	Q	84.7	Confident	91.9	Very high	86 Å²	86	35.6 Å²	35.6	40%	0.402	17%	0.165	S	C	.	.			trans	-73.7	136.5	178.5	-170.7	64.5	31.9	0	0	109.4	S726 N755 L820	S726-Q818 PolarHBondContact OG-NE2 2.81Å; N755-Q818 PolarHBondContact ND2-O 3.01Å; Q818-L820 PolarHBondContact O-N 3.48Å
819	N	86.8	Confident	91.6	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.059	16%	0.161	C	C	.	.			trans	-65.7	121.5	168.3	-177.4	10.4	0	0	0	109.4	F723 N724 L815 G821	F723-N819 WeakPolarHBondContact CD1-ND2 3.16Å; F723-N819 PolarHBondContact O-ND2 3.3Å; N724-N819 WeakPolarHBondContact CA-ND2 3.43Å; L815-N819 HydrophobicContact CD2-CB 4.05Å; N819-G821 WeakPolarHBondContact OD1-CA 3.3Å; N819-G821 PolarHBondContact OD1-N 3.49Å
820	L	87.8	Confident	90.9	Very high	94 Å²	94	37.9 Å²	37.9	49%	0.492	18%	0.179	S	C	.	.			trans	-91.7	-6.2	176.2	-60.8	-180	0	0	0	112.8	A751 Q818	A751-L820 HydrophobicContact CB-CD1 3.94Å; Q818-L820 PolarHBondContact O-N 3.48Å
821	G	90.9	Very high	89.1	Confident	2 Å²	2	41.9 Å²	41.9	2%	0.021	20%	0.204	C	C	.	.			trans	119	131.3	-176.6	0	0	0	0	0	111.4	F723 V750 N819	F723-G821 WeakPolarHBondContact O-CA 3.39Å; V750-G821 WeakPolarHBondContact CB-O 3.22Å; V750-G821 VanDerWaalsContact CG2-O 3.27Å; V750-G821 WeakPolarHBondContact CG2-O 3.34Å; V750-G821 PolarHBondContact N-O 3.47Å; N819-G821 WeakPolarHBondContact OD1-CA 3.3Å; N819-G821 PolarHBondContact OD1-N 3.49Å
822	I	94.1	Very high	87.1	Confident	1 Å²	1	51 Å²	51	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.4	164.9	-61.3	172.7	0	0	0	107.4	F722 F723 V735 V747 I757 V813	F722-I822 WeakPolarHBondContact CA-O 3.44Å; F723-I822 HydrophobicContact CD1-CD1 4.5Å; F723-I822 PolarHBondContact N-O 3.17Å; F723-I822 PolarHBondContact O-N 3.1Å; V735-I822 HydrophobicContact CG1-CB 4.47Å; V735-I822 HydrophobicContact CG1-CG2 4.21Å; V735-I822 HydrophobicContact CG2-CD1 4.11Å; V747-I822 HydrophobicContact CG1-CG2 3.56Å; I757-I822 HydrophobicContact CG1-CD1 4.3Å; V813-I822 HydrophobicContact CB-CD1 3.78Å; V813-I822 HydrophobicContact CG1-CD1 4.11Å; V813-I822 HydrophobicContact CG2-CD1 3.85Å
823	R	95.8	Very high	85	Confident	160 Å²	160	56.2 Å²	56.2	60%	0.604	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.8	167.6	-175.8	178.4	-64.6	161.8	2.7	108.8	G721 V747 R748	G721-R823 WeakPolarHBondContact O-CA 3.49Å; V747-R823 WeakPolarHBondContact CA-O 3.45Å; R748-R823 PolarHBondContact N-O 3.17Å; R748-R823 PolarHBondContact O-N 3.43Å
824	Y	96.1	Very high	82.6	Confident	42 Å²	42	59.9 Å²	59.9	17%	0.165	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.4	169.7	56.6	-101.7	0	0	0	111.5	I719 E720 G721 F723 V735 V736 E746 F826	I719-Y824 HydrophobicContact CG2-CE2 4.37Å; E720-Y824 WeakPolarHBondContact CA-O 3.45Å; G721-Y824 VanDerWaalsContact CA-CE2 3.47Å; G721-Y824 PolarHBondContact N-O 3.41Å; G721-Y824 PolarHBondContact O-N 2.83Å; F723-Y824 HydrophobicContact CB-CE1 4.49Å; V735-Y824 HydrophobicContact CG1-CD1 4.01Å; V735-Y824 HydrophobicContact CG1-CE1 4.24Å; V736-Y824 HydrophobicContact CB-CD1 4.05Å; V736-Y824 HydrophobicContact CB-CD2 4.27Å; V736-Y824 HydrophobicContact CB-CE1 3.8Å; V736-Y824 HydrophobicContact CB-CE2 4.05Å; V736-Y824 HydrophobicContact CB-CG 4.27Å; V736-Y824 HydrophobicContact CG1-CD1 3.85Å; V736-Y824 HydrophobicContact CG1-CD2 4.07Å; V736-Y824 HydrophobicContact CG1-CE1 4.14Å; V736-Y824 HydrophobicContact CG1-CE2 4.36Å; V736-Y824 HydrophobicContact CG1-CG 3.79Å; V736-Y824 HydrophobicContact CG2-CD2 4.1Å; V736-Y824 HydrophobicContact CG2-CE1 4.29Å; V736-Y824 HydrophobicContact CG2-CE2 3.67Å; E746-Y824 CarbonylContact O-C 3.57Å; E746-Y824 VanDerWaalsContact O-CA 3.29Å; E746-Y824 WeakPolarHBondContact O-CA 3.48Å; Y824-F826 HydrophobicContact CD2-CD1 4.4Å; Y824-F826 AromaticContact CD2-CE1 3.88Å; Y824-F826 HydrophobicContact CD2-CE1 3.88Å; Y824-F826 HydrophobicContact CE2-CE1 4.34Å
825	K	96.4	Very high	80.2	Confident	74 Å²	74	64.9 Å²	64.9	32%	0.322	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	137	174.9	176.5	167.1	-175.3	155.1	0	109.6	I719 E720 I745 E746	I719-K825 CarbonylContact O-C 3.59Å; I719-K825 VanDerWaalsContact O-CA 3.29Å; I719-K825 WeakPolarHBondContact O-CA 3.47Å; E720-K825 HydrophobicContact CG-CB 4.12Å; E720-K825 HydrophobicContact CG-CD 3.88Å; E720-K825 HydrophobicContact CG-CG 3.82Å; E720-K825 WeakPolarHBondContact OE1-CD 3.22Å; E720-K825 VanDerWaalsContact OE1-CE 3.24Å; E720-K825 WeakPolarHBondContact OE1-CE 3.39Å; E720-K825 IonicContact OE1-NZ 3.57Å; E720-K825 PolarHBondContact OE1-NZ 2.58Å; I745-K825 CarbonylContact C-O 3.53Å; I745-K825 WeakPolarHBondContact CA-O 3.03Å; E746-K825 HydrophobicContact CB-CB 4.48Å; E746-K825 PolarHBondContact N-O 3.01Å; E746-K825 PolarHBondContact O-N 2.93Å
826	F	95.6	Very high	77.9	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.009	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	153.7	169.1	52.8	-84.4	0	0	0	110	I719 V736 Q737 I738 I745 Y824 V828	I719-F826 HydrophobicContact CB-CD2 4.41Å; I719-F826 HydrophobicContact CB-CE2 4.15Å; I719-F826 HydrophobicContact CB-CZ 4.23Å; I719-F826 HydrophobicContact CD1-CE2 3.94Å; I719-F826 HydrophobicContact CD1-CZ 4.32Å; I719-F826 HydrophobicContact CG1-CE2 4.45Å; I719-F826 HydrophobicContact CG2-CE1 4.25Å; I719-F826 HydrophobicContact CG2-CE2 4.4Å; I719-F826 HydrophobicContact CG2-CZ 3.99Å; I719-F826 PolarHBondContact N-O 3.06Å; I719-F826 PolarHBondContact O-N 3.41Å; V736-F826 HydrophobicContact CG1-CE1 4.19Å; V736-F826 HydrophobicContact CG2-CE1 3.74Å; V736-F826 HydrophobicContact CG2-CZ 3.8Å; Q737-F826 WeakPolarHBondContact O-CZ 3.29Å; I738-F826 HydrophobicContact CG1-CD1 4.09Å; I738-F826 HydrophobicContact CG1-CE1 3.97Å; I738-F826 HydrophobicContact CG1-CE2 4.46Å; I738-F826 HydrophobicContact CG1-CG 4.42Å; I738-F826 HydrophobicContact CG1-CZ 4.16Å; I738-F826 HydrophobicContact CG2-CD2 4.3Å; I745-F826 HydrophobicContact CB-CB 4.34Å; I745-F826 HydrophobicContact CG1-CB 3.77Å; Y824-F826 HydrophobicContact CD2-CD1 4.4Å; Y824-F826 AromaticContact CD2-CE1 3.88Å; Y824-F826 HydrophobicContact CD2-CE1 3.88Å; Y824-F826 HydrophobicContact CE2-CE1 4.34Å; F826-V828 HydrophobicContact CD2-CG2 3.55Å; F826-V828 HydrophobicContact CE2-CG2 3.47Å; F826-V828 VanDerWaalsContact CE2-CG2 3.47Å
827	N	93.8	Very high	75.7	Confident	9 Å²	9	65 Å²	65	5%	0.048	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.4	177	-55.5	-24.3	0	0	0	109.4	R705 C716 D717 A718 S742 V743	R705-N827 PolarHBondContact O-ND2 3.02Å; C716-N827 HydrophobicContact CB-CB 4.31Å; D717-N827 CarbonylContact O-C 3.51Å; D717-N827 VanDerWaalsContact O-CA 3.27Å; D717-N827 WeakPolarHBondContact O-CA 3.02Å; A718-N827 WeakPolarHBondContact CA-OD1 3.43Å; A718-N827 VanDerWaalsContact CB-OD1 3.26Å; A718-N827 WeakPolarHBondContact CB-OD1 3.32Å; S742-N827 CarbonylContact C-O 3.59Å; S742-N827 WeakPolarHBondContact CA-O 3.34Å; V743-N827 HydrophobicContact CG2-CB 3.99Å; V743-N827 PolarHBondContact N-O 3.45Å; V743-N827 PolarHBondContact O-N 3.5Å
828	V	91.4	Very high	73.7	Confident	24 Å²	24	71.1 Å²	71.1	15%	0.145	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.8	-177.3	-177.4	0	0	0	0	109.3	C716 D717 I719 P739 F826	C716-V828 CarbonylContact C-O 3.57Å; C716-V828 WeakPolarHBondContact CA-O 3.25Å; C716-V828 VanDerWaalsContact CB-O 3.29Å; C716-V828 WeakPolarHBondContact CB-O 3.36Å; D717-V828 PolarHBondContact N-O 2.95Å; D717-V828 PolarHBondContact O-N 3.49Å; I719-V828 HydrophobicContact CD1-CB 4.47Å; I719-V828 HydrophobicContact CD1-CG2 3.54Å; I719-V828 HydrophobicContact CG1-CG2 4.06Å; P739-V828 HydrophobicContact CB-CG1 4.15Å; P739-V828 HydrophobicContact CG-CG1 4.05Å; P739-V828 HydrophobicContact CG-CG2 4.19Å; F826-V828 HydrophobicContact CD2-CG2 3.55Å; F826-V828 HydrophobicContact CE2-CG2 3.47Å; F826-V828 VanDerWaalsContact CE2-CG2 3.47Å
829	P	86.2	Confident	72	Confident	42 Å²	42	76 Å²	76	27%	0.273	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.3	175	27.7	-35.3	0	0	0	110.8	G741 T831	G741-P829 WeakPolarHBondContact O-CD 3.37Å; P829-T831 VanDerWaalsContact C-N 3.3Å; P829-T831 PolarHBondContact O-N 3.39Å
830	I	80.1	Confident	70.4	Confident	73 Å²	73	76.7 Å²	76.7	37%	0.374	42%	0.419	S	S	.	.			trans	-77	81.6	-177.1	-58.2	167.4	0	0	0	110	S714 T715 D717 R832	S714-I830 WeakPolarHBondContact O-CD1 3.45Å; T715-I830 PolarHBondContact O-N 3.24Å; D717-I830 HydrophobicContact CB-CG1 4.46Å; D717-I830 WeakPolarHBondContact OD2-CD1 3.11Å; I830-R832 HydrophobicContact CG2-CG 4.17Å; I830-R832 PolarHBondContact O-N 3.32Å; I830-R832 VanDerWaalsContact O-N 3.09Å
831	T	59.1	Low	69.3	Low	103 Å²	103	73.9 Å²	73.9	63%	0.632	41%	0.412	S	S	*	.			trans	-69.2	99.7	167.8	50.9	0	0	0	0	109.5	P829 T833	P829-T831 VanDerWaalsContact C-N 3.3Å; P829-T831 PolarHBondContact O-N 3.39Å; T831-T833 PolarHBondContact O-N 2.86Å; T831-T833 PolarHBondContact O-OG1 2.92Å
832	R	52.2	Low	68.6	Low	190 Å²	190	76.3 Å²	76.3	72%	0.717	42%	0.422	S	S	*	.			trans	-72	60.6	175.9	-66.4	-172.7	178.7	-169.9	0.8	112.4	I830	I830-R832 HydrophobicContact CG2-CG 4.17Å; I830-R832 PolarHBondContact O-N 3.32Å; I830-R832 VanDerWaalsContact O-N 3.09Å
833	T	48.4	Very low	67.9	Low	123 Å²	123	79 Å²	79	76%	0.755	44%	0.439	S	S	*	.			trans	-113.9	78.8	179.9	50.4	0	0	0	0	109.6	T831	T831-T833 PolarHBondContact O-N 2.86Å; T831-T833 PolarHBondContact O-OG1 2.92Å
834	G	41.4	Very low	67.4	Low	78 Å²	78	72.6 Å²	72.6	80%	0.804	42%	0.415	S	S	*	.	S	Bend	trans	-170.7	-3.9	-171.6	0	0	0	0	0	120.5
835	S	40.8	Very low	66.8	Low	110 Å²	110	73.3 Å²	73.3	77%	0.769	42%	0.422	S	S	*	.	S	Bend	trans	-166.9	138.2	166.9	-157.2	0	0	0	0	113.2	D837	S835-D837 PolarHBondContact O-N 2.99Å
836	G	40.2	Very low	66	Low	36 Å²	36	72.9 Å²	72.9	37%	0.371	42%	0.421	S	S	.	.			trans	98.9	-39.4	153.6	0	0	0	0	0	119.4	N838 E839 V840	G836-N838 PolarHBondContact O-N 3.3Å; G836-E839 PolarHBondContact O-N 3.08Å; G836-V840 PolarHBondContact O-N 3.03Å
837	D	40.9	Very low	65.3	Low	58 Å²	58	75 Å²	75	31%	0.31	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-2.2	-160.5	-67.9	-0.6	0	0	0	117.1	S835 F842 R869	S835-D837 PolarHBondContact O-N 2.99Å; D837-F842 HydrophobicContact CB-CE2 4.25Å; D837-F842 HydrophobicContact CB-CZ 4.05Å; D837-R869 WeakPolarHBondContact OD1-CD 3.5Å; D837-R869 IonicContact OD1-CZ 3.58Å; D837-R869 IonicContact OD1-NH1 2.77Å; D837-R869 PolarHBondContact OD1-NH1 3.48Å
838	N	44.3	Very low	64.7	Low	175 Å²	175	79.3 Å²	79.3	94%	0.936	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.2	167.9	-85.9	-4.1	0	0	0	113.9	G836	G836-N838 PolarHBondContact O-N 3.3Å
839	E	49.3	Very low	64.2	Low	188 Å²	188	81.5 Å²	81.5	88%	0.879	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-27.2	170.1	-67.6	-169.2	134.5	0	0	111.9	G836 G841	G836-E839 PolarHBondContact O-N 3.08Å; E839-G841 PolarHBondContact O-N 3.25Å
840	V	54.7	Low	63.8	Low	27 Å²	27	81.7 Å²	81.7	16%	0.164	47%	0.467	C	S	.	.	S	Bend	trans	-85	98.4	173.9	-173	0	0	0	0	109.7	G836 R869 L870 D871	G836-V840 PolarHBondContact O-N 3.03Å; V840-R869 HydrophobicContact CG1-CG 3.67Å; V840-L870 HydrophobicContact CG1-CB 4.15Å; V840-D871 HydrophobicContact CG1-CB 3.7Å; V840-D871 HydrophobicContact CG2-CB 4.01Å
841	G	64.6	Low	63.9	Low	35 Å²	35	86.6 Å²	86.6	36%	0.361	49%	0.488	S	S	.	.			trans	-61.5	153.5	174.1	0	0	0	0	0	113	E839 L870	E839-G841 PolarHBondContact O-N 3.25Å; G841-L870 VanDerWaalsContact O-CB 3.25Å; G841-L870 WeakPolarHBondContact O-CB 3.49Å; G841-L870 WeakPolarHBondContact O-CD1 3.29Å; G841-L870 WeakPolarHBondContact O-CG 3.33Å; G841-L870 PolarHBondContact O-N 3.37Å; G841-L870 VanDerWaalsContact O-N 3.14Å
842	F	74.9	Confident	65	Low	52 Å²	52	82.5 Å²	82.5	23%	0.228	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.4	169.4	-58.9	-86.4	0	0	0	109.6	D837 K868 R869 V876 Y880	D837-F842 HydrophobicContact CB-CE2 4.25Å; D837-F842 HydrophobicContact CB-CZ 4.05Å; F842-K868 WeakPolarHBondContact CA-O 3.49Å; F842-R869 HydrophobicContact CD1-CB 4.2Å; F842-R869 HydrophobicContact CD1-CG 3.97Å; F842-R869 HydrophobicContact CE1-CB 4.12Å; F842-R869 HydrophobicContact CE1-CG 3.59Å; F842-R869 HydrophobicContact CZ-CG 4.29Å; F842-V876 HydrophobicContact CD1-CG2 3.89Å; F842-V876 HydrophobicContact CE1-CG2 4.14Å; F842-Y880 WeakPolarHBondContact CB-O 3.45Å; F842-Y880 WeakPolarHBondContact CD2-O 3.43Å; F842-Y880 AromaticContact CE1-CD1 3.95Å; F842-Y880 HydrophobicContact CE1-CD1 3.95Å; F842-Y880 HydrophobicContact CE1-CG 4.21Å; F842-Y880 HydrophobicContact CE2-CD1 4.18Å; F842-Y880 WeakPolarHBondContact CG-O 3.42Å; F842-Y880 AromaticContact CZ-CD1 3.7Å; F842-Y880 HydrophobicContact CZ-CD1 3.7Å; F842-Y880 HydrophobicContact CZ-CG 4.37Å
843	T	80.9	Confident	66.4	Low	59 Å²	59	77.8 Å²	77.8	36%	0.362	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.9	175.5	-155.6	0	0	0	0	112.5	N845 K868 L870 C881	T843-N845 VanDerWaalsContact CG2-OD1 3.31Å; T843-N845 WeakPolarHBondContact CG2-OD1 3.46Å; T843-N845 PolarHBondContact O-N 2.7Å; T843-K868 PolarHBondContact N-O 3.5Å; T843-K868 PolarHBondContact O-N 2.76Å; T843-L870 HydrophobicContact CG2-CD2 3.86Å; T843-L870 HydrophobicContact CG2-CG 4.48Å; T843-C881 PolarHBondContact O-SG 3.24Å
844	W	84.6	Confident	67.6	Low	25 Å²	25	73.6 Å²	73.6	10%	0.095	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	109.2	176.8	-70.9	113.7	0	0	0	109.9	V865 C867 N878 C881 D882 S885 K886 P887	W844-V865 HydrophobicContact CB-CG1 3.8Å; W844-V865 HydrophobicContact CD2-CG1 4.15Å; W844-V865 HydrophobicContact CE3-CG1 3.74Å; W844-V865 HydrophobicContact CG-CG1 4.24Å; W844-C867 HydrophobicContact CE3-CB 4.18Å; W844-C867 HydrophobicContact CH2-CB 4.45Å; W844-C867 HydrophobicContact CZ3-CB 3.97Å; W844-N878 HydrophobicContact CH2-CB 3.84Å; W844-N878 WeakPolarHBondContact CH2-O 3.06Å; W844-N878 HydrophobicContact CZ3-CB 4.32Å; W844-N878 WeakPolarHBondContact CZ3-OD1 3.21Å; W844-C881 HydrophobicContact CD2-CB 3.73Å; W844-C881 HydrophobicContact CE3-CB 4.25Å; W844-C881 HydrophobicContact CG-CB 4.21Å; W844-C881 HydrophobicContact CH2-CB 4.13Å; W844-C881 HydrophobicContact CZ2-CB 3.55Å; W844-C881 HydrophobicContact CZ3-CB 4.45Å; W844-D882 PolarHBondContact NE1-O 2.87Å; W844-S885 VanDerWaalsContact CD1-OG 3.22Å; W844-S885 PolarHBondContact NE1-OG 2.95Å; W844-K886 HydrophobicContact CD2-CB 4.24Å; W844-K886 HydrophobicContact CD2-CG 3.96Å; W844-K886 HydrophobicContact CE3-CG 4.27Å; W844-K886 HydrophobicContact CG-CB 4.5Å; W844-K886 HydrophobicContact CG-CG 4.43Å; W844-K886 HydrophobicContact CH2-CD 4.3Å; W844-K886 HydrophobicContact CH2-CG 4.35Å; W844-K886 HydrophobicContact CZ2-CB 4Å; W844-K886 HydrophobicContact CZ2-CD 4.36Å; W844-K886 HydrophobicContact CZ2-CG 4.06Å; W844-K886 HydrophobicContact CZ3-CG 4.44Å; W844-P887 VanDerWaalsContact CB-CD 3.41Å; W844-P887 HydrophobicContact CB-CG 3.99Å
845	N	82.2	Confident	69.3	Low	57 Å²	57	76 Å²	76	31%	0.305	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.6	173.5	-70.7	110.3	0	0	0	110.2	T843 Q847 V866 K868	T843-N845 VanDerWaalsContact CG2-OD1 3.31Å; T843-N845 WeakPolarHBondContact CG2-OD1 3.46Å; T843-N845 PolarHBondContact O-N 2.7Å; N845-Q847 PolarHBondContact O-N 2.6Å; N845-V866 PolarHBondContact N-O 2.89Å; N845-V866 PolarHBondContact O-N 2.73Å; N845-K868 HydrophobicContact CB-CB 4.48Å; N845-K868 HydrophobicContact CB-CD 3.84Å; N845-K868 HydrophobicContact CB-CG 4.06Å; N845-K868 WeakPolarHBondContact OD1-CB 3.26Å
846	H	80.1	Confident	70.9	Confident	64 Å²	64	71.8 Å²	71.8	30%	0.296	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	132.2	157.8	-65.4	-74.1	0	0	0	109.3	Q863 V865 P888 N890	H846-Q863 HydrophobicContact CB-CG 3.91Å; H846-Q863 PolarHBondContact ND1-O 3.01Å; H846-V865 WeakPolarHBondContact ND1-CG2 3.5Å; H846-P888 PolarHBondContact CE1-O 2.89Å; H846-N890 PolarHBondContact CE1-ND2 3.5Å; H846-N890 PolarHBondContact ND1-ND2 2.97Å; H846-N890 PolarHBondContact NE2-ND2 3.49Å
847	Q	81.3	Confident	72.2	Confident	48 Å²	48	70.4 Å²	70.4	22%	0.224	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-64.1	173.2	167.9	-78.9	-63.1	-47.7	0	0	111.5	N845 Q863 E864 V866	N845-Q847 PolarHBondContact O-N 2.6Å; Q847-Q863 WeakPolarHBondContact O-CG 3.33Å; Q847-Q863 PolarHBondContact O-NE2 2.94Å; Q847-E864 PolarHBondContact N-O 3.32Å; Q847-V866 HydrophobicContact CG-CG1 4.01Å; Q847-V866 HydrophobicContact CG-CG2 4.04Å
848	P	80.9	Confident	73.8	Confident	99 Å²	99	68.7 Å²	68.7	64%	0.643	39%	0.388	S	S	*	.	S	Bend	trans	-47.8	149.6	152	-23.5	35.6	0	0	0	109.9	S850	P848-S850 PolarHBondContact O-N 3.26Å
849	W	81.5	Confident	75.2	Confident	69 Å²	69	60.5 Å²	60.5	26%	0.261	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-58.1	139.7	170.3	-66.6	89.1	0	0	0	109.3	Q861 Q863 N890 R892	W849-Q861 HydrophobicContact CB-CB 4.39Å; W849-Q861 HydrophobicContact CB-CG 3.94Å; W849-Q861 HydrophobicContact CD2-CB 4.5Å; W849-Q861 HydrophobicContact CE3-CB 3.82Å; W849-Q861 VanDerWaalsContact CZ3-O 3.3Å; W849-Q861 WeakPolarHBondContact CZ3-O 3.43Å; W849-Q863 HydrophobicContact CD2-CB 3.93Å; W849-Q863 HydrophobicContact CD2-CG 3.75Å; W849-Q863 HydrophobicContact CE3-CB 3.63Å; W849-Q863 HydrophobicContact CE3-CG 3.99Å; W849-Q863 HydrophobicContact CG-CG 4.08Å; W849-Q863 HydrophobicContact CH2-CB 4.06Å; W849-Q863 HydrophobicContact CZ2-CB 4.27Å; W849-Q863 HydrophobicContact CZ2-CG 4.35Å; W849-Q863 VanDerWaalsContact CZ2-OE1 3.31Å; W849-Q863 HydrophobicContact CZ3-CB 3.71Å; W849-Q863 HydrophobicContact CZ3-CG 4.42Å; W849-N890 HydrophobicContact CH2-CB 3.68Å; W849-N890 HydrophobicContact CZ2-CB 4.41Å; W849-N890 HydrophobicContact CZ3-CB 4.18Å; W849-R892 HydrophobicContact CD2-CG 4.23Å; W849-R892 HydrophobicContact CE3-CG 3.77Å; W849-R892 HydrophobicContact CH2-CB 3.79Å; W849-R892 HydrophobicContact CH2-CG 3.76Å; W849-R892 HydrophobicContact CZ2-CG 4.26Å; W849-R892 HydrophobicContact CZ3-CB 3.85Å; W849-R892 HydrophobicContact CZ3-CG 3.52Å
850	S	78.3	Confident	76.7	Confident	47 Å²	47	54.3 Å²	54.3	33%	0.329	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-52.1	166.5	174.9	69.8	0	0	0	0	111.6	P848 C852 Q861 R862	P848-S850 PolarHBondContact O-N 3.26Å; S850-C852 PolarHBondContact O-N 3.34Å; S850-Q861 WeakPolarHBondContact O-CG 3.24Å; S850-Q861 PolarHBondContact O-NE2 3.46Å; S850-R862 PolarHBondContact N-O 2.94Å; S850-R862 PolarHBondContact OG-N 2.95Å; S850-R862 VanDerWaalsContact OG-N 3.07Å
851	E	81.1	Confident	77.8	Confident	175 Å²	175	54.4 Å²	54.4	82%	0.818	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-56.6	145.4	155.6	-74.1	-55.8	149.9	0	0	109.7	S853	E851-S853 PolarHBondContact O-N 3.06Å
852	C	81.8	Confident	78.6	Confident	18 Å²	18	59.3 Å²	59.3	12%	0.122	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-69.9	132.5	-176	-172.5	0	0	0	0	110	S850 A854 Q861 C894 N895	S850-C852 PolarHBondContact O-N 3.34Å; C852-A854 WeakPolarHBondContact CB-O 3.12Å; C852-A854 PolarHBondContact O-N 2.67Å; C852-A854 PolarHBondContact SG-O 2.97Å; C852-Q861 HydrophobicContact CB-CG 4.33Å; C852-C894 VanDerWaalsContact CA-SG 3.56Å; C852-C894 HydrophobicContact CB-CB 3.92Å; C852-C894 WeakPolarHBondContact CB-SG 3.46Å; C852-C894 WeakPolarHBondContact SG-CB 3.5Å; C852-C894 PolarHBondContact SG-O 3.04Å; C852-C894 CovalentContact SG-SG 2.02Å; C852-C894 PolarHBondContact SG-SG 3.13Å; C852-N895 VanDerWaalsContact CB-ND2 3.27Å; C852-N895 WeakPolarHBondContact CB-ND2 3.36Å; C852-N895 PolarHBondContact SG-ND2 3.2Å; C852-N895 VanDerWaalsContact SG-ND2 3.42Å
853	S	81.7	Confident	78.9	Confident	91 Å²	91	58.3 Å²	58.3	64%	0.636	32%	0.322	S	S	*	.	S	Bend	trans	-63.3	-9.5	-174.9	77.2	0	0	0	0	114.8	E851 V860	E851-S853 PolarHBondContact O-N 3.06Å; S853-V860 WeakPolarHBondContact CB-O 3.13Å; S853-V860 PolarHBondContact N-O 3.07Å; S853-V860 PolarHBondContact OG-N 2.92Å; S853-V860 PolarHBondContact OG-O 3.2Å
