A0A077Z1Z5_TRITR Loading...

Peroxidasin

AlphaFold DB , UniProt , Accession A0A077Z1Z5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,379 aa.

						>A0A077Z1Z5_TRITR|A0A077Z1Z5
MAQRWSLLYTTALSLLIFFNRSAGQEDNLADGMEKYANFFCPPGCACRSKKVVCSLKPLAAIPKVTSDTAYLDLSSSRFKSIGKKDFQGLSELTALHLSFNGLAYIEDGTFEDLANLKMLNLSHNSLTTIHELTLKGAVELENLFLNDNELRTVHPDTFASTPKLRQLDIRNNDHLDPMSLWRALRKARELRVASMDERMVHCDCECIALILEVVNQNRWLKIIPDAATHASSTDGISVYEVASRSHCFAGSAKSAVTEKNALLLECQWDTPLESGDQTIIWLKDGQRIDVDNSSIYRVVDDRRLLIFDQGVDPFGEIPKSSRYGCTIKDLKGEAKSRVKRTNGKWGHHGSDKASVKIIEPPVNVDADIGESVTFTCRVSGYPRPRVQWFLNGALIRETGHVRVTAGGQILLIQVTGLKDSGVYTCVAENTISQASSTAFLQVRSAPQFKIRPQNVAAVEGSKVSLECEATGYPLPSIVWTRNGRTLPLSRRIAVDFSGTVLTISSVAPDDAGEYTCFAANRLGRIQASANVYLRQNMPPKFQQSPSSLTITAGGTASFPCRVTGNPTPRITWLFNGNPIRVVRGHFEVTPQGTLYVHGVTPQDAGFYTCQGTNDVGAISVDVELEVVGLVSPTGRHGQKPTIDADLIHKSVQQATTEVDRAINWTRQRLYSNEPKSAGELMALIRYPGPAALEQARAREIYEQTVSLVQSHVVRGLHFNLSGQFEYPHVLSAAHVALISELTGCNIHREMPTCSDMCFHRKYRSYDGSCNNFAHPLWGSSLTSFKRLLPPIYENGFDQPIGWRKGLLYNGFPKPNPRVVSQMLISTTKVTDDREYSHMLMQWGQFLDHDLTLTVNAPSVLQFQTGVDCKRTCQNRPPCFNIEIPPNDHRIKYGLCMEFERSSAICGSGDTSVLFDRVQHREQLNVLTSYIDASSVYGSEEADSLNLRDLFSDHGLLKFDTTSHKQKPYLPFNSDIIGEAKSLFCRNLPMDCRRNSSVPHSVRCLMAGDYRANEQAGLLAMHTLWMRQHNRLAAQMLRVNPHWDGEKIYQETRKIVGAQMQHITFEHWLPKVLGPIGMKKLGEYKGYDPSVDASMANAFATAAFRFGHTLIQPVLLRLNGSFQQDSFGHLPLGEAFFAPEKVLHEGGIDPLLRGMFAGPAKLPKAFEYLNAELTEKLFNKAHDVALDLATMNIQRGRDHALPGYLEYRKWCNLSAPEDFDGLRDDIPEDELRHKLRVLYGHPANIDLWVGGVLEKTVAGARMGPTFMCIIVDQFRRLRDGDRFWYENPGVFAPEQLQEIKKTTLARVLCHNGDEIDRVQPDVFVNMNSFDPRAYTLCDELPPDFNLKMWQQCCEDGCSPQLKFEEEGNVEEFGNPESNR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	43.9	Very low	226 Å²	226	148.6 Å²	148.6	100%	1.113	74%	0.742	S	S	*	*				0	-24.3	0	-78.3	-172.7	-109	0	0	113.6	Q3	M1-Q3 PolarHBondContact O-N 2.64Å
2	A	32.8	Very low	44.1	Very low	104 Å²	104	141.6 Å²	141.6	86%	0.86	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	0.8	171.7	0	0	0	0	0	116.5
3	Q	39	Very low	44.3	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.822	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-3.1	-178.5	-85.6	176.1	-27.6	0	0	115	M1	M1-Q3 PolarHBondContact O-N 2.64Å
4	R	44.8	Very low	44.5	Very low	226 Å²	226	135.1 Å²	135.1	85%	0.853	70%	0.702	S	S	*	*	S	Bend	trans	-95.8	-5.8	-178.4	-87.6	-174.5	174.4	-172.7	-2	115.2
5	W	43.9	Very low	44.5	Very low	211 Å²	211	134.9 Å²	134.9	80%	0.799	70%	0.701	S	S	*	*	S	Bend	trans	-94.9	-8.2	178.3	-83.3	85.8	0	0	0	114.9
6	S	46.8	Very low	44.3	Very low	80 Å²	80	133.2 Å²	133.2	56%	0.559	69%	0.693	S	S	*	*	S	Bend	trans	-84.9	-9.5	-179.6	73.3	0	0	0	0	115.6
7	L	46.1	Very low	44.6	Very low	137 Å²	137	133.4 Å²	133.4	72%	0.717	69%	0.693	S	S	*	*	S	Bend	trans	-89.2	-15.7	-177.3	-122.5	83.6	0	0	0	114.5
8	L	47.1	Very low	44.4	Very low	125 Å²	125	136.2 Å²	136.2	65%	0.654	70%	0.7	S	S	*	*	S	Bend	trans	-85.1	-12.4	177.1	-84.2	156.1	0	0	0	113
9	Y	46.6	Very low	44	Very low	166 Å²	166	139.1 Å²	139.1	65%	0.651	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-19.4	-178.2	-115.8	-92.5	0	0	0	113.9
10	T	49.3	Very low	43.6	Very low	91 Å²	91	139.9 Å²	139.9	56%	0.558	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-23	-175.4	44.1	0	0	0	0	114	S14	T10-S14 PolarHBondContact O-OG 2.97Å
11	T	46.3	Very low	43.3	Very low	93 Å²	93	144.7 Å²	144.7	57%	0.571	72%	0.722	S	S	*	*	H	α-helix	trans	-82.4	-25	178.2	38.6	0	0	0	0	113.7
12	A	46.1	Very low	43	Very low	64 Å²	64	139.4 Å²	139.4	53%	0.529	71%	0.708	S	S	.	*	H	α-helix	trans	-74.2	-24.8	175.7	0	0	0	0	0	113.2
13	L	46.9	Very low	43.1	Very low	115 Å²	115	139.7 Å²	139.7	60%	0.602	71%	0.71	S	S	*	*	H	α-helix	trans	-79.9	-25.2	-177	-147.3	75.2	0	0	0	113.1
14	S	46.7	Very low	42.7	Very low	77 Å²	77	134.9 Å²	134.9	54%	0.538	71%	0.708	S	S	.	*	H	α-helix	trans	-78.8	-25.5	-177.9	-48.5	0	0	0	0	113.7	T10 L16	T10-S14 PolarHBondContact O-OG 2.97Å; S14-L16 VanDerWaalsContact C-N 3.31Å
15	L	44.5	Very low	42.3	Very low	132 Å²	132	133.2 Å²	133.2	69%	0.691	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-18.1	178.1	-86.3	155.4	0	0	0	113	I17	L15-I17 VanDerWaalsContact C-N 3.32Å
16	L	41.5	Very low	41.7	Very low	108 Å²	108	132.4 Å²	132.4	57%	0.565	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-10.4	177.4	-87.3	153	0	0	0	113.9	S14 Y36	S14-L16 VanDerWaalsContact C-N 3.31Å; L16-Y36 WeakPolarHBondContact CD1-OH 3.37Å
17	I	49.4	Very low	41	Very low	137 Å²	137	135.4 Å²	135.4	70%	0.703	72%	0.724	S	S	*	*	S	Bend	trans	-94	-15.3	-176.5	-61.5	176.2	0	0	0	112.4	L15	L15-I17 VanDerWaalsContact C-N 3.32Å
18	F	39.8	Very low	41	Very low	184 Å²	184	136 Å²	136	81%	0.807	73%	0.728	S	S	*	*	S	Bend	trans	-94.6	-9.5	-171.8	-107.1	-85.3	0	0	0	116.8
19	F	38.2	Very low	40.5	Very low	191 Å²	191	137.8 Å²	137.8	84%	0.838	74%	0.737	S	S	*	*	S	Bend	trans	-106.2	16.3	-170.1	-94.2	-80.1	0	0	0	116.6
20	N	35.5	Very low	40.1	Very low	154 Å²	154	133.7 Å²	133.7	82%	0.824	74%	0.738	S	S	*	*			trans	-122.1	80.4	-175.2	-143.1	-3.1	0	0	0	112.4
21	R	36.5	Very low	39.9	Very low	242 Å²	242	135.1 Å²	135.1	91%	0.913	74%	0.742	S	S	*	*			trans	-176.4	88	161.5	-107.2	176.3	-171.7	-156.7	2.5	111.9
22	S	35.8	Very low	39.7	Very low	115 Å²	115	133.3 Å²	133.3	80%	0.804	74%	0.742	S	S	*	*			trans	151.7	85.4	151.9	63.1	0	0	0	0	108.1
23	A	34.3	Very low	39.5	Very low	110 Å²	110	137.2 Å²	137.2	91%	0.909	75%	0.751	S	S	*	*				69	108.7	91.8	0	0	0	0	0	113.6
24	G	29.8	Very low	39.4	Very low	75 Å²	75	134.7 Å²	134.7	77%	0.773	74%	0.736	S	S	*	*			trans	117.4	50.5	152.4	0	0	0	0	0	117.9
25	Q	36.8	Very low	39.5	Very low	191 Å²	191	139.4 Å²	139.4	89%	0.893	75%	0.747	S	S	*	*			trans	-168.4	96.9	154.9	-114	166.9	-27.8	0	0	108.6	D27	Q25-D27 PolarHBondContact O-N 2.92Å; Q25-D27 VanDerWaalsContact O-N 3.16Å
26	E	31.2	Very low	39.4	Very low	194 Å²	194	140 Å²	140	91%	0.907	74%	0.741	S	S	*	*			trans	-78.6	89.5	172.2	-74.9	-176.6	157.9	0	0	108.3
27	D	32.8	Very low	39.7	Very low	143 Å²	143	136.4 Å²	136.4	77%	0.765	73%	0.727	S	S	*	*	S	Bend	trans	178	97.7	161.1	-89.5	-27.3	0	0	0	104.1	Q25	Q25-D27 PolarHBondContact O-N 2.92Å; Q25-D27 VanDerWaalsContact O-N 3.16Å
28	N	45.6	Very low	39.7	Very low	149 Å²	149	134.8 Å²	134.8	80%	0.797	72%	0.72	S	S	*	*			trans	152.1	8.5	166.5	-78.7	-30.8	0	0	0	115.6	A30	N28-A30 VanDerWaalsContact C-N 3.28Å; N28-A30 PolarHBondContact O-N 3.09Å
29	L	36.9	Very low	40.3	Very low	162 Å²	162	133.4 Å²	133.4	85%	0.848	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-4.7	177.8	-108.2	130.1	0	0	0	115.3
30	A	38.6	Very low	41.5	Very low	80 Å²	80	131.6 Å²	131.6	66%	0.661	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-31.3	178.2	0	0	0	0	0	113.6	N28 G32 M33	N28-A30 VanDerWaalsContact C-N 3.28Å; N28-A30 PolarHBondContact O-N 3.09Å; A30-G32 VanDerWaalsContact C-N 3.32Å; A30-G32 PolarHBondContact O-N 3.05Å; A30-M33 PolarHBondContact O-N 2.98Å
31	D	45.1	Very low	43.2	Very low	122 Å²	122	125.8 Å²	125.8	65%	0.652	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-18.9	-174.8	-92.2	-4.3	0	0	0	114
32	G	42.5	Very low	44.9	Very low	54 Å²	54	114.5 Å²	114.5	56%	0.557	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-27.9	177.7	0	0	0	0	0	114.2	A30	A30-G32 VanDerWaalsContact C-N 3.32Å; A30-G32 PolarHBondContact O-N 3.05Å
33	M	41.7	Very low	46.5	Very low	147 Å²	147	113.8 Å²	113.8	72%	0.724	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-22.1	-178.8	-66.1	-168.5	72.3	0	0	112.6	A30 K35 Y36 A37	A30-M33 PolarHBondContact O-N 2.98Å; M33-K35 PolarHBondContact O-N 2.63Å; M33-Y36 PolarHBondContact O-N 3.38Å; M33-Y36 VanDerWaalsContact O-N 3.16Å; M33-A37 PolarHBondContact O-N 3.14Å
34	E	44.7	Very low	48.3	Very low	61 Å²	61	111 Å²	111	29%	0.285	61%	0.609	S	S	.	*	H	α-helix	trans	-63	-28.4	179.3	-109.1	-170.4	169.8	0	0	113.2	R48	E34-R48 VanDerWaalsContact OE1-CG 3.29Å; E34-R48 WeakPolarHBondContact OE1-CG 3.38Å; E34-R48 IonicContact OE1-CZ 3.36Å; E34-R48 IonicContact OE1-NE 2.69Å; E34-R48 PolarHBondContact OE1-NE 2.72Å; E34-R48 IonicContact OE1-NH2 3.46Å; E34-R48 PolarHBondContact OE1-NH2 2.92Å; E34-R48 IonicContact OE2-NH2 3.68Å
35	K	47.9	Very low	50.7	Low	177 Å²	177	108.5 Å²	108.5	77%	0.77	58%	0.579	S	S	*	*	H	α-helix	trans	-75.1	-24.5	176.6	-102.5	179.6	178.7	173.8	0	114.4	M33	M33-K35 PolarHBondContact O-N 2.63Å
36	Y	43.1	Very low	52.8	Low	143 Å²	143	102.6 Å²	102.6	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-89.9	-28.5	178.1	-88.6	-84.6	0	0	0	113	L16 M33 N38 F39	L16-Y36 WeakPolarHBondContact CD1-OH 3.37Å; M33-Y36 PolarHBondContact O-N 3.38Å; M33-Y36 VanDerWaalsContact O-N 3.16Å; Y36-N38 PolarHBondContact O-N 2.77Å; Y36-F39 PolarHBondContact O-N 3.2Å
37	A	47.5	Very low	55.1	Low	33 Å²	33	94.1 Å²	94.1	27%	0.273	53%	0.526	S	S	.	.	H	α-helix	trans	-62.5	-27	177.4	0	0	0	0	0	113.4	M33 F39	M33-A37 PolarHBondContact O-N 3.14Å; A37-F39 VanDerWaalsContact C-N 3.34Å; A37-F39 PolarHBondContact O-N 3.1Å
38	N	48.8	Very low	57	Low	104 Å²	104	95.7 Å²	95.7	56%	0.556	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-72.8	-18.3	-179.7	-82.5	-26	0	0	0	115	Y36 F40 C47	Y36-N38 PolarHBondContact O-N 2.77Å; N38-F40 VanDerWaalsContact C-N 3.33Å; N38-F40 PolarHBondContact O-N 2.78Å; N38-C47 PolarHBondContact OD1-O 2.81Å
39	F	53.8	Low	58.6	Low	154 Å²	154	92.7 Å²	92.7	68%	0.675	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-75.3	-20.5	-176	-111.8	-84.6	0	0	0	114.2	Y36 A37	Y36-F39 PolarHBondContact O-N 3.2Å; A37-F39 VanDerWaalsContact C-N 3.34Å; A37-F39 PolarHBondContact O-N 3.1Å
40	F	62.7	Low	60.8	Low	154 Å²	154	89.5 Å²	89.5	68%	0.675	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-110.2	8.3	-178.4	-71.4	-83.5	0	0	0	113.4	N38 P42 T66	N38-F40 VanDerWaalsContact C-N 3.33Å; N38-F40 PolarHBondContact O-N 2.78Å; F40-P42 WeakPolarHBondContact O-CD 3.3Å; F40-T66 HydrophobicContact CB-CG2 4.25Å
41	C	70.4	Confident	63.1	Low	31 Å²	31	90.3 Å²	90.3	21%	0.209	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-66.9	126.6	-179.5	-164.9	0	0	0	0	111.3	C45 C47	C41-C45 PolarHBondContact SG-O 3.01Å; C41-C47 WeakPolarHBondContact CA-SG 3.08Å; C41-C47 HydrophobicContact CB-CB 3.61Å; C41-C47 WeakPolarHBondContact CB-SG 3.39Å; C41-C47 WeakPolarHBondContact SG-CB 3.45Å; C41-C47 PolarHBondContact SG-N 3.37Å; C41-C47 CovalentContact SG-SG 2.03Å; C41-C47 PolarHBondContact SG-SG 3.17Å
42	P	72.4	Confident	65	Low	5 Å²	5	84.8 Å²	84.8	3%	0.032	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-60	142.1	179.9	-21.6	31	0	0	0	111.7	F40 G44 C45 A61 K64 V65	F40-P42 WeakPolarHBondContact O-CD 3.3Å; P42-G44 PolarHBondContact O-N 3.31Å; P42-C45 HydrophobicContact CB-CB 4.4Å; P42-C45 WeakPolarHBondContact O-CB 3.23Å; P42-C45 PolarHBondContact O-N 3.49Å; P42-A61 HydrophobicContact CB-CB 3.96Å; P42-K64 HydrophobicContact CB-CB 3.95Å; P42-K64 HydrophobicContact CG-CB 3.83Å; P42-V65 HydrophobicContact CG-CG2 3.86Å
43	P	69.9	Low	67.1	Low	101 Å²	101	84.6 Å²	84.6	66%	0.656	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	130.6	174	-21.8	31.6	0	0	0	111.1
44	G	73.1	Confident	68.8	Low	50 Å²	50	77.8 Å²	77.8	52%	0.515	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-0.8	-176.1	0	0	0	0	0	114.7	P42 S55	P42-G44 PolarHBondContact O-N 3.31Å; G44-S55 PolarHBondContact O-N 2.87Å
45	C	80.1	Confident	69.8	Low	23 Å²	23	78.4 Å²	78.4	16%	0.155	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	153	175.8	-49.5	0	0	0	0	111.9	C41 P42 V52 V53 C54	C41-C45 PolarHBondContact SG-O 3.01Å; P42-C45 HydrophobicContact CB-CB 4.4Å; P42-C45 WeakPolarHBondContact O-CB 3.23Å; P42-C45 PolarHBondContact O-N 3.49Å; C45-V52 HydrophobicContact CB-CG1 3.95Å; C45-V53 CarbonylContact C-O 3.48Å; C45-V53 VanDerWaalsContact CA-O 3.24Å; C45-V53 WeakPolarHBondContact CA-O 3.33Å; C45-C54 HydrophobicContact CB-CB 3.97Å; C45-C54 WeakPolarHBondContact CB-SG 3.42Å; C45-C54 WeakPolarHBondContact SG-CB 3.34Å; C45-C54 CovalentContact SG-SG 2.03Å; C45-C54 PolarHBondContact SG-SG 2.91Å
46	A	79.3	Confident	70.3	Confident	68 Å²	68	75.4 Å²	75.4	56%	0.562	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.5	166.3	0	0	0	0	0	108.1	V53	A46-V53 PolarHBondContact N-O 3.44Å; A46-V53 PolarHBondContact O-N 2.85Å
47	C	79.4	Confident	70.9	Confident	16 Å²	16	77.5 Å²	77.5	11%	0.108	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136	-179.3	-52.2	0	0	0	0	109.3	N38 C41 K51 V52	N38-C47 PolarHBondContact OD1-O 2.81Å; C41-C47 WeakPolarHBondContact CA-SG 3.08Å; C41-C47 HydrophobicContact CB-CB 3.61Å; C41-C47 WeakPolarHBondContact CB-SG 3.39Å; C41-C47 WeakPolarHBondContact SG-CB 3.45Å; C41-C47 PolarHBondContact SG-N 3.37Å; C41-C47 CovalentContact SG-SG 2.03Å; C41-C47 PolarHBondContact SG-SG 3.17Å; C47-K51 CarbonylContact C-O 3.51Å; C47-K51 WeakPolarHBondContact CA-O 3.42Å; C47-V52 HydrophobicContact CB-CG2 4.27Å
48	R	73	Confident	71.5	Confident	176 Å²	176	76.1 Å²	76.1	66%	0.664	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	105.7	176	-159.2	177.1	-174.6	-169.1	0.5	108.2	E34 K50 K51	E34-R48 VanDerWaalsContact OE1-CG 3.29Å; E34-R48 WeakPolarHBondContact OE1-CG 3.38Å; E34-R48 IonicContact OE1-CZ 3.36Å; E34-R48 IonicContact OE1-NE 2.69Å; E34-R48 PolarHBondContact OE1-NE 2.72Å; E34-R48 IonicContact OE1-NH2 3.46Å; E34-R48 PolarHBondContact OE1-NH2 2.92Å; E34-R48 IonicContact OE2-NH2 3.68Å; R48-K50 PolarHBondContact O-N 2.9Å; R48-K51 PolarHBondContact N-O 2.85Å; R48-K51 WeakPolarHBondContact O-CB 3.4Å; R48-K51 PolarHBondContact O-N 2.82Å
49	S	79	Confident	72.2	Confident	85 Å²	85	73.2 Å²	73.2	59%	0.594	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-130.4	-169.6	-175	0	0	0	0	110.5	K51	S49-K51 PolarHBondContact O-N 2.8Å
50	K	84.3	Confident	72.6	Confident	96 Å²	96	70.2 Å²	70.2	42%	0.417	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	9	177.6	-60.5	-171.6	169	-165.3	0	114.6	R48 D68 A70 Y71	R48-K50 PolarHBondContact O-N 2.9Å; K50-D68 VanDerWaalsContact CD-O 3.3Å; K50-D68 WeakPolarHBondContact CD-O 3.41Å; K50-D68 WeakPolarHBondContact CG-O 3.35Å; K50-A70 HydrophobicContact CB-CB 3.71Å; K50-A70 HydrophobicContact CD-CB 4.05Å; K50-A70 PolarHBondContact O-N 2.74Å; K50-Y71 PolarHBondContact O-N 3.02Å
51	K	86.6	Confident	72.4	Confident	97 Å²	97	63.4 Å²	63.4	42%	0.422	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.3	179.1	-180	167.1	-174.3	173.4	0	110.5	C47 R48 S49 V53 Y71	C47-K51 CarbonylContact C-O 3.51Å; C47-K51 WeakPolarHBondContact CA-O 3.42Å; R48-K51 PolarHBondContact N-O 2.85Å; R48-K51 WeakPolarHBondContact O-CB 3.4Å; R48-K51 PolarHBondContact O-N 2.82Å; S49-K51 PolarHBondContact O-N 2.8Å; K51-V53 HydrophobicContact CG-CG2 4.32Å; K51-Y71 CarbonylContact C-O 3.31Å; K51-Y71 WeakPolarHBondContact CA-O 3.35Å; K51-Y71 HydrophobicContact CB-CD1 4.48Å; K51-Y71 HydrophobicContact CD-CD1 3.91Å; K51-Y71 HydrophobicContact CD-CE1 4.19Å; K51-Y71 HydrophobicContact CD-CG 4.26Å; K51-Y71 HydrophobicContact CG-CD1 3.51Å; K51-Y71 HydrophobicContact CG-CE1 4.15Å; K51-Y71 HydrophobicContact CG-CG 4Å
52	V	85.6	Confident	72.1	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.03	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.6	177.7	-178.8	0	0	0	0	109.2	C45 C47 V65 T69 Y71 L72 D73	C45-V52 HydrophobicContact CB-CG1 3.95Å; C47-V52 HydrophobicContact CB-CG2 4.27Å; V52-V65 HydrophobicContact CG1-CG2 4.37Å; V52-V65 HydrophobicContact CG2-CG1 4.37Å; V52-T69 HydrophobicContact CB-CG2 4.07Å; V52-T69 HydrophobicContact CG2-CG2 3.72Å; V52-Y71 PolarHBondContact N-O 3.43Å; V52-L72 HydrophobicContact CB-CD1 3.84Å; V52-L72 HydrophobicContact CG1-CD1 3.86Å; V52-L72 CarbonylContact O-C 3.06Å; V52-L72 WeakPolarHBondContact O-CA 3.48Å; V52-D73 PolarHBondContact O-N 2.78Å
53	V	86.2	Confident	71.5	Confident	50 Å²	50	67.7 Å²	67.7	30%	0.303	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.1	177.9	-176.8	0	0	0	0	108.2	C45 A46 K51 Y71 D73	C45-V53 CarbonylContact C-O 3.48Å; C45-V53 VanDerWaalsContact CA-O 3.24Å; C45-V53 WeakPolarHBondContact CA-O 3.33Å; A46-V53 PolarHBondContact N-O 3.44Å; A46-V53 PolarHBondContact O-N 2.85Å; K51-V53 HydrophobicContact CG-CG2 4.32Å; V53-Y71 HydrophobicContact CG2-CE1 4.47Å; V53-D73 CarbonylContact C-O 3.47Å; V53-D73 WeakPolarHBondContact CA-O 3.05Å; V53-D73 HydrophobicContact CB-CB 4.44Å; V53-D73 HydrophobicContact CG1-CB 4.14Å; V53-D73 HydrophobicContact CG2-CB 4.19Å
54	C	77.9	Confident	71.1	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.027	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.4	-177.3	-57.8	0	0	0	0	111.3	C45 P58 D73 L74	C45-C54 HydrophobicContact CB-CB 3.97Å; C45-C54 WeakPolarHBondContact CB-SG 3.42Å; C45-C54 WeakPolarHBondContact SG-CB 3.34Å; C45-C54 CovalentContact SG-SG 2.03Å; C45-C54 PolarHBondContact SG-SG 2.91Å; C54-P58 HydrophobicContact CB-CB 3.46Å; C54-P58 VanDerWaalsContact CB-CB 3.46Å; C54-P58 HydrophobicContact CB-CG 4.32Å; C54-D73 PolarHBondContact N-O 3.15Å; C54-L74 HydrophobicContact CB-CD2 3.76Å
55	S	64.3	Low	71	Confident	75 Å²	75	67.1 Å²	67.1	52%	0.524	37%	0.369	S	S	.	.			trans	-115.3	134.3	177.4	62.8	0	0	0	0	110.2	G44	G44-S55 PolarHBondContact O-N 2.87Å
56	L	58.6	Low	70.6	Confident	113 Å²	113	68.8 Å²	68.8	59%	0.592	38%	0.378	S	S	*	.	S	Bend	trans	61.6	102.1	173.6	-62.4	157.9	0	0	0	115
57	K	56	Low	70.5	Confident	187 Å²	187	69.1 Å²	69.1	81%	0.813	38%	0.376	S	S	*	.	S	Bend	trans	63.1	59.9	174.8	-58.4	-173.3	176.6	-176.3	0	117.3
58	P	60.5	Low	70.7	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.032	39%	0.39	C	S	.	.			trans	-97.7	-10.9	-169.3	42	-40.6	0	0	0	115.9	C54 A60 A61 I62 L74 S77 F79	C54-P58 HydrophobicContact CB-CB 3.46Å; C54-P58 VanDerWaalsContact CB-CB 3.46Å; C54-P58 HydrophobicContact CB-CG 4.32Å; P58-A60 PolarHBondContact O-N 2.79Å; P58-A60 VanDerWaalsContact O-N 3.16Å; P58-A61 CarbonylContact O-C 3.32Å; P58-A61 VanDerWaalsContact O-CA 3.29Å; P58-A61 WeakPolarHBondContact O-CA 3.49Å; P58-A61 VanDerWaalsContact O-CB 3.27Å; P58-A61 WeakPolarHBondContact O-CB 3.21Å; P58-A61 PolarHBondContact O-N 2.78Å; P58-I62 PolarHBondContact O-N 2.88Å; P58-I62 VanDerWaalsContact O-N 3.1Å; P58-L74 HydrophobicContact CB-CD2 3.83Å; P58-L74 HydrophobicContact CG-CB 4.09Å; P58-L74 HydrophobicContact CG-CD2 3.87Å; P58-L74 HydrophobicContact CG-CG 4.44Å; P58-S77 WeakPolarHBondContact CD-OG 3.25Å; P58-S77 VanDerWaalsContact CG-CB 3.41Å; P58-S77 WeakPolarHBondContact CG-OG 3.33Å; P58-F79 HydrophobicContact CG-CE1 4.29Å
59	L	62.9	Low	71.3	Confident	42 Å²	42	63.5 Å²	63.5	22%	0.22	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-56.6	-38.4	-178.4	-84.9	163.2	0	0	0	111.4	A61 I62 P63 F79 D86	L59-A61 PolarHBondContact O-N 2.82Å; L59-I62 HydrophobicContact CD2-CD1 3.65Å; L59-I62 HydrophobicContact CG-CD1 4.44Å; L59-I62 PolarHBondContact O-N 3.36Å; L59-P63 WeakPolarHBondContact O-CD 3.25Å; L59-F79 HydrophobicContact CD1-CB 3.37Å; L59-F79 HydrophobicContact CD1-CD1 3.93Å; L59-F79 HydrophobicContact CD1-CD2 4.11Å; L59-F79 HydrophobicContact CD1-CG 3.56Å; L59-F79 HydrophobicContact CG-CB 4.45Å; L59-F79 HydrophobicContact CG-CD1 4.16Å; L59-F79 HydrophobicContact CG-CG 4.25Å; L59-D86 HydrophobicContact CD2-CB 3.61Å; L59-D86 VanDerWaalsContact CD2-CG 3.44Å
60	A	62.3	Low	71.7	Confident	91 Å²	91	60.4 Å²	60.4	75%	0.752	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-70.1	-15.3	173.7	0	0	0	0	0	114.4	P58 P63	P58-A60 PolarHBondContact O-N 2.79Å; P58-A60 VanDerWaalsContact O-N 3.16Å; A60-P63 WeakPolarHBondContact O-CD 3.03Å
61	A	59.1	Low	72.1	Confident	12 Å²	12	58.1 Å²	58.1	10%	0.099	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-89.6	-19.8	174.9	0	0	0	0	0	112.6	P42 P58 L59 P63 K64	P42-A61 HydrophobicContact CB-CB 3.96Å; P58-A61 CarbonylContact O-C 3.32Å; P58-A61 VanDerWaalsContact O-CA 3.29Å; P58-A61 WeakPolarHBondContact O-CA 3.49Å; P58-A61 VanDerWaalsContact O-CB 3.27Å; P58-A61 WeakPolarHBondContact O-CB 3.21Å; P58-A61 PolarHBondContact O-N 2.78Å; L59-A61 PolarHBondContact O-N 2.82Å; A61-P63 VanDerWaalsContact C-CD 3.4Å; A61-P63 VanDerWaalsContact C-N 3.35Å; A61-K64 WeakPolarHBondContact O-CB 3.49Å; A61-K64 PolarHBondContact O-N 2.77Å
62	I	63.1	Low	72.3	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.051	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57	-37.8	179.6	-54.6	177.9	0	0	0	113.7	P58 L59 K64 V65 L74 D86 F87 L90	P58-I62 PolarHBondContact O-N 2.88Å; P58-I62 VanDerWaalsContact O-N 3.1Å; L59-I62 HydrophobicContact CD2-CD1 3.65Å; L59-I62 HydrophobicContact CG-CD1 4.44Å; L59-I62 PolarHBondContact O-N 3.36Å; I62-K64 PolarHBondContact O-N 3.22Å; I62-V65 WeakPolarHBondContact O-CB 3.12Å; I62-V65 PolarHBondContact O-N 3.44Å; I62-L74 HydrophobicContact CD1-CD1 3.53Å; I62-L74 HydrophobicContact CG1-CD1 4.14Å; I62-D86 VanDerWaalsContact CD1-O 3.28Å; I62-D86 WeakPolarHBondContact CD1-O 3.31Å; I62-D86 WeakPolarHBondContact CG2-O 3.34Å; I62-F87 HydrophobicContact CD1-CD1 4.48Å; I62-F87 HydrophobicContact CD1-CE1 4.22Å; I62-L90 HydrophobicContact CG2-CD1 3.99Å
63	P	60.1	Low	72.5	Confident	115 Å²	115	54.7 Å²	54.7	75%	0.747	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-58.3	-13.4	175.5	-24.1	33.2	0	0	0	114.5	L59 A60 A61	L59-P63 WeakPolarHBondContact O-CD 3.25Å; A60-P63 WeakPolarHBondContact O-CD 3.03Å; A61-P63 VanDerWaalsContact C-CD 3.4Å; A61-P63 VanDerWaalsContact C-N 3.35Å
64	K	62.7	Low	72.6	Confident	127 Å²	127	52.3 Å²	52.3	55%	0.552	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-101.7	-8.5	176.2	-61.2	-176.6	178.6	-177.9	0	113.5	P42 A61 I62 T66	P42-K64 HydrophobicContact CB-CB 3.95Å; P42-K64 HydrophobicContact CG-CB 3.83Å; A61-K64 WeakPolarHBondContact O-CB 3.49Å; A61-K64 PolarHBondContact O-N 2.77Å; I62-K64 PolarHBondContact O-N 3.22Å; K64-T66 PolarHBondContact O-N 3.5Å
65	V	69.9	Low	73	Confident	13 Å²	13	53 Å²	53	8%	0.079	30%	0.304	C	S	.	.	S	Bend	trans	-69.5	127.6	173.3	179.9	0	0	0	0	107.2	P42 V52 I62 T69 L72 L90	P42-V65 HydrophobicContact CG-CG2 3.86Å; V52-V65 HydrophobicContact CG1-CG2 4.37Å; V52-V65 HydrophobicContact CG2-CG1 4.37Å; I62-V65 WeakPolarHBondContact O-CB 3.12Å; I62-V65 PolarHBondContact O-N 3.44Å; V65-T69 HydrophobicContact CG1-CG2 3.84Å; V65-T69 WeakPolarHBondContact CG1-OG1 3.49Å; V65-L72 HydrophobicContact CG1-CD1 4.36Å; V65-L72 HydrophobicContact CG2-CD1 4.29Å; V65-L90 HydrophobicContact CB-CD2 4.1Å; V65-L90 HydrophobicContact CG1-CD2 3.66Å