854	A	74.3	Confident	78.8	Confident	34 Å²	34	61.2 Å²	61.2	28%	0.281	33%	0.332	S	S	.	.	S	Bend	trans	-142.1	147.5	167.5	0	0	0	0	0	109.1	C852 C856 N895	C852-A854 WeakPolarHBondContact CB-O 3.12Å; C852-A854 PolarHBondContact O-N 2.67Å; C852-A854 PolarHBondContact SG-O 2.97Å; A854-C856 VanDerWaalsContact C-N 3.27Å; A854-C856 WeakPolarHBondContact CB-O 3.27Å; A854-C856 PolarHBondContact O-N 3.34Å; A854-N895 PolarHBondContact O-ND2 2.81Å
855	T	76.8	Confident	78.8	Confident	129 Å²	129	60.3 Å²	60.3	79%	0.791	33%	0.329	S	S	*	.	S	Bend	trans	-76.1	-14.6	178.2	44.5	0	0	0	0	113.5	N895	T855-N895 WeakPolarHBondContact O-CB 3.04Å; T855-N895 PolarHBondContact O-ND2 3.39Å
856	C	74.4	Confident	78.9	Confident	22 Å²	22	58.7 Å²	58.7	15%	0.149	32%	0.321	C	S	.	.	S	Bend	trans	-166.8	174.8	-179	50.8	0	0	0	0	110.6	A854 G858 N895 C899	A854-C856 VanDerWaalsContact C-N 3.27Å; A854-C856 WeakPolarHBondContact CB-O 3.27Å; A854-C856 PolarHBondContact O-N 3.34Å; C856-G858 VanDerWaalsContact C-N 3.27Å; C856-G858 PolarHBondContact O-N 3.28Å; C856-N895 CarbonylContact C-O 3.57Å; C856-N895 WeakPolarHBondContact CA-O 3.37Å; C856-C899 VanDerWaalsContact C-SG 3.59Å; C856-C899 HydrophobicContact CB-CB 3.83Å; C856-C899 WeakPolarHBondContact CB-SG 3.03Å; C856-C899 WeakPolarHBondContact SG-CA 2.99Å; C856-C899 WeakPolarHBondContact SG-CB 3.36Å; C856-C899 CovalentContact SG-SG 2.03Å; C856-C899 PolarHBondContact SG-SG 3.45Å
857	A	67.6	Low	79	Confident	7 Å²	7	55.7 Å²	55.7	6%	0.058	31%	0.307	C	S	.	.	S	Bend	trans	58.8	26.8	178.9	0	0	0	0	0	116	N895 E897 K929 G931 P932	A857-N895 PolarHBondContact N-O 3.2Å; A857-E897 PolarHBondContact N-O 2.96Å; A857-K929 HydrophobicContact CB-CB 3.46Å; A857-K929 VanDerWaalsContact CB-CB 3.46Å; A857-K929 WeakPolarHBondContact CB-O 3.32Å; A857-G931 CarbonylContact O-C 3.5Å; A857-G931 VanDerWaalsContact O-CA 3.26Å; A857-G931 WeakPolarHBondContact O-CA 3.35Å; A857-P932 WeakPolarHBondContact O-CD 3.4Å
858	G	74.1	Confident	78.9	Confident	21 Å²	21	55 Å²	55	22%	0.216	30%	0.304	C	S	.	.			trans	87.6	86.1	174.6	0	0	0	0	0	113.7	C856 N895	C856-G858 VanDerWaalsContact C-N 3.27Å; C856-G858 PolarHBondContact O-N 3.28Å; G858-N895 PolarHBondContact N-O 2.74Å
859	G	74.9	Confident	78.6	Confident	3 Å²	3	52.1 Å²	52.1	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	171.3	161.7	0	0	0	0	0	112.1	A893 C894	G859-A893 WeakPolarHBondContact O-CA 3.13Å; G859-C894 VanDerWaalsContact C-SG 3.53Å; G859-C894 PolarHBondContact N-O 3.18Å; G859-C894 PolarHBondContact O-N 3.18Å; G859-C894 PolarHBondContact O-SG 2.69Å
860	V	79.6	Confident	78.1	Confident	58 Å²	58	54.1 Å²	54.1	35%	0.352	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.8	168	179.9	0	0	0	0	108.8	S853 R862 Q891 R892	S853-V860 WeakPolarHBondContact CB-O 3.13Å; S853-V860 PolarHBondContact N-O 3.07Å; S853-V860 PolarHBondContact OG-N 2.92Å; S853-V860 PolarHBondContact OG-O 3.2Å; V860-R862 HydrophobicContact CG1-CG 4.27Å; V860-Q891 HydrophobicContact CG1-CB 3.94Å; V860-Q891 HydrophobicContact CG1-CG 4.42Å; V860-R892 WeakPolarHBondContact CA-O 3.25Å
861	Q	78.4	Confident	77.6	Confident	29 Å²	29	56.1 Å²	56.1	14%	0.136	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.2	168.1	-120.2	172	-5.7	0	0	107.4	W849 S850 C852 Q891 R892 C894	W849-Q861 HydrophobicContact CB-CB 4.39Å; W849-Q861 HydrophobicContact CB-CG 3.94Å; W849-Q861 HydrophobicContact CD2-CB 4.5Å; W849-Q861 HydrophobicContact CE3-CB 3.82Å; W849-Q861 VanDerWaalsContact CZ3-O 3.3Å; W849-Q861 WeakPolarHBondContact CZ3-O 3.43Å; S850-Q861 WeakPolarHBondContact O-CG 3.24Å; S850-Q861 PolarHBondContact O-NE2 3.46Å; C852-Q861 HydrophobicContact CB-CG 4.33Å; Q861-Q891 WeakPolarHBondContact O-CA 3.24Å; Q861-R892 HydrophobicContact CB-CG 3.77Å; Q861-R892 PolarHBondContact N-O 3.35Å; Q861-R892 PolarHBondContact O-N 3.05Å; Q861-R892 VanDerWaalsContact OE1-CZ 3.24Å; Q861-C894 HydrophobicContact CB-CB 3.92Å; Q861-C894 VanDerWaalsContact CB-SG 3.5Å; Q861-C894 HydrophobicContact CG-CB 4.09Å; Q861-C894 PolarHBondContact N-SG 3.14Å
862	R	80.4	Confident	77.2	Confident	138 Å²	138	51.2 Å²	51.2	52%	0.521	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.4	177.1	-62.5	-172.8	177.5	176.6	1.3	109.2	S850 V860 Q891	S850-R862 PolarHBondContact N-O 2.94Å; S850-R862 PolarHBondContact OG-N 2.95Å; S850-R862 VanDerWaalsContact OG-N 3.07Å; V860-R862 HydrophobicContact CG1-CG 4.27Å; R862-Q891 HydrophobicContact CG-CG 4.31Å
863	Q	82.4	Confident	76.5	Confident	31 Å²	31	55 Å²	55	15%	0.145	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	81	173.2	-136.4	-171.8	-3.7	0	0	108.6	H846 Q847 W849 N890	H846-Q863 HydrophobicContact CB-CG 3.91Å; H846-Q863 PolarHBondContact ND1-O 3.01Å; Q847-Q863 WeakPolarHBondContact O-CG 3.33Å; Q847-Q863 PolarHBondContact O-NE2 2.94Å; W849-Q863 HydrophobicContact CD2-CB 3.93Å; W849-Q863 HydrophobicContact CD2-CG 3.75Å; W849-Q863 HydrophobicContact CE3-CB 3.63Å; W849-Q863 HydrophobicContact CE3-CG 3.99Å; W849-Q863 HydrophobicContact CG-CG 4.08Å; W849-Q863 HydrophobicContact CH2-CB 4.06Å; W849-Q863 HydrophobicContact CZ2-CB 4.27Å; W849-Q863 HydrophobicContact CZ2-CG 4.35Å; W849-Q863 VanDerWaalsContact CZ2-OE1 3.31Å; W849-Q863 HydrophobicContact CZ3-CB 3.71Å; W849-Q863 HydrophobicContact CZ3-CG 4.42Å; Q863-N890 HydrophobicContact CB-CB 3.9Å; Q863-N890 PolarHBondContact N-O 2.68Å; Q863-N890 PolarHBondContact OE1-ND2 3.09Å
864	E	79.3	Confident	75.9	Confident	120 Å²	120	52.4 Å²	52.4	56%	0.561	28%	0.282	S	S	*	.			trans	-58.9	139.3	179.8	-65.8	-173.9	176	0	0	110.5	Q847	Q847-E864 PolarHBondContact N-O 3.32Å
865	V	83.4	Confident	76.1	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.5	-178	-174.9	0	0	0	0	107.2	W844 H846 K886 P887 E889	W844-V865 HydrophobicContact CB-CG1 3.8Å; W844-V865 HydrophobicContact CD2-CG1 4.15Å; W844-V865 HydrophobicContact CE3-CG1 3.74Å; W844-V865 HydrophobicContact CG-CG1 4.24Å; H846-V865 WeakPolarHBondContact ND1-CG2 3.5Å; V865-K886 HydrophobicContact CG1-CG 4.24Å; V865-P887 HydrophobicContact CG1-CG 3.7Å; V865-P887 HydrophobicContact CG2-CG 4.26Å; V865-E889 HydrophobicContact CG2-CG 4.01Å
866	V	84.3	Confident	76.2	Confident	23 Å²	23	51 Å²	51	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.7	177.8	-51.3	0	0	0	0	110.3	N845 Q847 K868 I875	N845-V866 PolarHBondContact N-O 2.89Å; N845-V866 PolarHBondContact O-N 2.73Å; Q847-V866 HydrophobicContact CG-CG1 4.01Å; Q847-V866 HydrophobicContact CG-CG2 4.04Å; V866-K868 HydrophobicContact CG2-CG 4.13Å; V866-I875 HydrophobicContact CB-CG2 3.92Å; V866-I875 HydrophobicContact CG1-CG2 4.47Å; V866-I875 HydrophobicContact CG2-CB 4.45Å; V866-I875 HydrophobicContact CG2-CD1 4.28Å; V866-I875 HydrophobicContact CG2-CG1 4.01Å; V866-I875 HydrophobicContact CG2-CG2 3.78Å
867	C	83.2	Confident	76	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	133.4	171.3	-171.7	0	0	0	0	109.7	W844 V876 C881	W844-C867 HydrophobicContact CE3-CB 4.18Å; W844-C867 HydrophobicContact CH2-CB 4.45Å; W844-C867 HydrophobicContact CZ3-CB 3.97Å; C867-V876 HydrophobicContact CB-CG2 3.89Å; C867-V876 PolarHBondContact O-N 2.65Å; C867-V876 WeakPolarHBondContact SG-CG2 3.35Å; C867-C881 WeakPolarHBondContact CA-SG 3.42Å; C867-C881 HydrophobicContact CB-CB 3.76Å; C867-C881 WeakPolarHBondContact CB-SG 3.37Å; C867-C881 WeakPolarHBondContact SG-CB 3.37Å; C867-C881 PolarHBondContact SG-N 2.73Å; C867-C881 CovalentContact SG-SG 2.03Å; C867-C881 PolarHBondContact SG-SG 3.37Å
868	K	79.5	Confident	76.3	Confident	35 Å²	35	60.1 Å²	60.1	15%	0.152	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.8	174.3	-72.9	-161.2	170.3	-147.9	0	112.1	F842 T843 N845 V866 N873 S874	F842-K868 WeakPolarHBondContact CA-O 3.49Å; T843-K868 PolarHBondContact N-O 3.5Å; T843-K868 PolarHBondContact O-N 2.76Å; N845-K868 HydrophobicContact CB-CB 4.48Å; N845-K868 HydrophobicContact CB-CD 3.84Å; N845-K868 HydrophobicContact CB-CG 4.06Å; N845-K868 WeakPolarHBondContact OD1-CB 3.26Å; V866-K868 HydrophobicContact CG2-CG 4.13Å; K868-N873 WeakPolarHBondContact CD-O 3.47Å; K868-N873 WeakPolarHBondContact CD-OD1 3.02Å; K868-N873 WeakPolarHBondContact CE-O 3.13Å; K868-N873 PolarHBondContact NZ-O 2.84Å; K868-N873 PolarHBondContact NZ-OD1 2.99Å; K868-S874 VanDerWaalsContact CA-O 3.25Å; K868-S874 WeakPolarHBondContact CA-O 3.35Å; K868-S874 WeakPolarHBondContact CB-O 3.36Å
869	R	73.2	Confident	76.1	Confident	38 Å²	38	64.6 Å²	64.6	14%	0.143	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136	173.1	-152.2	170.6	66.1	145.6	4.2	110.5	D837 V840 F842 D871 D872 N873 S874 V876	D837-R869 WeakPolarHBondContact OD1-CD 3.5Å; D837-R869 IonicContact OD1-CZ 3.58Å; D837-R869 IonicContact OD1-NH1 2.77Å; D837-R869 PolarHBondContact OD1-NH1 3.48Å; V840-R869 HydrophobicContact CG1-CG 3.67Å; F842-R869 HydrophobicContact CD1-CB 4.2Å; F842-R869 HydrophobicContact CD1-CG 3.97Å; F842-R869 HydrophobicContact CE1-CB 4.12Å; F842-R869 HydrophobicContact CE1-CG 3.59Å; F842-R869 HydrophobicContact CZ-CG 4.29Å; R869-D871 VanDerWaalsContact C-N 3.34Å; R869-D871 VanDerWaalsContact CG-OD1 3.3Å; R869-D871 WeakPolarHBondContact CG-OD1 3.2Å; R869-D871 IonicContact CZ-OD1 3.29Å; R869-D871 VanDerWaalsContact CZ-OD1 3.31Å; R869-D871 IonicContact CZ-OD2 3.5Å; R869-D871 IonicContact NE-OD1 3.18Å; R869-D871 PolarHBondContact NE-OD1 2.76Å; R869-D871 IonicContact NE-OD2 3.4Å; R869-D871 IonicContact NH1-OD2 2.66Å; R869-D871 IonicContact NH2-OD1 3.42Å; R869-D871 PolarHBondContact NH2-OD1 2.9Å; R869-D871 IonicContact NH2-OD2 2.77Å; R869-D871 PolarHBondContact NH2-OD2 2.87Å; R869-D871 PolarHBondContact O-N 2.04Å; R869-D872 IonicContact CZ-OD2 3.65Å; R869-D872 IonicContact NE-OD1 3.55Å; R869-D872 IonicContact NE-OD2 3.5Å; R869-D872 IonicContact NH2-OD2 3.04Å; R869-D872 PolarHBondContact NH2-OD2 3.04Å; R869-N873 VanDerWaalsContact O-CA 3.32Å; R869-N873 WeakPolarHBondContact O-CA 3.5Å; R869-N873 PolarHBondContact O-N 2.86Å; R869-N873 VanDerWaalsContact O-N 3.11Å; R869-S874 PolarHBondContact N-O 3.49Å; R869-V876 HydrophobicContact CB-CG1 4.38Å
870	L	72	Confident	76	Confident	111 Å²	111	70.1 Å²	70.1	58%	0.581	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.6	-170.7	-77.8	173.5	0	0	0	115.5	V840 G841 T843	V840-L870 HydrophobicContact CG1-CB 4.15Å; G841-L870 VanDerWaalsContact O-CB 3.25Å; G841-L870 WeakPolarHBondContact O-CB 3.49Å; G841-L870 WeakPolarHBondContact O-CD1 3.29Å; G841-L870 WeakPolarHBondContact O-CG 3.33Å; G841-L870 PolarHBondContact O-N 3.37Å; G841-L870 VanDerWaalsContact O-N 3.14Å; T843-L870 HydrophobicContact CG2-CD2 3.86Å; T843-L870 HydrophobicContact CG2-CG 4.48Å
871	D	67.9	Low	75.8	Confident	88 Å²	88	67.7 Å²	67.7	47%	0.471	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-48.3	-177.5	65.7	-31.6	0	0	0	113.4	V840 R869	V840-D871 HydrophobicContact CG1-CB 3.7Å; V840-D871 HydrophobicContact CG2-CB 4.01Å; R869-D871 VanDerWaalsContact C-N 3.34Å; R869-D871 VanDerWaalsContact CG-OD1 3.3Å; R869-D871 WeakPolarHBondContact CG-OD1 3.2Å; R869-D871 IonicContact CZ-OD1 3.29Å; R869-D871 VanDerWaalsContact CZ-OD1 3.31Å; R869-D871 IonicContact CZ-OD2 3.5Å; R869-D871 IonicContact NE-OD1 3.18Å; R869-D871 PolarHBondContact NE-OD1 2.76Å; R869-D871 IonicContact NE-OD2 3.4Å; R869-D871 IonicContact NH1-OD2 2.66Å; R869-D871 IonicContact NH2-OD1 3.42Å; R869-D871 PolarHBondContact NH2-OD1 2.9Å; R869-D871 IonicContact NH2-OD2 2.77Å; R869-D871 PolarHBondContact NH2-OD2 2.87Å; R869-D871 PolarHBondContact O-N 2.04Å
872	D	72.1	Confident	75.8	Confident	73 Å²	73	70.7 Å²	70.7	39%	0.39	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-4.7	-173.7	65	16.5	0	0	0	113.4	R869 S874	R869-D872 IonicContact CZ-OD2 3.65Å; R869-D872 IonicContact NE-OD1 3.55Å; R869-D872 IonicContact NE-OD2 3.5Å; R869-D872 IonicContact NH2-OD2 3.04Å; R869-D872 PolarHBondContact NH2-OD2 3.04Å; D872-S874 VanDerWaalsContact CG-OG 3.26Å; D872-S874 PolarHBondContact O-N 2.98Å; D872-S874 VanDerWaalsContact O-N 3.17Å; D872-S874 WeakPolarHBondContact OD1-CB 3.42Å; D872-S874 PolarHBondContact OD1-N 2.61Å; D872-S874 PolarHBondContact OD1-OG 3.46Å; D872-S874 PolarHBondContact OD2-OG 3.39Å
873	N	66.3	Low	75.5	Confident	98 Å²	98	68.8 Å²	68.8	52%	0.524	36%	0.355	S	S	.	.			trans	60.4	18.4	-178.1	-131.6	-59.4	0	0	0	113.4	K868 R869	K868-N873 WeakPolarHBondContact CD-O 3.47Å; K868-N873 WeakPolarHBondContact CD-OD1 3.02Å; K868-N873 WeakPolarHBondContact CE-O 3.13Å; K868-N873 PolarHBondContact NZ-O 2.84Å; K868-N873 PolarHBondContact NZ-OD1 2.99Å; R869-N873 VanDerWaalsContact O-CA 3.32Å; R869-N873 WeakPolarHBondContact O-CA 3.5Å; R869-N873 PolarHBondContact O-N 2.86Å; R869-N873 VanDerWaalsContact O-N 3.11Å
874	S	70.8	Confident	75.1	Confident	35 Å²	35	74.9 Å²	74.9	25%	0.245	39%	0.389	C	S	.	.			trans	-71.6	155.2	177.1	68.9	0	0	0	0	111.7	K868 R869 D872	K868-S874 VanDerWaalsContact CA-O 3.25Å; K868-S874 WeakPolarHBondContact CA-O 3.35Å; K868-S874 WeakPolarHBondContact CB-O 3.36Å; R869-S874 PolarHBondContact N-O 3.49Å; D872-S874 VanDerWaalsContact CG-OG 3.26Å; D872-S874 PolarHBondContact O-N 2.98Å; D872-S874 VanDerWaalsContact O-N 3.17Å; D872-S874 WeakPolarHBondContact OD1-CB 3.42Å; D872-S874 PolarHBondContact OD1-N 2.61Å; D872-S874 PolarHBondContact OD1-OG 3.46Å; D872-S874 PolarHBondContact OD2-OG 3.39Å
875	I	78.6	Confident	74.9	Confident	101 Å²	101	72.3 Å²	72.3	52%	0.518	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.4	178.2	-56.3	174.5	0	0	0	108	V866	V866-I875 HydrophobicContact CB-CG2 3.92Å; V866-I875 HydrophobicContact CG1-CG2 4.47Å; V866-I875 HydrophobicContact CG2-CB 4.45Å; V866-I875 HydrophobicContact CG2-CD1 4.28Å; V866-I875 HydrophobicContact CG2-CG1 4.01Å; V866-I875 HydrophobicContact CG2-CG2 3.78Å
876	V	78.2	Confident	74.7	Confident	32 Å²	32	75.6 Å²	75.6	19%	0.194	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	171.6	177.7	-60.6	0	0	0	0	110.4	F842 C867 R869 Y880	F842-V876 HydrophobicContact CD1-CG2 3.89Å; F842-V876 HydrophobicContact CE1-CG2 4.14Å; C867-V876 HydrophobicContact CB-CG2 3.89Å; C867-V876 PolarHBondContact O-N 2.65Å; C867-V876 WeakPolarHBondContact SG-CG2 3.35Å; R869-V876 HydrophobicContact CB-CG1 4.38Å; V876-Y880 HydrophobicContact CB-CD2 4.34Å; V876-Y880 HydrophobicContact CG2-CD2 4.41Å; V876-Y880 HydrophobicContact CG2-CG 4.31Å
877	Q	69.9	Low	74.5	Confident	134 Å²	134	76.3 Å²	76.3	63%	0.626	40%	0.402	S	S	*	.			trans	-64.9	150	179.3	-66.7	179.2	7.4	0	0	111.5	N879 Y880	Q877-N879 WeakPolarHBondContact CB-OD1 3.49Å; Q877-N879 PolarHBondContact O-N 3.24Å; Q877-N879 PolarHBondContact O-OD1 2.92Å; Q877-Y880 HydrophobicContact CB-CD2 4Å; Q877-Y880 HydrophobicContact CB-CE2 4.1Å; Q877-Y880 WeakPolarHBondContact O-CD2 3.17Å; Q877-Y880 PolarHBondContact O-N 3.02Å; Q877-Y880 VanDerWaalsContact O-N 3.14Å
878	N	74.9	Confident	74.2	Confident	88 Å²	88	81.3 Å²	81.3	47%	0.471	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.5	-174.3	-77.6	-5.5	0	0	0	115.1	W844	W844-N878 HydrophobicContact CH2-CB 3.84Å; W844-N878 WeakPolarHBondContact CH2-O 3.06Å; W844-N878 HydrophobicContact CZ3-CB 4.32Å; W844-N878 WeakPolarHBondContact CZ3-OD1 3.21Å
879	N	69.3	Low	73.7	Confident	114 Å²	114	84.7 Å²	84.7	61%	0.61	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.3	176.4	56.6	-13.2	0	0	0	114.1	Q877	Q877-N879 WeakPolarHBondContact CB-OD1 3.49Å; Q877-N879 PolarHBondContact O-N 3.24Å; Q877-N879 PolarHBondContact O-OD1 2.92Å
880	Y	71.4	Confident	74.1	Confident	120 Å²	120	85.8 Å²	85.8	47%	0.471	46%	0.46	S	S	.	.	S	Bend	trans	-83.9	-16	175.1	-71.2	-92.3	0	0	0	113.2	F842 V876 Q877	F842-Y880 WeakPolarHBondContact CB-O 3.45Å; F842-Y880 WeakPolarHBondContact CD2-O 3.43Å; F842-Y880 AromaticContact CE1-CD1 3.95Å; F842-Y880 HydrophobicContact CE1-CD1 3.95Å; F842-Y880 HydrophobicContact CE1-CG 4.21Å; F842-Y880 HydrophobicContact CE2-CD1 4.18Å; F842-Y880 WeakPolarHBondContact CG-O 3.42Å; F842-Y880 AromaticContact CZ-CD1 3.7Å; F842-Y880 HydrophobicContact CZ-CD1 3.7Å; F842-Y880 HydrophobicContact CZ-CG 4.37Å; V876-Y880 HydrophobicContact CB-CD2 4.34Å; V876-Y880 HydrophobicContact CG2-CD2 4.41Å; V876-Y880 HydrophobicContact CG2-CG 4.31Å; Q877-Y880 HydrophobicContact CB-CD2 4Å; Q877-Y880 HydrophobicContact CB-CE2 4.1Å; Q877-Y880 WeakPolarHBondContact O-CD2 3.17Å; Q877-Y880 PolarHBondContact O-N 3.02Å; Q877-Y880 VanDerWaalsContact O-N 3.14Å
881	C	77.2	Confident	74.2	Confident	6 Å²	6	86.1 Å²	86.1	4%	0.041	46%	0.459	C	S	.	.	S	Bend	trans	-105.9	143.7	174.9	-70.8	0	0	0	0	110.3	T843 W844 C867 P883	T843-C881 PolarHBondContact O-SG 3.24Å; W844-C881 HydrophobicContact CD2-CB 3.73Å; W844-C881 HydrophobicContact CE3-CB 4.25Å; W844-C881 HydrophobicContact CG-CB 4.21Å; W844-C881 HydrophobicContact CH2-CB 4.13Å; W844-C881 HydrophobicContact CZ2-CB 3.55Å; W844-C881 HydrophobicContact CZ3-CB 4.45Å; C867-C881 WeakPolarHBondContact CA-SG 3.42Å; C867-C881 HydrophobicContact CB-CB 3.76Å; C867-C881 WeakPolarHBondContact CB-SG 3.37Å; C867-C881 WeakPolarHBondContact SG-CB 3.37Å; C867-C881 PolarHBondContact SG-N 2.73Å; C867-C881 CovalentContact SG-SG 2.03Å; C867-C881 PolarHBondContact SG-SG 3.37Å; C881-P883 VanDerWaalsContact O-CD 3.31Å; C881-P883 WeakPolarHBondContact O-CD 3.09Å
882	D	77.8	Confident	74.8	Confident	93 Å²	93	87.3 Å²	87.3	50%	0.497	46%	0.457	S	S	.	.			trans	-59.6	116.9	177.9	171.1	11.9	0	0	0	111.1	W844 D884 S885	W844-D882 PolarHBondContact NE1-O 2.87Å; D882-D884 VanDerWaalsContact C-N 3.3Å; D882-D884 PolarHBondContact O-N 2.91Å; D882-D884 PolarHBondContact OD1-N 3.33Å; D882-S885 PolarHBondContact O-N 3.11Å; D882-S885 VanDerWaalsContact O-N 3.12Å; D882-S885 PolarHBondContact O-OG 3.27Å
883	P	73.1	Confident	75.1	Confident	97 Å²	97	87.3 Å²	87.3	63%	0.63	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-58.8	-35.6	-179.5	-24.8	35.3	0	0	0	114.3	C881 S885 K886	C881-P883 VanDerWaalsContact O-CD 3.31Å; C881-P883 WeakPolarHBondContact O-CD 3.09Å; P883-S885 PolarHBondContact O-N 2.81Å; P883-K886 WeakPolarHBondContact O-CB 3.02Å; P883-K886 PolarHBondContact O-N 3.21Å; P883-K886 VanDerWaalsContact O-N 3.14Å
884	D	73.9	Confident	75.8	Confident	160 Å²	160	83.1 Å²	83.1	86%	0.856	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-72.3	-17.6	-178.4	-71.5	-21.6	0	0	0	111.6	D882	D882-D884 VanDerWaalsContact C-N 3.3Å; D882-D884 PolarHBondContact O-N 2.91Å; D882-D884 PolarHBondContact OD1-N 3.33Å
885	S	76	Confident	76	Confident	66 Å²	66	84.9 Å²	84.9	46%	0.462	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-89.5	-1.5	173.3	78.5	0	0	0	0	114.5	W844 D882 P883 P887	W844-S885 VanDerWaalsContact CD1-OG 3.22Å; W844-S885 PolarHBondContact NE1-OG 2.95Å; D882-S885 PolarHBondContact O-N 3.11Å; D882-S885 VanDerWaalsContact O-N 3.12Å; D882-S885 PolarHBondContact O-OG 3.27Å; P883-S885 PolarHBondContact O-N 2.81Å; S885-P887 VanDerWaalsContact O-CD 3.28Å; S885-P887 WeakPolarHBondContact O-CD 3.47Å
886	K	79.9	Confident	75.7	Confident	76 Å²	76	84.1 Å²	84.1	33%	0.33	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-66.1	116.9	-174.9	-170.6	-171.6	169.5	-169.5	0	111.2	W844 V865 P883 E889	W844-K886 HydrophobicContact CD2-CB 4.24Å; W844-K886 HydrophobicContact CD2-CG 3.96Å; W844-K886 HydrophobicContact CE3-CG 4.27Å; W844-K886 HydrophobicContact CG-CB 4.5Å; W844-K886 HydrophobicContact CG-CG 4.43Å; W844-K886 HydrophobicContact CH2-CD 4.3Å; W844-K886 HydrophobicContact CH2-CG 4.35Å; W844-K886 HydrophobicContact CZ2-CB 4Å; W844-K886 HydrophobicContact CZ2-CD 4.36Å; W844-K886 HydrophobicContact CZ2-CG 4.06Å; W844-K886 HydrophobicContact CZ3-CG 4.44Å; V865-K886 HydrophobicContact CG1-CG 4.24Å; P883-K886 WeakPolarHBondContact O-CB 3.02Å; P883-K886 PolarHBondContact O-N 3.21Å; P883-K886 VanDerWaalsContact O-N 3.14Å; K886-E889 IonicContact NZ-OE1 2.83Å; K886-E889 PolarHBondContact NZ-OE1 3.07Å