66	T	71.5	Confident	74	Confident	57 Å²	57	52.6 Å²	52.6	35%	0.35	30%	0.301	S	S	.	.			trans	-73.4	148.6	-174.8	52.4	0	0	0	0	110.7	F40 K64 D68 T69	F40-T66 HydrophobicContact CB-CG2 4.25Å; K64-T66 PolarHBondContact O-N 3.5Å; T66-D68 WeakPolarHBondContact CB-OD1 3.43Å; T66-D68 PolarHBondContact O-N 2.88Å; T66-D68 PolarHBondContact OG1-OD1 2.99Å; T66-T69 WeakPolarHBondContact O-CB 3.05Å; T66-T69 PolarHBondContact O-N 3.37Å; T66-T69 PolarHBondContact O-OG1 3.2Å
67	S	78.6	Confident	75	Confident	75 Å²	75	47.4 Å²	47.4	52%	0.524	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.2	-176.2	57	0	0	0	0	114.4	G89 E92	S67-G89 WeakPolarHBondContact CB-O 3.31Å; S67-E92 WeakPolarHBondContact O-CB 3.41Å; S67-E92 VanDerWaalsContact O-CG 3.32Å; S67-E92 WeakPolarHBondContact O-CG 3.47Å
68	D	83.2	Confident	76.3	Confident	73 Å²	73	47.6 Å²	47.6	39%	0.39	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	1.2	176.8	68.3	-33.7	0	0	0	114.1	K50 T66 A70	K50-D68 VanDerWaalsContact CD-O 3.3Å; K50-D68 WeakPolarHBondContact CD-O 3.41Å; K50-D68 WeakPolarHBondContact CG-O 3.35Å; T66-D68 WeakPolarHBondContact CB-OD1 3.43Å; T66-D68 PolarHBondContact O-N 2.88Å; T66-D68 PolarHBondContact OG1-OD1 2.99Å; D68-A70 PolarHBondContact O-N 3.47Å
69	T	84.9	Confident	77.4	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.272	C	S	.	.			trans	-63.6	118.8	176.9	-61	0	0	0	0	110.7	V52 V65 T66 Y71 L72 E92 L93	V52-T69 HydrophobicContact CB-CG2 4.07Å; V52-T69 HydrophobicContact CG2-CG2 3.72Å; V65-T69 HydrophobicContact CG1-CG2 3.84Å; V65-T69 WeakPolarHBondContact CG1-OG1 3.49Å; T66-T69 WeakPolarHBondContact O-CB 3.05Å; T66-T69 PolarHBondContact O-N 3.37Å; T66-T69 PolarHBondContact O-OG1 3.2Å; T69-Y71 WeakPolarHBondContact CG2-O 3.48Å; T69-L72 HydrophobicContact CG2-CB 4.3Å; T69-E92 CarbonylContact O-C 3.53Å; T69-L93 HydrophobicContact CG2-CD1 4.1Å; T69-L93 VanDerWaalsContact O-CA 3.3Å; T69-L93 WeakPolarHBondContact O-CA 3.46Å; T69-L93 PolarHBondContact O-N 3.07Å
70	A	87.9	Confident	78.6	Confident	21 Å²	21	53 Å²	53	17%	0.174	29%	0.291	C	S	.	.			trans	-99.4	-23.2	-178.5	0	0	0	0	0	113.1	K50 D68 E92 T94 A95	K50-A70 HydrophobicContact CB-CB 3.71Å; K50-A70 HydrophobicContact CD-CB 4.05Å; K50-A70 PolarHBondContact O-N 2.74Å; D68-A70 PolarHBondContact O-N 3.47Å; A70-E92 WeakPolarHBondContact CA-O 3.15Å; A70-T94 WeakPolarHBondContact O-CA 3.34Å; A70-T94 PolarHBondContact O-N 2.94Å; A70-T94 PolarHBondContact O-OG1 2.98Å; A70-A95 PolarHBondContact O-N 3.48Å
71	Y	91.8	Very high	79.9	Confident	47 Å²	47	51.8 Å²	51.8	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.8	174.6	-179.8	-73.5	0	0	0	109.3	K50 K51 V52 V53 T69 D73 A95 H97	K50-Y71 PolarHBondContact O-N 3.02Å; K51-Y71 CarbonylContact C-O 3.31Å; K51-Y71 WeakPolarHBondContact CA-O 3.35Å; K51-Y71 HydrophobicContact CB-CD1 4.48Å; K51-Y71 HydrophobicContact CD-CD1 3.91Å; K51-Y71 HydrophobicContact CD-CE1 4.19Å; K51-Y71 HydrophobicContact CD-CG 4.26Å; K51-Y71 HydrophobicContact CG-CD1 3.51Å; K51-Y71 HydrophobicContact CG-CE1 4.15Å; K51-Y71 HydrophobicContact CG-CG 4Å; V52-Y71 PolarHBondContact N-O 3.43Å; V53-Y71 HydrophobicContact CG2-CE1 4.47Å; T69-Y71 WeakPolarHBondContact CG2-O 3.48Å; Y71-D73 HydrophobicContact CD1-CB 4.43Å; Y71-D73 HydrophobicContact CE1-CB 3.57Å; Y71-A95 WeakPolarHBondContact CA-O 3.4Å; Y71-A95 HydrophobicContact CD2-CB 3.51Å; Y71-A95 HydrophobicContact CE2-CB 4.05Å; Y71-A95 HydrophobicContact CG-CB 4.28Å; Y71-H97 AromaticContact CE2-CD2 3.74Å; Y71-H97 AromaticContact CE2-NE2 3.54Å; Y71-H97 AromaticContact CZ-CD2 3.72Å; Y71-H97 AromaticContact CZ-NE2 3.73Å; Y71-H97 PolarHBondContact OH-CD2 3.5Å; Y71-H97 PolarHBondContact OH-CE1 3.09Å; Y71-H97 VanDerWaalsContact OH-CE1 3.28Å; Y71-H97 PolarHBondContact OH-ND1 2.71Å; Y71-H97 PolarHBondContact OH-NE2 2.97Å
72	L	90.2	Very high	81.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.3	177.1	-176.4	63.4	0	0	0	109.5	V52 V65 T69 L74 L90 L93 A95 L96 H97	V52-L72 HydrophobicContact CB-CD1 3.84Å; V52-L72 HydrophobicContact CG1-CD1 3.86Å; V52-L72 CarbonylContact O-C 3.06Å; V52-L72 WeakPolarHBondContact O-CA 3.48Å; V65-L72 HydrophobicContact CG1-CD1 4.36Å; V65-L72 HydrophobicContact CG2-CD1 4.29Å; T69-L72 HydrophobicContact CG2-CB 4.3Å; L72-L74 HydrophobicContact CD1-CD2 3.81Å; L72-L74 HydrophobicContact CD1-CG 4.34Å; L72-L74 HydrophobicContact CD2-CD1 4.06Å; L72-L74 HydrophobicContact CD2-CD2 4.27Å; L72-L74 HydrophobicContact CD2-CG 4.14Å; L72-L74 HydrophobicContact CG-CD1 4.39Å; L72-L74 HydrophobicContact CG-CD2 3.95Å; L72-L74 HydrophobicContact CG-CG 3.92Å; L72-L90 HydrophobicContact CD2-CD1 3.8Å; L72-L93 HydrophobicContact CB-CD1 3.5Å; L72-L93 HydrophobicContact CB-CD2 4.28Å; L72-A95 PolarHBondContact N-O 3.15Å; L72-L96 HydrophobicContact CB-CD1 4.12Å; L72-L96 HydrophobicContact CD2-CD1 4.13Å; L72-L96 HydrophobicContact CG-CD1 4.22Å; L72-L96 WeakPolarHBondContact O-CA 3.34Å; L72-H97 PolarHBondContact O-N 2.96Å
73	D	90	Very high	82.7	Confident	30 Å²	30	51.3 Å²	51.3	16%	0.16	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.1	173.7	-178.8	5.3	0	0	0	109.9	V52 V53 C54 Y71 S75 H97	V52-D73 PolarHBondContact O-N 2.78Å; V53-D73 CarbonylContact C-O 3.47Å; V53-D73 WeakPolarHBondContact CA-O 3.05Å; V53-D73 HydrophobicContact CB-CB 4.44Å; V53-D73 HydrophobicContact CG1-CB 4.14Å; V53-D73 HydrophobicContact CG2-CB 4.19Å; C54-D73 PolarHBondContact N-O 3.15Å; Y71-D73 HydrophobicContact CD1-CB 4.43Å; Y71-D73 HydrophobicContact CE1-CB 3.57Å; D73-S75 WeakPolarHBondContact OD1-CB 3.26Å; D73-S75 PolarHBondContact OD1-N 3.16Å; D73-S75 PolarHBondContact OD1-OG 3.01Å; D73-H97 HydrophobicContact CB-CB 3.94Å; D73-H97 WeakPolarHBondContact OD1-CB 3.33Å
74	L	88.9	Confident	84	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.			trans	-111.7	28.2	175.5	-49.8	177	0	0	0	110.1	C54 P58 I62 L72 S77 F79 F87 H97 L98 N101	C54-L74 HydrophobicContact CB-CD2 3.76Å; P58-L74 HydrophobicContact CB-CD2 3.83Å; P58-L74 HydrophobicContact CG-CB 4.09Å; P58-L74 HydrophobicContact CG-CD2 3.87Å; P58-L74 HydrophobicContact CG-CG 4.44Å; I62-L74 HydrophobicContact CD1-CD1 3.53Å; I62-L74 HydrophobicContact CG1-CD1 4.14Å; L72-L74 HydrophobicContact CD1-CD2 3.81Å; L72-L74 HydrophobicContact CD1-CG 4.34Å; L72-L74 HydrophobicContact CD2-CD1 4.06Å; L72-L74 HydrophobicContact CD2-CD2 4.27Å; L72-L74 HydrophobicContact CD2-CG 4.14Å; L72-L74 HydrophobicContact CG-CD1 4.39Å; L72-L74 HydrophobicContact CG-CD2 3.95Å; L72-L74 HydrophobicContact CG-CG 3.92Å; L74-S77 WeakPolarHBondContact O-CB 3.34Å; L74-S77 PolarHBondContact O-OG 3.39Å; L74-F79 HydrophobicContact CB-CE1 3.94Å; L74-F79 HydrophobicContact CB-CZ 4.04Å; L74-F79 WeakPolarHBondContact O-CE1 3.33Å; L74-F87 HydrophobicContact CD1-CE1 4.06Å; L74-H97 PolarHBondContact N-O 3.19Å; L74-L98 HydrophobicContact CB-CD2 4.07Å; L74-L98 HydrophobicContact CD1-CD2 4.06Å; L74-L98 HydrophobicContact CG-CD2 4.43Å; L74-N101 PolarHBondContact O-ND2 3.47Å; L74-N101 PolarHBondContact O-OD1 3.44Å
75	S	86.7	Confident	85.1	Confident	20 Å²	20	51.5 Å²	51.5	14%	0.14	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	154.7	178.9	-56.8	0	0	0	0	111.6	D73 S77 S99	D73-S75 WeakPolarHBondContact OD1-CB 3.26Å; D73-S75 PolarHBondContact OD1-N 3.16Å; D73-S75 PolarHBondContact OD1-OG 3.01Å; S75-S77 PolarHBondContact O-N 3.38Å; S75-S77 VanDerWaalsContact O-N 3.14Å; S75-S77 PolarHBondContact O-OG 3.09Å; S75-S99 CarbonylContact C-O 3.56Å; S75-S99 WeakPolarHBondContact CA-O 3.04Å; S75-S99 WeakPolarHBondContact CB-O 3.12Å; S75-S99 PolarHBondContact OG-N 3.1Å
76	S	84.9	Confident	85.9	Confident	65 Å²	65	53.1 Å²	53.1	46%	0.455	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.3	176.6	-59.6	0	0	0	0	115.4	S99 F100	S76-S99 PolarHBondContact N-O 3.03Å; S76-F100 WeakPolarHBondContact CA-O 3.32Å
77	S	79.3	Confident	86.7	Confident	5 Å²	5	50.5 Å²	50.5	4%	0.035	26%	0.256	C	S	.	.			trans	-101.5	-5.3	-172.5	-79.9	0	0	0	0	114.7	P58 L74 S75 F79 N101	P58-S77 WeakPolarHBondContact CD-OG 3.25Å; P58-S77 VanDerWaalsContact CG-CB 3.41Å; P58-S77 WeakPolarHBondContact CG-OG 3.33Å; L74-S77 WeakPolarHBondContact O-CB 3.34Å; L74-S77 PolarHBondContact O-OG 3.39Å; S75-S77 PolarHBondContact O-N 3.38Å; S75-S77 VanDerWaalsContact O-N 3.14Å; S75-S77 PolarHBondContact O-OG 3.09Å; S77-F79 VanDerWaalsContact CB-CE1 3.48Å; S77-N101 WeakPolarHBondContact CA-OD1 3.08Å; S77-N101 WeakPolarHBondContact CB-OD1 3.21Å; S77-N101 PolarHBondContact N-OD1 3.08Å
78	R	83.2	Confident	86.9	Confident	191 Å²	191	53.5 Å²	53.5	72%	0.721	26%	0.261	S	S	*	.			trans	65.5	31.1	168.5	-47.7	-173.7	-156.5	-170	4.1	115.8	N101	R78-N101 CarbonylContact C-O 3.56Å; R78-N101 VanDerWaalsContact CA-O 3.32Å; R78-N101 WeakPolarHBondContact CA-O 3.45Å; R78-N101 PolarHBondContact N-OD1 2.84Å
79	F	84.5	Confident	86.9	Confident	16 Å²	16	52.1 Å²	52.1	7%	0.07	27%	0.265	C	S	.	.			trans	-90.1	137.9	172.8	49.1	-94.9	0	0	0	112	P58 L59 L74 S77 I82 L98 N101 L103	P58-F79 HydrophobicContact CG-CE1 4.29Å; L59-F79 HydrophobicContact CD1-CB 3.37Å; L59-F79 HydrophobicContact CD1-CD1 3.93Å; L59-F79 HydrophobicContact CD1-CD2 4.11Å; L59-F79 HydrophobicContact CD1-CG 3.56Å; L59-F79 HydrophobicContact CG-CB 4.45Å; L59-F79 HydrophobicContact CG-CD1 4.16Å; L59-F79 HydrophobicContact CG-CG 4.25Å; L74-F79 HydrophobicContact CB-CE1 3.94Å; L74-F79 HydrophobicContact CB-CZ 4.04Å; L74-F79 WeakPolarHBondContact O-CE1 3.33Å; S77-F79 VanDerWaalsContact CB-CE1 3.48Å; F79-I82 HydrophobicContact CD2-CG2 3.51Å; F79-I82 HydrophobicContact CE2-CG2 3.44Å; F79-I82 VanDerWaalsContact CE2-CG2 3.44Å; F79-I82 HydrophobicContact CZ-CG2 4.48Å; F79-L98 HydrophobicContact CE2-CD2 4.02Å; F79-L98 HydrophobicContact CZ-CD2 3.6Å; F79-N101 WeakPolarHBondContact CD1-OD1 3.5Å; F79-N101 HydrophobicContact CD2-CB 4.17Å; F79-N101 HydrophobicContact CE1-CB 4.38Å; F79-N101 VanDerWaalsContact CE1-CG 3.42Å; F79-N101 WeakPolarHBondContact CE1-OD1 3.49Å; F79-N101 HydrophobicContact CE2-CB 4.03Å; F79-N101 HydrophobicContact CG-CB 4.4Å; F79-N101 HydrophobicContact CZ-CB 4.11Å; F79-N101 WeakPolarHBondContact CZ-ND2 3.41Å; F79-L103 HydrophobicContact CD2-CD1 3.91Å; F79-L103 HydrophobicContact CD2-CG 3.94Å; F79-L103 HydrophobicContact CE2-CD1 3.39Å; F79-L103 HydrophobicContact CE2-CG 3.96Å; F79-L103 HydrophobicContact CZ-CD1 4.4Å
80	K	87	Confident	87	Confident	145 Å²	145	52.3 Å²	52.3	63%	0.63	27%	0.265	S	S	*	.	S	Bend	trans	-87.7	-22.3	-174.9	-72.6	-89.5	177.6	-177	0	113.4	A104 Y105	K80-A104 PolarHBondContact O-N 3.23Å; K80-Y105 PolarHBondContact O-N 3.39Å
81	S	90.3	Very high	86.8	Confident	65 Å²	65	54 Å²	54	46%	0.455	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.7	-179.2	59.6	0	0	0	0	111.4	Y105	S81-Y105 VanDerWaalsContact CA-O 3.22Å; S81-Y105 WeakPolarHBondContact CA-O 3.04Å