887	P	80.4	Confident	75.6	Confident	37 Å²	37	89.5 Å²	89.5	24%	0.24	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-67.1	153.7	174.2	29	-34.4	0	0	0	111.1	W844 V865 S885	W844-P887 VanDerWaalsContact CB-CD 3.41Å; W844-P887 HydrophobicContact CB-CG 3.99Å; V865-P887 HydrophobicContact CG1-CG 3.7Å; V865-P887 HydrophobicContact CG2-CG 4.26Å; S885-P887 VanDerWaalsContact O-CD 3.28Å; S885-P887 WeakPolarHBondContact O-CD 3.47Å
888	P	76.2	Confident	75.8	Confident	105 Å²	105	85.4 Å²	85.4	68%	0.682	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-63.3	146.9	177.4	27.7	-35.2	0	0	0	111.4	H846 N890	H846-P888 PolarHBondContact CE1-O 2.89Å; P888-N890 PolarHBondContact O-N 2.75Å; P888-N890 VanDerWaalsContact O-N 3.17Å
889	E	68.8	Low	75.9	Confident	106 Å²	106	82.2 Å²	82.2	50%	0.495	44%	0.444	S	S	.	.			trans	-70.6	109.9	177.5	-75.8	158.2	-152	0	0	110.5	V865 K886	V865-E889 HydrophobicContact CG2-CG 4.01Å; K886-E889 IonicContact NZ-OE1 2.83Å; K886-E889 PolarHBondContact NZ-OE1 3.07Å
890	N	80.5	Confident	76.4	Confident	62 Å²	62	81.2 Å²	81.2	33%	0.332	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.6	-178.8	-64.5	-34.9	0	0	0	110.5	H846 W849 Q863 P888	H846-N890 PolarHBondContact CE1-ND2 3.5Å; H846-N890 PolarHBondContact ND1-ND2 2.97Å; H846-N890 PolarHBondContact NE2-ND2 3.49Å; W849-N890 HydrophobicContact CH2-CB 3.68Å; W849-N890 HydrophobicContact CZ2-CB 4.41Å; W849-N890 HydrophobicContact CZ3-CB 4.18Å; Q863-N890 HydrophobicContact CB-CB 3.9Å; Q863-N890 PolarHBondContact N-O 2.68Å; Q863-N890 PolarHBondContact OE1-ND2 3.09Å; P888-N890 PolarHBondContact O-N 2.75Å; P888-N890 VanDerWaalsContact O-N 3.17Å
891	Q	75	Confident	76.7	Confident	118 Å²	118	77.2 Å²	77.2	55%	0.551	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.3	171.5	-58.6	-170.4	32.8	0	0	108.6	V860 Q861 R862	V860-Q891 HydrophobicContact CG1-CB 3.94Å; V860-Q891 HydrophobicContact CG1-CG 4.42Å; Q861-Q891 WeakPolarHBondContact O-CA 3.24Å; R862-Q891 HydrophobicContact CG-CG 4.31Å
892	R	81.2	Confident	76.9	Confident	113 Å²	113	83.7 Å²	83.7	43%	0.426	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.7	174.4	73.9	-178	-177.9	-175.1	1.7	110.8	W849 V860 Q861	W849-R892 HydrophobicContact CD2-CG 4.23Å; W849-R892 HydrophobicContact CE3-CG 3.77Å; W849-R892 HydrophobicContact CH2-CB 3.79Å; W849-R892 HydrophobicContact CH2-CG 3.76Å; W849-R892 HydrophobicContact CZ2-CG 4.26Å; W849-R892 HydrophobicContact CZ3-CB 3.85Å; W849-R892 HydrophobicContact CZ3-CG 3.52Å; V860-R892 WeakPolarHBondContact CA-O 3.25Å; Q861-R892 HydrophobicContact CB-CG 3.77Å; Q861-R892 PolarHBondContact N-O 3.35Å; Q861-R892 PolarHBondContact O-N 3.05Å; Q861-R892 VanDerWaalsContact OE1-CZ 3.24Å
893	A	76.8	Confident	77.2	Confident	73 Å²	73	80.8 Å²	80.8	60%	0.603	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.5	163	0	0	0	0	0	109.3	G859 T896	G859-A893 WeakPolarHBondContact O-CA 3.13Å; A893-T896 HydrophobicContact CB-CG2 3.75Å
894	C	81.1	Confident	77.6	Confident	9 Å²	9	80.7 Å²	80.7	6%	0.061	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.8	175.8	54.1	0	0	0	0	109.2	C852 G859 Q861 T896	C852-C894 VanDerWaalsContact CA-SG 3.56Å; C852-C894 HydrophobicContact CB-CB 3.92Å; C852-C894 WeakPolarHBondContact CB-SG 3.46Å; C852-C894 WeakPolarHBondContact SG-CB 3.5Å; C852-C894 PolarHBondContact SG-O 3.04Å; C852-C894 CovalentContact SG-SG 2.02Å; C852-C894 PolarHBondContact SG-SG 3.13Å; G859-C894 VanDerWaalsContact C-SG 3.53Å; G859-C894 PolarHBondContact N-O 3.18Å; G859-C894 PolarHBondContact O-N 3.18Å; G859-C894 PolarHBondContact O-SG 2.69Å; Q861-C894 HydrophobicContact CB-CB 3.92Å; Q861-C894 VanDerWaalsContact CB-SG 3.5Å; Q861-C894 HydrophobicContact CG-CB 4.09Å; Q861-C894 PolarHBondContact N-SG 3.14Å; C894-T896 PolarHBondContact O-N 2.75Å; C894-T896 VanDerWaalsContact O-N 3.14Å
895	N	76.8	Confident	78.1	Confident	73 Å²	73	76.9 Å²	76.9	39%	0.39	41%	0.413	S	S	.	.			trans	48	43.9	-178.3	-58.1	-14.6	0	0	0	112.4	C852 A854 T855 C856 A857 G858 E897	C852-N895 VanDerWaalsContact CB-ND2 3.27Å; C852-N895 WeakPolarHBondContact CB-ND2 3.36Å; C852-N895 PolarHBondContact SG-ND2 3.2Å; C852-N895 VanDerWaalsContact SG-ND2 3.42Å; A854-N895 PolarHBondContact O-ND2 2.81Å; T855-N895 WeakPolarHBondContact O-CB 3.04Å; T855-N895 PolarHBondContact O-ND2 3.39Å; C856-N895 CarbonylContact C-O 3.57Å; C856-N895 WeakPolarHBondContact CA-O 3.37Å; A857-N895 PolarHBondContact N-O 3.2Å; G858-N895 PolarHBondContact N-O 2.74Å; N895-E897 PolarHBondContact O-N 3.35Å
896	T	71.9	Confident	78.3	Confident	85 Å²	85	74.5 Å²	74.5	52%	0.521	40%	0.399	S	S	.	.			trans	-70.9	-9.6	177.4	49	0	0	0	0	113.1	A893 C894	A893-T896 HydrophobicContact CB-CG2 3.75Å; C894-T896 PolarHBondContact O-N 2.75Å; C894-T896 VanDerWaalsContact O-N 3.14Å
897	E	75.6	Confident	78.6	Confident	144 Å²	144	78.1 Å²	78.1	67%	0.673	42%	0.422	S	S	*	.	S	Bend	trans	-60.5	135.9	168.5	-65.1	-56.2	144.7	0	0	110	A857 N895	A857-E897 PolarHBondContact N-O 2.96Å; N895-E897 PolarHBondContact O-N 3.35Å
898	P	73.1	Confident	78.6	Confident	48 Å²	48	79 Å²	79	31%	0.312	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-52.6	144.5	172.7	-29.5	37.3	0	0	0	112.5	R928 K929 I930	P898-R928 HydrophobicContact CB-CG 3.73Å; P898-K929 CarbonylContact C-O 3.43Å; P898-K929 VanDerWaalsContact CA-O 3.3Å; P898-K929 WeakPolarHBondContact CA-O 3.45Å; P898-I930 HydrophobicContact CB-CG2 4.06Å; P898-I930 HydrophobicContact CG-CB 4.5Å; P898-I930 HydrophobicContact CG-CG2 4.09Å
899	C	78.8	Confident	78.8	Confident	21 Å²	21	79.4 Å²	79.4	14%	0.142	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-59.8	153.2	175.9	-72.1	0	0	0	0	112.1	C856 R928 K929	C856-C899 VanDerWaalsContact C-SG 3.59Å; C856-C899 HydrophobicContact CB-CB 3.83Å; C856-C899 WeakPolarHBondContact CB-SG 3.03Å; C856-C899 WeakPolarHBondContact SG-CA 2.99Å; C856-C899 WeakPolarHBondContact SG-CB 3.36Å; C856-C899 CovalentContact SG-SG 2.03Å; C856-C899 PolarHBondContact SG-SG 3.45Å; C899-R928 WeakPolarHBondContact O-CG 2.96Å; C899-K929 HydrophobicContact CB-CB 4.27Å; C899-K929 PolarHBondContact N-O 2.75Å
900	P	79.8	Confident	79.2	Confident	94 Å²	94	83.4 Å²	83.4	61%	0.61	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-47.9	130.9	159.1	-23.8	34.3	0	0	0	108.7	E902	P900-E902 PolarHBondContact O-N 2.91Å
901	P	77.1	Confident	79.2	Confident	36 Å²	36	81.7 Å²	81.7	23%	0.234	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-71.9	130.4	-175.7	30.5	-36.6	0	0	0	110.2	I927 R928 L938 G942 C943	P901-I927 CarbonylContact C-O 3.57Å; P901-I927 VanDerWaalsContact CA-O 3.29Å; P901-I927 WeakPolarHBondContact CA-O 3.39Å; P901-R928 HydrophobicContact CB-CB 4.23Å; P901-L938 HydrophobicContact CB-CD1 3.78Å; P901-L938 HydrophobicContact CG-CD1 4.24Å; P901-G942 WeakPolarHBondContact CG-O 3.46Å; P901-C943 PolarHBondContact O-SG 3.29Å; P901-C943 VanDerWaalsContact O-SG 3.39Å
902	E	80.3	Confident	79.5	Confident	141 Å²	141	80.3 Å²	80.3	66%	0.659	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	155.9	-175.6	-68.9	-168.7	154.7	0	0	111.4	P900 F904 I927 C943	P900-E902 PolarHBondContact O-N 2.91Å; E902-F904 PolarHBondContact O-N 3.37Å; E902-F904 VanDerWaalsContact O-N 3.14Å; E902-I927 PolarHBondContact N-O 3.04Å; E902-I927 PolarHBondContact O-N 3.05Å; E902-C943 PolarHBondContact O-SG 3.48Å
903	W	84.5	Confident	78.9	Confident	32 Å²	32	79.7 Å²	79.7	12%	0.121	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	103.7	176.7	-70.3	111.2	0	0	0	110.5	I905 V924 L925 C926 Y940 C943 T945 R947 P948	W903-I905 HydrophobicContact CB-CG1 4.5Å; W903-I905 PolarHBondContact O-N 2.03Å; W903-V924 HydrophobicContact CD2-CG1 4.29Å; W903-V924 HydrophobicContact CE3-CG1 3.5Å; W903-V924 HydrophobicContact CZ3-CG1 3.83Å; W903-L925 CarbonylContact C-O 3.54Å; W903-C926 HydrophobicContact CE3-CB 4.32Å; W903-C926 HydrophobicContact CH2-CB 4.45Å; W903-C926 HydrophobicContact CZ3-CB 4.05Å; W903-Y940 HydrophobicContact CH2-CD1 4.03Å; W903-Y940 AromaticContact CZ3-CD1 3.88Å; W903-Y940 HydrophobicContact CZ3-CD1 3.88Å; W903-C943 HydrophobicContact CD2-CB 3.83Å; W903-C943 HydrophobicContact CE3-CB 4.43Å; W903-C943 HydrophobicContact CG-CB 4.25Å; W903-C943 HydrophobicContact CH2-CB 4.21Å; W903-C943 HydrophobicContact CZ2-CB 3.57Å; W903-T945 VanDerWaalsContact CD1-OG1 3.24Å; W903-T945 PolarHBondContact NE1-O 3.15Å; W903-T945 PolarHBondContact NE1-OG1 3.25Å; W903-R947 HydrophobicContact CH2-CB 4.02Å; W903-R947 HydrophobicContact CH2-CG 3.76Å; W903-R947 HydrophobicContact CZ2-CB 3.69Å; W903-R947 HydrophobicContact CZ2-CG 3.95Å; W903-R947 HydrophobicContact CZ3-CG 4.11Å; W903-P948 HydrophobicContact CB-CG 3.71Å; W903-P948 VanDerWaalsContact CD2-CD 3.49Å; W903-P948 HydrophobicContact CD2-CG 4.41Å; W903-P948 HydrophobicContact CG-CG 3.83Å
904	F	82.4	Confident	78.6	Confident	95 Å²	95	81.6 Å²	81.6	42%	0.417	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	120.2	161.2	-178.8	-98.1	0	0	0	109	E902 V924 L925 I927	E902-F904 PolarHBondContact O-N 3.37Å; E902-F904 VanDerWaalsContact O-N 3.14Å; F904-V924 WeakPolarHBondContact O-CA 3.38Å; F904-L925 HydrophobicContact CB-CB 4.29Å; F904-L925 HydrophobicContact CD1-CB 4.49Å; F904-L925 HydrophobicContact CD1-CD1 4.49Å; F904-L925 PolarHBondContact N-O 2.97Å; F904-L925 PolarHBondContact O-N 2.85Å; F904-I927 HydrophobicContact CB-CB 4.38Å; F904-I927 HydrophobicContact CB-CD1 3.85Å; F904-I927 HydrophobicContact CB-CG1 3.86Å; F904-I927 HydrophobicContact CB-CG2 3.69Å; F904-I927 HydrophobicContact CD2-CD1 4.03Å; F904-I927 HydrophobicContact CG-CD1 4.31Å; F904-I927 HydrophobicContact CG-CG2 4.44Å
905	I	84.6	Confident	78	Confident	81 Å²	81	81.8 Å²	81.8	42%	0.415	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	97.6	176.8	-58.1	176.4	0	0	0	106.6	W903 P948	W903-I905 HydrophobicContact CB-CG1 4.5Å; W903-I905 PolarHBondContact O-N 2.03Å; I905-P948 HydrophobicContact CD1-CB 3.81Å; I905-P948 HydrophobicContact CD1-CG 3.61Å; I905-P948 HydrophobicContact CG1-CB 4.08Å; I905-P948 HydrophobicContact CG1-CG 3.87Å
906	G	79.3	Confident	77.5	Confident	15 Å²	15	81.3 Å²	81.3	16%	0.155	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	169.8	170.7	0	0	0	0	0	111.9	R922 A923	G906-R922 WeakPolarHBondContact O-CB 3.36Å; G906-A923 PolarHBondContact N-O 3.22Å
907	D	85.5	Confident	77.4	Confident	152 Å²	152	78.5 Å²	78.5	81%	0.813	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	153.6	174.6	-70.6	-60	0	0	0	112.6	L909 R922	D907-L909 PolarHBondContact O-N 3.49Å; D907-R922 WeakPolarHBondContact O-CB 3.4Å
908	W	80.6	Confident	77.4	Confident	56 Å²	56	71.8 Å²	71.8	21%	0.212	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.9	169.2	-69.3	114.2	0	0	0	110.2	R920 R922 V949 E950 E952	W908-R920 HydrophobicContact CB-CG 4.24Å; W908-R920 HydrophobicContact CD2-CG 3.91Å; W908-R920 HydrophobicContact CE3-CB 4.18Å; W908-R920 HydrophobicContact CE3-CG 3.7Å; W908-R920 HydrophobicContact CG-CG 4.17Å; W908-R920 HydrophobicContact CZ3-CG 4.3Å; W908-R920 VanDerWaalsContact CZ3-O 3.26Å; W908-R920 WeakPolarHBondContact CZ3-O 3.42Å; W908-R922 HydrophobicContact CD2-CB 4.01Å; W908-R922 HydrophobicContact CD2-CG 4.09Å; W908-R922 HydrophobicContact CE3-CB 3.62Å; W908-R922 HydrophobicContact CE3-CG 3.69Å; W908-R922 HydrophobicContact CH2-CG 3.97Å; W908-R922 HydrophobicContact CZ2-CG 4.33Å; W908-R922 VanDerWaalsContact CZ2-NE 3.29Å; W908-R922 HydrophobicContact CZ3-CB 4.06Å; W908-R922 HydrophobicContact CZ3-CG 3.64Å; W908-V949 HydrophobicContact CH2-CG2 4.31Å; W908-V949 VanDerWaalsContact CH2-O 3.31Å; W908-V949 WeakPolarHBondContact CH2-O 3.39Å; W908-V949 HydrophobicContact CZ2-CG2 4.39Å; W908-E950 VanDerWaalsContact CZ3-O 3.3Å; W908-E950 WeakPolarHBondContact CZ3-O 3.18Å; W908-E952 HydrophobicContact CD2-CG 4.4Å; W908-E952 VanDerWaalsContact CE2-CD 3.44Å; W908-E952 HydrophobicContact CE3-CG 4.37Å; W908-E952 HydrophobicContact CH2-CB 3.79Å; W908-E952 HydrophobicContact CH2-CG 3.52Å; W908-E952 HydrophobicContact CZ2-CB 4.11Å; W908-E952 HydrophobicContact CZ2-CG 3.54Å; W908-E952 WeakPolarHBondContact CZ2-OE2 3.5Å; W908-E952 HydrophobicContact CZ3-CB 4.42Å; W908-E952 HydrophobicContact CZ3-CG 3.95Å; W908-E952 PolarHBondContact NE1-OE1 3.5Å
909	L	81.3	Confident	77.8	Confident	114 Å²	114	75 Å²	75	60%	0.597	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-60.8	163.3	166.4	-60.8	174.1	0	0	0	110.3	D907 C911 R920 T921	D907-L909 PolarHBondContact O-N 3.49Å; L909-C911 PolarHBondContact O-N 2.92Å; L909-R920 WeakPolarHBondContact O-CB 3.25Å; L909-T921 VanDerWaalsContact CB-O 3.23Å; L909-T921 WeakPolarHBondContact CB-O 3.23Å; L909-T921 VanDerWaalsContact CG-O 3.3Å; L909-T921 WeakPolarHBondContact CG-O 3.5Å; L909-T921 PolarHBondContact N-O 3.14Å
910	E	77.5	Confident	77.8	Confident	189 Å²	189	78.2 Å²	78.2	88%	0.883	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-52	139.9	175.9	-62.7	-170.5	157.8	0	0	111.6	S912	E910-S912 PolarHBondContact O-N 2.03Å
911	C	80.7	Confident	77.9	Confident	26 Å²	26	76 Å²	76	18%	0.176	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-63.9	131.6	-178.2	-172.4	0	0	0	0	110.4	L909 K913 R920 C954 N955	L909-C911 PolarHBondContact O-N 2.92Å; C911-K913 WeakPolarHBondContact CB-O 3.41Å; C911-K913 CarbonylContact O-C 3.52Å; C911-K913 PolarHBondContact O-N 2.95Å; C911-K913 PolarHBondContact SG-O 2.92Å; C911-R920 HydrophobicContact CB-CB 4.38Å; C911-C954 HydrophobicContact CB-CB 3.97Å; C911-C954 WeakPolarHBondContact CB-SG 3.08Å; C911-C954 VanDerWaalsContact SG-C 3.51Å; C911-C954 WeakPolarHBondContact SG-CB 3.4Å; C911-C954 CovalentContact SG-SG 2.02Å; C911-C954 PolarHBondContact SG-SG 3.18Å; C911-N955 VanDerWaalsContact CB-ND2 3.29Å; C911-N955 WeakPolarHBondContact CB-ND2 3.24Å; C911-N955 PolarHBondContact SG-ND2 2.94Å
912	S	79.8	Confident	78.1	Confident	89 Å²	89	76.5 Å²	76.5	62%	0.622	40%	0.395	S	S	*	.	S	Bend	trans	-61.3	-8.7	-174.6	68.7	0	0	0	0	115.4	E910 M919	E910-S912 PolarHBondContact O-N 2.03Å; S912-M919 VanDerWaalsContact CB-O 3.24Å; S912-M919 WeakPolarHBondContact CB-O 3.45Å; S912-M919 PolarHBondContact N-O 2.95Å; S912-M919 PolarHBondContact OG-N 3.2Å; S912-M919 PolarHBondContact OG-O 3.17Å; S912-M919 VanDerWaalsContact OG-O 3.04Å
913	K	69.9	Low	78.1	Confident	100 Å²	100	72 Å²	72	44%	0.435	38%	0.382	S	S	.	.			trans	-138.1	151.5	160.7	-51.5	-179.3	-166.4	156.8	0	109.4	C911 C915 D916 G917 N955	C911-K913 WeakPolarHBondContact CB-O 3.41Å; C911-K913 CarbonylContact O-C 3.52Å; C911-K913 PolarHBondContact O-N 2.95Å; C911-K913 PolarHBondContact SG-O 2.92Å; K913-C915 VanDerWaalsContact C-N 3.3Å; K913-C915 WeakPolarHBondContact CB-O 3.04Å; K913-C915 VanDerWaalsContact CD-O 3.31Å; K913-C915 WeakPolarHBondContact CD-O 3Å; K913-D916 PolarHBondContact NZ-O 2.68Å; K913-G917 WeakPolarHBondContact CD-O 3.36Å; K913-G917 VanDerWaalsContact CE-O 3.26Å; K913-G917 WeakPolarHBondContact CE-O 3.39Å; K913-G917 PolarHBondContact NZ-O 2.85Å; K913-N955 WeakPolarHBondContact O-CB 3.32Å; K913-N955 PolarHBondContact O-ND2 2.86Å
914	T	70.8	Confident	78.1	Confident	113 Å²	113	70.6 Å²	70.6	69%	0.693	38%	0.377	S	S	*	.	S	Bend	trans	-79.5	-11.7	171.1	46.9	0	0	0	0	113.7	N955 Q957	T914-N955 WeakPolarHBondContact CA-ND2 3.19Å; T914-N955 WeakPolarHBondContact O-CB 3.07Å; T914-Q957 PolarHBondContact O-NE2 3.42Å
915	C	66.9	Low	78.1	Confident	14 Å²	14	69.1 Å²	69.1	10%	0.095	37%	0.373	C	S	.	.	S	Bend	trans	-167.8	178.5	-177.6	48.5	0	0	0	0	110.7	K913 G917 N955 Q957 C959	K913-C915 VanDerWaalsContact C-N 3.3Å; K913-C915 WeakPolarHBondContact CB-O 3.04Å; K913-C915 VanDerWaalsContact CD-O 3.31Å; K913-C915 WeakPolarHBondContact CD-O 3Å; C915-G917 PolarHBondContact O-N 2.85Å; C915-N955 CarbonylContact C-O 3.57Å; C915-N955 WeakPolarHBondContact CA-O 3.46Å; C915-Q957 WeakPolarHBondContact CA-O 3.17Å; C915-Q957 HydrophobicContact CB-CG 4.38Å; C915-Q957 WeakPolarHBondContact CB-O 3.32Å; C915-C959 HydrophobicContact CB-CB 3.83Å; C915-C959 WeakPolarHBondContact CB-SG 3.31Å; C915-C959 WeakPolarHBondContact SG-CA 3.45Å; C915-C959 WeakPolarHBondContact SG-CB 3.41Å; C915-C959 CovalentContact SG-SG 2.03Å; C915-C959 PolarHBondContact SG-SG 3.19Å
916	D	66.8	Low	78	Confident	63 Å²	63	65.2 Å²	65.2	34%	0.337	35%	0.353	S	S	.	.	S	Bend	trans	54.4	34.7	-176.7	-70.1	-20.7	0	0	0	114.1	K913 N955 Q957 S958 C959 S989	K913-D916 PolarHBondContact NZ-O 2.68Å; D916-N955 PolarHBondContact N-O 2.74Å; D916-Q957 PolarHBondContact N-O 2.75Å; D916-S958 VanDerWaalsContact OD1-CA 3.24Å; D916-S958 WeakPolarHBondContact OD1-CA 3.15Å; D916-C959 PolarHBondContact OD1-N 2.82Å; D916-C959 VanDerWaalsContact OD2-CB 3.31Å; D916-C959 WeakPolarHBondContact OD2-CB 3.35Å; D916-C959 PolarHBondContact OD2-SG 2.03Å; D916-S989 VanDerWaalsContact OD2-CB 3.28Å; D916-S989 WeakPolarHBondContact OD2-CB 3.21Å; D916-S989 PolarHBondContact OD2-OG 3.4Å
917	G	69.6	Low	78.2	Confident	25 Å²	25	65.7 Å²	65.7	26%	0.258	35%	0.352	S	S	.	.	S	Bend	trans	70.5	89.7	174	0	0	0	0	0	113.3	K913 C915 N955	K913-G917 WeakPolarHBondContact CD-O 3.36Å; K913-G917 VanDerWaalsContact CE-O 3.26Å; K913-G917 WeakPolarHBondContact CE-O 3.39Å; K913-G917 PolarHBondContact NZ-O 2.85Å; C915-G917 PolarHBondContact O-N 2.85Å; G917-N955 WeakPolarHBondContact CA-O 3.17Å; G917-N955 PolarHBondContact N-O 2.66Å
918	G	76.5	Confident	77.9	Confident	4 Å²	4	62.2 Å²	62.2	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	179.3	168	0	0	0	0	0	112.4	P953 C954	G918-P953 WeakPolarHBondContact O-CA 2.77Å; G918-C954 PolarHBondContact N-O 3.06Å; G918-C954 PolarHBondContact O-N 3.05Å
919	M	80.3	Confident	77.7	Confident	114 Å²	114	64.1 Å²	64.1	56%	0.562	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.2	164.3	-70.7	-177.3	178.4	0	0	108.8	S912 E952	S912-M919 VanDerWaalsContact CB-O 3.24Å; S912-M919 WeakPolarHBondContact CB-O 3.45Å; S912-M919 PolarHBondContact N-O 2.95Å; S912-M919 PolarHBondContact OG-N 3.2Å; S912-M919 PolarHBondContact OG-O 3.17Å; S912-M919 VanDerWaalsContact OG-O 3.04Å; M919-E952 WeakPolarHBondContact CA-O 3.43Å
920	R	79.3	Confident	77.5	Confident	90 Å²	90	61.6 Å²	61.6	34%	0.34	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145.9	168.5	57.4	-170.3	-169	172.2	-1.2	108.2	W908 L909 C911 K951 E952 C954	W908-R920 HydrophobicContact CB-CG 4.24Å; W908-R920 HydrophobicContact CD2-CG 3.91Å; W908-R920 HydrophobicContact CE3-CB 4.18Å; W908-R920 HydrophobicContact CE3-CG 3.7Å; W908-R920 HydrophobicContact CG-CG 4.17Å; W908-R920 HydrophobicContact CZ3-CG 4.3Å; W908-R920 VanDerWaalsContact CZ3-O 3.26Å; W908-R920 WeakPolarHBondContact CZ3-O 3.42Å; L909-R920 WeakPolarHBondContact O-CB 3.25Å; C911-R920 HydrophobicContact CB-CB 4.38Å; R920-K951 VanDerWaalsContact O-CA 3.32Å; R920-K951 WeakPolarHBondContact O-CA 3.41Å; R920-E952 HydrophobicContact CG-CG 3.77Å; R920-E952 IonicContact CZ-OE1 2.87Å; R920-E952 PolarHBondContact N-O 2.8Å; R920-E952 IonicContact NE-OE1 3.75Å; R920-E952 PolarHBondContact NE-OE1 3.29Å; R920-E952 IonicContact NH2-OE1 3.87Å; R920-E952 PolarHBondContact NH2-OE1 2.89Å; R920-E952 PolarHBondContact O-N 2.76Å; R920-E952 VanDerWaalsContact O-N 3.09Å; R920-C954 HydrophobicContact CB-CB 4.48Å; R920-C954 VanDerWaalsContact CB-SG 3.55Å; R920-C954 HydrophobicContact CG-CB 3.95Å; R920-C954 PolarHBondContact N-SG 3.48Å
921	T	81.9	Confident	77.4	Confident	48 Å²	48	53.1 Å²	53.1	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.8	-176.8	61.2	0	0	0	0	109.2	L909 E950 K951	L909-T921 VanDerWaalsContact CB-O 3.23Å; L909-T921 WeakPolarHBondContact CB-O 3.23Å; L909-T921 VanDerWaalsContact CG-O 3.3Å; L909-T921 WeakPolarHBondContact CG-O 3.5Å; L909-T921 PolarHBondContact N-O 3.14Å; T921-E950 CarbonylContact C-O 3.58Å; T921-E950 VanDerWaalsContact CA-O 3.25Å; T921-E950 WeakPolarHBondContact CA-O 3.42Å; T921-K951 HydrophobicContact CG2-CB 4.24Å; T921-K951 HydrophobicContact CG2-CD 3.79Å; T921-K951 HydrophobicContact CG2-CG 3.75Å
922	R	81.3	Confident	76.6	Confident	45 Å²	45	57.7 Å²	57.7	17%	0.17	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	156.8	175.9	63.7	-175	168.7	-175.7	-6.7	110.9	G906 D907 W908 V924 V949 E950	G906-R922 WeakPolarHBondContact O-CB 3.36Å; D907-R922 WeakPolarHBondContact O-CB 3.4Å; W908-R922 HydrophobicContact CD2-CB 4.01Å; W908-R922 HydrophobicContact CD2-CG 4.09Å; W908-R922 HydrophobicContact CE3-CB 3.62Å; W908-R922 HydrophobicContact CE3-CG 3.69Å; W908-R922 HydrophobicContact CH2-CG 3.97Å; W908-R922 HydrophobicContact CZ2-CG 4.33Å; W908-R922 VanDerWaalsContact CZ2-NE 3.29Å; W908-R922 HydrophobicContact CZ3-CB 4.06Å; W908-R922 HydrophobicContact CZ3-CG 3.64Å; R922-V924 HydrophobicContact CG-CG2 3.87Å; R922-V924 PolarHBondContact O-N 2.84Å; R922-V924 VanDerWaalsContact O-N 3.17Å; R922-V949 VanDerWaalsContact CZ-O 3.29Å; R922-V949 PolarHBondContact NE-O 3.17Å; R922-V949 PolarHBondContact NH2-O 3.3Å; R922-E950 PolarHBondContact N-O 3.39Å; R922-E950 WeakPolarHBondContact O-CG 3.39Å
923	A	80.1	Confident	75.7	Confident	46 Å²	46	59 Å²	59	38%	0.38	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	115	168.5	0	0	0	0	0	109.1	G906 L925	G906-A923 PolarHBondContact N-O 3.22Å; A923-L925 HydrophobicContact CB-CG 4.48Å
924	V	84.9	Confident	75.7	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.024	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	95.7	168	179.3	0	0	0	0	106.5	W903 F904 R922 Y940 R947 P948 E950	W903-V924 HydrophobicContact CD2-CG1 4.29Å; W903-V924 HydrophobicContact CE3-CG1 3.5Å; W903-V924 HydrophobicContact CZ3-CG1 3.83Å; F904-V924 WeakPolarHBondContact O-CA 3.38Å; R922-V924 HydrophobicContact CG-CG2 3.87Å; R922-V924 PolarHBondContact O-N 2.84Å; R922-V924 VanDerWaalsContact O-N 3.17Å; V924-Y940 WeakPolarHBondContact O-CE1 3.44Å; V924-R947 HydrophobicContact CG1-CG 4.17Å; V924-P948 HydrophobicContact CG1-CB 4.18Å; V924-P948 HydrophobicContact CG1-CG 4.27Å; V924-P948 HydrophobicContact CG2-CB 4.39Å; V924-E950 HydrophobicContact CB-CB 4.32Å; V924-E950 HydrophobicContact CB-CG 4.36Å; V924-E950 HydrophobicContact CG2-CB 3.94Å; V924-E950 HydrophobicContact CG2-CG 4.22Å
925	L	82.4	Confident	75.9	Confident	63 Å²	63	59.8 Å²	59.8	33%	0.33	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.7	-177.4	-60.2	177.2	0	0	0	109	W903 F904 A923 I927 T937	W903-L925 CarbonylContact C-O 3.54Å; F904-L925 HydrophobicContact CB-CB 4.29Å; F904-L925 HydrophobicContact CD1-CB 4.49Å; F904-L925 HydrophobicContact CD1-CD1 4.49Å; F904-L925 PolarHBondContact N-O 2.97Å; F904-L925 PolarHBondContact O-N 2.85Å; A923-L925 HydrophobicContact CB-CG 4.48Å; L925-I927 HydrophobicContact CB-CG2 4.06Å; L925-T937 HydrophobicContact CB-CG2 4.33Å; L925-T937 HydrophobicContact CD2-CG2 4.4Å
926	C	83.1	Confident	76.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.7	168.1	-176.3	0	0	0	0	107.3	W903 L938 C943	W903-C926 HydrophobicContact CE3-CB 4.32Å; W903-C926 HydrophobicContact CH2-CB 4.45Å; W903-C926 HydrophobicContact CZ3-CB 4.05Å; C926-L938 HydrophobicContact CB-CB 4.47Å; C926-L938 PolarHBondContact O-N 3.42Å; C926-C943 WeakPolarHBondContact CA-SG 3.35Å; C926-C943 HydrophobicContact CB-CB 3.98Å; C926-C943 WeakPolarHBondContact CB-SG 3.48Å; C926-C943 WeakPolarHBondContact SG-CB 3.29Å; C926-C943 PolarHBondContact SG-N 2.86Å; C926-C943 CovalentContact SG-SG 2.04Å; C926-C943 PolarHBondContact SG-SG 2.93Å
927	I	82.3	Confident	77.2	Confident	24 Å²	24	63.8 Å²	63.8	12%	0.123	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.6	-178.9	71	167.4	0	0	0	111.1	P901 E902 F904 L925 E936	P901-I927 CarbonylContact C-O 3.57Å; P901-I927 VanDerWaalsContact CA-O 3.29Å; P901-I927 WeakPolarHBondContact CA-O 3.39Å; E902-I927 PolarHBondContact N-O 3.04Å; E902-I927 PolarHBondContact O-N 3.05Å; F904-I927 HydrophobicContact CB-CB 4.38Å; F904-I927 HydrophobicContact CB-CD1 3.85Å; F904-I927 HydrophobicContact CB-CG1 3.86Å; F904-I927 HydrophobicContact CB-CG2 3.69Å; F904-I927 HydrophobicContact CD2-CD1 4.03Å; F904-I927 HydrophobicContact CG-CD1 4.31Å; F904-I927 HydrophobicContact CG-CG2 4.44Å; L925-I927 HydrophobicContact CB-CG2 4.06Å; I927-E936 CarbonylContact C-O 3.55Å; I927-E936 WeakPolarHBondContact CA-O 3Å
928	R	80	Confident	77.7	Confident	79 Å²	79	64.6 Å²	64.6	30%	0.298	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.3	174.7	179.3	163	72	168.4	-0.9	108.5	P898 C899 P901 I930 E936 L938	P898-R928 HydrophobicContact CB-CG 3.73Å; C899-R928 WeakPolarHBondContact O-CG 2.96Å; P901-R928 HydrophobicContact CB-CB 4.23Å; R928-I930 HydrophobicContact CG-CG2 4.02Å; R928-I930 PolarHBondContact O-N 3.42Å; R928-E936 IonicContact CZ-OE2 3.73Å; R928-E936 PolarHBondContact N-O 3.02Å; R928-E936 IonicContact NE-OE2 3.25Å; R928-E936 PolarHBondContact NE-OE2 2.7Å; R928-E936 IonicContact NH2-OE1 3.88Å; R928-E936 IonicContact NH2-OE2 2.67Å; R928-E936 PolarHBondContact NH2-OE2 3.13Å; R928-E936 PolarHBondContact O-N 3.42Å; R928-L938 HydrophobicContact CB-CD1 3.87Å; R928-L938 HydrophobicContact CB-CG 4.04Å
929	K	77.1	Confident	77.9	Confident	96 Å²	96	69.2 Å²	69.2	42%	0.417	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	120.9	168.1	-57.2	-173.7	-175.7	-100.6	0	107.5	A857 P898 C899 E935	A857-K929 HydrophobicContact CB-CB 3.46Å; A857-K929 VanDerWaalsContact CB-CB 3.46Å; A857-K929 WeakPolarHBondContact CB-O 3.32Å; P898-K929 CarbonylContact C-O 3.43Å; P898-K929 VanDerWaalsContact CA-O 3.3Å; P898-K929 WeakPolarHBondContact CA-O 3.45Å; C899-K929 HydrophobicContact CB-CB 4.27Å; C899-K929 PolarHBondContact N-O 2.75Å; K929-E935 WeakPolarHBondContact CE-OE1 3.34Å; K929-E935 HydrophobicContact CG-CG 4.19Å; K929-E935 IonicContact NZ-OE1 3.99Å; K929-E935 PolarHBondContact NZ-OE1 2.85Å
930	I	77.3	Confident	77.6	Confident	61 Å²	61	68.8 Å²	68.8	31%	0.313	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-19.8	-179.2	55.6	165.2	0	0	0	112	P898 R928 E934 E936	P898-I930 HydrophobicContact CB-CG2 4.06Å; P898-I930 HydrophobicContact CG-CB 4.5Å; P898-I930 HydrophobicContact CG-CG2 4.09Å; R928-I930 HydrophobicContact CG-CG2 4.02Å; R928-I930 PolarHBondContact O-N 3.42Å; I930-E934 HydrophobicContact CD1-CB 4.09Å; I930-E934 HydrophobicContact CG1-CB 3.73Å; I930-E934 VanDerWaalsContact CG1-O 3.26Å; I930-E934 WeakPolarHBondContact CG1-O 3.49Å; I930-E934 PolarHBondContact N-O 3.1Å; I930-E936 HydrophobicContact CD1-CB 4.22Å; I930-E936 HydrophobicContact CG1-CB 4.37Å; I930-E936 HydrophobicContact CG2-CB 3.85Å; I930-E936 WeakPolarHBondContact CG2-OE2 3.33Å
931	G	74	Confident	77.3	Confident	12 Å²	12	69 Å²	69	12%	0.124	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	178.7	173.5	0	0	0	0	0	112.4	A857 S933 E934	A857-G931 CarbonylContact O-C 3.5Å; A857-G931 VanDerWaalsContact O-CA 3.26Å; A857-G931 WeakPolarHBondContact O-CA 3.35Å; G931-S933 PolarHBondContact O-N 2.91Å; G931-E934 PolarHBondContact N-O 2.02Å; G931-E934 VanDerWaalsContact N-O 3.12Å; G931-E934 PolarHBondContact O-N 3.29Å
932	P	64.5	Low	76.9	Confident	122 Å²	122	68 Å²	68	79%	0.792	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.5	-171.7	-26.5	35.1	0	0	0	115.2	A857	A857-P932 WeakPolarHBondContact O-CD 3.4Å
933	S	60.7	Low	76.9	Confident	115 Å²	115	66.2 Å²	66.2	80%	0.804	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	21.2	175	63.5	0	0	0	0	112.3	G931	G931-S933 PolarHBondContact O-N 2.91Å
934	E	69.4	Low	76.6	Confident	124 Å²	124	72.1 Å²	72.1	58%	0.579	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.3	-179.6	-68.9	-169.5	153	0	0	109.9	I930 G931	I930-E934 HydrophobicContact CD1-CB 4.09Å; I930-E934 HydrophobicContact CG1-CB 3.73Å; I930-E934 VanDerWaalsContact CG1-O 3.26Å; I930-E934 WeakPolarHBondContact CG1-O 3.49Å; I930-E934 PolarHBondContact N-O 3.1Å; G931-E934 PolarHBondContact N-O 2.02Å; G931-E934 VanDerWaalsContact N-O 3.12Å; G931-E934 PolarHBondContact O-N 3.29Å
935	E	76.3	Confident	75.9	Confident	107 Å²	107	76.5 Å²	76.5	50%	0.5	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.5	-179.2	-55.7	-166.8	156.9	0	0	109.9	K929	K929-E935 WeakPolarHBondContact CE-OE1 3.34Å; K929-E935 HydrophobicContact CG-CG 4.19Å; K929-E935 IonicContact NZ-OE1 3.99Å; K929-E935 PolarHBondContact NZ-OE1 2.85Å
936	E	79.4	Confident	75.5	Confident	70 Å²	70	82 Å²	82	33%	0.327	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.8	-179.2	-174.6	-172.4	-156.4	0	0	109.2	I927 R928 I930 L938	I927-E936 CarbonylContact C-O 3.55Å; I927-E936 WeakPolarHBondContact CA-O 3Å; R928-E936 IonicContact CZ-OE2 3.73Å; R928-E936 PolarHBondContact N-O 3.02Å; R928-E936 IonicContact NE-OE2 3.25Å; R928-E936 PolarHBondContact NE-OE2 2.7Å; R928-E936 IonicContact NH2-OE1 3.88Å; R928-E936 IonicContact NH2-OE2 2.67Å; R928-E936 PolarHBondContact NH2-OE2 3.13Å; R928-E936 PolarHBondContact O-N 3.42Å; I930-E936 HydrophobicContact CD1-CB 4.22Å; I930-E936 HydrophobicContact CG1-CB 4.37Å; I930-E936 HydrophobicContact CG2-CB 3.85Å; I930-E936 WeakPolarHBondContact CG2-OE2 3.33Å; E936-L938 HydrophobicContact CG-CD2 3.96Å
937	T	80.7	Confident	75.4	Confident	90 Å²	90	86 Å²	86	55%	0.552	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.5	171.3	-57.9	0	0	0	0	109.4	L925	L925-T937 HydrophobicContact CB-CG2 4.33Å; L925-T937 HydrophobicContact CD2-CG2 4.4Å
938	L	80.4	Confident	75.3	Confident	42 Å²	42	86.1 Å²	86.1	22%	0.22	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	166.1	178	-60.5	-173.1	0	0	0	111.9	P901 C926 R928 E936	P901-L938 HydrophobicContact CB-CD1 3.78Å; P901-L938 HydrophobicContact CG-CD1 4.24Å; C926-L938 HydrophobicContact CB-CB 4.47Å; C926-L938 PolarHBondContact O-N 3.42Å; R928-L938 HydrophobicContact CB-CD1 3.87Å; R928-L938 HydrophobicContact CB-CG 4.04Å; E936-L938 HydrophobicContact CG-CD2 3.96Å
939	D	80.4	Confident	75.2	Confident	101 Å²	101	86.2 Å²	86.2	54%	0.54	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-61.9	153.7	164.5	175.5	57.9	0	0	0	111.6	S941 G942	D939-S941 PolarHBondContact O-N 3.04Å; D939-S941 VanDerWaalsContact OD2-CB 3.25Å; D939-S941 WeakPolarHBondContact OD2-CB 3.31Å; D939-S941 PolarHBondContact OD2-N 3.3Å; D939-S941 PolarHBondContact OD2-OG 3.07Å; D939-G942 PolarHBondContact O-N 3.17Å
940	Y	73.7	Confident	75.4	Confident	106 Å²	106	84.2 Å²	84.2	42%	0.416	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.9	179.5	-57.4	-57.5	0	0	0	114.7	W903 V924 G942 R947	W903-Y940 HydrophobicContact CH2-CD1 4.03Å; W903-Y940 AromaticContact CZ3-CD1 3.88Å; W903-Y940 HydrophobicContact CZ3-CD1 3.88Å; V924-Y940 WeakPolarHBondContact O-CE1 3.44Å; Y940-G942 VanDerWaalsContact C-N 3.3Å; Y940-R947 VanDerWaalsContact CD2-NH1 3.29Å
941	S	73.6	Confident	75.6	Confident	95 Å²	95	87.1 Å²	87.1	66%	0.664	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.9	176.1	58.7	0	0	0	0	114.7	D939	D939-S941 PolarHBondContact O-N 3.04Å; D939-S941 VanDerWaalsContact OD2-CB 3.25Å; D939-S941 WeakPolarHBondContact OD2-CB 3.31Å; D939-S941 PolarHBondContact OD2-N 3.3Å; D939-S941 PolarHBondContact OD2-OG 3.07Å
942	G	72.6	Confident	75.9	Confident	25 Å²	25	89 Å²	89	26%	0.258	48%	0.477	S	S	.	.	S	Bend	trans	-70.3	-36.3	179.8	0	0	0	0	0	113.8	P901 D939 Y940 L944	P901-G942 WeakPolarHBondContact CG-O 3.46Å; D939-G942 PolarHBondContact O-N 3.17Å; Y940-G942 VanDerWaalsContact C-N 3.3Å; G942-L944 PolarHBondContact O-N 2.67Å
943	C	81.1	Confident	76.6	Confident	8 Å²	8	88.4 Å²	88.4	5%	0.054	47%	0.473	C	S	.	.			trans	-87.7	100	-173.6	-71.8	0	0	0	0	110.8	P901 E902 W903 C926 T945	P901-C943 PolarHBondContact O-SG 3.29Å; P901-C943 VanDerWaalsContact O-SG 3.39Å; E902-C943 PolarHBondContact O-SG 3.48Å; W903-C943 HydrophobicContact CD2-CB 3.83Å; W903-C943 HydrophobicContact CE3-CB 4.43Å; W903-C943 HydrophobicContact CG-CB 4.25Å; W903-C943 HydrophobicContact CH2-CB 4.21Å; W903-C943 HydrophobicContact CZ2-CB 3.57Å; C926-C943 WeakPolarHBondContact CA-SG 3.35Å; C926-C943 HydrophobicContact CB-CB 3.98Å; C926-C943 WeakPolarHBondContact CB-SG 3.48Å; C926-C943 WeakPolarHBondContact SG-CB 3.29Å; C926-C943 PolarHBondContact SG-N 2.86Å; C926-C943 CovalentContact SG-SG 2.04Å; C926-C943 PolarHBondContact SG-SG 2.93Å; C943-T945 PolarHBondContact O-N 3.12Å
944	L	74.3	Confident	77.3	Confident	171 Å²	171	83.7 Å²	83.7	90%	0.895	44%	0.44	S	S	*	.			trans	-69.9	-11.4	-171.5	-59.6	178	0	0	0	115.2	G942	G942-L944 PolarHBondContact O-N 2.67Å
945	T	71.4	Confident	77.4	Confident	95 Å²	95	80.3 Å²	80.3	58%	0.583	43%	0.426	S	S	*	.	S	Bend	trans	-85.1	155.6	176.3	51.3	0	0	0	0	111.3	W903 C943 R947	W903-T945 VanDerWaalsContact CD1-OG1 3.24Å; W903-T945 PolarHBondContact NE1-O 3.15Å; W903-T945 PolarHBondContact NE1-OG1 3.25Å; C943-T945 PolarHBondContact O-N 3.12Å; T945-R947 PolarHBondContact O-N 3.25Å; T945-R947 VanDerWaalsContact O-N 3.12Å
946	H	73.9	Confident	76.9	Confident	179 Å²	179	82 Å²	82	83%	0.829	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-57.6	118.9	-175	-176.6	-66.3	0	0	0	111.9	P948	H946-P948 WeakPolarHBondContact O-CD 3.49Å
947	R	80.6	Confident	76.2	Confident	85 Å²	85	83.4 Å²	83.4	32%	0.321	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-47.2	121.4	179.8	-178	173.6	177.4	148.2	-0.9	111.3	W903 V924 Y940 T945 E950	W903-R947 HydrophobicContact CH2-CB 4.02Å; W903-R947 HydrophobicContact CH2-CG 3.76Å; W903-R947 HydrophobicContact CZ2-CB 3.69Å; W903-R947 HydrophobicContact CZ2-CG 3.95Å; W903-R947 HydrophobicContact CZ3-CG 4.11Å; V924-R947 HydrophobicContact CG1-CG 4.17Å; Y940-R947 VanDerWaalsContact CD2-NH1 3.29Å; T945-R947 PolarHBondContact O-N 3.25Å; T945-R947 VanDerWaalsContact O-N 3.12Å; R947-E950 IonicContact CZ-OE2 3.57Å; R947-E950 IonicContact NE-OE2 3.34Å; R947-E950 IonicContact NH2-OE2 3.18Å; R947-E950 PolarHBondContact NH2-OE2 3.44Å
948	P	80.7	Confident	75.2	Confident	25 Å²	25	84 Å²	84	16%	0.162	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-58.2	148.3	174.2	-27.3	35.6	0	0	0	111.6	W903 I905 V924 H946 E950	W903-P948 HydrophobicContact CB-CG 3.71Å; W903-P948 VanDerWaalsContact CD2-CD 3.49Å; W903-P948 HydrophobicContact CD2-CG 4.41Å; W903-P948 HydrophobicContact CG-CG 3.83Å; I905-P948 HydrophobicContact CD1-CB 3.81Å; I905-P948 HydrophobicContact CD1-CG 3.61Å; I905-P948 HydrophobicContact CG1-CB 4.08Å; I905-P948 HydrophobicContact CG1-CG 3.87Å; V924-P948 HydrophobicContact CG1-CB 4.18Å; V924-P948 HydrophobicContact CG1-CG 4.27Å; V924-P948 HydrophobicContact CG2-CB 4.39Å; H946-P948 WeakPolarHBondContact O-CD 3.49Å; P948-E950 PolarHBondContact O-N 3.46Å
949	V	78	Confident	74.3	Confident	82 Å²	82	83.3 Å²	83.3	50%	0.497	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-60.9	116.7	176.4	-67.5	0	0	0	0	109.9	W908 R922 K951	W908-V949 HydrophobicContact CH2-CG2 4.31Å; W908-V949 VanDerWaalsContact CH2-O 3.31Å; W908-V949 WeakPolarHBondContact CH2-O 3.39Å; W908-V949 HydrophobicContact CZ2-CG2 4.39Å; R922-V949 VanDerWaalsContact CZ-O 3.29Å; R922-V949 PolarHBondContact NE-O 3.17Å; R922-V949 PolarHBondContact NH2-O 3.3Å; V949-K951 VanDerWaalsContact C-N 3.35Å
950	E	81	Confident	73.6	Confident	53 Å²	53	82.4 Å²	82.4	25%	0.248	45%	0.45	C	S	.	.	S	Bend	trans	-79.3	-23.3	179.2	-173.3	-164.5	116.7	0	0	111.8	W908 T921 R922 V924 R947 P948	W908-E950 VanDerWaalsContact CZ3-O 3.3Å; W908-E950 WeakPolarHBondContact CZ3-O 3.18Å; T921-E950 CarbonylContact C-O 3.58Å; T921-E950 VanDerWaalsContact CA-O 3.25Å; T921-E950 WeakPolarHBondContact CA-O 3.42Å; R922-E950 PolarHBondContact N-O 3.39Å; R922-E950 WeakPolarHBondContact O-CG 3.39Å; V924-E950 HydrophobicContact CB-CB 4.32Å; V924-E950 HydrophobicContact CB-CG 4.36Å; V924-E950 HydrophobicContact CG2-CB 3.94Å; V924-E950 HydrophobicContact CG2-CG 4.22Å; R947-E950 IonicContact CZ-OE2 3.57Å; R947-E950 IonicContact NE-OE2 3.34Å; R947-E950 IonicContact NH2-OE2 3.18Å; R947-E950 PolarHBondContact NH2-OE2 3.44Å; P948-E950 PolarHBondContact O-N 3.46Å
951	K	81.9	Confident	73.4	Confident	123 Å²	123	78.2 Å²	78.2	54%	0.535	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132.9	-175.7	-44.1	-165.8	179.7	-178	0	109.2	R920 T921 V949	R920-K951 VanDerWaalsContact O-CA 3.32Å; R920-K951 WeakPolarHBondContact O-CA 3.41Å; T921-K951 HydrophobicContact CG2-CB 4.24Å; T921-K951 HydrophobicContact CG2-CD 3.79Å; T921-K951 HydrophobicContact CG2-CG 3.75Å; V949-K951 VanDerWaalsContact C-N 3.35Å
952	E	79.8	Confident	73.6	Confident	52 Å²	52	79.4 Å²	79.4	24%	0.243	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.8	176	74.4	179.3	-166.9	0	0	111.7	W908 M919 R920	W908-E952 HydrophobicContact CD2-CG 4.4Å; W908-E952 VanDerWaalsContact CE2-CD 3.44Å; W908-E952 HydrophobicContact CE3-CG 4.37Å; W908-E952 HydrophobicContact CH2-CB 3.79Å; W908-E952 HydrophobicContact CH2-CG 3.52Å; W908-E952 HydrophobicContact CZ2-CB 4.11Å; W908-E952 HydrophobicContact CZ2-CG 3.54Å; W908-E952 WeakPolarHBondContact CZ2-OE2 3.5Å; W908-E952 HydrophobicContact CZ3-CB 4.42Å; W908-E952 HydrophobicContact CZ3-CG 3.95Å; W908-E952 PolarHBondContact NE1-OE1 3.5Å; M919-E952 WeakPolarHBondContact CA-O 3.43Å; R920-E952 HydrophobicContact CG-CG 3.77Å; R920-E952 IonicContact CZ-OE1 2.87Å; R920-E952 PolarHBondContact N-O 2.8Å; R920-E952 IonicContact NE-OE1 3.75Å; R920-E952 PolarHBondContact NE-OE1 3.29Å; R920-E952 IonicContact NH2-OE1 3.87Å; R920-E952 PolarHBondContact NH2-OE1 2.89Å; R920-E952 PolarHBondContact O-N 2.76Å; R920-E952 VanDerWaalsContact O-N 3.09Å
953	P	79.1	Confident	74.1	Confident	108 Å²	108	79.5 Å²	79.5	70%	0.701	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.9	175.8	29.3	-34.8	0	0	0	110.7	G918	G918-P953 WeakPolarHBondContact O-CA 2.77Å
954	C	74.1	Confident	74.2	Confident	16 Å²	16	81 Å²	81	11%	0.108	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.4	-179	50.2	0	0	0	0	110.5	C911 G918 R920 N956	C911-C954 HydrophobicContact CB-CB 3.97Å; C911-C954 WeakPolarHBondContact CB-SG 3.08Å; C911-C954 VanDerWaalsContact SG-C 3.51Å; C911-C954 WeakPolarHBondContact SG-CB 3.4Å; C911-C954 CovalentContact SG-SG 2.02Å; C911-C954 PolarHBondContact SG-SG 3.18Å; G918-C954 PolarHBondContact N-O 3.06Å; G918-C954 PolarHBondContact O-N 3.05Å; R920-C954 HydrophobicContact CB-CB 4.48Å; R920-C954 VanDerWaalsContact CB-SG 3.55Å; R920-C954 HydrophobicContact CG-CB 3.95Å; R920-C954 PolarHBondContact N-SG 3.48Å; C954-N956 PolarHBondContact O-N 2.72Å
955	N	72.4	Confident	74.6	Confident	53 Å²	53	74.6 Å²	74.6	28%	0.283	40%	0.404	S	S	.	.			trans	51.4	53.3	-180	-69	-25.5	0	0	0	113.7	C911 K913 T914 C915 D916 G917 Q957	C911-N955 VanDerWaalsContact CB-ND2 3.29Å; C911-N955 WeakPolarHBondContact CB-ND2 3.24Å; C911-N955 PolarHBondContact SG-ND2 2.94Å; K913-N955 WeakPolarHBondContact O-CB 3.32Å; K913-N955 PolarHBondContact O-ND2 2.86Å; T914-N955 WeakPolarHBondContact CA-ND2 3.19Å; T914-N955 WeakPolarHBondContact O-CB 3.07Å; C915-N955 CarbonylContact C-O 3.57Å; C915-N955 WeakPolarHBondContact CA-O 3.46Å; D916-N955 PolarHBondContact N-O 2.74Å; G917-N955 WeakPolarHBondContact CA-O 3.17Å; G917-N955 PolarHBondContact N-O 2.66Å; N955-Q957 VanDerWaalsContact C-OE1 3.26Å; N955-Q957 VanDerWaalsContact CA-OE1 3.23Å; N955-Q957 VanDerWaalsContact CB-NE2 3.34Å; N955-Q957 VanDerWaalsContact CG-NE2 3.33Å; N955-Q957 PolarHBondContact O-N 2.81Å; N955-Q957 PolarHBondContact OD1-NE2 2.64Å