82	I	91.3	Very high	86.6	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153	172.2	61	-175.5	0	0	0	109.8	F79 D86 F87 L98 L103 Y105 I106 E107 T110 F111	F79-I82 HydrophobicContact CD2-CG2 3.51Å; F79-I82 HydrophobicContact CE2-CG2 3.44Å; F79-I82 VanDerWaalsContact CE2-CG2 3.44Å; F79-I82 HydrophobicContact CZ-CG2 4.48Å; I82-D86 VanDerWaalsContact CA-OD2 3.28Å; I82-D86 WeakPolarHBondContact CA-OD2 3.48Å; I82-F87 HydrophobicContact CB-CE2 4.21Å; I82-F87 HydrophobicContact CD1-CE2 4.06Å; I82-F87 HydrophobicContact CD1-CZ 4.34Å; I82-F87 HydrophobicContact CG2-CZ 4.47Å; I82-L98 HydrophobicContact CD1-CD1 3.65Å; I82-L103 HydrophobicContact CB-CD2 4.5Å; I82-L103 HydrophobicContact CD1-CD1 4.24Å; I82-L103 HydrophobicContact CD1-CD2 4.13Å; I82-L103 HydrophobicContact CG1-CD2 3.89Å; I82-L103 HydrophobicContact CG2-CD1 4.39Å; I82-L103 HydrophobicContact CG2-CD2 4.22Å; I82-Y105 PolarHBondContact N-O 2.05Å; I82-I106 HydrophobicContact CD1-CD1 4.31Å; I82-I106 HydrophobicContact CD1-CG1 3.96Å; I82-I106 HydrophobicContact CD1-CG2 4.08Å; I82-I106 HydrophobicContact CG1-CB 4.24Å; I82-I106 HydrophobicContact CG1-CG1 3.96Å; I82-I106 HydrophobicContact CG1-CG2 3.93Å; I82-E107 PolarHBondContact O-N 2.84Å; I82-T110 HydrophobicContact CB-CG2 4.47Å; I82-T110 HydrophobicContact CD1-CG2 4.04Å; I82-T110 HydrophobicContact CG1-CG2 3.96Å; I82-F111 HydrophobicContact CD1-CE1 4.39Å; I82-F111 HydrophobicContact CD1-CZ 4.2Å
83	G	89.4	Confident	86.6	Confident	6 Å²	6	55.9 Å²	55.9	6%	0.062	29%	0.286	C	S	.	.			trans	-143.4	176.3	177.2	0	0	0	0	0	113.2	K85 D86 E107 T110	G83-K85 PolarHBondContact O-N 2.88Å; G83-K85 VanDerWaalsContact O-N 3.12Å; G83-D86 PolarHBondContact N-OD2 3.38Å; G83-D86 WeakPolarHBondContact O-CB 3.39Å; G83-D86 PolarHBondContact O-N 3.28Å; G83-E107 WeakPolarHBondContact CA-OE2 3.36Å; G83-T110 WeakPolarHBondContact CA-OG1 3.48Å
84	K	87.4	Confident	86.8	Confident	67 Å²	67	57.1 Å²	57.1	29%	0.291	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-54.5	-36.1	-174.6	-177.4	171.5	-177.1	164.6	0	113.8	D86 F87 E112 D113	K84-D86 PolarHBondContact O-N 2.04Å; K84-F87 PolarHBondContact O-N 3.33Å; K84-E112 IonicContact NZ-OE2 2.8Å; K84-E112 PolarHBondContact NZ-OE2 3.27Å; K84-D113 WeakPolarHBondContact CE-OD1 3.41Å; K84-D113 WeakPolarHBondContact CE-OD2 3.22Å; K84-D113 IonicContact NZ-OD1 3.97Å; K84-D113 PolarHBondContact NZ-OD1 2.01Å; K84-D113 IonicContact NZ-OD2 3.23Å
85	K	86.8	Confident	87.1	Confident	179 Å²	179	57.6 Å²	57.6	78%	0.778	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.3	-23.4	-179.8	-66.9	-178.4	-178.6	174.7	0	113.3	G83 F87	G83-K85 PolarHBondContact O-N 2.88Å; G83-K85 VanDerWaalsContact O-N 3.12Å; K85-F87 VanDerWaalsContact C-N 3.31Å; K85-F87 PolarHBondContact O-N 3.33Å
86	D	86.8	Confident	87.5	Confident	48 Å²	48	56.6 Å²	56.6	26%	0.257	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-73.5	-23.9	-175.2	-62.8	-38.9	0	0	0	112.6	L59 I62 I82 G83 K84	L59-D86 HydrophobicContact CD2-CB 3.61Å; L59-D86 VanDerWaalsContact CD2-CG 3.44Å; I62-D86 VanDerWaalsContact CD1-O 3.28Å; I62-D86 WeakPolarHBondContact CD1-O 3.31Å; I62-D86 WeakPolarHBondContact CG2-O 3.34Å; I82-D86 VanDerWaalsContact CA-OD2 3.28Å; I82-D86 WeakPolarHBondContact CA-OD2 3.48Å; G83-D86 PolarHBondContact N-OD2 3.38Å; G83-D86 WeakPolarHBondContact O-CB 3.39Å; G83-D86 PolarHBondContact O-N 3.28Å; K84-D86 PolarHBondContact O-N 2.04Å
87	F	87.8	Confident	87.9	Confident	2 Å²	2	55 Å²	55	1%	0.009	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-118.3	11.9	-178.9	-52.6	-71.9	0	0	0	113.6	I62 L74 I82 K84 K85 G89 L90 L96 L98 T110 F111 L114	I62-F87 HydrophobicContact CD1-CD1 4.48Å; I62-F87 HydrophobicContact CD1-CE1 4.22Å; L74-F87 HydrophobicContact CD1-CE1 4.06Å; I82-F87 HydrophobicContact CB-CE2 4.21Å; I82-F87 HydrophobicContact CD1-CE2 4.06Å; I82-F87 HydrophobicContact CD1-CZ 4.34Å; I82-F87 HydrophobicContact CG2-CZ 4.47Å; K84-F87 PolarHBondContact O-N 3.33Å; K85-F87 VanDerWaalsContact C-N 3.31Å; K85-F87 PolarHBondContact O-N 3.33Å; F87-G89 PolarHBondContact O-N 2.75Å; F87-L90 HydrophobicContact CB-CD1 4.48Å; F87-L90 HydrophobicContact CD1-CD1 4.3Å; F87-L90 PolarHBondContact O-N 2.83Å; F87-L96 HydrophobicContact CD1-CD2 4.12Å; F87-L96 HydrophobicContact CE1-CD1 3.91Å; F87-L96 HydrophobicContact CE1-CD2 3.75Å; F87-L96 HydrophobicContact CE1-CG 4.48Å; F87-L96 HydrophobicContact CE2-CD2 4.36Å; F87-L96 HydrophobicContact CZ-CD2 3.89Å; F87-L98 HydrophobicContact CE1-CD2 4.44Å; F87-L98 HydrophobicContact CZ-CD1 4.28Å; F87-L98 HydrophobicContact CZ-CD2 4.06Å; F87-T110 HydrophobicContact CD2-CG2 3.72Å; F87-T110 HydrophobicContact CE2-CG2 3.62Å; F87-F111 HydrophobicContact CE2-CE1 4.33Å; F87-L114 HydrophobicContact CB-CD1 4.05Å; F87-L114 HydrophobicContact CB-CD2 4.08Å; F87-L114 HydrophobicContact CB-CG 4.29Å; F87-L114 HydrophobicContact CG-CD1 4.26Å
88	Q	83	Confident	88.5	Confident	137 Å²	137	54.8 Å²	54.8	64%	0.64	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	123.9	-177.1	-163.8	175.5	6.3	0	0	110.7
89	G	82.6	Confident	88.9	Confident	45 Å²	45	46 Å²	46	46%	0.464	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	-3.8	178.8	0	0	0	0	0	116	S67 F87 S91	S67-G89 WeakPolarHBondContact CB-O 3.31Å; F87-G89 PolarHBondContact O-N 2.75Å; G89-S91 VanDerWaalsContact C-N 3.25Å; G89-S91 PolarHBondContact O-N 3.3Å; G89-S91 VanDerWaalsContact O-N 3.17Å
90	L	86.4	Confident	89.2	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	26%	0.264	C	S	.	.			trans	-88.5	50	177.2	-59.9	178.1	0	0	0	112.3	I62 V65 L72 F87 E92 L93 L114	I62-L90 HydrophobicContact CG2-CD1 3.99Å; V65-L90 HydrophobicContact CB-CD2 4.1Å; V65-L90 HydrophobicContact CG1-CD2 3.66Å; L72-L90 HydrophobicContact CD2-CD1 3.8Å; F87-L90 HydrophobicContact CB-CD1 4.48Å; F87-L90 HydrophobicContact CD1-CD1 4.3Å; F87-L90 PolarHBondContact O-N 2.83Å; L90-E92 PolarHBondContact O-N 3.43Å; L90-E92 VanDerWaalsContact O-N 3.16Å; L90-L93 HydrophobicContact CB-CB 4.18Å; L90-L93 HydrophobicContact CD1-CD2 4.43Å; L90-L93 WeakPolarHBondContact O-CB 3.41Å; L90-L93 PolarHBondContact O-N 3.43Å; L90-L114 HydrophobicContact CB-CD2 3.97Å; L90-L114 VanDerWaalsContact O-CD2 3.29Å; L90-L114 WeakPolarHBondContact O-CD2 3.41Å
91	S	84.5	Confident	89.1	Confident	58 Å²	58	44 Å²	44	41%	0.406	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-24	-172.9	56.3	0	0	0	0	114.1	G89 L93 N116	G89-S91 VanDerWaalsContact C-N 3.25Å; G89-S91 PolarHBondContact O-N 3.3Å; G89-S91 VanDerWaalsContact O-N 3.17Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-N116 PolarHBondContact O-ND2 3.15Å
92	E	87.8	Confident	89.1	Confident	85 Å²	85	42 Å²	42	40%	0.397	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.7	178.1	-62.2	-62.3	124	0	0	113.5	S67 T69 A70 L90 T94	S67-E92 WeakPolarHBondContact O-CB 3.41Å; S67-E92 VanDerWaalsContact O-CG 3.32Å; S67-E92 WeakPolarHBondContact O-CG 3.47Å; T69-E92 CarbonylContact O-C 3.53Å; A70-E92 WeakPolarHBondContact CA-O 3.15Å; L90-E92 PolarHBondContact O-N 3.43Å; L90-E92 VanDerWaalsContact O-N 3.16Å; E92-T94 PolarHBondContact O-N 3.42Å
93	L	90.9	Very high	89.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.			trans	-67.9	117.4	-174.5	-165.8	70.6	0	0	0	111.3	T69 L72 L90 S91 L96 L114 N116 L117	T69-L93 HydrophobicContact CG2-CD1 4.1Å; T69-L93 VanDerWaalsContact O-CA 3.3Å; T69-L93 WeakPolarHBondContact O-CA 3.46Å; T69-L93 PolarHBondContact O-N 3.07Å; L72-L93 HydrophobicContact CB-CD1 3.5Å; L72-L93 HydrophobicContact CB-CD2 4.28Å; L90-L93 HydrophobicContact CB-CB 4.18Å; L90-L93 HydrophobicContact CD1-CD2 4.43Å; L90-L93 WeakPolarHBondContact O-CB 3.41Å; L90-L93 PolarHBondContact O-N 3.43Å; S91-L93 VanDerWaalsContact C-N 3.32Å; L93-L96 HydrophobicContact CD2-CB 3.99Å; L93-L96 HydrophobicContact CD2-CD1 4.17Å; L93-L96 HydrophobicContact CD2-CD2 4.29Å; L93-L96 HydrophobicContact CD2-CG 4.37Å; L93-L114 HydrophobicContact CB-CD2 4.23Å; L93-L114 HydrophobicContact CD2-CD1 4.16Å; L93-L114 HydrophobicContact CD2-CD2 4.27Å; L93-N116 CarbonylContact O-C 3.53Å; L93-N116 VanDerWaalsContact O-C 3.29Å; L93-L117 HydrophobicContact CD2-CD1 4.43Å; L93-L117 HydrophobicContact CG-CD1 4.38Å; L93-L117 VanDerWaalsContact O-CA 3.28Å; L93-L117 WeakPolarHBondContact O-CA 3.49Å; L93-L117 PolarHBondContact O-N 3.19Å
94	T	94.1	Very high	89.2	Confident	56 Å²	56	43.6 Å²	43.6	34%	0.344	24%	0.239	S	C	.	.			trans	-103.4	-22.9	179.7	64	0	0	0	0	113.5	A70 E92 N116 K118 M119	A70-T94 WeakPolarHBondContact O-CA 3.34Å; A70-T94 PolarHBondContact O-N 2.94Å; A70-T94 PolarHBondContact O-OG1 2.98Å; E92-T94 PolarHBondContact O-N 3.42Å; T94-N116 WeakPolarHBondContact CA-O 3.31Å; T94-N116 HydrophobicContact CG2-CB 4.48Å; T94-K118 WeakPolarHBondContact O-CA 3.26Å; T94-K118 PolarHBondContact O-N 3.4Å; T94-M119 PolarHBondContact O-N 3.38Å
95	A	94.7	Very high	89.3	Confident	10 Å²	10	46 Å²	46	8%	0.083	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	129.8	178	0	0	0	0	0	111.2	A70 Y71 L72 M119	A70-A95 PolarHBondContact O-N 3.48Å; Y71-A95 WeakPolarHBondContact CA-O 3.4Å; Y71-A95 HydrophobicContact CD2-CB 3.51Å; Y71-A95 HydrophobicContact CE2-CB 4.05Å; Y71-A95 HydrophobicContact CG-CB 4.28Å; L72-A95 PolarHBondContact N-O 3.15Å; A95-M119 WeakPolarHBondContact CA-O 3.25Å; A95-M119 HydrophobicContact CB-CB 4.11Å
96	L	94.3	Very high	89.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.4	179.9	179.8	55.2	0	0	0	110.2	L72 F87 L93 L98 F111 L114 L117 M119 L120 N121	L72-L96 HydrophobicContact CB-CD1 4.12Å; L72-L96 HydrophobicContact CD2-CD1 4.13Å; L72-L96 HydrophobicContact CG-CD1 4.22Å; L72-L96 WeakPolarHBondContact O-CA 3.34Å; F87-L96 HydrophobicContact CD1-CD2 4.12Å; F87-L96 HydrophobicContact CE1-CD1 3.91Å; F87-L96 HydrophobicContact CE1-CD2 3.75Å; F87-L96 HydrophobicContact CE1-CG 4.48Å; F87-L96 HydrophobicContact CE2-CD2 4.36Å; F87-L96 HydrophobicContact CZ-CD2 3.89Å; L93-L96 HydrophobicContact CD2-CB 3.99Å; L93-L96 HydrophobicContact CD2-CD1 4.17Å; L93-L96 HydrophobicContact CD2-CD2 4.29Å; L93-L96 HydrophobicContact CD2-CG 4.37Å; L96-L98 HydrophobicContact CD1-CD2 3.95Å; L96-L98 HydrophobicContact CD1-CG 4.11Å; L96-L98 HydrophobicContact CD2-CD1 3.96Å; L96-L98 HydrophobicContact CD2-CG 4.35Å; L96-L98 HydrophobicContact CG-CD1 4.03Å; L96-L98 HydrophobicContact CG-CD2 4.27Å; L96-L98 HydrophobicContact CG-CG 3.91Å; L96-F111 HydrophobicContact CD2-CD1 4.3Å; L96-F111 HydrophobicContact CD2-CE1 3.93Å; L96-L114 HydrophobicContact CD2-CD1 4.16Å; L96-L117 HydrophobicContact CB-CD1 3.66Å; L96-M119 PolarHBondContact N-O 3.46Å; L96-L120 HydrophobicContact CB-CD1 4.1Å; L96-L120 HydrophobicContact CD2-CD1 4.09Å; L96-L120 HydrophobicContact CG-CD1 4.1Å; L96-L120 WeakPolarHBondContact O-CA 3.37Å; L96-N121 PolarHBondContact O-N 2.96Å
97	H	93.6	Very high	89.8	Confident	32 Å²	32	40.3 Å²	40.3	15%	0.148	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.2	175.8	-73.9	-135.1	0	0	0	110.1	Y71 L72 D73 L74	Y71-H97 AromaticContact CE2-CD2 3.74Å; Y71-H97 AromaticContact CE2-NE2 3.54Å; Y71-H97 AromaticContact CZ-CD2 3.72Å; Y71-H97 AromaticContact CZ-NE2 3.73Å; Y71-H97 PolarHBondContact OH-CD2 3.5Å; Y71-H97 PolarHBondContact OH-CE1 3.09Å; Y71-H97 VanDerWaalsContact OH-CE1 3.28Å; Y71-H97 PolarHBondContact OH-ND1 2.71Å; Y71-H97 PolarHBondContact OH-NE2 2.97Å; L72-H97 PolarHBondContact O-N 2.96Å; D73-H97 HydrophobicContact CB-CB 3.94Å; D73-H97 WeakPolarHBondContact OD1-CB 3.33Å; L74-H97 PolarHBondContact N-O 3.19Å
98	L	92.9	Very high	89.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.			trans	-129.5	26.8	-176	-62	169.8	0	0	0	111.1	L74 F79 I82 F87 L96 N101 L103 F111 L120 N121 L122 N125	L74-L98 HydrophobicContact CB-CD2 4.07Å; L74-L98 HydrophobicContact CD1-CD2 4.06Å; L74-L98 HydrophobicContact CG-CD2 4.43Å; F79-L98 HydrophobicContact CE2-CD2 4.02Å; F79-L98 HydrophobicContact CZ-CD2 3.6Å; I82-L98 HydrophobicContact CD1-CD1 3.65Å; F87-L98 HydrophobicContact CE1-CD2 4.44Å; F87-L98 HydrophobicContact CZ-CD1 4.28Å; F87-L98 HydrophobicContact CZ-CD2 4.06Å; L96-L98 HydrophobicContact CD1-CD2 3.95Å; L96-L98 HydrophobicContact CD1-CG 4.11Å; L96-L98 HydrophobicContact CD2-CD1 3.96Å; L96-L98 HydrophobicContact CD2-CG 4.35Å; L96-L98 HydrophobicContact CG-CD1 4.03Å; L96-L98 HydrophobicContact CG-CD2 4.27Å; L96-L98 HydrophobicContact CG-CG 3.91Å; L98-N101 PolarHBondContact O-ND2 3.42Å; L98-L103 HydrophobicContact CB-CD1 4.13Å; L98-F111 HydrophobicContact CD1-CE1 4.45Å; L98-L120 HydrophobicContact CD1-CD1 4.18Å; L98-N121 PolarHBondContact N-O 3.5Å; L98-L122 HydrophobicContact CB-CD2 4.03Å; L98-L122 HydrophobicContact CD1-CD2 3.7Å; L98-L122 HydrophobicContact CG-CD2 4.49Å; L98-N125 PolarHBondContact O-ND2 3.16Å
99	S	90.8	Very high	90.1	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.049	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	155.9	-172.5	-54	0	0	0	0	113.5	S75 S76 N101 N121 S123	S75-S99 CarbonylContact C-O 3.56Å; S75-S99 WeakPolarHBondContact CA-O 3.04Å; S75-S99 WeakPolarHBondContact CB-O 3.12Å; S75-S99 PolarHBondContact OG-N 3.1Å; S76-S99 PolarHBondContact N-O 3.03Å; S99-N101 VanDerWaalsContact C-N 3.28Å; S99-N101 PolarHBondContact O-N 3.24Å; S99-N101 PolarHBondContact O-ND2 2.94Å; S99-N121 VanDerWaalsContact OG-CG 3.24Å; S99-N121 PolarHBondContact OG-ND2 3.46Å; S99-N121 PolarHBondContact OG-OD1 3.36Å; S99-S123 WeakPolarHBondContact CA-O 3.25Å; S99-S123 WeakPolarHBondContact CB-O 2.96Å; S99-S123 PolarHBondContact OG-O 2.98Å
100	F	89.8	Confident	90.5	Very high	112 Å²	112	35 Å²	35	49%	0.491	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	31.3	175.7	-57.4	-84	0	0	0	114.9	S76 S123 H124	S76-F100 WeakPolarHBondContact CA-O 3.32Å; F100-S123 PolarHBondContact N-O 3.28Å; F100-H124 WeakPolarHBondContact CA-O 3.43Å; F100-H124 HydrophobicContact CD1-CB 3.43Å; F100-H124 VanDerWaalsContact CD1-CB 3.43Å; F100-H124 AromaticContact CD1-CG 3.83Å; F100-H124 HydrophobicContact CD2-CB 4.11Å; F100-H124 HydrophobicContact CE1-CB 3.47Å; F100-H124 VanDerWaalsContact CE1-CB 3.47Å; F100-H124 AromaticContact CE1-CD2 3.62Å; F100-H124 AromaticContact CE1-CG 3.29Å; F100-H124 AromaticContact CE1-ND1 3.63Å; F100-H124 HydrophobicContact CE2-CB 4.13Å; F100-H124 AromaticContact CE2-CD2 3.33Å; F100-H124 WeakPolarHBondContact CE2-CD2 3.44Å; F100-H124 AromaticContact CE2-CG 3.83Å; F100-H124 AromaticContact CE2-NE2 3.98Å; F100-H124 HydrophobicContact CG-CB 3.77Å; F100-H124 HydrophobicContact CZ-CB 3.84Å; F100-H124 AromaticContact CZ-CD2 3.07Å; F100-H124 WeakPolarHBondContact CZ-CD2 3.18Å; F100-H124 AromaticContact CZ-CE1 3.84Å; F100-H124 AromaticContact CZ-CG 3.3Å; F100-H124 AromaticContact CZ-ND1 3.76Å; F100-H124 AromaticContact CZ-NE2 3.42Å; F100-H124 WeakPolarHBondContact CZ-NE2 3.32Å; F100-H124 PolarHBondContact N-O 3.36Å
101	N	86.3	Confident	90.8	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	19%	0.187	C	C	.	.	S	Bend	trans	-95.6	-19.1	178.9	-81.4	-63.9	0	0	0	113.8	L74 S77 R78 F79 L98 S99 L103 N125	L74-N101 PolarHBondContact O-ND2 3.47Å; L74-N101 PolarHBondContact O-OD1 3.44Å; S77-N101 WeakPolarHBondContact CA-OD1 3.08Å; S77-N101 WeakPolarHBondContact CB-OD1 3.21Å; S77-N101 PolarHBondContact N-OD1 3.08Å; R78-N101 CarbonylContact C-O 3.56Å; R78-N101 VanDerWaalsContact CA-O 3.32Å; R78-N101 WeakPolarHBondContact CA-O 3.45Å; R78-N101 PolarHBondContact N-OD1 2.84Å; F79-N101 WeakPolarHBondContact CD1-OD1 3.5Å; F79-N101 HydrophobicContact CD2-CB 4.17Å; F79-N101 HydrophobicContact CE1-CB 4.38Å; F79-N101 VanDerWaalsContact CE1-CG 3.42Å; F79-N101 WeakPolarHBondContact CE1-OD1 3.49Å; F79-N101 HydrophobicContact CE2-CB 4.03Å; F79-N101 HydrophobicContact CG-CB 4.4Å; F79-N101 HydrophobicContact CZ-CB 4.11Å; F79-N101 WeakPolarHBondContact CZ-ND2 3.41Å; L98-N101 PolarHBondContact O-ND2 3.42Å; S99-N101 VanDerWaalsContact C-N 3.28Å; S99-N101 PolarHBondContact O-N 3.24Å; S99-N101 PolarHBondContact O-ND2 2.94Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 HydrophobicContact CB-CD1 4.3Å; N101-N125 WeakPolarHBondContact CA-OD1 3.46Å; N101-N125 WeakPolarHBondContact CB-OD1 2.85Å; N101-N125 PolarHBondContact N-OD1 2.98Å
102	G	89.7	Confident	90.9	Very high	21 Å²	21	35.4 Å²	35.4	22%	0.216	18%	0.184	C	C	.	.			trans	68.9	29.4	-167.3	0	0	0	0	0	111.9	A104 N125	G102-A104 PolarHBondContact O-N 2.95Å; G102-N125 PolarHBondContact N-OD1 3.31Å
103	L	91.5	Very high	90.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.			trans	-59	118.5	175.1	-116.8	155.4	0	0	0	109.1	F79 I82 L98 N101 Y105 I106 L122 N125 S126 L127	F79-L103 HydrophobicContact CD2-CD1 3.91Å; F79-L103 HydrophobicContact CD2-CG 3.94Å; F79-L103 HydrophobicContact CE2-CD1 3.39Å; F79-L103 HydrophobicContact CE2-CG 3.96Å; F79-L103 HydrophobicContact CZ-CD1 4.4Å; I82-L103 HydrophobicContact CB-CD2 4.5Å; I82-L103 HydrophobicContact CD1-CD1 4.24Å; I82-L103 HydrophobicContact CD1-CD2 4.13Å; I82-L103 HydrophobicContact CG1-CD2 3.89Å; I82-L103 HydrophobicContact CG2-CD1 4.39Å; I82-L103 HydrophobicContact CG2-CD2 4.22Å; L98-L103 HydrophobicContact CB-CD1 4.13Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 HydrophobicContact CB-CD1 4.3Å; L103-Y105 VanDerWaalsContact CD2-O 3.31Å; L103-Y105 WeakPolarHBondContact CD2-O 3.27Å; L103-I106 HydrophobicContact CD2-CG1 3.84Å; L103-L122 HydrophobicContact CD1-CD2 4.48Å; L103-N125 HydrophobicContact CB-CB 3.85Å; L103-N125 WeakPolarHBondContact CB-OD1 3.41Å; L103-N125 PolarHBondContact N-OD1 3.45Å; L103-S126 CarbonylContact O-C 3.57Å; L103-S126 WeakPolarHBondContact O-CA 3.31Å; L103-S126 PolarHBondContact O-N 3.41Å; L103-L127 HydrophobicContact CB-CD2 4.38Å; L103-L127 WeakPolarHBondContact O-CD2 3.47Å; L103-L127 PolarHBondContact O-N 2.88Å; L103-L127 VanDerWaalsContact O-N 3.12Å
104	A	90.6	Very high	90.8	Very high	46 Å²	46	34.4 Å²	34.4	38%	0.38	18%	0.181	S	C	.	.			trans	-108.2	-18.5	-179.6	0	0	0	0	0	112.7	K80 G102	K80-A104 PolarHBondContact O-N 3.23Å; G102-A104 PolarHBondContact O-N 2.95Å
105	Y	90.8	Very high	90.4	Very high	118 Å²	118	34.2 Å²	34.2	46%	0.463	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	135.3	-177.3	-179.1	-106.6	0	0	0	111.7	K80 S81 I82 L103 E107	K80-Y105 PolarHBondContact O-N 3.39Å; S81-Y105 VanDerWaalsContact CA-O 3.22Å; S81-Y105 WeakPolarHBondContact CA-O 3.04Å; I82-Y105 PolarHBondContact N-O 2.05Å; L103-Y105 VanDerWaalsContact CD2-O 3.31Å; L103-Y105 WeakPolarHBondContact CD2-O 3.27Å; Y105-E107 HydrophobicContact CE1-CB 4.2Å
106	I	92.8	Very high	90.2	Very high	6 Å²	6	37 Å²	37	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.4	172	-59	174.1	0	0	0	106.4	I82 L103 T110 F111 L122 L127 T134	I82-I106 HydrophobicContact CD1-CD1 4.31Å; I82-I106 HydrophobicContact CD1-CG1 3.96Å; I82-I106 HydrophobicContact CD1-CG2 4.08Å; I82-I106 HydrophobicContact CG1-CB 4.24Å; I82-I106 HydrophobicContact CG1-CG1 3.96Å; I82-I106 HydrophobicContact CG1-CG2 3.93Å; L103-I106 HydrophobicContact CD2-CG1 3.84Å; I106-T110 HydrophobicContact CG2-CG2 4.17Å; I106-T110 WeakPolarHBondContact CG2-OG1 3.41Å; I106-F111 HydrophobicContact CG2-CE2 4.15Å; I106-F111 HydrophobicContact CG2-CZ 4.24Å; I106-L122 HydrophobicContact CD1-CD1 3.71Å; I106-L122 HydrophobicContact CD1-CD2 3.71Å; I106-L122 HydrophobicContact CD1-CG 4.38Å; I106-L127 HydrophobicContact CD1-CD1 3.92Å; I106-L127 HydrophobicContact CD1-CD2 4.02Å; I106-L127 HydrophobicContact CG1-CD2 3.91Å; I106-T134 HydrophobicContact CB-CG2 3.9Å; I106-T134 HydrophobicContact CD1-CG2 4.27Å; I106-T134 HydrophobicContact CG2-CG2 3.7Å
107	E	90.1	Very high	90.2	Very high	100 Å²	100	37 Å²	37	47%	0.467	20%	0.198	S	C	.	.			trans	-63.6	140	178.5	-163.8	-178	-178.2	0	0	110.3	I82 G83 Y105 G109 T110	I82-E107 PolarHBondContact O-N 2.84Å; G83-E107 WeakPolarHBondContact CA-OE2 3.36Å; Y105-E107 HydrophobicContact CE1-CB 4.2Å; E107-G109 PolarHBondContact O-N 2.97Å; E107-T110 PolarHBondContact N-OG1 3.27Å; E107-T110 WeakPolarHBondContact O-CB 3.3Å; E107-T110 PolarHBondContact O-N 3.06Å; E107-T110 VanDerWaalsContact O-N 3.08Å; E107-T110 PolarHBondContact O-OG1 2.85Å
108	D	89.5	Confident	90.3	Very high	67 Å²	67	39.7 Å²	39.7	36%	0.358	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.5	175.2	-85	-16	0	0	0	110.9	H131 L133 T134	D108-H131 WeakPolarHBondContact OD1-CB 3.42Å; D108-L133 HydrophobicContact CB-CB 3.7Å; D108-L133 VanDerWaalsContact OD1-C 3.29Å; D108-L133 PolarHBondContact OD1-N 2.84Å; D108-T134 PolarHBondContact OD1-N 3.33Å; D108-T134 VanDerWaalsContact OD1-N 3.11Å; D108-T134 PolarHBondContact OD1-OG1 3.41Å
109	G	88.1	Confident	90.5	Very high	5 Å²	5	42.2 Å²	42.2	5%	0.052	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	11.1	-174.4	0	0	0	0	0	115.5	E107 F111 E112 L133	E107-G109 PolarHBondContact O-N 2.97Å; G109-F111 PolarHBondContact O-N 3.44Å; G109-F111 VanDerWaalsContact O-N 3.16Å; G109-E112 WeakPolarHBondContact O-CB 3.15Å; G109-E112 PolarHBondContact O-N 3.24Å; G109-L133 PolarHBondContact N-O 3.16Å
110	T	91.4	Very high	90.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-39.1	176.2	-69.6	0	0	0	0	113	I82 G83 F87 I106 E107	I82-T110 HydrophobicContact CB-CG2 4.47Å; I82-T110 HydrophobicContact CD1-CG2 4.04Å; I82-T110 HydrophobicContact CG1-CG2 3.96Å; G83-T110 WeakPolarHBondContact CA-OG1 3.48Å; F87-T110 HydrophobicContact CD2-CG2 3.72Å; F87-T110 HydrophobicContact CE2-CG2 3.62Å; I106-T110 HydrophobicContact CG2-CG2 4.17Å; I106-T110 WeakPolarHBondContact CG2-OG1 3.41Å; E107-T110 PolarHBondContact N-OG1 3.27Å; E107-T110 WeakPolarHBondContact O-CB 3.3Å; E107-T110 PolarHBondContact O-N 3.06Å; E107-T110 VanDerWaalsContact O-N 3.08Å; E107-T110 PolarHBondContact O-OG1 2.85Å