956	N	65.1	Low	75.1	Confident	142 Å²	142	74 Å²	74	76%	0.759	40%	0.397	S	S	*	.			trans	-78.6	-0.2	-178.8	-155.1	42.2	0	0	0	113.5	C954	C954-N956 PolarHBondContact O-N 2.72Å
957	Q	65	Low	75.6	Confident	101 Å²	101	72.7 Å²	72.7	47%	0.472	40%	0.396	S	S	.	.	S	Bend	trans	-66	139.1	166.5	63.1	-79.2	1	0	0	111.1	T914 C915 D916 N955	T914-Q957 PolarHBondContact O-NE2 3.42Å; C915-Q957 WeakPolarHBondContact CA-O 3.17Å; C915-Q957 HydrophobicContact CB-CG 4.38Å; C915-Q957 WeakPolarHBondContact CB-O 3.32Å; D916-Q957 PolarHBondContact N-O 2.75Å; N955-Q957 VanDerWaalsContact C-OE1 3.26Å; N955-Q957 VanDerWaalsContact CA-OE1 3.23Å; N955-Q957 VanDerWaalsContact CB-NE2 3.34Å; N955-Q957 VanDerWaalsContact CG-NE2 3.33Å; N955-Q957 PolarHBondContact O-N 2.81Å; N955-Q957 PolarHBondContact OD1-NE2 2.64Å
958	S	60	Low	75.8	Confident	102 Å²	102	72.3 Å²	72.3	71%	0.713	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-61	143	174.3	-47.3	0	0	0	0	111.2	D916	D916-S958 VanDerWaalsContact OD1-CA 3.24Å; D916-S958 WeakPolarHBondContact OD1-CA 3.15Å
959	C	61.3	Low	75.9	Confident	27 Å²	27	73.4 Å²	73.4	18%	0.182	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-64.7	140.3	175.9	-74.8	0	0	0	0	111.8	C915 D916	C915-C959 HydrophobicContact CB-CB 3.83Å; C915-C959 WeakPolarHBondContact CB-SG 3.31Å; C915-C959 WeakPolarHBondContact SG-CA 3.45Å; C915-C959 WeakPolarHBondContact SG-CB 3.41Å; C915-C959 CovalentContact SG-SG 2.03Å; C915-C959 PolarHBondContact SG-SG 3.19Å; D916-C959 PolarHBondContact OD1-N 2.82Å; D916-C959 VanDerWaalsContact OD2-CB 3.31Å; D916-C959 WeakPolarHBondContact OD2-CB 3.35Å; D916-C959 PolarHBondContact OD2-SG 2.03Å
960	P	65.6	Low	76	Confident	82 Å²	82	75.4 Å²	75.4	53%	0.532	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-61	142.4	169.1	27.8	-33.9	0	0	0	109.3
961	P	70.4	Confident	75.9	Confident	19 Å²	19	73.1 Å²	73.1	12%	0.123	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-66.7	152.9	-178.6	30.2	-35.3	0	0	0	111.1	K987 F995 Q999 C1000	P961-K987 CarbonylContact C-O 3.52Å; P961-K987 WeakPolarHBondContact CA-O 3.26Å; P961-K987 WeakPolarHBondContact CB-O 2.92Å; P961-F995 HydrophobicContact CB-CD2 3.56Å; P961-F995 HydrophobicContact CB-CE2 3.96Å; P961-F995 HydrophobicContact CG-CD2 4.07Å; P961-Q999 HydrophobicContact CG-CB 3.99Å; P961-Q999 VanDerWaalsContact CG-O 3.24Å; P961-Q999 WeakPolarHBondContact CG-O 3.22Å; P961-C1000 PolarHBondContact O-SG 3.26Å
962	Q	76.3	Confident	75.6	Confident	119 Å²	119	71 Å²	71	56%	0.556	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.9	-172.9	-62	-175.3	-5.4	0	0	111.5	V964 K987 C1000	Q962-V964 PolarHBondContact O-N 3.07Å; Q962-K987 PolarHBondContact N-O 3.23Å; Q962-K987 PolarHBondContact O-N 3.37Å; Q962-C1000 VanDerWaalsContact C-SG 3.51Å
963	W	83.4	Confident	74.8	Confident	28 Å²	28	71.2 Å²	71.2	11%	0.106	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	110.7	175.1	-71.7	109.4	0	0	0	112	V984 C986 A997 C1000 P1001 S1004 K1005 P1006	W963-V984 HydrophobicContact CE3-CB 4.08Å; W963-V984 HydrophobicContact CE3-CG2 3.91Å; W963-V984 HydrophobicContact CZ3-CB 4.5Å; W963-V984 HydrophobicContact CZ3-CG2 3.91Å; W963-C986 HydrophobicContact CE3-CB 4.31Å; W963-C986 HydrophobicContact CZ3-CB 4.21Å; W963-A997 HydrophobicContact CH2-CB 3.82Å; W963-A997 WeakPolarHBondContact CH2-O 3.16Å; W963-A997 WeakPolarHBondContact CZ2-O 3.49Å; W963-A997 HydrophobicContact CZ3-CB 4.45Å; W963-C1000 HydrophobicContact CD2-CB 3.76Å; W963-C1000 HydrophobicContact CE3-CB 4.46Å; W963-C1000 HydrophobicContact CG-CB 4Å; W963-C1000 HydrophobicContact CZ2-CB 3.84Å; W963-P1001 PolarHBondContact NE1-O 3.47Å; W963-S1004 VanDerWaalsContact CD1-OG 3.28Å; W963-K1005 HydrophobicContact CD2-CB 4.37Å; W963-K1005 HydrophobicContact CD2-CG 4.11Å; W963-K1005 HydrophobicContact CE3-CG 4.5Å; W963-K1005 HydrophobicContact CG-CB 4.49Å; W963-K1005 HydrophobicContact CH2-CD 4.13Å; W963-K1005 HydrophobicContact CH2-CG 4.25Å; W963-K1005 HydrophobicContact CZ2-CB 4.26Å; W963-K1005 HydrophobicContact CZ2-CD 3.78Å; W963-K1005 HydrophobicContact CZ2-CG 3.85Å; W963-P1006 HydrophobicContact CB-CG 3.96Å
964	V	83.7	Confident	74.2	Confident	40 Å²	40	72.9 Å²	72.9	24%	0.242	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.7	173.7	-177.8	0	0	0	0	108.6	Q962 L985 K987 L991	Q962-V964 PolarHBondContact O-N 3.07Å; V964-L985 PolarHBondContact N-O 3.13Å; V964-L985 PolarHBondContact O-N 2.91Å; V964-K987 HydrophobicContact CB-CD 4.19Å; V964-K987 HydrophobicContact CB-CG 4.48Å; V964-K987 HydrophobicContact CG2-CB 3.82Å; V964-K987 HydrophobicContact CG2-CD 3.9Å; V964-K987 HydrophobicContact CG2-CG 4.12Å; V964-L991 HydrophobicContact CG2-CD2 3.47Å; V964-L991 VanDerWaalsContact CG2-CD2 3.47Å
965	A	82.2	Confident	74.1	Confident	35 Å²	35	72.9 Å²	72.9	29%	0.289	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.2	173.8	0	0	0	0	0	110.5	V984 P1006	A965-V984 HydrophobicContact CB-CG1 4Å; A965-P1006 HydrophobicContact CB-CB 4.02Å; A965-P1006 HydrophobicContact CB-CG 4.15Å
966	L	83.4	Confident	74	Confident	82 Å²	82	70.7 Å²	70.7	43%	0.429	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-76	171.5	170	-66.7	173.5	0	0	0	110.9	R982 I983 L985	L966-R982 WeakPolarHBondContact O-CB 3.41Å; L966-R982 WeakPolarHBondContact O-CD 3.34Å; L966-I983 WeakPolarHBondContact CB-O 3.33Å; L966-I983 HydrophobicContact CD1-CB 4.11Å; L966-I983 HydrophobicContact CD1-CG2 4.2Å; L966-I983 PolarHBondContact N-O 3.43Å; L966-L985 HydrophobicContact CD1-CD1 3.9Å; L966-L985 HydrophobicContact CD1-CG 4.36Å
967	D	84.4	Confident	74.4	Confident	152 Å²	152	69.2 Å²	69.2	81%	0.813	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-59.1	152.3	-178.4	-74.3	-58.2	0	0	0	113.9	R982	D967-R982 WeakPolarHBondContact O-CB 3.42Å
968	W	84.6	Confident	75	Confident	77 Å²	77	64.7 Å²	64.7	29%	0.292	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-74.8	134.5	175.3	-70.4	106.8	0	0	0	111.8	K980 R982 P1007 I1010	W968-K980 HydrophobicContact CB-CB 4.19Å; W968-K980 HydrophobicContact CB-CD 3.89Å; W968-K980 HydrophobicContact CD2-CB 4.28Å; W968-K980 HydrophobicContact CE3-CB 3.77Å; W968-K980 HydrophobicContact CG-CD 4.45Å; W968-K980 WeakPolarHBondContact CZ3-O 3.17Å; W968-R982 HydrophobicContact CD2-CB 4.09Å; W968-R982 HydrophobicContact CD2-CG 4.06Å; W968-R982 HydrophobicContact CE3-CB 3.73Å; W968-R982 HydrophobicContact CE3-CG 3.74Å; W968-R982 HydrophobicContact CH2-CG 3.92Å; W968-R982 HydrophobicContact CZ2-CG 4.24Å; W968-R982 VanDerWaalsContact CZ2-CZ 3.45Å; W968-R982 HydrophobicContact CZ3-CB 4.11Å; W968-R982 HydrophobicContact CZ3-CG 3.65Å; W968-P1007 WeakPolarHBondContact CH2-O 3.29Å; W968-I1010 HydrophobicContact CD2-CG2 3.94Å; W968-I1010 HydrophobicContact CE3-CG2 3.78Å; W968-I1010 HydrophobicContact CH2-CB 3.56Å; W968-I1010 HydrophobicContact CH2-CG2 3.49Å; W968-I1010 VanDerWaalsContact CH2-CG2 3.49Å; W968-I1010 HydrophobicContact CZ2-CB 3.87Å; W968-I1010 HydrophobicContact CZ2-CD1 4.4Å; W968-I1010 HydrophobicContact CZ2-CG2 3.63Å; W968-I1010 HydrophobicContact CZ3-CB 4.02Å; W968-I1010 HydrophobicContact CZ3-CG2 3.58Å
969	S	81.5	Confident	76	Confident	48 Å²	48	62.8 Å²	62.8	34%	0.336	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-54.4	165.5	168	76.9	0	0	0	0	112.3	K980 H981	S969-K980 VanDerWaalsContact O-CD 3.28Å; S969-K980 WeakPolarHBondContact O-CD 3.22Å; S969-K980 WeakPolarHBondContact O-CG 3.34Å; S969-H981 WeakPolarHBondContact CB-O 3.47Å; S969-H981 PolarHBondContact N-O 3.46Å; S969-H981 PolarHBondContact OG-N 2.93Å; S969-H981 PolarHBondContact OG-O 2.86Å
970	E	79.8	Confident	76.9	Confident	125 Å²	125	65.1 Å²	65.1	58%	0.584	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-53.5	152.9	159	-67	-169	146.5	0	0	111.3	K974	E970-K974 VanDerWaalsContact CD-NZ 3.33Å; E970-K974 IonicContact OE1-NZ 2.66Å; E970-K974 PolarHBondContact OE1-NZ 3.26Å; E970-K974 WeakPolarHBondContact OE2-CE 3.44Å; E970-K974 IonicContact OE2-NZ 3.42Å; E970-K974 PolarHBondContact OE2-NZ 3.17Å
971	C	80.4	Confident	77.7	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.027	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-73.8	128.1	175.4	-175	0	0	0	0	109.4	P973 K980 C1012 L1014	C971-P973 CarbonylContact C-O 3.55Å; C971-P973 CarbonylContact O-C 3.47Å; C971-K980 HydrophobicContact CB-CG 4.08Å; C971-C1012 HydrophobicContact CB-CB 3.96Å; C971-C1012 WeakPolarHBondContact CB-SG 3.45Å; C971-C1012 WeakPolarHBondContact SG-CB 3.2Å; C971-C1012 CovalentContact SG-SG 2.03Å; C971-C1012 PolarHBondContact SG-SG 3.35Å; C971-L1014 HydrophobicContact CB-CD1 3.6Å; C971-L1014 HydrophobicContact CB-CG 3.99Å
972	T	74.8	Confident	78.2	Confident	78 Å²	78	66.5 Å²	66.5	48%	0.479	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-117	130.5	175.6	53.7	0	0	0	0	110.9	G978 F979	T972-G978 CarbonylContact O-C 3.57Å; T972-G978 WeakPolarHBondContact O-CA 3.25Å; T972-F979 PolarHBondContact N-O 3.34Å; T972-F979 PolarHBondContact O-N 2.91Å; T972-F979 PolarHBondContact OG1-O 3.16Å
973	P	62.3	Low	78.4	Confident	58 Å²	58	66 Å²	66	38%	0.377	35%	0.346	S	S	.	.	S	Bend	cis	-65.2	164.4	-8.1	30	-36.3	0	0	0	113.4	C971 C975	C971-P973 CarbonylContact C-O 3.55Å; C971-P973 CarbonylContact O-C 3.47Å; P973-C975 PolarHBondContact O-N 3.06Å; P973-C975 VanDerWaalsContact O-N 3.13Å
974	K	68	Low	78.5	Confident	142 Å²	142	65.8 Å²	65.8	62%	0.617	35%	0.348	S	S	*	.	S	Bend	trans	-72.4	1	-175	-63	-151	-173.1	-156.1	0	115.2	E970 L1014	E970-K974 VanDerWaalsContact CD-NZ 3.33Å; E970-K974 IonicContact OE1-NZ 2.66Å; E970-K974 PolarHBondContact OE1-NZ 3.26Å; E970-K974 WeakPolarHBondContact OE2-CE 3.44Å; E970-K974 IonicContact OE2-NZ 3.42Å; E970-K974 PolarHBondContact OE2-NZ 3.17Å; K974-L1014 WeakPolarHBondContact O-CD1 3.12Å
975	C	71.4	Confident	78.3	Confident	17 Å²	17	66.6 Å²	66.6	12%	0.115	35%	0.351	C	S	.	.	S	Bend	trans	-146.6	160.2	167.8	67.6	0	0	0	0	111.2	P973 L1014 C1017 Y1048	P973-C975 PolarHBondContact O-N 3.06Å; P973-C975 VanDerWaalsContact O-N 3.13Å; C975-L1014 CarbonylContact C-O 3.57Å; C975-L1014 WeakPolarHBondContact CA-O 3.39Å; C975-L1014 WeakPolarHBondContact CB-O 3.45Å; C975-C1017 HydrophobicContact CB-CB 4.09Å; C975-C1017 WeakPolarHBondContact CB-SG 3.1Å; C975-C1017 PolarHBondContact O-SG 3.08Å; C975-C1017 VanDerWaalsContact O-SG 3.35Å; C975-C1017 WeakPolarHBondContact SG-CA 3.1Å; C975-C1017 WeakPolarHBondContact SG-CB 3.3Å; C975-C1017 CovalentContact SG-SG 2.05Å; C975-C1017 PolarHBondContact SG-SG 3.15Å; C975-Y1048 WeakPolarHBondContact SG-CE2 3.47Å
976	G	69.4	Low	78.3	Confident	7 Å²	7	65.1 Å²	65.1	7%	0.072	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	69.1	-163.7	-177.2	0	0	0	0	0	112.8	S1013 L1014 C1017	G976-S1013 CarbonylContact O-C 3.35Å; G976-S1013 VanDerWaalsContact O-CA 3.32Å; G976-S1013 WeakPolarHBondContact O-CA 3.3Å; G976-L1014 PolarHBondContact N-O 2.81Å; G976-L1014 PolarHBondContact O-N 3.23Å; G976-C1017 PolarHBondContact N-SG 3.32Å
977	P	74.3	Confident	78	Confident	111 Å²	111	63.4 Å²	63.4	72%	0.721	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	129.5	-180	29.8	-33.8	0	0	0	111.3
978	G	77.8	Confident	77.6	Confident	5 Å²	5	56.9 Å²	56.9	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	-165.2	-177.5	0	0	0	0	0	112.6	T972 C1012	T972-G978 CarbonylContact O-C 3.57Å; T972-G978 WeakPolarHBondContact O-CA 3.25Å; G978-C1012 PolarHBondContact N-O 3.17Å; G978-C1012 PolarHBondContact O-N 3.11Å; G978-C1012 PolarHBondContact O-SG 3.06Å
979	F	81.6	Confident	76.7	Confident	62 Å²	62	55.4 Å²	55.4	27%	0.272	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.7	177.8	-64.5	-95.7	0	0	0	112.2	T972 R1009 I1010 R1011 C1012	T972-F979 PolarHBondContact N-O 3.34Å; T972-F979 PolarHBondContact O-N 2.91Å; T972-F979 PolarHBondContact OG1-O 3.16Å; F979-R1009 HydrophobicContact CB-CG 4.17Å; F979-R1009 HydrophobicContact CD1-CG 3.7Å; F979-R1009 HydrophobicContact CE1-CG 4.47Å; F979-R1009 HydrophobicContact CG-CG 4.25Å; F979-R1009 VanDerWaalsContact CG-NE 3.34Å; F979-I1010 CarbonylContact C-O 3.5Å; F979-I1010 VanDerWaalsContact CA-O 3.24Å; F979-I1010 WeakPolarHBondContact CA-O 3.35Å; F979-R1011 HydrophobicContact CD1-CG 3.98Å; F979-R1011 HydrophobicContact CE1-CG 3.46Å; F979-R1011 VanDerWaalsContact CE1-CG 3.46Å; F979-R1011 HydrophobicContact CZ-CG 4.03Å; F979-C1012 WeakPolarHBondContact CA-SG 3.4Å; F979-C1012 PolarHBondContact N-SG 2.63Å; F979-C1012 VanDerWaalsContact N-SG 3.37Å
980	K	79.9	Confident	76.1	Confident	77 Å²	77	57.9 Å²	57.9	34%	0.335	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	148.7	160.2	-60.6	-172.3	172.7	-164.6	0	108.9	W968 S969 C971 R1009 I1010 C1012	W968-K980 HydrophobicContact CB-CB 4.19Å; W968-K980 HydrophobicContact CB-CD 3.89Å; W968-K980 HydrophobicContact CD2-CB 4.28Å; W968-K980 HydrophobicContact CE3-CB 3.77Å; W968-K980 HydrophobicContact CG-CD 4.45Å; W968-K980 WeakPolarHBondContact CZ3-O 3.17Å; S969-K980 VanDerWaalsContact O-CD 3.28Å; S969-K980 WeakPolarHBondContact O-CD 3.22Å; S969-K980 WeakPolarHBondContact O-CG 3.34Å; C971-K980 HydrophobicContact CB-CG 4.08Å; K980-R1009 WeakPolarHBondContact O-CA 3.49Å; K980-I1010 HydrophobicContact CB-CG2 3.97Å; K980-I1010 PolarHBondContact N-O 2.76Å; K980-I1010 PolarHBondContact O-N 2.99Å; K980-C1012 HydrophobicContact CG-CB 4.28Å; K980-C1012 PolarHBondContact N-SG 3.34Å
981	H	82.4	Confident	75.5	Confident	76 Å²	76	56.4 Å²	56.4	35%	0.352	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.5	176.5	-58.8	87.3	0	0	0	109.6	S969 V1008 R1009	S969-H981 WeakPolarHBondContact CB-O 3.47Å; S969-H981 PolarHBondContact N-O 3.46Å; S969-H981 PolarHBondContact OG-N 2.93Å; S969-H981 PolarHBondContact OG-O 2.86Å; H981-V1008 CarbonylContact C-O 3.57Å; H981-V1008 VanDerWaalsContact CA-O 3.27Å; H981-V1008 WeakPolarHBondContact CA-O 3.42Å; H981-R1009 WeakPolarHBondContact NE2-CD 3.43Å
982	R	80.8	Confident	75	Confident	53 Å²	53	60 Å²	60	20%	0.2	33%	0.325	C	S	.	.			trans	-143.8	154.3	172.3	67.8	-179.9	170.2	175.1	-3.7	111.3	L966 D967 W968 P1007 V1008	L966-R982 WeakPolarHBondContact O-CB 3.41Å; L966-R982 WeakPolarHBondContact O-CD 3.34Å; D967-R982 WeakPolarHBondContact O-CB 3.42Å; W968-R982 HydrophobicContact CD2-CB 4.09Å; W968-R982 HydrophobicContact CD2-CG 4.06Å; W968-R982 HydrophobicContact CE3-CB 3.73Å; W968-R982 HydrophobicContact CE3-CG 3.74Å; W968-R982 HydrophobicContact CH2-CG 3.92Å; W968-R982 HydrophobicContact CZ2-CG 4.24Å; W968-R982 VanDerWaalsContact CZ2-CZ 3.45Å; W968-R982 HydrophobicContact CZ3-CB 4.11Å; W968-R982 HydrophobicContact CZ3-CG 3.65Å; R982-P1007 PolarHBondContact NE-O 2.75Å; R982-P1007 PolarHBondContact NH2-O 3.45Å; R982-V1008 PolarHBondContact N-O 2.82Å
983	I	80.3	Confident	74.8	Confident	110 Å²	110	62.9 Å²	62.9	56%	0.564	33%	0.331	S	S	*	.			trans	-86.8	135.7	173.8	-60.4	172.2	0	0	0	108	L966 L985	L966-I983 WeakPolarHBondContact CB-O 3.33Å; L966-I983 HydrophobicContact CD1-CB 4.11Å; L966-I983 HydrophobicContact CD1-CG2 4.2Å; L966-I983 PolarHBondContact N-O 3.43Å; I983-L985 HydrophobicContact CG2-CD2 3.78Å; I983-L985 HydrophobicContact CG2-CG 4.05Å
984	V	85.8	Confident	75.4	Confident	22 Å²	22	64 Å²	64	13%	0.133	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133	168	-62.2	0	0	0	0	108.6	W963 A965 K1005 P1006 V1008	W963-V984 HydrophobicContact CE3-CB 4.08Å; W963-V984 HydrophobicContact CE3-CG2 3.91Å; W963-V984 HydrophobicContact CZ3-CB 4.5Å; W963-V984 HydrophobicContact CZ3-CG2 3.91Å; A965-V984 HydrophobicContact CB-CG1 4Å; V984-K1005 HydrophobicContact CG2-CG 4.37Å; V984-P1006 HydrophobicContact CG1-CB 4.05Å; V984-P1006 HydrophobicContact CG1-CG 4.35Å; V984-V1008 HydrophobicContact CB-CG1 4.47Å; V984-V1008 HydrophobicContact CG1-CG1 4.05Å; V984-V1008 HydrophobicContact CG2-CG1 3.68Å
985	L	80.1	Confident	75.8	Confident	58 Å²	58	60.8 Å²	60.8	30%	0.304	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.6	-178.6	-62.5	178.9	0	0	0	109.2	V964 L966 I983 K987 T994	V964-L985 PolarHBondContact N-O 3.13Å; V964-L985 PolarHBondContact O-N 2.91Å; L966-L985 HydrophobicContact CD1-CD1 3.9Å; L966-L985 HydrophobicContact CD1-CG 4.36Å; I983-L985 HydrophobicContact CG2-CD2 3.78Å; I983-L985 HydrophobicContact CG2-CG 4.05Å; L985-K987 HydrophobicContact CB-CG 4.46Å; L985-T994 HydrophobicContact CB-CG2 4.21Å
986	C	81.6	Confident	76.1	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.02	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126	168.9	-176.8	0	0	0	0	108.6	W963 T994 F995 C1000	W963-C986 HydrophobicContact CE3-CB 4.31Å; W963-C986 HydrophobicContact CZ3-CB 4.21Å; C986-T994 WeakPolarHBondContact O-CA 3.36Å; C986-T994 WeakPolarHBondContact O-CG2 2.99Å; C986-F995 HydrophobicContact CB-CB 4.36Å; C986-F995 PolarHBondContact O-N 2.83Å; C986-C1000 WeakPolarHBondContact CA-SG 3.01Å; C986-C1000 HydrophobicContact CB-CB 3.81Å; C986-C1000 WeakPolarHBondContact CB-SG 3.42Å; C986-C1000 WeakPolarHBondContact SG-CB 3.11Å; C986-C1000 PolarHBondContact SG-N 2.82Å; C986-C1000 CovalentContact SG-SG 2.03Å; C986-C1000 PolarHBondContact SG-SG 3.02Å
987	K	77	Confident	76	Confident	47 Å²	47	66.2 Å²	66.2	20%	0.204	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.8	-177.3	-76.2	-167.9	151.9	-148.1	0	112.4	P961 Q962 V964 L985 L991 K993 T994	P961-K987 CarbonylContact C-O 3.52Å; P961-K987 WeakPolarHBondContact CA-O 3.26Å; P961-K987 WeakPolarHBondContact CB-O 2.92Å; Q962-K987 PolarHBondContact N-O 3.23Å; Q962-K987 PolarHBondContact O-N 3.37Å; V964-K987 HydrophobicContact CB-CD 4.19Å; V964-K987 HydrophobicContact CB-CG 4.48Å; V964-K987 HydrophobicContact CG2-CB 3.82Å; V964-K987 HydrophobicContact CG2-CD 3.9Å; V964-K987 HydrophobicContact CG2-CG 4.12Å; L985-K987 HydrophobicContact CB-CG 4.46Å; K987-L991 PolarHBondContact NZ-O 2.05Å; K987-K993 CarbonylContact C-O 3.08Å; K987-K993 WeakPolarHBondContact CA-O 3.44Å; K987-K993 WeakPolarHBondContact CB-O 3.34Å; K987-T994 WeakPolarHBondContact CE-OG1 3.39Å; K987-T994 HydrophobicContact CG-CG2 4.3Å
988	S	75.6	Confident	75.7	Confident	15 Å²	15	65.6 Å²	65.6	11%	0.105	37%	0.365	C	S	.	.			trans	-56.9	158.5	167.9	44.5	0	0	0	0	112.2	D990 L991 S992 K993	S988-D990 WeakPolarHBondContact CB-OD1 3.44Å; S988-D990 PolarHBondContact O-N 2.74Å; S988-D990 PolarHBondContact OG-OD1 3.44Å; S988-L991 WeakPolarHBondContact O-CA 3.15Å; S988-L991 PolarHBondContact O-N 2.67Å; S988-S992 PolarHBondContact OG-N 3.35Å; S988-K993 PolarHBondContact N-O 3.12Å; S988-K993 PolarHBondContact OG-N 3.23Å; S988-K993 PolarHBondContact OG-O 2.63Å
989	S	65.9	Low	75.4	Confident	45 Å²	45	70.3 Å²	70.3	32%	0.315	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.4	174.7	43.4	0	0	0	0	113.8	D916 L991	D916-S989 VanDerWaalsContact OD2-CB 3.28Å; D916-S989 WeakPolarHBondContact OD2-CB 3.21Å; D916-S989 PolarHBondContact OD2-OG 3.4Å; S989-L991 VanDerWaalsContact C-N 3.27Å; S989-L991 PolarHBondContact O-N 3.45Å
990	D	69.5	Low	75.1	Confident	101 Å²	101	67.6 Å²	67.6	54%	0.54	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.8	174.8	75.3	-17.2	0	0	0	114.2	S988 S992	S988-D990 WeakPolarHBondContact CB-OD1 3.44Å; S988-D990 PolarHBondContact O-N 2.74Å; S988-D990 PolarHBondContact OG-OD1 3.44Å; D990-S992 PolarHBondContact O-N 3.23Å; D990-S992 WeakPolarHBondContact OD1-CB 3.49Å; D990-S992 PolarHBondContact OD1-N 3.49Å; D990-S992 PolarHBondContact OD1-OG 3.46Å; D990-S992 WeakPolarHBondContact OD2-CB 2.89Å; D990-S992 PolarHBondContact OD2-OG 2.96Å