111	F	91.6	Very high	91.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13.4	-177.1	-47.6	-61.5	0	0	0	113.5	I82 F87 L96 L98 I106 G109 D113 L114 L117 L120 T134 L135 K136 A138	I82-F111 HydrophobicContact CD1-CE1 4.39Å; I82-F111 HydrophobicContact CD1-CZ 4.2Å; F87-F111 HydrophobicContact CE2-CE1 4.33Å; L96-F111 HydrophobicContact CD2-CD1 4.3Å; L96-F111 HydrophobicContact CD2-CE1 3.93Å; L98-F111 HydrophobicContact CD1-CE1 4.45Å; I106-F111 HydrophobicContact CG2-CE2 4.15Å; I106-F111 HydrophobicContact CG2-CZ 4.24Å; G109-F111 PolarHBondContact O-N 3.44Å; G109-F111 VanDerWaalsContact O-N 3.16Å; F111-D113 PolarHBondContact O-N 2.85Å; F111-L114 HydrophobicContact CB-CD1 4.42Å; F111-L114 HydrophobicContact CD1-CD1 3.91Å; F111-L114 PolarHBondContact O-N 2.85Å; F111-L114 VanDerWaalsContact O-N 3.07Å; F111-L117 HydrophobicContact CD1-CD2 4.37Å; F111-L120 HydrophobicContact CD2-CD2 4.11Å; F111-L120 HydrophobicContact CE1-CD1 4.06Å; F111-L120 HydrophobicContact CE1-CD2 4.22Å; F111-L120 HydrophobicContact CE2-CD2 3.6Å; F111-L120 HydrophobicContact CZ-CD1 4.04Å; F111-L120 HydrophobicContact CZ-CD2 3.66Å; F111-T134 WeakPolarHBondContact CD2-O 3.31Å; F111-L135 HydrophobicContact CD2-CD2 4.17Å; F111-L135 HydrophobicContact CE2-CD2 4.13Å; F111-K136 CarbonylContact C-O 3.53Å; F111-A138 HydrophobicContact CB-CB 4.34Å
112	E	88.6	Confident	91.6	Very high	70 Å²	70	37.5 Å²	37.5	33%	0.327	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30	-171.4	-166.7	174.6	-138.5	0	0	113.2	K84 G109 K136	K84-E112 IonicContact NZ-OE2 2.8Å; K84-E112 PolarHBondContact NZ-OE2 3.27Å; G109-E112 WeakPolarHBondContact O-CB 3.15Å; G109-E112 PolarHBondContact O-N 3.24Å; E112-K136 VanDerWaalsContact CA-O 3.3Å; E112-K136 WeakPolarHBondContact CA-O 3.31Å; E112-K136 PolarHBondContact N-O 2.94Å; E112-K136 WeakPolarHBondContact OE1-CE 3.32Å; E112-K136 IonicContact OE1-NZ 2.72Å; E112-K136 PolarHBondContact OE1-NZ 2.78Å
113	D	85.9	Confident	91.8	Very high	63 Å²	63	36.7 Å²	36.7	34%	0.337	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.8	-179.9	-59.7	-18.1	0	0	0	113	K84 F111 A115	K84-D113 WeakPolarHBondContact CE-OD1 3.41Å; K84-D113 WeakPolarHBondContact CE-OD2 3.22Å; K84-D113 IonicContact NZ-OD1 3.97Å; K84-D113 PolarHBondContact NZ-OD1 2.01Å; K84-D113 IonicContact NZ-OD2 3.23Å; F111-D113 PolarHBondContact O-N 2.85Å; D113-A115 PolarHBondContact O-N 3.49Å
114	L	89.1	Confident	91.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.209	C	C	.	.			trans	-101.5	54.7	-178.3	-56.6	-178.3	0	0	0	111.7	F87 L90 L93 L96 F111 N116 L117	F87-L114 HydrophobicContact CB-CD1 4.05Å; F87-L114 HydrophobicContact CB-CD2 4.08Å; F87-L114 HydrophobicContact CB-CG 4.29Å; F87-L114 HydrophobicContact CG-CD1 4.26Å; L90-L114 HydrophobicContact CB-CD2 3.97Å; L90-L114 VanDerWaalsContact O-CD2 3.29Å; L90-L114 WeakPolarHBondContact O-CD2 3.41Å; L93-L114 HydrophobicContact CB-CD2 4.23Å; L93-L114 HydrophobicContact CD2-CD1 4.16Å; L93-L114 HydrophobicContact CD2-CD2 4.27Å; L96-L114 HydrophobicContact CD2-CD1 4.16Å; F111-L114 HydrophobicContact CB-CD1 4.42Å; F111-L114 HydrophobicContact CD1-CD1 3.91Å; F111-L114 PolarHBondContact O-N 2.85Å; F111-L114 VanDerWaalsContact O-N 3.07Å; L114-N116 PolarHBondContact O-N 2.94Å; L114-L117 HydrophobicContact CB-CB 3.98Å; L114-L117 HydrophobicContact CB-CD2 4.48Å; L114-L117 HydrophobicContact CD1-CD2 4.16Å; L114-L117 VanDerWaalsContact O-CB 3.23Å; L114-L117 WeakPolarHBondContact O-CB 3.4Å; L114-L117 PolarHBondContact O-N 3.22Å
115	A	85.7	Confident	92.1	Very high	52 Å²	52	38.3 Å²	38.3	43%	0.43	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.7	-172.9	0	0	0	0	0	114.2	D113 E140	D113-A115 PolarHBondContact O-N 3.49Å; A115-E140 WeakPolarHBondContact O-CB 3.38Å; A115-E140 WeakPolarHBondContact O-CG 3.43Å
116	N	91.3	Very high	92.3	Very high	68 Å²	68	34.3 Å²	34.3	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	1.2	179.7	-69.5	-43.5	0	0	0	114.1	S91 L93 T94 L114 K118	S91-N116 PolarHBondContact O-ND2 3.15Å; L93-N116 CarbonylContact O-C 3.53Å; L93-N116 VanDerWaalsContact O-C 3.29Å; T94-N116 WeakPolarHBondContact CA-O 3.31Å; T94-N116 HydrophobicContact CG2-CB 4.48Å; L114-N116 PolarHBondContact O-N 2.94Å; N116-K118 WeakPolarHBondContact O-CG 3.48Å; N116-K118 PolarHBondContact O-N 3.02Å; N116-K118 VanDerWaalsContact O-N 3.11Å
117	L	94.7	Very high	92.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.			trans	-67.6	110.1	-175.2	-172.4	69.5	0	0	0	110.8	L93 L96 F111 L114 M119 L120 E140 L141	L93-L117 HydrophobicContact CD2-CD1 4.43Å; L93-L117 HydrophobicContact CG-CD1 4.38Å; L93-L117 VanDerWaalsContact O-CA 3.28Å; L93-L117 WeakPolarHBondContact O-CA 3.49Å; L93-L117 PolarHBondContact O-N 3.19Å; L96-L117 HydrophobicContact CB-CD1 3.66Å; F111-L117 HydrophobicContact CD1-CD2 4.37Å; L114-L117 HydrophobicContact CB-CB 3.98Å; L114-L117 HydrophobicContact CB-CD2 4.48Å; L114-L117 HydrophobicContact CD1-CD2 4.16Å; L114-L117 VanDerWaalsContact O-CB 3.23Å; L114-L117 WeakPolarHBondContact O-CB 3.4Å; L114-L117 PolarHBondContact O-N 3.22Å; L117-M119 WeakPolarHBondContact CD1-O 3.43Å; L117-L120 HydrophobicContact CD2-CB 4.25Å; L117-L120 HydrophobicContact CD2-CD1 4.43Å; L117-E140 CarbonylContact O-C 3.58Å; L117-L141 HydrophobicContact CG-CD1 4.39Å; L117-L141 WeakPolarHBondContact O-CA 3.17Å; L117-L141 PolarHBondContact O-N 3.13Å
118	K	95.6	Very high	92.6	Very high	88 Å²	88	32.3 Å²	32.3	38%	0.383	18%	0.177	S	C	.	.			trans	-98.1	-26.6	179.7	-62.7	-170.3	172.2	-150.7	0	113.9	T94 N116 E140 E142 N143	T94-K118 WeakPolarHBondContact O-CA 3.26Å; T94-K118 PolarHBondContact O-N 3.4Å; N116-K118 WeakPolarHBondContact O-CG 3.48Å; N116-K118 PolarHBondContact O-N 3.02Å; N116-K118 VanDerWaalsContact O-N 3.11Å; K118-E140 WeakPolarHBondContact CA-O 3.14Å; K118-E140 HydrophobicContact CG-CB 4.42Å; K118-E142 IonicContact NZ-OE1 3.69Å; K118-E142 PolarHBondContact NZ-OE1 3.49Å; K118-E142 WeakPolarHBondContact O-CA 3.46Å; K118-E142 PolarHBondContact O-N 3.11Å; K118-N143 PolarHBondContact O-N 3.32Å
119	M	96.7	Very high	92.8	Very high	53 Å²	53	31 Å²	31	26%	0.261	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.8	179.4	-179.2	177.6	-75.7	0	0	110.9	T94 A95 L96 L117 N143 F145	T94-M119 PolarHBondContact O-N 3.38Å; A95-M119 WeakPolarHBondContact CA-O 3.25Å; A95-M119 HydrophobicContact CB-CB 4.11Å; L96-M119 PolarHBondContact N-O 3.46Å; L117-M119 WeakPolarHBondContact CD1-O 3.43Å; M119-N143 WeakPolarHBondContact CA-O 3.42Å; M119-N143 HydrophobicContact CB-CB 4.4Å; M119-N143 HydrophobicContact CE-CB 4.09Å; M119-N143 HydrophobicContact CG-CB 4.21Å; M119-F145 HydrophobicContact CE-CE2 3.95Å; M119-F145 HydrophobicContact CE-CZ 4.32Å; M119-F145 HydrophobicContact CG-CD2 4.45Å; M119-F145 HydrophobicContact CG-CE2 3.95Å; M119-F145 HydrophobicContact SD-CE2 4.02Å
120	L	96.8	Very high	93	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.4	174.4	178.6	59.9	0	0	0	109.2	L96 L98 F111 L117 L122 L135 L141 N143 L144 F145	L96-L120 HydrophobicContact CB-CD1 4.1Å; L96-L120 HydrophobicContact CD2-CD1 4.09Å; L96-L120 HydrophobicContact CG-CD1 4.1Å; L96-L120 WeakPolarHBondContact O-CA 3.37Å; L98-L120 HydrophobicContact CD1-CD1 4.18Å; F111-L120 HydrophobicContact CD2-CD2 4.11Å; F111-L120 HydrophobicContact CE1-CD1 4.06Å; F111-L120 HydrophobicContact CE1-CD2 4.22Å; F111-L120 HydrophobicContact CE2-CD2 3.6Å; F111-L120 HydrophobicContact CZ-CD1 4.04Å; F111-L120 HydrophobicContact CZ-CD2 3.66Å; L117-L120 HydrophobicContact CD2-CB 4.25Å; L117-L120 HydrophobicContact CD2-CD1 4.43Å; L120-L122 HydrophobicContact CD1-CD2 4.49Å; L120-L122 HydrophobicContact CD1-CG 4.21Å; L120-L122 HydrophobicContact CD2-CD1 3.91Å; L120-L122 HydrophobicContact CD2-CG 4.33Å; L120-L122 HydrophobicContact CG-CD1 4.14Å; L120-L122 HydrophobicContact CG-CG 4.03Å; L120-L135 HydrophobicContact CD2-CD2 3.82Å; L120-L141 HydrophobicContact CB-CD1 3.64Å; L120-N143 PolarHBondContact N-O 3.43Å; L120-L144 HydrophobicContact CB-CD1 4.01Å; L120-L144 HydrophobicContact CD2-CD1 3.97Å; L120-L144 HydrophobicContact CG-CD1 4Å; L120-L144 WeakPolarHBondContact O-CA 3.47Å; L120-F145 PolarHBondContact O-N 3.21Å
121	N	96.3	Very high	93	Very high	27 Å²	27	34.7 Å²	34.7	14%	0.144	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.8	175.4	-171.1	-10	0	0	0	110.7	L96 L98 S99 S123 F145	L96-N121 PolarHBondContact O-N 2.96Å; L98-N121 PolarHBondContact N-O 3.5Å; S99-N121 VanDerWaalsContact OG-CG 3.24Å; S99-N121 PolarHBondContact OG-ND2 3.46Å; S99-N121 PolarHBondContact OG-OD1 3.36Å; N121-S123 VanDerWaalsContact OD1-CB 3.23Å; N121-S123 WeakPolarHBondContact OD1-CB 3.41Å; N121-S123 PolarHBondContact OD1-N 3.49Å; N121-S123 PolarHBondContact OD1-OG 3.1Å; N121-F145 HydrophobicContact CB-CB 4.27Å; N121-F145 HydrophobicContact CB-CD2 4.15Å
122	L	96	Very high	93	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.207	C	C	.	.			trans	-110.8	15.1	178.9	-72.1	169.4	0	0	0	112	L98 L103 I106 L120 N125 L127 L144 F145 L146 N149	L98-L122 HydrophobicContact CB-CD2 4.03Å; L98-L122 HydrophobicContact CD1-CD2 3.7Å; L98-L122 HydrophobicContact CG-CD2 4.49Å; L103-L122 HydrophobicContact CD1-CD2 4.48Å; I106-L122 HydrophobicContact CD1-CD1 3.71Å; I106-L122 HydrophobicContact CD1-CD2 3.71Å; I106-L122 HydrophobicContact CD1-CG 4.38Å; L120-L122 HydrophobicContact CD1-CD2 4.49Å; L120-L122 HydrophobicContact CD1-CG 4.21Å; L120-L122 HydrophobicContact CD2-CD1 3.91Å; L120-L122 HydrophobicContact CD2-CG 4.33Å; L120-L122 HydrophobicContact CG-CD1 4.14Å; L120-L122 HydrophobicContact CG-CG 4.03Å; L122-N125 PolarHBondContact O-ND2 3.14Å; L122-L127 HydrophobicContact CB-CD1 4.18Å; L122-L127 HydrophobicContact CD1-CD1 4.31Å; L122-L144 HydrophobicContact CD1-CD1 4.48Å; L122-F145 WeakPolarHBondContact CA-O 3.22Å; L122-F145 PolarHBondContact N-O 3.36Å; L122-L146 HydrophobicContact CB-CD2 3.9Å; L122-L146 HydrophobicContact CD1-CD2 3.95Å; L122-N149 PolarHBondContact O-ND2 3.12Å
123	S	95.1	Very high	93.2	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.028	21%	0.208	C	C	.	.			trans	-67	155.6	-174.4	-48.5	0	0	0	0	113.6	S99 F100 N121 N125 F145 N147	S99-S123 WeakPolarHBondContact CA-O 3.25Å; S99-S123 WeakPolarHBondContact CB-O 2.96Å; S99-S123 PolarHBondContact OG-O 2.98Å; F100-S123 PolarHBondContact N-O 3.28Å; N121-S123 VanDerWaalsContact OD1-CB 3.23Å; N121-S123 WeakPolarHBondContact OD1-CB 3.41Å; N121-S123 PolarHBondContact OD1-N 3.49Å; N121-S123 PolarHBondContact OD1-OG 3.1Å; S123-N125 PolarHBondContact O-ND2 3.32Å; S123-F145 WeakPolarHBondContact OG-CB 3.48Å; S123-N147 CarbonylContact C-O 3.53Å; S123-N147 WeakPolarHBondContact CA-O 3.4Å; S123-N147 VanDerWaalsContact CB-O 3.3Å; S123-N147 WeakPolarHBondContact CB-O 3.29Å; S123-N147 PolarHBondContact OG-N 3.29Å