991	L	66.9	Low	74.9	Confident	94 Å²	94	67 Å²	67	49%	0.492	38%	0.378	S	S	.	.	S	Bend	trans	61.3	3	-176	-49.7	172.9	0	0	0	115.8	V964 K987 S988 S989	V964-L991 HydrophobicContact CG2-CD2 3.47Å; V964-L991 VanDerWaalsContact CG2-CD2 3.47Å; K987-L991 PolarHBondContact NZ-O 2.05Å; S988-L991 WeakPolarHBondContact O-CA 3.15Å; S988-L991 PolarHBondContact O-N 2.67Å; S989-L991 VanDerWaalsContact C-N 3.27Å; S989-L991 PolarHBondContact O-N 3.45Å
992	S	70.1	Confident	74.4	Confident	79 Å²	79	68.8 Å²	68.8	55%	0.552	39%	0.387	S	S	*	.			trans	-78.2	-39	-169.9	76.5	0	0	0	0	113.7	S988 D990	S988-S992 PolarHBondContact OG-N 3.35Å; D990-S992 PolarHBondContact O-N 3.23Å; D990-S992 WeakPolarHBondContact OD1-CB 3.49Å; D990-S992 PolarHBondContact OD1-N 3.49Å; D990-S992 PolarHBondContact OD1-OG 3.46Å; D990-S992 WeakPolarHBondContact OD2-CB 2.89Å; D990-S992 PolarHBondContact OD2-OG 2.96Å
993	K	69.3	Low	73.8	Confident	138 Å²	138	74.4 Å²	74.4	60%	0.6	42%	0.416	S	S	*	.			trans	-104.3	143.4	177.6	-72	-179.7	179.4	173.9	0	110.9	K987 S988 F995	K987-K993 CarbonylContact C-O 3.08Å; K987-K993 WeakPolarHBondContact CA-O 3.44Å; K987-K993 WeakPolarHBondContact CB-O 3.34Å; S988-K993 PolarHBondContact N-O 3.12Å; S988-K993 PolarHBondContact OG-N 3.23Å; S988-K993 PolarHBondContact OG-O 2.63Å; K993-F995 HydrophobicContact CB-CE2 4.3Å; K993-F995 HydrophobicContact CB-CZ 4.17Å
994	T	76.1	Confident	73.3	Confident	83 Å²	83	72.4 Å²	72.4	51%	0.509	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.9	172.2	-49.1	0	0	0	0	108.3	L985 C986 K987	L985-T994 HydrophobicContact CB-CG2 4.21Å; C986-T994 WeakPolarHBondContact O-CA 3.36Å; C986-T994 WeakPolarHBondContact O-CG2 2.99Å; K987-T994 WeakPolarHBondContact CE-OG1 3.39Å; K987-T994 HydrophobicContact CG-CG2 4.3Å
995	F	75.6	Confident	73.1	Confident	73 Å²	73	75.1 Å²	75.1	32%	0.32	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	162.2	-173.8	-69.7	-65.7	0	0	0	111.5	P961 C986 K993 Q999	P961-F995 HydrophobicContact CB-CD2 3.56Å; P961-F995 HydrophobicContact CB-CE2 3.96Å; P961-F995 HydrophobicContact CG-CD2 4.07Å; C986-F995 HydrophobicContact CB-CB 4.36Å; C986-F995 PolarHBondContact O-N 2.83Å; K993-F995 HydrophobicContact CB-CE2 4.3Å; K993-F995 HydrophobicContact CB-CZ 4.17Å; F995-Q999 HydrophobicContact CB-CB 4.33Å
996	P	77.2	Confident	73.3	Confident	83 Å²	83	73.8 Å²	73.8	54%	0.539	42%	0.416	S	S	.	.			trans	-57.6	145.1	169.5	-22.6	34.2	0	0	0	111.7	A998 Q999	P996-A998 PolarHBondContact O-N 2.72Å; P996-Q999 PolarHBondContact O-N 3.18Å
997	A	68.1	Low	73.2	Confident	55 Å²	55	77.6 Å²	77.6	46%	0.455	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-46.9	-40.1	-179.9	0	0	0	0	0	114.1	W963 Q999 C1000	W963-A997 HydrophobicContact CH2-CB 3.82Å; W963-A997 WeakPolarHBondContact CH2-O 3.16Å; W963-A997 WeakPolarHBondContact CZ2-O 3.49Å; W963-A997 HydrophobicContact CZ3-CB 4.45Å; A997-Q999 PolarHBondContact O-N 2.01Å; A997-Q999 VanDerWaalsContact O-N 3.16Å; A997-C1000 PolarHBondContact O-N 3.22Å
998	A	68.1	Low	73.4	Confident	98 Å²	98	78.7 Å²	78.7	81%	0.81	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-71	-1.8	-177.6	0	0	0	0	0	115.5	P996	P996-A998 PolarHBondContact O-N 2.72Å
999	Q	71.1	Confident	73.8	Confident	105 Å²	105	84.3 Å²	84.3	49%	0.491	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-92.6	-11.4	175.3	-66	-171.3	-19.3	0	0	113.3	P961 F995 P996 A997	P961-Q999 HydrophobicContact CG-CB 3.99Å; P961-Q999 VanDerWaalsContact CG-O 3.24Å; P961-Q999 WeakPolarHBondContact CG-O 3.22Å; F995-Q999 HydrophobicContact CB-CB 4.33Å; P996-Q999 PolarHBondContact O-N 3.18Å; A997-Q999 PolarHBondContact O-N 2.01Å; A997-Q999 VanDerWaalsContact O-N 3.16Å
1000	C	76.6	Confident	74.7	Confident	5 Å²	5	86 Å²	86	3%	0.034	48%	0.475	C	S	.	.	S	Bend	trans	-105.9	141	174.5	-71	0	0	0	0	110.3	P961 Q962 W963 C986 A997 E1002	P961-C1000 PolarHBondContact O-SG 3.26Å; Q962-C1000 VanDerWaalsContact C-SG 3.51Å; W963-C1000 HydrophobicContact CD2-CB 3.76Å; W963-C1000 HydrophobicContact CE3-CB 4.46Å; W963-C1000 HydrophobicContact CG-CB 4Å; W963-C1000 HydrophobicContact CZ2-CB 3.84Å; C986-C1000 WeakPolarHBondContact CA-SG 3.01Å; C986-C1000 HydrophobicContact CB-CB 3.81Å; C986-C1000 WeakPolarHBondContact CB-SG 3.42Å; C986-C1000 WeakPolarHBondContact SG-CB 3.11Å; C986-C1000 PolarHBondContact SG-N 2.82Å; C986-C1000 CovalentContact SG-SG 2.03Å; C986-C1000 PolarHBondContact SG-SG 3.02Å; A997-C1000 PolarHBondContact O-N 3.22Å; C1000-E1002 PolarHBondContact O-N 2.88Å
1001	P	75.3	Confident	75.2	Confident	63 Å²	63	91.2 Å²	91.2	41%	0.409	49%	0.487	S	S	.	.			trans	-64.6	127.9	-174.5	-19.3	31.2	0	0	0	112.9	W963 E1003 S1004	W963-P1001 PolarHBondContact NE1-O 3.47Å; P1001-E1003 WeakPolarHBondContact CB-OE2 3.22Å; P1001-E1003 PolarHBondContact O-N 3.43Å; P1001-S1004 PolarHBondContact O-N 2.79Å; P1001-S1004 VanDerWaalsContact O-N 3.15Å; P1001-S1004 PolarHBondContact O-OG 3.49Å
1002	E	72.4	Confident	75.7	Confident	114 Å²	114	88 Å²	88	53%	0.533	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-59.8	-31.9	-177.4	-85.7	-75	126.5	0	0	112.6	C1000 S1004 K1005	C1000-E1002 PolarHBondContact O-N 2.88Å; E1002-S1004 PolarHBondContact O-N 2.75Å; E1002-K1005 WeakPolarHBondContact O-CB 3.25Å; E1002-K1005 PolarHBondContact O-N 3.37Å; E1002-K1005 VanDerWaalsContact O-N 3.16Å; E1002-K1005 WeakPolarHBondContact OE1-CD 3.22Å; E1002-K1005 WeakPolarHBondContact OE1-CE 3.2Å; E1002-K1005 IonicContact OE1-NZ 2.65Å; E1002-K1005 PolarHBondContact OE1-NZ 3Å; E1002-K1005 IonicContact OE2-NZ 3.84Å; E1002-K1005 PolarHBondContact OE2-NZ 2.93Å
1003	E	67.6	Low	76	Confident	172 Å²	172	88.5 Å²	88.5	80%	0.804	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-65.3	-28.8	-179	-44.8	77	-171.9	0	0	111.7	P1001	P1001-E1003 WeakPolarHBondContact CB-OE2 3.22Å; P1001-E1003 PolarHBondContact O-N 3.43Å
1004	S	69.9	Low	75.6	Confident	67 Å²	67	85.9 Å²	85.9	47%	0.469	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-91.1	1.3	179.9	68.3	0	0	0	0	113.9	W963 P1001 E1002 P1006	W963-S1004 VanDerWaalsContact CD1-OG 3.28Å; P1001-S1004 PolarHBondContact O-N 2.79Å; P1001-S1004 VanDerWaalsContact O-N 3.15Å; P1001-S1004 PolarHBondContact O-OG 3.49Å; E1002-S1004 PolarHBondContact O-N 2.75Å; S1004-P1006 VanDerWaalsContact O-CD 3.28Å; S1004-P1006 WeakPolarHBondContact O-CD 3.25Å
1005	K	82.4	Confident	75	Confident	80 Å²	80	84.8 Å²	84.8	35%	0.348	47%	0.473	S	S	.	.			trans	-71.6	114.8	-171.9	-170.8	173.6	176.2	-177.3	0	112	W963 V984 E1002	W963-K1005 HydrophobicContact CD2-CB 4.37Å; W963-K1005 HydrophobicContact CD2-CG 4.11Å; W963-K1005 HydrophobicContact CE3-CG 4.5Å; W963-K1005 HydrophobicContact CG-CB 4.49Å; W963-K1005 HydrophobicContact CH2-CD 4.13Å; W963-K1005 HydrophobicContact CH2-CG 4.25Å; W963-K1005 HydrophobicContact CZ2-CB 4.26Å; W963-K1005 HydrophobicContact CZ2-CD 3.78Å; W963-K1005 HydrophobicContact CZ2-CG 3.85Å; V984-K1005 HydrophobicContact CG2-CG 4.37Å; E1002-K1005 WeakPolarHBondContact O-CB 3.25Å; E1002-K1005 PolarHBondContact O-N 3.37Å; E1002-K1005 VanDerWaalsContact O-N 3.16Å; E1002-K1005 WeakPolarHBondContact OE1-CD 3.22Å; E1002-K1005 WeakPolarHBondContact OE1-CE 3.2Å; E1002-K1005 IonicContact OE1-NZ 2.65Å; E1002-K1005 PolarHBondContact OE1-NZ 3Å; E1002-K1005 IonicContact OE2-NZ 3.84Å; E1002-K1005 PolarHBondContact OE2-NZ 2.93Å
1006	P	82.6	Confident	74.2	Confident	29 Å²	29	93.2 Å²	93.2	19%	0.188	50%	0.503	C	S	.	.			trans	-63.7	142.3	-177.6	-22	33.4	0	0	0	111.3	W963 A965 V984 S1004 V1008	W963-P1006 HydrophobicContact CB-CG 3.96Å; A965-P1006 HydrophobicContact CB-CB 4.02Å; A965-P1006 HydrophobicContact CB-CG 4.15Å; V984-P1006 HydrophobicContact CG1-CB 4.05Å; V984-P1006 HydrophobicContact CG1-CG 4.35Å; S1004-P1006 VanDerWaalsContact O-CD 3.28Å; S1004-P1006 WeakPolarHBondContact O-CD 3.25Å; P1006-V1008 PolarHBondContact O-N 2.89Å
1007	P	79.2	Confident	73.5	Confident	84 Å²	84	91.1 Å²	91.1	55%	0.545	49%	0.49	S	S	.	.			trans	-60.9	128.6	-178.1	21.4	-32.6	0	0	0	111	W968 R982 R1009	W968-P1007 WeakPolarHBondContact CH2-O 3.29Å; R982-P1007 PolarHBondContact NE-O 2.75Å; R982-P1007 PolarHBondContact NH2-O 3.45Å; P1007-R1009 VanDerWaalsContact C-N 3.34Å
1008	V	82.3	Confident	73.5	Confident	70 Å²	70	92.2 Å²	92.2	42%	0.424	49%	0.493	S	S	.	.	S	Bend	trans	-82.1	-9.2	-179.2	-66.7	0	0	0	0	113.9	H981 R982 V984 P1006	H981-V1008 CarbonylContact C-O 3.57Å; H981-V1008 VanDerWaalsContact CA-O 3.27Å; H981-V1008 WeakPolarHBondContact CA-O 3.42Å; R982-V1008 PolarHBondContact N-O 2.82Å; V984-V1008 HydrophobicContact CB-CG1 4.47Å; V984-V1008 HydrophobicContact CG1-CG1 4.05Å; V984-V1008 HydrophobicContact CG2-CG1 3.68Å; P1006-V1008 PolarHBondContact O-N 2.89Å
1009	R	83.6	Confident	73.5	Confident	132 Å²	132	92.8 Å²	92.8	50%	0.498	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	133.9	-177.6	-178.4	174.7	175	179.9	-1.3	110.1	F979 K980 H981 P1007	F979-R1009 HydrophobicContact CB-CG 4.17Å; F979-R1009 HydrophobicContact CD1-CG 3.7Å; F979-R1009 HydrophobicContact CE1-CG 4.47Å; F979-R1009 HydrophobicContact CG-CG 4.25Å; F979-R1009 VanDerWaalsContact CG-NE 3.34Å; K980-R1009 WeakPolarHBondContact O-CA 3.49Å; H981-R1009 WeakPolarHBondContact NE2-CD 3.43Å; P1007-R1009 VanDerWaalsContact C-N 3.34Å
1010	I	84.2	Confident	73.5	Confident	81 Å²	81	89 Å²	89	42%	0.415	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.7	177.3	-165	168.2	0	0	0	110.7	W968 F979 K980	W968-I1010 HydrophobicContact CD2-CG2 3.94Å; W968-I1010 HydrophobicContact CE3-CG2 3.78Å; W968-I1010 HydrophobicContact CH2-CB 3.56Å; W968-I1010 HydrophobicContact CH2-CG2 3.49Å; W968-I1010 VanDerWaalsContact CH2-CG2 3.49Å; W968-I1010 HydrophobicContact CZ2-CB 3.87Å; W968-I1010 HydrophobicContact CZ2-CD1 4.4Å; W968-I1010 HydrophobicContact CZ2-CG2 3.63Å; W968-I1010 HydrophobicContact CZ3-CB 4.02Å; W968-I1010 HydrophobicContact CZ3-CG2 3.58Å; F979-I1010 CarbonylContact C-O 3.5Å; F979-I1010 VanDerWaalsContact CA-O 3.24Å; F979-I1010 WeakPolarHBondContact CA-O 3.35Å; K980-I1010 HydrophobicContact CB-CG2 3.97Å; K980-I1010 PolarHBondContact N-O 2.76Å; K980-I1010 PolarHBondContact O-N 2.99Å
1011	R	81.7	Confident	73.5	Confident	210 Å²	210	97.7 Å²	97.7	79%	0.792	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	144.3	174.9	-69.7	179.6	-177	-178.4	1.8	110.6	F979	F979-R1011 HydrophobicContact CD1-CG 3.98Å; F979-R1011 HydrophobicContact CE1-CG 3.46Å; F979-R1011 VanDerWaalsContact CE1-CG 3.46Å; F979-R1011 HydrophobicContact CZ-CG 4.03Å
1012	C	77.6	Confident	73.9	Confident	27 Å²	27	96.8 Å²	96.8	18%	0.182	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.6	172.4	47.5	0	0	0	0	109.7	C971 G978 F979 K980	C971-C1012 HydrophobicContact CB-CB 3.96Å; C971-C1012 WeakPolarHBondContact CB-SG 3.45Å; C971-C1012 WeakPolarHBondContact SG-CB 3.2Å; C971-C1012 CovalentContact SG-SG 2.03Å; C971-C1012 PolarHBondContact SG-SG 3.35Å; G978-C1012 PolarHBondContact N-O 3.17Å; G978-C1012 PolarHBondContact O-N 3.11Å; G978-C1012 PolarHBondContact O-SG 3.06Å; F979-C1012 WeakPolarHBondContact CA-SG 3.4Å; F979-C1012 PolarHBondContact N-SG 2.63Å; F979-C1012 VanDerWaalsContact N-SG 3.37Å; K980-C1012 HydrophobicContact CG-CB 4.28Å; K980-C1012 PolarHBondContact N-SG 3.34Å
1013	S	74.6	Confident	74.2	Confident	89 Å²	89	94 Å²	94	62%	0.622	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	118	174.3	-168.5	0	0	0	0	109.5	G976	G976-S1013 CarbonylContact O-C 3.35Å; G976-S1013 VanDerWaalsContact O-CA 3.32Å; G976-S1013 WeakPolarHBondContact O-CA 3.3Å
1014	L	61.1	Low	74.9	Confident	83 Å²	83	88.3 Å²	88.3	44%	0.435	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	82.8	-175.9	-75.6	-174	0	0	0	111.2	C971 K974 C975 G976	C971-L1014 HydrophobicContact CB-CD1 3.6Å; C971-L1014 HydrophobicContact CB-CG 3.99Å; K974-L1014 WeakPolarHBondContact O-CD1 3.12Å; C975-L1014 CarbonylContact C-O 3.57Å; C975-L1014 WeakPolarHBondContact CA-O 3.39Å; C975-L1014 WeakPolarHBondContact CB-O 3.45Å; G976-L1014 PolarHBondContact N-O 2.81Å; G976-L1014 PolarHBondContact O-N 3.23Å
1015	G	64.1	Low	75.2	Confident	61 Å²	61	86.3 Å²	86.3	63%	0.629	45%	0.451	S	S	*	.	S	Bend	trans	60.3	-164.1	173.6	0	0	0	0	0	114.8
1016	R	59.5	Low	75.2	Confident	249 Å²	249	89.9 Å²	89.9	94%	0.94	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-91.4	134.2	166.9	-67.4	-173	-179.1	-167.7	0.8	108.8
1017	C	62.4	Low	75.1	Confident	40 Å²	40	91.5 Å²	91.5	27%	0.27	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-66.6	155.6	173.2	-72.1	0	0	0	0	112.1	C975 G976 Y1048	C975-C1017 HydrophobicContact CB-CB 4.09Å; C975-C1017 WeakPolarHBondContact CB-SG 3.1Å; C975-C1017 PolarHBondContact O-SG 3.08Å; C975-C1017 VanDerWaalsContact O-SG 3.35Å; C975-C1017 WeakPolarHBondContact SG-CA 3.1Å; C975-C1017 WeakPolarHBondContact SG-CB 3.3Å; C975-C1017 CovalentContact SG-SG 2.05Å; C975-C1017 PolarHBondContact SG-SG 3.15Å; G976-C1017 PolarHBondContact N-SG 3.32Å; C1017-Y1048 HydrophobicContact CB-CD1 3.62Å; C1017-Y1048 HydrophobicContact CB-CE1 3.49Å; C1017-Y1048 VanDerWaalsContact CB-CE1 3.49Å; C1017-Y1048 HydrophobicContact CB-CG 4.38Å; C1017-Y1048 WeakPolarHBondContact SG-CE1 2.99Å; C1017-Y1048 PolarHBondContact SG-OH 3.13Å
1018	P	67.9	Low	74.9	Confident	78 Å²	78	89.2 Å²	89.2	51%	0.506	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-55.9	139.7	172.5	-22.8	33.4	0	0	0	111.1
1019	P	67.4	Low	74.5	Confident	109 Å²	109	95.1 Å²	95.1	71%	0.708	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-61.7	154	174.6	28	-34.8	0	0	0	110.6
1020	P	71.4	Confident	74.3	Confident	27 Å²	27	90.3 Å²	90.3	18%	0.175	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-62.2	149.9	175.4	31.1	-37.1	0	0	0	110.4	L1046 S1053 D1055 C1056	P1020-L1046 CarbonylContact C-O 3.57Å; P1020-L1046 WeakPolarHBondContact CA-O 3.48Å; P1020-L1046 WeakPolarHBondContact CB-O 3.39Å; P1020-S1053 WeakPolarHBondContact CB-OG 3.49Å; P1020-S1053 WeakPolarHBondContact CG-OG 3.2Å; P1020-D1055 HydrophobicContact CG-CB 3.87Å; P1020-C1056 PolarHBondContact O-SG 2.71Å
1021	R	76.9	Confident	73.8	Confident	187 Å²	187	90.9 Å²	90.9	71%	0.706	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.7	-178.4	65.7	178.3	-178.1	167.1	1.1	111.4	V1023 L1046 C1056	R1021-V1023 HydrophobicContact CG-CG2 4.16Å; R1021-V1023 PolarHBondContact O-N 2.67Å; R1021-L1046 PolarHBondContact N-O 3.33Å; R1021-L1046 PolarHBondContact O-N 3.45Å; R1021-C1056 VanDerWaalsContact CA-SG 3.58Å; R1021-C1056 PolarHBondContact N-SG 2.04Å; R1021-C1056 VanDerWaalsContact N-SG 3.45Å
1022	W	82.3	Confident	72.6	Confident	43 Å²	43	81.9 Å²	81.9	16%	0.163	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	118.4	168.1	-65	112.3	0	0	0	109.7	V1043 C1045 C1056 P1057 E1058 R1061 P1062	W1022-V1043 HydrophobicContact CD2-CG1 4.45Å; W1022-V1043 HydrophobicContact CE3-CG1 3.86Å; W1022-V1043 HydrophobicContact CZ3-CG1 4.48Å; W1022-C1045 HydrophobicContact CD2-CB 4.34Å; W1022-C1045 HydrophobicContact CE3-CB 3.86Å; W1022-C1045 HydrophobicContact CH2-CB 4.06Å; W1022-C1045 HydrophobicContact CZ3-CB 3.72Å; W1022-C1056 HydrophobicContact CD2-CB 3.95Å; W1022-C1056 VanDerWaalsContact CE2-CB 3.48Å; W1022-C1056 HydrophobicContact CG-CB 4.21Å; W1022-C1056 HydrophobicContact CZ2-CB 3.84Å; W1022-P1057 PolarHBondContact NE1-O 3.15Å; W1022-E1058 WeakPolarHBondContact CH2-OE1 3.38Å; W1022-E1058 HydrophobicContact CZ2-CG 4.44Å; W1022-E1058 WeakPolarHBondContact CZ2-OE1 3.23Å; W1022-R1061 HydrophobicContact CD2-CB 4.25Å; W1022-R1061 HydrophobicContact CD2-CG 3.95Å; W1022-R1061 HydrophobicContact CE3-CG 4.16Å; W1022-R1061 HydrophobicContact CH2-CG 4.2Å; W1022-R1061 HydrophobicContact CZ2-CB 4.08Å; W1022-R1061 HydrophobicContact CZ2-CG 3.97Å; W1022-R1061 HydrophobicContact CZ3-CG 4.28Å; W1022-P1062 VanDerWaalsContact CB-CD 3.48Å; W1022-P1062 HydrophobicContact CB-CG 4.13Å
1023	V	79.4	Confident	71.8	Confident	57 Å²	57	89.4 Å²	89.4	35%	0.345	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.9	169.3	-178.9	0	0	0	0	107.4	R1021 Q1044 L1046	R1021-V1023 HydrophobicContact CG-CG2 4.16Å; R1021-V1023 PolarHBondContact O-N 2.67Å; V1023-Q1044 PolarHBondContact N-O 3.37Å; V1023-Q1044 PolarHBondContact O-N 3.23Å; V1023-L1046 HydrophobicContact CB-CD1 3.96Å; V1023-L1046 HydrophobicContact CB-CG 4.33Å; V1023-L1046 HydrophobicContact CG1-CD1 4.35Å; V1023-L1046 HydrophobicContact CG2-CB 4.17Å; V1023-L1046 HydrophobicContact CG2-CD1 4.03Å; V1023-L1046 HydrophobicContact CG2-CG 4.3Å
1024	T	81.5	Confident	71.1	Confident	51 Å²	51	89.6 Å²	89.6	31%	0.313	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.6	177.7	67.1	0	0	0	0	109.5	R1041 T1042 V1043 P1062	T1024-R1041 PolarHBondContact OG1-NH1 2.94Å; T1024-T1042 CarbonylContact C-O 3.35Å; T1024-T1042 VanDerWaalsContact CA-O 3.3Å; T1024-T1042 WeakPolarHBondContact CA-O 3.49Å; T1024-V1043 HydrophobicContact CG2-CG1 4.33Å; T1024-V1043 HydrophobicContact CG2-CG2 4.09Å; T1024-P1062 HydrophobicContact CG2-CB 3.59Å; T1024-P1062 HydrophobicContact CG2-CG 3.66Å
1025	G	76.1	Confident	71.2	Confident	26 Å²	26	86.7 Å²	86.7	27%	0.268	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	175.8	163.6	0	0	0	0	0	111.5	R1041 T1042	G1025-R1041 WeakPolarHBondContact O-CD 3.04Å; G1025-T1042 WeakPolarHBondContact CA-OG1 3.23Å; G1025-T1042 PolarHBondContact N-O 3.43Å; G1025-T1042 PolarHBondContact N-OG1 2.95Å
1026	D	82.4	Confident	71.2	Confident	155 Å²	155	89.8 Å²	89.8	83%	0.829	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	159.4	172.8	-60.3	-62.4	0	0	0	112	G1028 R1041	D1026-G1028 PolarHBondContact O-N 3.24Å; D1026-R1041 VanDerWaalsContact O-CB 3.23Å; D1026-R1041 WeakPolarHBondContact O-CB 3.5Å
1027	W	81.3	Confident	71.7	Confident	63 Å²	63	78.4 Å²	78.4	24%	0.239	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.1	173.1	-65.8	106.2	0	0	0	110.4	Q1039 R1041 P1063 S1064 Q1066	W1027-Q1039 HydrophobicContact CB-CB 4.42Å; W1027-Q1039 HydrophobicContact CB-CG 4.27Å; W1027-Q1039 VanDerWaalsContact CB-OE1 3.32Å; W1027-Q1039 HydrophobicContact CD2-CG 4.29Å; W1027-Q1039 HydrophobicContact CE3-CB 4.44Å; W1027-Q1039 HydrophobicContact CE3-CG 4.04Å; W1027-Q1039 HydrophobicContact CG-CG 4.42Å; W1027-Q1039 WeakPolarHBondContact CZ3-O 3.01Å; W1027-R1041 HydrophobicContact CD2-CB 3.98Å; W1027-R1041 HydrophobicContact CD2-CG 4.04Å; W1027-R1041 HydrophobicContact CE3-CB 3.65Å; W1027-R1041 HydrophobicContact CE3-CG 3.72Å; W1027-R1041 HydrophobicContact CG-CB 4.5Å; W1027-R1041 HydrophobicContact CH2-CG 3.86Å; W1027-R1041 HydrophobicContact CZ2-CG 4.17Å; W1027-R1041 VanDerWaalsContact CZ2-CZ 3.47Å; W1027-R1041 HydrophobicContact CZ3-CB 4.02Å; W1027-R1041 HydrophobicContact CZ3-CG 3.61Å; W1027-P1063 WeakPolarHBondContact CH2-O 3.41Å; W1027-S1064 WeakPolarHBondContact CZ3-O 2.97Å; W1027-Q1066 HydrophobicContact CD2-CG 3.91Å; W1027-Q1066 HydrophobicContact CE3-CG 3.94Å; W1027-Q1066 HydrophobicContact CH2-CB 3.84Å; W1027-Q1066 HydrophobicContact CH2-CG 3.65Å; W1027-Q1066 HydrophobicContact CZ2-CB 4.07Å; W1027-Q1066 HydrophobicContact CZ2-CG 3.59Å; W1027-Q1066 HydrophobicContact CZ3-CB 4.27Å; W1027-Q1066 HydrophobicContact CZ3-CG 3.82Å
1028	G	74.6	Confident	72.3	Confident	36 Å²	36	80.9 Å²	80.9	37%	0.371	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-67	170.9	171.7	0	0	0	0	0	112.2	D1026 Q1039 M1040	D1026-G1028 PolarHBondContact O-N 3.24Å; G1028-Q1039 WeakPolarHBondContact O-CB 3.28Å; G1028-M1040 PolarHBondContact N-O 3.48Å
1029	Q	75.5	Confident	72.7	Confident	194 Å²	194	79 Å²	79	91%	0.907	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-56.3	147.7	179.6	-68.6	-177.5	-14.7	0	0	112.2	S1031	Q1029-S1031 PolarHBondContact O-N 2.84Å
1030	C	77.4	Confident	73.2	Confident	30 Å²	30	79.2 Å²	79.2	20%	0.203	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-61.9	133.7	177.1	-162.4	0	0	0	0	110.7	A1032 C1068	C1030-A1032 PolarHBondContact O-N 3.45Å; C1030-A1032 VanDerWaalsContact O-N 3.16Å; C1030-C1068 WeakPolarHBondContact CA-SG 3.44Å; C1030-C1068 HydrophobicContact CB-CB 3.79Å; C1030-C1068 WeakPolarHBondContact CB-SG 3.45Å; C1030-C1068 WeakPolarHBondContact SG-CB 3Å; C1030-C1068 CovalentContact SG-SG 2.03Å; C1030-C1068 PolarHBondContact SG-SG 3.31Å
1031	S	74	Confident	73.6	Confident	94 Å²	94	80.4 Å²	80.4	66%	0.657	43%	0.429	S	S	*	.	S	Bend	trans	-63.9	-19.3	-179	63.3	0	0	0	0	114.1	Q1029 Q1038	Q1029-S1031 PolarHBondContact O-N 2.84Å; S1031-Q1038 VanDerWaalsContact CB-O 3.27Å; S1031-Q1038 WeakPolarHBondContact CB-O 3.49Å; S1031-Q1038 PolarHBondContact N-O 2.02Å; S1031-Q1038 PolarHBondContact OG-N 3.5Å; S1031-Q1038 PolarHBondContact OG-O 2.96Å; S1031-Q1038 VanDerWaalsContact OG-O 3.12Å
1032	A	56.3	Low	73.7	Confident	20 Å²	20	75.5 Å²	75.5	17%	0.165	42%	0.42	C	S	.	.			trans	-94.7	127.9	170.6	0	0	0	0	0	110.5	C1030 C1034 L1036 S1070	C1030-A1032 PolarHBondContact O-N 3.45Å; C1030-A1032 VanDerWaalsContact O-N 3.16Å; A1032-C1034 VanDerWaalsContact C-N 3.25Å; A1032-L1036 WeakPolarHBondContact CB-O 3.15Å; A1032-S1070 WeakPolarHBondContact O-CB 3.34Å; A1032-S1070 PolarHBondContact O-OG 3.38Å
1033	Q	62.6	Low	73.8	Confident	186 Å²	186	74.2 Å²	74.2	87%	0.869	42%	0.417	S	S	*	.	S	Bend	trans	-78.8	-8.8	169.5	-68.8	-177.9	-42.7	0	0	113.2	C1072	Q1033-C1072 PolarHBondContact O-SG 3.11Å
1034	C	59	Low	73.7	Confident	93 Å²	93	76.9 Å²	76.9	63%	0.628	43%	0.426	S	S	*	.	S	Bend	trans	-147.7	127	175.6	-178.1	0	0	0	0	109.4	A1032 S1070 C1072	A1032-C1034 VanDerWaalsContact C-N 3.25Å; C1034-S1070 WeakPolarHBondContact CA-OG 3.44Å; C1034-S1070 PolarHBondContact N-OG 3.16Å; C1034-S1070 VanDerWaalsContact N-OG 3.16Å; C1034-C1072 VanDerWaalsContact CA-SG 3.58Å; C1034-C1072 WeakPolarHBondContact CB-SG 3.5Å
1035	G	63.7	Low	73.7	Confident	21 Å²	21	74.9 Å²	74.9	22%	0.216	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.5	-154.4	175	0	0	0	0	0	114	E1069 S1070	G1035-E1069 WeakPolarHBondContact O-CA 3.37Å; G1035-S1070 PolarHBondContact N-O 3.47Å; G1035-S1070 PolarHBondContact O-N 2.95Å; G1035-S1070 PolarHBondContact O-OG 3.07Å
1036	L	63.2	Low	73.6	Confident	126 Å²	126	75.2 Å²	75.2	66%	0.66	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.3	-171.1	-70.9	168.7	0	0	0	112.8	A1032 C1068 E1069	A1032-L1036 WeakPolarHBondContact CB-O 3.15Å; L1036-C1068 WeakPolarHBondContact CA-O 3.46Å; L1036-E1069 HydrophobicContact CD2-CB 4.01Å; L1036-E1069 HydrophobicContact CD2-CG 4.02Å; L1036-E1069 HydrophobicContact CG-CG 4.29Å
1037	G	69.9	Low	73.1	Confident	11 Å²	11	69.2 Å²	69.2	11%	0.113	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	-161.5	175.7	0	0	0	0	0	112.6	Q1067 C1068	G1037-Q1067 WeakPolarHBondContact O-CA 3.33Å; G1037-C1068 PolarHBondContact N-O 3.27Å; G1037-C1068 PolarHBondContact O-N 3.45Å
1038	Q	75.9	Confident	72.5	Confident	91 Å²	91	71 Å²	71	43%	0.425	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.9	176.8	-70.3	175.1	-17.3	0	0	110.7	S1031 M1065 Q1066 Q1067 C1068	S1031-Q1038 VanDerWaalsContact CB-O 3.27Å; S1031-Q1038 WeakPolarHBondContact CB-O 3.49Å; S1031-Q1038 PolarHBondContact N-O 2.02Å; S1031-Q1038 PolarHBondContact OG-N 3.5Å; S1031-Q1038 PolarHBondContact OG-O 2.96Å; S1031-Q1038 VanDerWaalsContact OG-O 3.12Å; Q1038-M1065 HydrophobicContact CB-CG 4.38Å; Q1038-M1065 PolarHBondContact OE1-SD 2.9Å; Q1038-M1065 VanDerWaalsContact OE1-SD 3.39Å; Q1038-Q1066 CarbonylContact C-O 3.57Å; Q1038-Q1066 WeakPolarHBondContact CA-O 3.49Å; Q1038-Q1067 HydrophobicContact CG-CG 4.25Å; Q1038-C1068 VanDerWaalsContact CA-SG 3.58Å; Q1038-C1068 PolarHBondContact N-SG 3.32Å; Q1038-C1068 VanDerWaalsContact N-SG 3.43Å
1039	Q	75.9	Confident	72	Confident	40 Å²	40	72.6 Å²	72.6	19%	0.187	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.1	175.5	53.1	-173.8	-24.8	0	0	108.8	W1027 G1028 M1065 Q1066 Q1067 C1068	W1027-Q1039 HydrophobicContact CB-CB 4.42Å; W1027-Q1039 HydrophobicContact CB-CG 4.27Å; W1027-Q1039 VanDerWaalsContact CB-OE1 3.32Å; W1027-Q1039 HydrophobicContact CD2-CG 4.29Å; W1027-Q1039 HydrophobicContact CE3-CB 4.44Å; W1027-Q1039 HydrophobicContact CE3-CG 4.04Å; W1027-Q1039 HydrophobicContact CG-CG 4.42Å; W1027-Q1039 WeakPolarHBondContact CZ3-O 3.01Å; G1028-Q1039 WeakPolarHBondContact O-CB 3.28Å; Q1039-M1065 WeakPolarHBondContact O-CA 3.44Å; Q1039-Q1066 HydrophobicContact CG-CG 3.59Å; Q1039-Q1066 PolarHBondContact N-O 2.89Å; Q1039-Q1066 PolarHBondContact O-N 2.93Å; Q1039-Q1067 PolarHBondContact NE2-O 3.49Å; Q1039-C1068 HydrophobicContact CB-CB 4.33Å; Q1039-C1068 HydrophobicContact CG-CB 3.92Å; Q1039-C1068 PolarHBondContact N-SG 2.85Å; Q1039-C1068 VanDerWaalsContact N-SG 3.42Å
1040	M	78.6	Confident	71.4	Confident	112 Å²	112	65.7 Å²	65.7	55%	0.552	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.8	-180	-65.9	-176.2	71.7	0	0	110.5	G1028 S1064 M1065	G1028-M1040 PolarHBondContact N-O 3.48Å; M1040-S1064 CarbonylContact C-O 3.59Å; M1040-S1064 VanDerWaalsContact CA-O 3.23Å; M1040-S1064 WeakPolarHBondContact CA-O 3.46Å; M1040-M1065 HydrophobicContact CE-CE 4Å; M1040-M1065 HydrophobicContact CG-CB 4.32Å; M1040-M1065 HydrophobicContact CG-CE 3.83Å; M1040-M1065 HydrophobicContact CG-CG 4.22Å; M1040-M1065 HydrophobicContact SD-CE 3.6Å; M1040-M1065 VanDerWaalsContact SD-CE 3.6Å
1041	R	79.6	Confident	71.1	Confident	52 Å²	52	70.7 Å²	70.7	20%	0.196	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.8	174.3	68.4	-177.7	171.3	175.1	-10.1	111.5	T1024 G1025 D1026 W1027 V1043 P1063 S1064	T1024-R1041 PolarHBondContact OG1-NH1 2.94Å; G1025-R1041 WeakPolarHBondContact O-CD 3.04Å; D1026-R1041 VanDerWaalsContact O-CB 3.23Å; D1026-R1041 WeakPolarHBondContact O-CB 3.5Å; W1027-R1041 HydrophobicContact CD2-CB 3.98Å; W1027-R1041 HydrophobicContact CD2-CG 4.04Å; W1027-R1041 HydrophobicContact CE3-CB 3.65Å; W1027-R1041 HydrophobicContact CE3-CG 3.72Å; W1027-R1041 HydrophobicContact CG-CB 4.5Å; W1027-R1041 HydrophobicContact CH2-CG 3.86Å; W1027-R1041 HydrophobicContact CZ2-CG 4.17Å; W1027-R1041 VanDerWaalsContact CZ2-CZ 3.47Å; W1027-R1041 HydrophobicContact CZ3-CB 4.02Å; W1027-R1041 HydrophobicContact CZ3-CG 3.61Å; R1041-V1043 HydrophobicContact CG-CG2 4.01Å; R1041-P1063 PolarHBondContact NE-O 2.9Å; R1041-P1063 PolarHBondContact NH2-O 3.02Å; R1041-S1064 PolarHBondContact N-O 2.9Å
1042	T	77.9	Confident	70.8	Confident	85 Å²	85	70.6 Å²	70.6	52%	0.521	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135	168	50	0	0	0	0	109.7	T1024 G1025	T1024-T1042 CarbonylContact C-O 3.35Å; T1024-T1042 VanDerWaalsContact CA-O 3.3Å; T1024-T1042 WeakPolarHBondContact CA-O 3.49Å; G1025-T1042 WeakPolarHBondContact CA-OG1 3.23Å; G1025-T1042 PolarHBondContact N-O 3.43Å; G1025-T1042 PolarHBondContact N-OG1 2.95Å
1043	V	84.5	Confident	71.5	Confident	16 Å²	16	71.3 Å²	71.3	10%	0.097	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	106.6	173.3	-178.7	0	0	0	0	106.5	W1022 T1024 R1041 R1061 P1062	W1022-V1043 HydrophobicContact CD2-CG1 4.45Å; W1022-V1043 HydrophobicContact CE3-CG1 3.86Å; W1022-V1043 HydrophobicContact CZ3-CG1 4.48Å; T1024-V1043 HydrophobicContact CG2-CG1 4.33Å; T1024-V1043 HydrophobicContact CG2-CG2 4.09Å; R1041-V1043 HydrophobicContact CG-CG2 4.01Å; V1043-R1061 HydrophobicContact CG1-CG 3.97Å; V1043-P1062 HydrophobicContact CG1-CB 4.46Å; V1043-P1062 HydrophobicContact CG1-CG 4.49Å
1044	Q	78.6	Confident	71.9	Confident	112 Å²	112	67.3 Å²	67.3	52%	0.523	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.2	-171.3	-69.9	-179.3	-24	0	0	110.3	V1023 L1046	V1023-Q1044 PolarHBondContact N-O 3.37Å; V1023-Q1044 PolarHBondContact O-N 3.23Å; Q1044-L1046 HydrophobicContact CB-CD2 4.24Å; Q1044-L1046 HydrophobicContact CB-CG 4.38Å; Q1044-L1046 PolarHBondContact O-N 3.29Å
1045	C	81.4	Confident	72.5	Confident	10 Å²	10	68.3 Å²	68.3	7%	0.068	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.6	170.6	176.2	0	0	0	0	108.2	W1022 S1053 C1056	W1022-C1045 HydrophobicContact CD2-CB 4.34Å; W1022-C1045 HydrophobicContact CE3-CB 3.86Å; W1022-C1045 HydrophobicContact CH2-CB 4.06Å; W1022-C1045 HydrophobicContact CZ3-CB 3.72Å; C1045-S1053 VanDerWaalsContact CB-O 3.23Å; C1045-S1053 WeakPolarHBondContact CB-O 3.46Å; C1045-S1053 PolarHBondContact O-N 2.99Å; C1045-S1053 PolarHBondContact SG-O 3.09Å; C1045-C1056 WeakPolarHBondContact CA-SG 3.1Å; C1045-C1056 HydrophobicContact CB-CB 3.7Å; C1045-C1056 WeakPolarHBondContact CB-SG 3.45Å; C1045-C1056 WeakPolarHBondContact SG-CB 3.02Å; C1045-C1056 PolarHBondContact SG-N 3.34Å; C1045-C1056 CovalentContact SG-SG 2.02Å; C1045-C1056 PolarHBondContact SG-SG 2.62Å
1046	L	74.1	Confident	73.2	Confident	33 Å²	33	67.7 Å²	67.7	17%	0.173	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138	-179.5	-60.1	-176.5	0	0	0	110.7	P1020 R1021 V1023 Q1044 Q1051	P1020-L1046 CarbonylContact C-O 3.57Å; P1020-L1046 WeakPolarHBondContact CA-O 3.48Å; P1020-L1046 WeakPolarHBondContact CB-O 3.39Å; R1021-L1046 PolarHBondContact N-O 3.33Å; R1021-L1046 PolarHBondContact O-N 3.45Å; V1023-L1046 HydrophobicContact CB-CD1 3.96Å; V1023-L1046 HydrophobicContact CB-CG 4.33Å; V1023-L1046 HydrophobicContact CG1-CD1 4.35Å; V1023-L1046 HydrophobicContact CG2-CB 4.17Å; V1023-L1046 HydrophobicContact CG2-CD1 4.03Å; V1023-L1046 HydrophobicContact CG2-CG 4.3Å; Q1044-L1046 HydrophobicContact CB-CD2 4.24Å; Q1044-L1046 HydrophobicContact CB-CG 4.38Å; Q1044-L1046 PolarHBondContact O-N 3.29Å; L1046-Q1051 CarbonylContact C-O 3.27Å; L1046-Q1051 WeakPolarHBondContact CA-O 3.37Å
1047	S	70.9	Confident	73.9	Confident	28 Å²	28	65.3 Å²	65.3	20%	0.196	38%	0.376	C	S	.	.			trans	-62.5	168.2	166.8	70.7	0	0	0	0	111.4	T1049 G1050 Q1051	S1047-T1049 PolarHBondContact O-N 3.16Å; S1047-T1049 VanDerWaalsContact O-N 3.12Å; S1047-T1049 PolarHBondContact OG-N 2.97Å; S1047-T1049 PolarHBondContact OG-OG1 3.42Å; S1047-G1050 PolarHBondContact O-N 3.12Å; S1047-G1050 PolarHBondContact OG-N 2.04Å; S1047-Q1051 PolarHBondContact N-O 3.46Å; S1047-Q1051 PolarHBondContact OG-N 3.2Å; S1047-Q1051 VanDerWaalsContact OG-N 3.08Å; S1047-Q1051 PolarHBondContact OG-O 2.91Å
1048	Y	69.3	Low	74.1	Confident	101 Å²	101	70.3 Å²	70.3	40%	0.396	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.4	171.7	84.6	-83.5	0	0	0	113.7	C975 C1017	C975-Y1048 WeakPolarHBondContact SG-CE2 3.47Å; C1017-Y1048 HydrophobicContact CB-CD1 3.62Å; C1017-Y1048 HydrophobicContact CB-CE1 3.49Å; C1017-Y1048 VanDerWaalsContact CB-CE1 3.49Å; C1017-Y1048 HydrophobicContact CB-CG 4.38Å; C1017-Y1048 WeakPolarHBondContact SG-CE1 2.99Å; C1017-Y1048 PolarHBondContact SG-OH 3.13Å
1049	T	63.8	Low	74.1	Confident	69 Å²	69	72.5 Å²	72.5	42%	0.423	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.1	173.9	52.6	0	0	0	0	113.8	S1047 Q1051	S1047-T1049 PolarHBondContact O-N 3.16Å; S1047-T1049 VanDerWaalsContact O-N 3.12Å; S1047-T1049 PolarHBondContact OG-N 2.97Å; S1047-T1049 PolarHBondContact OG-OG1 3.42Å; T1049-Q1051 VanDerWaalsContact C-N 3.3Å; T1049-Q1051 PolarHBondContact OG1-OE1 3.09Å
1050	G	63.1	Low	74.1	Confident	50 Å²	50	75.3 Å²	75.3	52%	0.515	44%	0.436	S	S	.	.	S	Bend	trans	77.7	11.1	-175.9	0	0	0	0	0	114.6	S1047	S1047-G1050 PolarHBondContact O-N 3.12Å; S1047-G1050 PolarHBondContact OG-N 2.04Å
1051	Q	70	Confident	74.3	Confident	134 Å²	134	75.3 Å²	75.3	63%	0.626	43%	0.429	S	S	*	.			trans	-88	147.7	175.9	-65.1	170.9	-56.4	0	0	110.2	L1046 S1047 T1049	L1046-Q1051 CarbonylContact C-O 3.27Å; L1046-Q1051 WeakPolarHBondContact CA-O 3.37Å; S1047-Q1051 PolarHBondContact N-O 3.46Å; S1047-Q1051 PolarHBondContact OG-N 3.2Å; S1047-Q1051 VanDerWaalsContact OG-N 3.08Å; S1047-Q1051 PolarHBondContact OG-O 2.91Å; T1049-Q1051 VanDerWaalsContact C-N 3.3Å; T1049-Q1051 PolarHBondContact OG1-OE1 3.09Å
1052	A	67.6	Low	74.4	Confident	93 Å²	93	74.5 Å²	74.5	77%	0.769	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-62.6	138.4	177.1	0	0	0	0	0	111.7
1053	S	71.9	Confident	74.3	Confident	35 Å²	35	74.6 Å²	74.6	25%	0.245	43%	0.433	C	S	.	.			trans	-136.8	159.9	179.5	168.3	0	0	0	0	110.5	P1020 C1045 D1055	P1020-S1053 WeakPolarHBondContact CB-OG 3.49Å; P1020-S1053 WeakPolarHBondContact CG-OG 3.2Å; C1045-S1053 VanDerWaalsContact CB-O 3.23Å; C1045-S1053 WeakPolarHBondContact CB-O 3.46Å; C1045-S1053 PolarHBondContact O-N 2.99Å; C1045-S1053 PolarHBondContact SG-O 3.09Å; S1053-D1055 PolarHBondContact OG-N 3.46Å; S1053-D1055 PolarHBondContact OG-OD2 3.44Å; S1053-D1055 VanDerWaalsContact OG-OD2 3.09Å
1054	S	71.3	Confident	74	Confident	102 Å²	102	76.3 Å²	76.3	71%	0.713	45%	0.446	S	S	*	.	S	Bend	trans	-93.2	-14.7	175.3	37.6	0	0	0	0	114	C1056	S1054-C1056 PolarHBondContact O-N 3.26Å
1055	D	71.3	Confident	73.9	Confident	113 Å²	113	75 Å²	75	60%	0.604	44%	0.441	S	S	*	.			trans	-99.2	17.8	-151.4	-34.7	-49.3	0	0	0	113.5	P1020 S1053	P1020-D1055 HydrophobicContact CG-CB 3.87Å; S1053-D1055 PolarHBondContact OG-N 3.46Å; S1053-D1055 PolarHBondContact OG-OD2 3.44Å; S1053-D1055 VanDerWaalsContact OG-OD2 3.09Å
1056	C	78.8	Confident	73.8	Confident	9 Å²	9	78.4 Å²	78.4	6%	0.061	46%	0.456	C	S	.	.	S	Bend	trans	-80.3	134.7	173	-59.9	0	0	0	0	110.7	P1020 R1021 W1022 C1045 S1054 E1058	P1020-C1056 PolarHBondContact O-SG 2.71Å; R1021-C1056 VanDerWaalsContact CA-SG 3.58Å; R1021-C1056 PolarHBondContact N-SG 2.04Å; R1021-C1056 VanDerWaalsContact N-SG 3.45Å; W1022-C1056 HydrophobicContact CD2-CB 3.95Å; W1022-C1056 VanDerWaalsContact CE2-CB 3.48Å; W1022-C1056 HydrophobicContact CG-CB 4.21Å; W1022-C1056 HydrophobicContact CZ2-CB 3.84Å; C1045-C1056 WeakPolarHBondContact CA-SG 3.1Å; C1045-C1056 HydrophobicContact CB-CB 3.7Å; C1045-C1056 WeakPolarHBondContact CB-SG 3.45Å; C1045-C1056 WeakPolarHBondContact SG-CB 3.02Å; C1045-C1056 PolarHBondContact SG-N 3.34Å; C1045-C1056 CovalentContact SG-SG 2.02Å; C1045-C1056 PolarHBondContact SG-SG 2.62Å; S1054-C1056 PolarHBondContact O-N 3.26Å; C1056-E1058 PolarHBondContact O-N 3.41Å
1057	P	76.6	Confident	74	Confident	76 Å²	76	83.6 Å²	83.6	49%	0.494	48%	0.479	S	S	.	.			trans	-66.3	124.2	176.9	-16.5	29.1	0	0	0	111.4	W1022 T1059 V1060	W1022-P1057 PolarHBondContact NE1-O 3.15Å; P1057-T1059 PolarHBondContact O-N 3.2Å; P1057-V1060 HydrophobicContact CB-CG2 4.19Å; P1057-V1060 HydrophobicContact CG-CG2 4.47Å; P1057-V1060 WeakPolarHBondContact O-CG2 3.34Å; P1057-V1060 PolarHBondContact O-N 2.97Å
1058	E	75.6	Confident	74.1	Confident	116 Å²	116	83.2 Å²	83.2	54%	0.542	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26.3	177.3	-76.9	-74.3	158.5	0	0	112.6	W1022 C1056 V1060 R1061	W1022-E1058 WeakPolarHBondContact CH2-OE1 3.38Å; W1022-E1058 HydrophobicContact CZ2-CG 4.44Å; W1022-E1058 WeakPolarHBondContact CZ2-OE1 3.23Å; C1056-E1058 PolarHBondContact O-N 3.41Å; E1058-V1060 PolarHBondContact O-N 3.04Å; E1058-V1060 VanDerWaalsContact O-N 3.13Å; E1058-R1061 VanDerWaalsContact O-CB 3.23Å; E1058-R1061 WeakPolarHBondContact O-CB 3.47Å; E1058-R1061 PolarHBondContact O-N 3.13Å; E1058-R1061 IonicContact OE1-CZ 2.73Å; E1058-R1061 IonicContact OE1-NH1 3.12Å; E1058-R1061 PolarHBondContact OE1-NH1 3.23Å; E1058-R1061 WeakPolarHBondContact OE2-CD 3.34Å; E1058-R1061 IonicContact OE2-CZ 3.79Å; E1058-R1061 IonicContact OE2-NE 2.81Å; E1058-R1061 IonicContact OE2-NH1 3.75Å; E1058-R1061 PolarHBondContact OE2-NH1 3.4Å
1059	T	74.5	Confident	74	Confident	136 Å²	136	85.4 Å²	85.4	83%	0.834	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.3	177.4	52.2	0	0	0	0	114.5	P1057	P1057-T1059 PolarHBondContact O-N 3.2Å
1060	V	77.4	Confident	73.7	Confident	99 Å²	99	83.6 Å²	83.6	60%	0.6	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-117.2	20.7	175	-62.9	0	0	0	0	112.4	P1057 E1058 P1062	P1057-V1060 HydrophobicContact CB-CG2 4.19Å; P1057-V1060 HydrophobicContact CG-CG2 4.47Å; P1057-V1060 WeakPolarHBondContact O-CG2 3.34Å; P1057-V1060 PolarHBondContact O-N 2.97Å; E1058-V1060 PolarHBondContact O-N 3.04Å; E1058-V1060 VanDerWaalsContact O-N 3.13Å; V1060-P1062 WeakPolarHBondContact O-CD 3.26Å
1061	R	81.9	Confident	73.3	Confident	112 Å²	112	91.2 Å²	91.2	42%	0.423	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-71.4	121.5	177.2	-174.3	171.3	-179	173.9	3.9	111.1	W1022 V1043 E1058	W1022-R1061 HydrophobicContact CD2-CB 4.25Å; W1022-R1061 HydrophobicContact CD2-CG 3.95Å; W1022-R1061 HydrophobicContact CE3-CG 4.16Å; W1022-R1061 HydrophobicContact CH2-CG 4.2Å; W1022-R1061 HydrophobicContact CZ2-CB 4.08Å; W1022-R1061 HydrophobicContact CZ2-CG 3.97Å; W1022-R1061 HydrophobicContact CZ3-CG 4.28Å; V1043-R1061 HydrophobicContact CG1-CG 3.97Å; E1058-R1061 VanDerWaalsContact O-CB 3.23Å; E1058-R1061 WeakPolarHBondContact O-CB 3.47Å; E1058-R1061 PolarHBondContact O-N 3.13Å; E1058-R1061 IonicContact OE1-CZ 2.73Å; E1058-R1061 IonicContact OE1-NH1 3.12Å; E1058-R1061 PolarHBondContact OE1-NH1 3.23Å; E1058-R1061 WeakPolarHBondContact OE2-CD 3.34Å; E1058-R1061 IonicContact OE2-CZ 3.79Å; E1058-R1061 IonicContact OE2-NE 2.81Å; E1058-R1061 IonicContact OE2-NH1 3.75Å; E1058-R1061 PolarHBondContact OE2-NH1 3.4Å
1062	P	81.6	Confident	72.4	Confident	36 Å²	36	88.3 Å²	88.3	23%	0.234	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-63.9	148.7	177	-23.7	35.4	0	0	0	112.3	W1022 T1024 V1043 V1060 S1064	W1022-P1062 VanDerWaalsContact CB-CD 3.48Å; W1022-P1062 HydrophobicContact CB-CG 4.13Å; T1024-P1062 HydrophobicContact CG2-CB 3.59Å; T1024-P1062 HydrophobicContact CG2-CG 3.66Å; V1043-P1062 HydrophobicContact CG1-CB 4.46Å; V1043-P1062 HydrophobicContact CG1-CG 4.49Å; V1060-P1062 WeakPolarHBondContact O-CD 3.26Å; P1062-S1064 PolarHBondContact O-N 3.24Å
1063	P	75.3	Confident	70.9	Confident	86 Å²	86	92 Å²	92	56%	0.558	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-62.9	135.4	176.2	25.4	-33.8	0	0	0	111.1	W1027 R1041	W1027-P1063 WeakPolarHBondContact CH2-O 3.41Å; R1041-P1063 PolarHBondContact NE-O 2.9Å; R1041-P1063 PolarHBondContact NH2-O 3.02Å
1064	S	78.6	Confident	69.3	Low	52 Å²	52	94.9 Å²	94.9	36%	0.364	52%	0.52	S	S	.	.	S	Bend	trans	-93.3	-2	179.3	53.7	0	0	0	0	114	W1027 M1040 R1041 P1062	W1027-S1064 WeakPolarHBondContact CZ3-O 2.97Å; M1040-S1064 CarbonylContact C-O 3.59Å; M1040-S1064 VanDerWaalsContact CA-O 3.23Å; M1040-S1064 WeakPolarHBondContact CA-O 3.46Å; R1041-S1064 PolarHBondContact N-O 2.9Å; P1062-S1064 PolarHBondContact O-N 3.24Å
1065	M	77.7	Confident	67.5	Low	84 Å²	84	96 Å²	96	41%	0.414	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.5	179.5	-176	-179.5	-78.8	0	0	110.1	Q1038 Q1039 M1040	Q1038-M1065 HydrophobicContact CB-CG 4.38Å; Q1038-M1065 PolarHBondContact OE1-SD 2.9Å; Q1038-M1065 VanDerWaalsContact OE1-SD 3.39Å; Q1039-M1065 WeakPolarHBondContact O-CA 3.44Å; M1040-M1065 HydrophobicContact CE-CE 4Å; M1040-M1065 HydrophobicContact CG-CB 4.32Å; M1040-M1065 HydrophobicContact CG-CE 3.83Å; M1040-M1065 HydrophobicContact CG-CG 4.22Å; M1040-M1065 HydrophobicContact SD-CE 3.6Å; M1040-M1065 VanDerWaalsContact SD-CE 3.6Å
1066	Q	79.7	Confident	66.4	Low	83 Å²	83	96.1 Å²	96.1	39%	0.388	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	166.7	168.5	70.3	179	19.7	0	0	110.7	W1027 Q1038 Q1039	W1027-Q1066 HydrophobicContact CD2-CG 3.91Å; W1027-Q1066 HydrophobicContact CE3-CG 3.94Å; W1027-Q1066 HydrophobicContact CH2-CB 3.84Å; W1027-Q1066 HydrophobicContact CH2-CG 3.65Å; W1027-Q1066 HydrophobicContact CZ2-CB 4.07Å; W1027-Q1066 HydrophobicContact CZ2-CG 3.59Å; W1027-Q1066 HydrophobicContact CZ3-CB 4.27Å; W1027-Q1066 HydrophobicContact CZ3-CG 3.82Å; Q1038-Q1066 CarbonylContact C-O 3.57Å; Q1038-Q1066 WeakPolarHBondContact CA-O 3.49Å; Q1039-Q1066 HydrophobicContact CG-CG 3.59Å; Q1039-Q1066 PolarHBondContact N-O 2.89Å; Q1039-Q1066 PolarHBondContact O-N 2.93Å