124	H	94.1	Very high	93.4	Very high	72 Å²	72	36 Å²	36	33%	0.333	19%	0.193	S	C	.	.	S	Bend	trans	58.8	50.4	179.7	-51.6	-78.4	0	0	0	113.6	F100 N147 D148	F100-H124 WeakPolarHBondContact CA-O 3.43Å; F100-H124 HydrophobicContact CD1-CB 3.43Å; F100-H124 VanDerWaalsContact CD1-CB 3.43Å; F100-H124 AromaticContact CD1-CG 3.83Å; F100-H124 HydrophobicContact CD2-CB 4.11Å; F100-H124 HydrophobicContact CE1-CB 3.47Å; F100-H124 VanDerWaalsContact CE1-CB 3.47Å; F100-H124 AromaticContact CE1-CD2 3.62Å; F100-H124 AromaticContact CE1-CG 3.29Å; F100-H124 AromaticContact CE1-ND1 3.63Å; F100-H124 HydrophobicContact CE2-CB 4.13Å; F100-H124 AromaticContact CE2-CD2 3.33Å; F100-H124 WeakPolarHBondContact CE2-CD2 3.44Å; F100-H124 AromaticContact CE2-CG 3.83Å; F100-H124 AromaticContact CE2-NE2 3.98Å; F100-H124 HydrophobicContact CG-CB 3.77Å; F100-H124 HydrophobicContact CZ-CB 3.84Å; F100-H124 AromaticContact CZ-CD2 3.07Å; F100-H124 WeakPolarHBondContact CZ-CD2 3.18Å; F100-H124 AromaticContact CZ-CE1 3.84Å; F100-H124 AromaticContact CZ-CG 3.3Å; F100-H124 AromaticContact CZ-ND1 3.76Å; F100-H124 AromaticContact CZ-NE2 3.42Å; F100-H124 WeakPolarHBondContact CZ-NE2 3.32Å; F100-H124 PolarHBondContact N-O 3.36Å; H124-N147 PolarHBondContact N-O 3.25Å; H124-D148 WeakPolarHBondContact CA-O 3.29Å; H124-D148 IonicContact CE1-OD2 3.15Å; H124-D148 PolarHBondContact CE1-OD2 3.28Å; H124-D148 PolarHBondContact N-O 2.8Å; H124-D148 WeakPolarHBondContact ND1-CB 3.45Å; H124-D148 IonicContact ND1-OD2 2.79Å; H124-D148 IonicContact NE2-OD2 2.82Å
125	N	94.3	Very high	93.5	Very high	8 Å²	8	36 Å²	36	4%	0.043	19%	0.193	C	C	.	.	S	Bend	trans	-126.8	-171.7	175.6	-76.3	-60.1	0	0	0	110.1	L98 N101 G102 L103 L122 S123 L127 D148 N149	L98-N125 PolarHBondContact O-ND2 3.16Å; N101-N125 WeakPolarHBondContact CA-OD1 3.46Å; N101-N125 WeakPolarHBondContact CB-OD1 2.85Å; N101-N125 PolarHBondContact N-OD1 2.98Å; G102-N125 PolarHBondContact N-OD1 3.31Å; L103-N125 HydrophobicContact CB-CB 3.85Å; L103-N125 WeakPolarHBondContact CB-OD1 3.41Å; L103-N125 PolarHBondContact N-OD1 3.45Å; L122-N125 PolarHBondContact O-ND2 3.14Å; S123-N125 PolarHBondContact O-ND2 3.32Å; N125-L127 HydrophobicContact CB-CG 4.36Å; N125-D148 PolarHBondContact N-O 3.19Å; N125-N149 WeakPolarHBondContact CA-OD1 3.35Å; N125-N149 WeakPolarHBondContact CB-OD1 3.26Å; N125-N149 WeakPolarHBondContact O-CA 3.35Å; N125-N149 PolarHBondContact O-OD1 3.38Å
126	S	95	Very high	93.7	Very high	34 Å²	34	37.6 Å²	37.6	24%	0.238	19%	0.19	C	C	.	.			trans	-114.7	33.4	179.5	-66.6	0	0	0	0	110.9	L103 T128 E150	L103-S126 CarbonylContact O-C 3.57Å; L103-S126 WeakPolarHBondContact O-CA 3.31Å; L103-S126 PolarHBondContact O-N 3.41Å; S126-T128 PolarHBondContact O-N 3.48Å; S126-E150 WeakPolarHBondContact CB-OE1 3.41Å; S126-E150 PolarHBondContact OG-OE1 3.2Å; S126-E150 VanDerWaalsContact OG-OE1 3.08Å
127	L	94.9	Very high	93.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	18%	0.181	C	C	.	.			trans	-68.8	130.1	178	-60.8	172.6	0	0	0	108.8	L103 I106 L122 N125 I130 N149 E150 L151	L103-L127 HydrophobicContact CB-CD2 4.38Å; L103-L127 WeakPolarHBondContact O-CD2 3.47Å; L103-L127 PolarHBondContact O-N 2.88Å; L103-L127 VanDerWaalsContact O-N 3.12Å; I106-L127 HydrophobicContact CD1-CD1 3.92Å; I106-L127 HydrophobicContact CD1-CD2 4.02Å; I106-L127 HydrophobicContact CG1-CD2 3.91Å; L122-L127 HydrophobicContact CB-CD1 4.18Å; L122-L127 HydrophobicContact CD1-CD1 4.31Å; N125-L127 HydrophobicContact CB-CG 4.36Å; L127-I130 HydrophobicContact CD1-CD1 4.11Å; L127-N149 HydrophobicContact CB-CB 4.44Å; L127-N149 VanDerWaalsContact CB-OD1 3.31Å; L127-N149 WeakPolarHBondContact CB-OD1 3.27Å; L127-N149 WeakPolarHBondContact CG-OD1 3.39Å; L127-N149 PolarHBondContact N-OD1 3.3Å; L127-N149 VanDerWaalsContact N-OD1 3.16Å; L127-E150 CarbonylContact O-C 3.55Å; L127-E150 WeakPolarHBondContact O-CA 2.81Å; L127-E150 PolarHBondContact O-N 3.15Å; L127-E150 VanDerWaalsContact O-N 3.08Å; L127-L151 HydrophobicContact CB-CD2 3.94Å; L127-L151 WeakPolarHBondContact O-CA 3.45Å; L127-L151 WeakPolarHBondContact O-CD2 3.37Å; L127-L151 PolarHBondContact O-N 3.09Å
128	T	93.7	Very high	93	Very high	61 Å²	61	35.1 Å²	35.1	37%	0.374	18%	0.181	S	C	.	.			trans	-107	-24.9	-179.4	53.1	0	0	0	0	113.3	S126 E150 R152 T153	S126-T128 PolarHBondContact O-N 3.48Å; T128-E150 WeakPolarHBondContact CA-O 3.44Å; T128-E150 HydrophobicContact CG2-CB 4.11Å; T128-R152 PolarHBondContact O-N 2.85Å; T128-T153 PolarHBondContact O-N 3.36Å
129	T	93	Very high	92.7	Very high	39 Å²	39	34.1 Å²	34.1	24%	0.239	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.9	175.4	-80	0	0	0	0	109.5	T153	T129-T153 VanDerWaalsContact CA-O 3.32Å; T129-T153 WeakPolarHBondContact CA-O 3.39Å; T129-T153 PolarHBondContact OG1-OG1 3.3Å
130	I	93.8	Very high	92.6	Very high	5 Å²	5	34 Å²	34	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117	161.5	-50.8	-59.8	0	0	0	107.6	L127 T134 L146 L151 T153 V154 H155 T158	L127-I130 HydrophobicContact CD1-CD1 4.11Å; I130-T134 HydrophobicContact CG2-CG2 4.08Å; I130-L146 HydrophobicContact CD1-CD2 3.97Å; I130-L146 HydrophobicContact CG1-CD1 4.4Å; I130-L146 HydrophobicContact CG1-CD2 4.46Å; I130-L151 HydrophobicContact CD1-CD2 3.89Å; I130-L151 HydrophobicContact CG1-CD1 4.45Å; I130-L151 HydrophobicContact CG1-CD2 3.85Å; I130-T153 PolarHBondContact N-O 2.98Å; I130-V154 HydrophobicContact CB-CG1 4.35Å; I130-V154 HydrophobicContact CG1-CG2 4.49Å; I130-H155 PolarHBondContact O-N 3.3Å; I130-T158 HydrophobicContact CB-CG2 4.23Å; I130-T158 HydrophobicContact CG2-CG2 3.38Å; I130-T158 PolarHBondContact O-OG1 3.19Å
131	H	91.3	Very high	92.5	Very high	80 Å²	80	34 Å²	34	37%	0.37	18%	0.181	S	C	.	.			trans	-80.1	171	-175.5	-65.5	-83.6	0	0	0	111.7	D108 L133 T134 T158	D108-H131 WeakPolarHBondContact OD1-CB 3.42Å; H131-L133 VanDerWaalsContact C-N 3.33Å; H131-L133 PolarHBondContact O-N 2.88Å; H131-T134 WeakPolarHBondContact CA-OG1 3.32Å; H131-T134 WeakPolarHBondContact CB-OG1 3.2Å; H131-T134 PolarHBondContact N-OG1 2.98Å; H131-T134 PolarHBondContact O-N 3.18Å; H131-T134 PolarHBondContact O-OG1 2.99Å; H131-T158 PolarHBondContact O-OG1 3.29Å; H131-T158 VanDerWaalsContact O-OG1 3.05Å
132	E	90.9	Very high	92.5	Very high	90 Å²	90	34.8 Å²	34.8	42%	0.421	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-45.8	-177.3	-174.5	179.7	157.7	0	0	112.7	H155 D157	E132-H155 HydrophobicContact CB-CB 4.46Å; E132-H155 WeakPolarHBondContact CB-ND1 3.09Å; E132-H155 IonicContact OE2-CE1 2.74Å; E132-H155 PolarHBondContact OE2-CE1 3.31Å; E132-D157 HydrophobicContact CG-CB 4.01Å
133	L	92.2	Very high	92.4	Very high	67 Å²	67	36.5 Å²	36.5	35%	0.351	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	10.7	-170.8	-54.4	176.1	0	0	0	112.5	D108 G109 H131 L135 K136	D108-L133 HydrophobicContact CB-CB 3.7Å; D108-L133 VanDerWaalsContact OD1-C 3.29Å; D108-L133 PolarHBondContact OD1-N 2.84Å; G109-L133 PolarHBondContact N-O 3.16Å; H131-L133 VanDerWaalsContact C-N 3.33Å; H131-L133 PolarHBondContact O-N 2.88Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-L135 PolarHBondContact O-N 2.84Å; L133-K136 HydrophobicContact CB-CB 4.24Å; L133-K136 HydrophobicContact CB-CD 4.45Å; L133-K136 HydrophobicContact CD2-CD 4.22Å; L133-K136 WeakPolarHBondContact O-CB 3.26Å; L133-K136 PolarHBondContact O-N 3.38Å; L133-K136 VanDerWaalsContact O-N 3.16Å
134	T	91.5	Very high	92.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-42.6	-179.3	-58.4	0	0	0	0	111.7	I106 D108 F111 I130 H131	I106-T134 HydrophobicContact CB-CG2 3.9Å; I106-T134 HydrophobicContact CD1-CG2 4.27Å; I106-T134 HydrophobicContact CG2-CG2 3.7Å; D108-T134 PolarHBondContact OD1-N 3.33Å; D108-T134 VanDerWaalsContact OD1-N 3.11Å; D108-T134 PolarHBondContact OD1-OG1 3.41Å; F111-T134 WeakPolarHBondContact CD2-O 3.31Å; I130-T134 HydrophobicContact CG2-CG2 4.08Å; H131-T134 WeakPolarHBondContact CA-OG1 3.32Å; H131-T134 WeakPolarHBondContact CB-OG1 3.2Å; H131-T134 PolarHBondContact N-OG1 2.98Å; H131-T134 PolarHBondContact O-N 3.18Å; H131-T134 PolarHBondContact O-OG1 2.99Å
135	L	91.5	Very high	92.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	15.4	178.5	-59.3	178.2	0	0	0	113.3	F111 L120 L133 G137 A138 L141 L144 T158 F159 S161 T162	F111-L135 HydrophobicContact CD2-CD2 4.17Å; F111-L135 HydrophobicContact CE2-CD2 4.13Å; L120-L135 HydrophobicContact CD2-CD2 3.82Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-L135 PolarHBondContact O-N 2.84Å; L135-G137 PolarHBondContact O-N 2.98Å; L135-A138 PolarHBondContact O-N 3.18Å; L135-L141 HydrophobicContact CD2-CD2 4.36Å; L135-L144 HydrophobicContact CD1-CD2 3.75Å; L135-T158 HydrophobicContact CD1-CG2 3.88Å; L135-T158 HydrophobicContact CG-CG2 4.36Å; L135-F159 HydrophobicContact CD1-CD1 3.99Å; L135-F159 HydrophobicContact CD1-CE1 3.96Å; L135-S161 PolarHBondContact O-OG 3.46Å; L135-T162 HydrophobicContact CB-CG2 3.82Å; L135-T162 HydrophobicContact CD1-CG2 4.08Å
136	K	89.2	Confident	92.7	Very high	84 Å²	84	34.4 Å²	34.4	37%	0.365	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	127.6	-179.7	-168.4	-167	-175.7	-154.9	0	110	F111 E112 L133	F111-K136 CarbonylContact C-O 3.53Å; E112-K136 VanDerWaalsContact CA-O 3.3Å; E112-K136 WeakPolarHBondContact CA-O 3.31Å; E112-K136 PolarHBondContact N-O 2.94Å; E112-K136 WeakPolarHBondContact OE1-CE 3.32Å; E112-K136 IonicContact OE1-NZ 2.72Å; E112-K136 PolarHBondContact OE1-NZ 2.78Å; L133-K136 HydrophobicContact CB-CB 4.24Å; L133-K136 HydrophobicContact CB-CD 4.45Å; L133-K136 HydrophobicContact CD2-CD 4.22Å; L133-K136 WeakPolarHBondContact O-CB 3.26Å; L133-K136 PolarHBondContact O-N 3.38Å; L133-K136 VanDerWaalsContact O-N 3.16Å
137	G	82.3	Confident	92.7	Very high	16 Å²	16	33.6 Å²	33.6	17%	0.165	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-6.3	179.1	0	0	0	0	0	116	L135 V139	L135-G137 PolarHBondContact O-N 2.98Å; G137-V139 VanDerWaalsContact O-CG2 3.26Å; G137-V139 WeakPolarHBondContact O-CG2 3.47Å; G137-V139 PolarHBondContact O-N 3.27Å
138	A	88.5	Confident	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.			trans	-77.4	53.9	169.7	0	0	0	0	0	111.4	F111 L135 E140 L141 T162	F111-A138 HydrophobicContact CB-CB 4.34Å; L135-A138 PolarHBondContact O-N 3.18Å; A138-E140 PolarHBondContact O-N 3.33Å; A138-L141 HydrophobicContact CB-CB 4.01Å; A138-L141 HydrophobicContact CB-CD2 4.34Å; A138-L141 WeakPolarHBondContact O-CB 3.18Å; A138-L141 PolarHBondContact O-N 3.03Å; A138-L141 VanDerWaalsContact O-N 3.08Å; A138-T162 HydrophobicContact CB-CG2 4.42Å
139	V	89.6	Confident	92.6	Very high	68 Å²	68	33.7 Å²	33.7	41%	0.412	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.7	-168	-145.4	0	0	0	0	112.4	G137 P163	G137-V139 VanDerWaalsContact O-CG2 3.26Å; G137-V139 WeakPolarHBondContact O-CG2 3.47Å; G137-V139 PolarHBondContact O-N 3.27Å; V139-P163 HydrophobicContact CG1-CG 3.87Å
140	E	93.8	Very high	92.7	Very high	51 Å²	51	36.3 Å²	36.3	24%	0.238	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.1	178.3	-65.4	-65.7	128.9	0	0	113.6	A115 L117 K118 A138 E142 K164	A115-E140 WeakPolarHBondContact O-CB 3.38Å; A115-E140 WeakPolarHBondContact O-CG 3.43Å; L117-E140 CarbonylContact O-C 3.58Å; K118-E140 WeakPolarHBondContact CA-O 3.14Å; K118-E140 HydrophobicContact CG-CB 4.42Å; A138-E140 PolarHBondContact O-N 3.33Å; E140-E142 WeakPolarHBondContact O-CG 3.33Å; E140-E142 PolarHBondContact O-N 2.92Å; E140-E142 VanDerWaalsContact O-N 3.08Å; E140-K164 WeakPolarHBondContact OE1-CE 3.49Å; E140-K164 IonicContact OE1-NZ 3.76Å; E140-K164 PolarHBondContact OE1-NZ 3.01Å; E140-K164 WeakPolarHBondContact OE2-CD 3.17Å; E140-K164 IonicContact OE2-NZ 3Å; E140-K164 PolarHBondContact OE2-NZ 2.82Å