1067	Q	78.3	Confident	64.1	Low	142 Å²	142	104.1 Å²	104.1	66%	0.664	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.1	163.2	174.6	-78.5	178.3	-50.6	0	0	112.7	G1037 Q1038 Q1039	G1037-Q1067 WeakPolarHBondContact O-CA 3.33Å; Q1038-Q1067 HydrophobicContact CG-CG 4.25Å; Q1039-Q1067 PolarHBondContact NE2-O 3.49Å
1068	C	72.4	Confident	62.2	Low	19 Å²	19	105.2 Å²	105.2	13%	0.128	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-156.7	167.9	179.3	47.5	0	0	0	0	110.3	C1030 L1036 G1037 Q1038 Q1039	C1030-C1068 WeakPolarHBondContact CA-SG 3.44Å; C1030-C1068 HydrophobicContact CB-CB 3.79Å; C1030-C1068 WeakPolarHBondContact CB-SG 3.45Å; C1030-C1068 WeakPolarHBondContact SG-CB 3Å; C1030-C1068 CovalentContact SG-SG 2.03Å; C1030-C1068 PolarHBondContact SG-SG 3.31Å; L1036-C1068 WeakPolarHBondContact CA-O 3.46Å; G1037-C1068 PolarHBondContact N-O 3.27Å; G1037-C1068 PolarHBondContact O-N 3.45Å; Q1038-C1068 VanDerWaalsContact CA-SG 3.58Å; Q1038-C1068 PolarHBondContact N-SG 3.32Å; Q1038-C1068 VanDerWaalsContact N-SG 3.43Å; Q1039-C1068 HydrophobicContact CB-CB 4.33Å; Q1039-C1068 HydrophobicContact CG-CB 3.92Å; Q1039-C1068 PolarHBondContact N-SG 2.85Å; Q1039-C1068 VanDerWaalsContact N-SG 3.42Å
1069	E	66.2	Low	60	Low	148 Å²	148	107.5 Å²	107.5	69%	0.692	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-139.7	138.9	175.2	-162.1	172.3	-165	0	0	109.7	G1035 L1036	G1035-E1069 WeakPolarHBondContact O-CA 3.37Å; L1036-E1069 HydrophobicContact CD2-CB 4.01Å; L1036-E1069 HydrophobicContact CD2-CG 4.02Å; L1036-E1069 HydrophobicContact CG-CG 4.29Å
1070	S	58	Low	58.6	Low	30 Å²	30	107.3 Å²	107.3	21%	0.21	59%	0.594	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.7	148.3	-176.6	61.5	0	0	0	0	113.1	A1032 C1034 G1035	A1032-S1070 WeakPolarHBondContact O-CB 3.34Å; A1032-S1070 PolarHBondContact O-OG 3.38Å; C1034-S1070 WeakPolarHBondContact CA-OG 3.44Å; C1034-S1070 PolarHBondContact N-OG 3.16Å; C1034-S1070 VanDerWaalsContact N-OG 3.16Å; G1035-S1070 PolarHBondContact N-O 3.47Å; G1035-S1070 PolarHBondContact O-N 2.95Å; G1035-S1070 PolarHBondContact O-OG 3.07Å
1071	K	55.9	Low	57.1	Low	211 Å²	211	111.5 Å²	111.5	92%	0.917	61%	0.607	S	S	*	*			trans	-111.6	147.3	175.3	-65.9	-171.2	177.9	-173.7	0	110.2
1072	C	51	Low	55.9	Low	73 Å²	73	114.7 Å²	114.7	49%	0.493	63%	0.627	S	S	.	*			trans	-109.7	140.6	-172.6	-46	0	0	0	0	111.8	Q1033 C1034	Q1033-C1072 PolarHBondContact O-SG 3.11Å; C1034-C1072 VanDerWaalsContact CA-SG 3.58Å; C1034-C1072 WeakPolarHBondContact CB-SG 3.5Å
1073	D	36	Very low	54.9	Low	170 Å²	170	116 Å²	116	91%	0.909	64%	0.635	S	S	*	*			trans	-158.9	174.6	148.3	-113.1	-37.5	0	0	0	110.5
1074	S	36.6	Very low	54.3	Low	96 Å²	96	119.9 Å²	119.9	67%	0.671	64%	0.644	S	S	*	*			trans	-96.1	136.2	-153.1	60.2	0	0	0	0	118.1
1075	T	34.5	Very low	53.8	Low	126 Å²	126	118.7 Å²	118.7	77%	0.773	63%	0.633	S	S	*	*			trans	23	158.4	134.6	65.4	0	0	0	0	122.3
1076	P	47.5	Very low	53.1	Low	115 Å²	115	120.2 Å²	120.2	75%	0.747	65%	0.647	S	S	*	*			cis	-141	-172.6	-42.1	41.6	-24.8	0	0	0	112
1077	I	31.5	Very low	51.9	Low	176 Å²	176	122 Å²	122	90%	0.903	66%	0.659	S	S	*	*			trans	-156.9	146	144.1	-104.9	153.3	0	0	0	108.7
1078	S	35.3	Very low	50.8	Low	99 Å²	99	122.9 Å²	122.9	69%	0.692	66%	0.661	S	S	*	*			trans	-113	157.8	-173.3	56.4	0	0	0	0	113
1079	N	31.2	Very low	50.1	Low	164 Å²	164	128.6 Å²	128.6	88%	0.877	70%	0.695	S	S	*	*			trans	-158.3	129.6	146.7	-103.5	-19.9	0	0	0	111.1
1080	T	43.6	Very low	49.6	Very low	133 Å²	133	124.9 Å²	124.9	82%	0.816	69%	0.69	S	S	*	*			trans	-154.8	120.5	176.8	48.8	0	0	0	0	111.3
1081	E	46.1	Very low	50	Low	186 Å²	186	129.3 Å²	129.3	87%	0.869	70%	0.702	S	S	*	*			trans	-134.1	108.5	157.1	-71.5	-166.8	149.6	0	0	105.7
1082	E	56.9	Low	50.6	Low	180 Å²	180	119.5 Å²	119.5	84%	0.841	66%	0.661	S	S	*	*				87.2	134.3	86.4	-84.4	-110.4	136.9	0	0	112.9
1083	C	61.4	Low	51.5	Low	62 Å²	62	119.7 Å²	119.7	42%	0.419	66%	0.661	S	S	.	*			trans	-136.1	142.5	-155.6	-161.6	0	0	0	0	111.7	C1111	C1083-C1111 HydrophobicContact CB-CB 4.01Å; C1083-C1111 WeakPolarHBondContact CB-SG 3.47Å; C1083-C1111 WeakPolarHBondContact SG-CB 2.93Å; C1083-C1111 CovalentContact SG-SG 2.04Å; C1083-C1111 PolarHBondContact SG-SG 3.21Å
1084	K	61.9	Low	53.1	Low	169 Å²	169	115.8 Å²	115.8	74%	0.735	64%	0.64	S	S	*	*			trans	-137.9	146.9	-170.8	-67.7	173.4	-176.4	165.1	0	112.4
1085	D	68	Low	54.7	Low	27 Å²	27	111.6 Å²	111.6	14%	0.144	61%	0.61	C	S	.	*			trans	-74.7	132	176.3	-67.9	-5.9	0	0	0	111.1	M1109 C1110 C1111 K1112 T1113	D1085-M1109 WeakPolarHBondContact CA-O 3.41Å; D1085-C1110 VanDerWaalsContact OD1-CA 3.28Å; D1085-C1110 WeakPolarHBondContact OD1-CA 3.23Å; D1085-C1111 PolarHBondContact OD1-N 3.21Å; D1085-K1112 WeakPolarHBondContact OD1-CA 3.39Å; D1085-K1112 WeakPolarHBondContact OD1-CB 3.03Å; D1085-K1112 PolarHBondContact OD1-N 3.47Å; D1085-T1113 PolarHBondContact OD1-N 2.04Å; D1085-T1113 WeakPolarHBondContact OD2-CB 3.42Å; D1085-T1113 PolarHBondContact OD2-N 2.88Å; D1085-T1113 VanDerWaalsContact OD2-N 3.15Å; D1085-T1113 PolarHBondContact OD2-OG1 3.19Å
1086	V	63.5	Low	56.4	Low	116 Å²	116	108.7 Å²	108.7	70%	0.703	59%	0.589	S	S	*	*	S	Bend	trans	-85.5	-25.3	-167	-172.8	0	0	0	0	113.4	M1109	V1086-M1109 PolarHBondContact N-O 3.32Å; V1086-M1109 VanDerWaalsContact N-O 3.13Å
1087	N	54.1	Low	57.5	Low	119 Å²	119	111 Å²	111	64%	0.636	59%	0.587	S	S	*	*			trans	-146.6	121.6	177.5	-163.6	-19.8	0	0	0	112.4
1088	K	56.2	Low	59.5	Low	162 Å²	162	108.6 Å²	108.6	70%	0.704	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	121.5	-179.3	-73.7	-173.8	177.5	-177.3	0	111.4
1089	V	56.1	Low	61.1	Low	138 Å²	138	112.3 Å²	112.3	84%	0.836	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	173.8	-35.3	134.9	147.7	0	0	0	0	108.8
1090	A	57.1	Low	63.1	Low	71 Å²	71	108.5 Å²	108.5	59%	0.587	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	-37.1	-179.5	0	0	0	0	0	115.6
1091	Y	66.2	Low	64.3	Low	122 Å²	122	102.3 Å²	102.3	48%	0.478	51%	0.512	S	S	.	.	H	α-helix	trans	-78.9	-61.4	-162.2	-164.2	-105.6	0	0	0	114.9	L1094 V1095	Y1091-L1094 WeakPolarHBondContact O-CB 3.39Å; Y1091-L1094 PolarHBondContact O-N 3.17Å; Y1091-L1094 VanDerWaalsContact O-N 3.08Å; Y1091-V1095 HydrophobicContact CD1-CG2 4.39Å; Y1091-V1095 HydrophobicContact CE1-CG2 4.23Å
1092	C	67.4	Low	65.2	Low	6 Å²	6	98 Å²	98	4%	0.041	50%	0.503	C	S	.	.	H	α-helix	trans	-59.6	-35.9	-173.1	-64.9	0	0	0	0	115.8	L1094 V1095 L1096 C1110 T1113	C1092-L1094 PolarHBondContact O-N 3.35Å; C1092-V1095 WeakPolarHBondContact O-CB 3.48Å; C1092-V1095 PolarHBondContact O-N 2.9Å; C1092-L1096 PolarHBondContact O-N 3.25Å; C1092-C1110 WeakPolarHBondContact CA-SG 3.4Å; C1092-C1110 HydrophobicContact CB-CB 3.66Å; C1092-C1110 WeakPolarHBondContact CB-SG 3.39Å; C1092-C1110 VanDerWaalsContact SG-CA 3.57Å; C1092-C1110 WeakPolarHBondContact SG-CB 3.03Å; C1092-C1110 CovalentContact SG-SG 2.04Å; C1092-C1110 PolarHBondContact SG-SG 3.08Å; C1092-T1113 HydrophobicContact CB-CG2 4Å; C1092-T1113 WeakPolarHBondContact O-CG2 3.5Å
1093	P	69.9	Low	65.7	Low	77 Å²	77	96.6 Å²	96.6	50%	0.5	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-29.4	174.9	-26.1	36.4	0	0	0	114	K1097	P1093-K1097 WeakPolarHBondContact O-CB 3.46Å; P1093-K1097 PolarHBondContact O-N 2.76Å
1094	L	70.6	Confident	65.5	Low	88 Å²	88	97.4 Å²	97.4	46%	0.461	50%	0.501	S	S	.	.	H	α-helix	trans	-73.1	-37.4	176.5	-64.1	171.8	0	0	0	111.8	Y1091 C1092 L1096 K1097 F1098	Y1091-L1094 WeakPolarHBondContact O-CB 3.39Å; Y1091-L1094 PolarHBondContact O-N 3.17Å; Y1091-L1094 VanDerWaalsContact O-N 3.08Å; C1092-L1094 PolarHBondContact O-N 3.35Å; L1094-L1096 VanDerWaalsContact C-N 3.26Å; L1094-L1096 PolarHBondContact O-N 2.96Å; L1094-K1097 PolarHBondContact O-N 2.86Å; L1094-F1098 HydrophobicContact CD2-CE2 4.35Å; L1094-F1098 WeakPolarHBondContact O-CD2 3.47Å; L1094-F1098 PolarHBondContact O-N 3.03Å
1095	V	70.3	Confident	65.8	Low	8 Å²	8	96 Å²	96	5%	0.048	49%	0.492	C	S	.	.	H	α-helix	trans	-56.3	-43	174.7	176.6	0	0	0	0	110.9	Y1091 C1092 K1099 F1100 F1106	Y1091-V1095 HydrophobicContact CD1-CG2 4.39Å; Y1091-V1095 HydrophobicContact CE1-CG2 4.23Å; C1092-V1095 WeakPolarHBondContact O-CB 3.48Å; C1092-V1095 PolarHBondContact O-N 2.9Å; V1095-K1099 PolarHBondContact O-N 2.98Å; V1095-F1100 HydrophobicContact CG1-CB 4.14Å; V1095-F1100 PolarHBondContact O-N 2.93Å; V1095-F1106 HydrophobicContact CG1-CB 3.74Å; V1095-F1106 HydrophobicContact CG1-CD1 4.43Å; V1095-F1106 HydrophobicContact CG1-CG 4.27Å; V1095-F1106 HydrophobicContact CG2-CD1 4.1Å
1096	L	69.6	Low	65.6	Low	65 Å²	65	96.9 Å²	96.9	34%	0.34	50%	0.495	S	S	.	.	H	α-helix	trans	-68.3	-48.7	175.2	-178	63.8	0	0	0	111.7	C1092 L1094 F1098 K1099 T1113 H1117	C1092-L1096 PolarHBondContact O-N 3.25Å; L1094-L1096 VanDerWaalsContact C-N 3.26Å; L1094-L1096 PolarHBondContact O-N 2.96Å; L1096-F1098 PolarHBondContact O-N 2.85Å; L1096-K1099 PolarHBondContact O-N 2.87Å; L1096-T1113 HydrophobicContact CB-CG2 4.19Å; L1096-H1117 HydrophobicContact CD1-CB 4.3Å; L1096-H1117 VanDerWaalsContact CD1-CD2 3.44Å; L1096-H1117 WeakPolarHBondContact CD1-CD2 3.4Å
1097	K	71.2	Confident	65.6	Low	162 Å²	162	97.2 Å²	97.2	70%	0.704	48%	0.483	S	S	*	.	H	α-helix	trans	-57.1	-34.5	-178.4	-172.5	174.8	-179.5	178.4	0	113.4	P1093 L1094	P1093-K1097 WeakPolarHBondContact O-CB 3.46Å; P1093-K1097 PolarHBondContact O-N 2.76Å; L1094-K1097 PolarHBondContact O-N 2.86Å
1098	F	72.3	Confident	66.2	Low	126 Å²	126	98.6 Å²	98.6	55%	0.553	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	14.3	177.1	-64.9	-71.9	0	0	0	114.3	L1094 L1096 F1100	L1094-F1098 HydrophobicContact CD2-CE2 4.35Å; L1094-F1098 WeakPolarHBondContact O-CD2 3.47Å; L1094-F1098 PolarHBondContact O-N 3.03Å; L1096-F1098 PolarHBondContact O-N 2.85Å; F1098-F1100 VanDerWaalsContact C-N 3.34Å; F1098-F1100 HydrophobicContact CB-CD2 3.68Å; F1098-F1100 HydrophobicContact CB-CE2 3.44Å; F1098-F1100 VanDerWaalsContact CB-CE2 3.44Å; F1098-F1100 HydrophobicContact CB-CZ 4.25Å; F1098-F1100 HydrophobicContact CG-CE2 4.37Å; F1098-F1100 PolarHBondContact O-N 3.5Å
1099	K	69.9	Low	66.6	Low	178 Å²	178	94.7 Å²	94.7	77%	0.774	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	33.5	175.8	-61.2	-169.2	174.9	-172.8	0	115.7	V1095 L1096	V1095-K1099 PolarHBondContact O-N 2.98Å; L1096-K1099 PolarHBondContact O-N 2.87Å
1100	F	73.3	Confident	67.3	Low	83 Å²	83	88.1 Å²	88.1	36%	0.364	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-86.4	0.5	179.6	-65.6	-53.2	0	0	0	115	V1095 F1098 S1102 R1103 F1106	V1095-F1100 HydrophobicContact CG1-CB 4.14Å; V1095-F1100 PolarHBondContact O-N 2.93Å; F1098-F1100 VanDerWaalsContact C-N 3.34Å; F1098-F1100 HydrophobicContact CB-CD2 3.68Å; F1098-F1100 HydrophobicContact CB-CE2 3.44Å; F1098-F1100 VanDerWaalsContact CB-CE2 3.44Å; F1098-F1100 HydrophobicContact CB-CZ 4.25Å; F1098-F1100 HydrophobicContact CG-CE2 4.37Å; F1098-F1100 PolarHBondContact O-N 3.5Å; F1100-S1102 PolarHBondContact O-N 2.66Å; F1100-S1102 VanDerWaalsContact O-N 3.11Å; F1100-R1103 PolarHBondContact O-N 3.03Å; F1100-F1106 HydrophobicContact CB-CD2 4.23Å
1101	C	69.3	Low	68	Low	3 Å²	3	86 Å²	86	2%	0.02	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-59.3	-19.7	179.1	-71.4	0	0	0	0	115.7	R1103 C1114	C1101-R1103 PolarHBondContact O-N 3.16Å; C1101-C1114 WeakPolarHBondContact CA-SG 3.44Å; C1101-C1114 HydrophobicContact CB-CB 3.49Å; C1101-C1114 VanDerWaalsContact CB-CB 3.49Å; C1101-C1114 WeakPolarHBondContact CB-SG 3.33Å; C1101-C1114 WeakPolarHBondContact SG-CA 2.97Å; C1101-C1114 WeakPolarHBondContact SG-CB 3.27Å; C1101-C1114 CovalentContact SG-SG 2.04Å; C1101-C1114 PolarHBondContact SG-SG 3.06Å
1102	S	63.3	Low	68.3	Low	96 Å²	96	87 Å²	87	67%	0.671	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-72.8	-11.2	174.9	56.9	0	0	0	0	114.1	F1100	F1100-S1102 PolarHBondContact O-N 2.66Å; F1100-S1102 VanDerWaalsContact O-N 3.11Å
1103	R	69.1	Low	68.6	Low	151 Å²	151	88.7 Å²	88.7	57%	0.57	43%	0.429	S	S	*	.	S	Bend	trans	-99.2	121.4	-178.8	-65.2	-179.9	178.3	-167.9	-1.5	110.6	F1100 C1101 Y1105 F1106 R1107	F1100-R1103 PolarHBondContact O-N 3.03Å; C1101-R1103 PolarHBondContact O-N 3.16Å; R1103-Y1105 VanDerWaalsContact C-N 3.32Å; R1103-Y1105 PolarHBondContact O-N 3.12Å; R1103-Y1105 VanDerWaalsContact O-N 3.12Å; R1103-F1106 HydrophobicContact CB-CD2 4.03Å; R1103-F1106 PolarHBondContact O-N 2.87Å; R1103-F1106 VanDerWaalsContact O-N 3.09Å; R1103-R1107 PolarHBondContact O-N 3.43Å; R1103-R1107 VanDerWaalsContact O-N 3.16Å
1104	A	56.7	Low	68.5	Low	78 Å²	78	85 Å²	85	65%	0.645	41%	0.405	S	S	*	.	H	α-helix	trans	-49.6	-43.5	-170	0	0	0	0	0	115	F1106 R1107 Q1108	A1104-F1106 PolarHBondContact O-N 2.03Å; A1104-R1107 CarbonylContact O-C 3.57Å; A1104-R1107 WeakPolarHBondContact O-CB 3.23Å; A1104-R1107 PolarHBondContact O-N 3.42Å; A1104-R1107 VanDerWaalsContact O-N 3.16Å; A1104-Q1108 PolarHBondContact O-N 2.98Å
1105	Y	68.6	Low	68.5	Low	139 Å²	139	87.5 Å²	87.5	55%	0.545	41%	0.414	S	S	.	.	H	α-helix	trans	-56	-48.2	179	179.3	-99.8	0	0	0	113.1	R1103 Q1108 M1109	R1103-Y1105 VanDerWaalsContact C-N 3.32Å; R1103-Y1105 PolarHBondContact O-N 3.12Å; R1103-Y1105 VanDerWaalsContact O-N 3.12Å; Y1105-Q1108 PolarHBondContact O-N 3.14Å; Y1105-M1109 HydrophobicContact CE2-CE 4.13Å; Y1105-M1109 PolarHBondContact O-N 2.78Å; Y1105-M1109 WeakPolarHBondContact OH-CE 3.06Å
1106	F	64	Low	68.2	Low	47 Å²	47	90.7 Å²	90.7	21%	0.206	45%	0.449	C	S	.	.	H	α-helix	trans	-71.8	-33	178.3	-63.7	-73.5	0	0	0	111.8	V1095 F1100 R1103 A1104 Q1108 M1109 C1110	V1095-F1106 HydrophobicContact CG1-CB 3.74Å; V1095-F1106 HydrophobicContact CG1-CD1 4.43Å; V1095-F1106 HydrophobicContact CG1-CG 4.27Å; V1095-F1106 HydrophobicContact CG2-CD1 4.1Å; F1100-F1106 HydrophobicContact CB-CD2 4.23Å; R1103-F1106 HydrophobicContact CB-CD2 4.03Å; R1103-F1106 PolarHBondContact O-N 2.87Å; R1103-F1106 VanDerWaalsContact O-N 3.09Å; A1104-F1106 PolarHBondContact O-N 2.03Å; F1106-Q1108 PolarHBondContact O-N 3.16Å; F1106-M1109 PolarHBondContact O-N 3.49Å; F1106-C1110 WeakPolarHBondContact O-CB 3.35Å; F1106-C1110 PolarHBondContact O-N 2.96Å
1107	R	63.6	Low	67.3	Low	123 Å²	123	95.3 Å²	95.3	46%	0.464	47%	0.468	S	S	.	.	H	α-helix	trans	-67.6	-18.1	173.6	-143	-178.6	-150.4	-171.3	13.6	113.2	R1103 A1104 C1111 C1114 H1117	R1103-R1107 PolarHBondContact O-N 3.43Å; R1103-R1107 VanDerWaalsContact O-N 3.16Å; A1104-R1107 CarbonylContact O-C 3.57Å; A1104-R1107 WeakPolarHBondContact O-CB 3.23Å; A1104-R1107 PolarHBondContact O-N 3.42Å; A1104-R1107 VanDerWaalsContact O-N 3.16Å; R1107-C1111 WeakPolarHBondContact O-CA 3.43Å; R1107-C1111 WeakPolarHBondContact O-CB 3.35Å; R1107-C1111 PolarHBondContact O-N 3.02Å; R1107-C1114 HydrophobicContact CG-CB 4Å; R1107-H1117 PolarHBondContact NH2-O 2.81Å
1108	Q	65.3	Low	67.1	Low	148 Å²	148	92 Å²	92	69%	0.692	46%	0.456	S	S	*	.	H	α-helix	trans	-82.3	-44.6	173.2	-105.2	175.8	-26.7	0	0	112.8	A1104 Y1105 F1106	A1104-Q1108 PolarHBondContact O-N 2.98Å; Y1105-Q1108 PolarHBondContact O-N 3.14Å; F1106-Q1108 PolarHBondContact O-N 3.16Å
1109	M	65.2	Low	66.9	Low	79 Å²	79	90.2 Å²	90.2	39%	0.389	45%	0.451	S	S	.	.	H	α-helix	trans	-79.4	-28.6	-179.7	-67.4	-165.5	-177.1	0	0	114.2	D1085 V1086 Y1105 F1106	D1085-M1109 WeakPolarHBondContact CA-O 3.41Å; V1086-M1109 PolarHBondContact N-O 3.32Å; V1086-M1109 VanDerWaalsContact N-O 3.13Å; Y1105-M1109 HydrophobicContact CE2-CE 4.13Å; Y1105-M1109 PolarHBondContact O-N 2.78Å; Y1105-M1109 WeakPolarHBondContact OH-CE 3.06Å; F1106-M1109 PolarHBondContact O-N 3.49Å
1110	C	69.8	Low	66.7	Low	0 Å²	0	85.3 Å²	85.3	0%	0	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	41.1	-178.1	-62.3	0	0	0	0	111	D1085 C1092 F1106 K1112 T1113 C1114	D1085-C1110 VanDerWaalsContact OD1-CA 3.28Å; D1085-C1110 WeakPolarHBondContact OD1-CA 3.23Å; C1092-C1110 WeakPolarHBondContact CA-SG 3.4Å; C1092-C1110 HydrophobicContact CB-CB 3.66Å; C1092-C1110 WeakPolarHBondContact CB-SG 3.39Å; C1092-C1110 VanDerWaalsContact SG-CA 3.57Å; C1092-C1110 WeakPolarHBondContact SG-CB 3.03Å; C1092-C1110 CovalentContact SG-SG 2.04Å; C1092-C1110 PolarHBondContact SG-SG 3.08Å; F1106-C1110 WeakPolarHBondContact O-CB 3.35Å; F1106-C1110 PolarHBondContact O-N 2.96Å; C1110-K1112 PolarHBondContact O-N 3.32Å; C1110-T1113 PolarHBondContact O-N 3.37Å; C1110-C1114 WeakPolarHBondContact O-CB 3.44Å; C1110-C1114 PolarHBondContact O-N 2.97Å
1111	C	71.9	Confident	66.3	Low	26 Å²	26	85.4 Å²	85.4	18%	0.176	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-43.3	-173.3	-157.6	0	0	0	0	115	C1083 D1085 R1107 Q1115	C1083-C1111 HydrophobicContact CB-CB 4.01Å; C1083-C1111 WeakPolarHBondContact CB-SG 3.47Å; C1083-C1111 WeakPolarHBondContact SG-CB 2.93Å; C1083-C1111 CovalentContact SG-SG 2.04Å; C1083-C1111 PolarHBondContact SG-SG 3.21Å; D1085-C1111 PolarHBondContact OD1-N 3.21Å; R1107-C1111 WeakPolarHBondContact O-CA 3.43Å; R1107-C1111 WeakPolarHBondContact O-CB 3.35Å; R1107-C1111 PolarHBondContact O-N 3.02Å; C1111-Q1115 PolarHBondContact O-N 3.35Å
1112	K	72.8	Confident	66.1	Low	143 Å²	143	90.6 Å²	90.6	62%	0.622	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-33.3	178.9	-166.9	164.6	-170.2	161.1	0	112.3	D1085 C1110 C1114	D1085-K1112 WeakPolarHBondContact OD1-CA 3.39Å; D1085-K1112 WeakPolarHBondContact OD1-CB 3.03Å; D1085-K1112 PolarHBondContact OD1-N 3.47Å; C1110-K1112 PolarHBondContact O-N 3.32Å; K1112-C1114 VanDerWaalsContact C-N 3.3Å
1113	T	73.5	Confident	66.3	Low	42 Å²	42	90.2 Å²	90.2	26%	0.258	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.1	173.4	-63	0	0	0	0	112.7	D1085 C1092 L1096 C1110	D1085-T1113 PolarHBondContact OD1-N 2.04Å; D1085-T1113 WeakPolarHBondContact OD2-CB 3.42Å; D1085-T1113 PolarHBondContact OD2-N 2.88Å; D1085-T1113 VanDerWaalsContact OD2-N 3.15Å; D1085-T1113 PolarHBondContact OD2-OG1 3.19Å; C1092-T1113 HydrophobicContact CB-CG2 4Å; C1092-T1113 WeakPolarHBondContact O-CG2 3.5Å; L1096-T1113 HydrophobicContact CB-CG2 4.19Å; C1110-T1113 PolarHBondContact O-N 3.37Å
1114	C	68.8	Low	66.1	Low	1 Å²	1	85.9 Å²	85.9	1%	0.007	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	19.4	178	-72.3	0	0	0	0	114	C1101 R1107 C1110 K1112 G1116	C1101-C1114 WeakPolarHBondContact CA-SG 3.44Å; C1101-C1114 HydrophobicContact CB-CB 3.49Å; C1101-C1114 VanDerWaalsContact CB-CB 3.49Å; C1101-C1114 WeakPolarHBondContact CB-SG 3.33Å; C1101-C1114 WeakPolarHBondContact SG-CA 2.97Å; C1101-C1114 WeakPolarHBondContact SG-CB 3.27Å; C1101-C1114 CovalentContact SG-SG 2.04Å; C1101-C1114 PolarHBondContact SG-SG 3.06Å; R1107-C1114 HydrophobicContact CG-CB 4Å; C1110-C1114 WeakPolarHBondContact O-CB 3.44Å; C1110-C1114 PolarHBondContact O-N 2.97Å; K1112-C1114 VanDerWaalsContact C-N 3.3Å; C1114-G1116 PolarHBondContact O-N 3.39Å
1115	Q	71.1	Confident	66.8	Low	140 Å²	140	86.5 Å²	86.5	65%	0.654	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	103.3	-178.3	-152.7	171.1	8.6	0	0	110.1	C1111	C1111-Q1115 PolarHBondContact O-N 3.35Å
1116	G	62.7	Low	66.7	Low	75 Å²	75	82.1 Å²	82.1	77%	0.773	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	110	7.5	-177.5	0	0	0	0	0	115.7	C1114	C1114-G1116 PolarHBondContact O-N 3.39Å
1117	H	51.9	Low	66.9	Low	161 Å²	161	85.3 Å²	85.3	75%	0.745	44%	0.435	S	S	*	.			trans	-131.9	0	174.4	-69.3	-60.7	0	0	0	111.8	L1096 R1107	L1096-H1117 HydrophobicContact CD1-CB 4.3Å; L1096-H1117 VanDerWaalsContact CD1-CD2 3.44Å; L1096-H1117 WeakPolarHBondContact CD1-CD2 3.4Å; R1107-H1117 PolarHBondContact NH2-O 2.81Å

Retrieved 1,117 of 1,117 residues in 313.4 ms (Link to these results)

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