141	L	95.1	Very high	92.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.			trans	-65	112.4	-175.9	-171.9	69.5	0	0	0	110.8	L117 L120 L135 A138 L144 T162 K164 L165	L117-L141 HydrophobicContact CG-CD1 4.39Å; L117-L141 WeakPolarHBondContact O-CA 3.17Å; L117-L141 PolarHBondContact O-N 3.13Å; L120-L141 HydrophobicContact CB-CD1 3.64Å; L135-L141 HydrophobicContact CD2-CD2 4.36Å; A138-L141 HydrophobicContact CB-CB 4.01Å; A138-L141 HydrophobicContact CB-CD2 4.34Å; A138-L141 WeakPolarHBondContact O-CB 3.18Å; A138-L141 PolarHBondContact O-N 3.03Å; A138-L141 VanDerWaalsContact O-N 3.08Å; L141-L144 HydrophobicContact CD2-CB 4.26Å; L141-L144 HydrophobicContact CD2-CD1 4.43Å; L141-T162 HydrophobicContact CB-CG2 4.25Å; L141-T162 HydrophobicContact CD2-CG2 4Å; L141-K164 CarbonylContact O-C 3.41Å; L141-L165 HydrophobicContact CD2-CD1 4.47Å; L141-L165 HydrophobicContact CG-CD1 4.37Å; L141-L165 WeakPolarHBondContact O-CA 3.48Å; L141-L165 PolarHBondContact O-N 2.86Å
142	E	96	Very high	92.8	Very high	42 Å²	42	38.5 Å²	38.5	20%	0.196	19%	0.187	C	C	.	.			trans	-97.5	-35.5	179.9	-63.1	-176.1	-142.5	0	0	111.5	K118 E140 K164 R166 Q167	K118-E142 IonicContact NZ-OE1 3.69Å; K118-E142 PolarHBondContact NZ-OE1 3.49Å; K118-E142 WeakPolarHBondContact O-CA 3.46Å; K118-E142 PolarHBondContact O-N 3.11Å; E140-E142 WeakPolarHBondContact O-CG 3.33Å; E140-E142 PolarHBondContact O-N 2.92Å; E140-E142 VanDerWaalsContact O-N 3.08Å; E142-K164 WeakPolarHBondContact CA-O 3.44Å; E142-K164 HydrophobicContact CG-CB 4.38Å; E142-R166 PolarHBondContact O-N 3.27Å; E142-R166 IonicContact OE2-NH1 3.36Å; E142-Q167 PolarHBondContact O-N 3.03Å
143	N	95.5	Very high	93	Very high	38 Å²	38	37 Å²	37	20%	0.203	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.5	-175.2	-55.6	-46.6	0	0	0	111.8	K118 M119 L120 F145 Q167	K118-N143 PolarHBondContact O-N 3.32Å; M119-N143 WeakPolarHBondContact CA-O 3.42Å; M119-N143 HydrophobicContact CB-CB 4.4Å; M119-N143 HydrophobicContact CE-CB 4.09Å; M119-N143 HydrophobicContact CG-CB 4.21Å; L120-N143 PolarHBondContact N-O 3.43Å; N143-F145 HydrophobicContact CB-CE2 3.96Å; N143-F145 HydrophobicContact CB-CZ 4.38Å; N143-Q167 WeakPolarHBondContact CA-O 3.25Å; N143-Q167 WeakPolarHBondContact OD1-CB 3.41Å
144	L	96.8	Very high	93.2	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.2	176	179.1	61.5	0	0	0	110.9	L120 L122 L135 L141 L146 F159 L165 Q167 L168 D169	L120-L144 HydrophobicContact CB-CD1 4.01Å; L120-L144 HydrophobicContact CD2-CD1 3.97Å; L120-L144 HydrophobicContact CG-CD1 4Å; L120-L144 WeakPolarHBondContact O-CA 3.47Å; L122-L144 HydrophobicContact CD1-CD1 4.48Å; L135-L144 HydrophobicContact CD1-CD2 3.75Å; L141-L144 HydrophobicContact CD2-CB 4.26Å; L141-L144 HydrophobicContact CD2-CD1 4.43Å; L144-L146 HydrophobicContact CD1-CG 4.3Å; L144-L146 HydrophobicContact CD2-CD1 3.89Å; L144-L146 HydrophobicContact CD2-CG 4.32Å; L144-L146 HydrophobicContact CG-CD1 4.16Å; L144-L146 HydrophobicContact CG-CG 4.06Å; L144-F159 HydrophobicContact CD2-CE1 3.73Å; L144-L165 HydrophobicContact CB-CD1 3.74Å; L144-Q167 PolarHBondContact N-O 3.36Å; L144-L168 HydrophobicContact CB-CD1 3.98Å; L144-L168 HydrophobicContact CD2-CD1 3.81Å; L144-L168 HydrophobicContact CG-CD1 3.93Å; L144-L168 WeakPolarHBondContact O-CA 3.43Å; L144-D169 PolarHBondContact O-N 3.26Å
145	F	97	Very high	93.3	Very high	36 Å²	36	37 Å²	37	16%	0.158	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.9	176.5	-52.8	-94.7	0	0	0	110.2	M119 L120 N121 L122 S123 N143 D169	M119-F145 HydrophobicContact CE-CE2 3.95Å; M119-F145 HydrophobicContact CE-CZ 4.32Å; M119-F145 HydrophobicContact CG-CD2 4.45Å; M119-F145 HydrophobicContact CG-CE2 3.95Å; M119-F145 HydrophobicContact SD-CE2 4.02Å; L120-F145 PolarHBondContact O-N 3.21Å; N121-F145 HydrophobicContact CB-CB 4.27Å; N121-F145 HydrophobicContact CB-CD2 4.15Å; L122-F145 WeakPolarHBondContact CA-O 3.22Å; L122-F145 PolarHBondContact N-O 3.36Å; S123-F145 WeakPolarHBondContact OG-CB 3.48Å; N143-F145 HydrophobicContact CB-CE2 3.96Å; N143-F145 HydrophobicContact CB-CZ 4.38Å; F145-D169 CarbonylContact C-O 3.54Å; F145-D169 HydrophobicContact CD1-CB 3.72Å; F145-D169 HydrophobicContact CE1-CB 4.32Å
146	L	95.9	Very high	93.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.198	C	C	.	.			trans	-127.5	20.8	-176.3	-71.9	170.2	0	0	0	111.6	L122 I130 L144 N149 L151 L168 D169 I170 N173	L122-L146 HydrophobicContact CB-CD2 3.9Å; L122-L146 HydrophobicContact CD1-CD2 3.95Å; I130-L146 HydrophobicContact CD1-CD2 3.97Å; I130-L146 HydrophobicContact CG1-CD1 4.4Å; I130-L146 HydrophobicContact CG1-CD2 4.46Å; L144-L146 HydrophobicContact CD1-CG 4.3Å; L144-L146 HydrophobicContact CD2-CD1 3.89Å; L144-L146 HydrophobicContact CD2-CG 4.32Å; L144-L146 HydrophobicContact CG-CD1 4.16Å; L144-L146 HydrophobicContact CG-CG 4.06Å; L146-N149 PolarHBondContact O-ND2 2.82Å; L146-L151 HydrophobicContact CB-CD1 4.12Å; L146-L151 HydrophobicContact CD1-CD1 4.34Å; L146-L151 HydrophobicContact CD2-CD1 4.49Å; L146-L168 HydrophobicContact CD1-CD1 4.21Å; L146-D169 PolarHBondContact N-O 2.69Å; L146-I170 HydrophobicContact CB-CB 4.29Å; L146-I170 HydrophobicContact CB-CD1 4.33Å; L146-I170 HydrophobicContact CB-CG1 3.91Å; L146-I170 HydrophobicContact CD1-CD1 3.96Å; L146-I170 HydrophobicContact CD1-CG1 4.43Å; L146-N173 PolarHBondContact O-ND2 2.73Å
147	N	93.5	Very high	93.6	Very high	17 Å²	17	37.8 Å²	37.8	9%	0.091	19%	0.193	C	C	.	.			trans	-64.9	152	-173.9	-57.4	-34.8	0	0	0	112	S123 H124 N149 D169 I170 R171	S123-N147 CarbonylContact C-O 3.53Å; S123-N147 WeakPolarHBondContact CA-O 3.4Å; S123-N147 VanDerWaalsContact CB-O 3.3Å; S123-N147 WeakPolarHBondContact CB-O 3.29Å; S123-N147 PolarHBondContact OG-N 3.29Å; H124-N147 PolarHBondContact N-O 3.25Å; N147-N149 VanDerWaalsContact C-N 3.3Å; N147-N149 PolarHBondContact O-N 3.14Å; N147-N149 PolarHBondContact O-ND2 3.11Å; N147-D169 PolarHBondContact ND2-OD2 2.95Å; N147-D169 PolarHBondContact OD1-O 2.97Å; N147-D169 PolarHBondContact OD1-OD1 3.28Å; N147-I170 PolarHBondContact OD1-N 2.75Å; N147-R171 CarbonylContact C-O 3.24Å; N147-R171 WeakPolarHBondContact CA-O 3.4Å; N147-R171 PolarHBondContact OD1-N 2.82Å
148	D	93.8	Very high	94.1	Very high	54 Å²	54	37 Å²	37	29%	0.289	19%	0.186	S	C	.	.	S	Bend	trans	53.7	46.1	171	-55.3	-82.9	0	0	0	112.8	H124 N125 R171 N172	H124-D148 WeakPolarHBondContact CA-O 3.29Å; H124-D148 IonicContact CE1-OD2 3.15Å; H124-D148 PolarHBondContact CE1-OD2 3.28Å; H124-D148 PolarHBondContact N-O 2.8Å; H124-D148 WeakPolarHBondContact ND1-CB 3.45Å; H124-D148 IonicContact ND1-OD2 2.79Å; H124-D148 IonicContact NE2-OD2 2.82Å; N125-D148 PolarHBondContact N-O 3.19Å; D148-R171 PolarHBondContact N-O 2.99Å; D148-N172 WeakPolarHBondContact CA-O 3.36Å; D148-N172 HydrophobicContact CB-CB 4.48Å; D148-N172 VanDerWaalsContact OD1-CB 3.23Å; D148-N172 WeakPolarHBondContact OD1-CB 3.38Å; D148-N172 PolarHBondContact OD1-ND2 3.37Å
149	N	94	Very high	94.3	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.059	19%	0.186	C	C	.	.	S	Bend	trans	-105.9	-172.4	169.1	-85.8	-89.1	0	0	0	109.9	L122 N125 L127 L146 N147 L151 N173	L122-N149 PolarHBondContact O-ND2 3.12Å; N125-N149 WeakPolarHBondContact CA-OD1 3.35Å; N125-N149 WeakPolarHBondContact CB-OD1 3.26Å; N125-N149 WeakPolarHBondContact O-CA 3.35Å; N125-N149 PolarHBondContact O-OD1 3.38Å; L127-N149 HydrophobicContact CB-CB 4.44Å; L127-N149 VanDerWaalsContact CB-OD1 3.31Å; L127-N149 WeakPolarHBondContact CB-OD1 3.27Å; L127-N149 WeakPolarHBondContact CG-OD1 3.39Å; L127-N149 PolarHBondContact N-OD1 3.3Å; L127-N149 VanDerWaalsContact N-OD1 3.16Å; L146-N149 PolarHBondContact O-ND2 2.82Å; N147-N149 VanDerWaalsContact C-N 3.3Å; N147-N149 PolarHBondContact O-N 3.14Å; N147-N149 PolarHBondContact O-ND2 3.11Å; N149-L151 HydrophobicContact CB-CD1 4.43Å; N149-L151 HydrophobicContact CB-CG 3.94Å; N149-N173 WeakPolarHBondContact CA-OD1 3.38Å; N149-N173 WeakPolarHBondContact CB-OD1 3.42Å; N149-N173 PolarHBondContact N-OD1 3.39Å; N149-N173 PolarHBondContact O-OD1 3.11Å
150	E	93.9	Very high	94.4	Very high	95 Å²	95	36.7 Å²	36.7	44%	0.444	19%	0.19	S	C	.	.			trans	-108.2	30.6	174.3	-64.2	175.5	-138.7	0	0	110.6	S126 L127 T128 R152	S126-E150 WeakPolarHBondContact CB-OE1 3.41Å; S126-E150 PolarHBondContact OG-OE1 3.2Å; S126-E150 VanDerWaalsContact OG-OE1 3.08Å; L127-E150 CarbonylContact O-C 3.55Å; L127-E150 WeakPolarHBondContact O-CA 2.81Å; L127-E150 PolarHBondContact O-N 3.15Å; L127-E150 VanDerWaalsContact O-N 3.08Å; T128-E150 WeakPolarHBondContact CA-O 3.44Å; T128-E150 HydrophobicContact CG2-CB 4.11Å; E150-R152 PolarHBondContact O-N 3.34Å
151	L	95.1	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.			trans	-60.9	132.2	-171.6	-67.2	172.9	0	0	0	110.2	L127 I130 L146 N149 I170 N173 H175 L176	L127-L151 HydrophobicContact CB-CD2 3.94Å; L127-L151 WeakPolarHBondContact O-CA 3.45Å; L127-L151 WeakPolarHBondContact O-CD2 3.37Å; L127-L151 PolarHBondContact O-N 3.09Å; I130-L151 HydrophobicContact CD1-CD2 3.89Å; I130-L151 HydrophobicContact CG1-CD1 4.45Å; I130-L151 HydrophobicContact CG1-CD2 3.85Å; L146-L151 HydrophobicContact CB-CD1 4.12Å; L146-L151 HydrophobicContact CD1-CD1 4.34Å; L146-L151 HydrophobicContact CD2-CD1 4.49Å; N149-L151 HydrophobicContact CB-CD1 4.43Å; N149-L151 HydrophobicContact CB-CG 3.94Å; L151-I170 HydrophobicContact CD1-CD1 3.86Å; L151-I170 HydrophobicContact CD1-CG1 4.06Å; L151-N173 HydrophobicContact CB-CB 4.16Å; L151-N173 VanDerWaalsContact CB-OD1 3.25Å; L151-N173 WeakPolarHBondContact CB-OD1 3.34Å; L151-N173 WeakPolarHBondContact CG-OD1 3.42Å; L151-N173 PolarHBondContact N-OD1 2.76Å; L151-N173 VanDerWaalsContact N-OD1 3.13Å; L151-H175 CarbonylContact O-C 3.29Å; L151-H175 VanDerWaalsContact O-C 3.26Å; L151-L176 HydrophobicContact CB-CB 4.49Å; L151-L176 HydrophobicContact CB-CD1 4.33Å; L151-L176 WeakPolarHBondContact O-CA 3.46Å; L151-L176 WeakPolarHBondContact O-CB 3.32Å; L151-L176 PolarHBondContact O-N 2.97Å
152	R	94	Very high	93.8	Very high	130 Å²	130	35.8 Å²	35.8	49%	0.491	19%	0.189	S	C	.	.			trans	-112	-37.3	174.8	-64.4	-178.8	-178	-88.9	-4	111.4	T128 E150 H175 D177	T128-R152 PolarHBondContact O-N 2.85Å; E150-R152 PolarHBondContact O-N 3.34Å; R152-H175 WeakPolarHBondContact CA-O 3.5Å; R152-H175 HydrophobicContact CG-CB 3.95Å; R152-D177 PolarHBondContact O-N 2.79Å
153	T	94.9	Very high	93.5	Very high	59 Å²	59	36.7 Å²	36.7	36%	0.362	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.8	179.2	63.1	0	0	0	0	112.7	T128 T129 I130 S180	T128-T153 PolarHBondContact O-N 3.36Å; T129-T153 VanDerWaalsContact CA-O 3.32Å; T129-T153 WeakPolarHBondContact CA-O 3.39Å; T129-T153 PolarHBondContact OG1-OG1 3.3Å; I130-T153 PolarHBondContact N-O 2.98Å; T153-S180 WeakPolarHBondContact CA-OG 3.23Å
154	V	94.7	Very high	93.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.8	166.6	-179.4	0	0	0	0	107.8	I130 T158 F159 I170 L176 S180 L181 A184	I130-V154 HydrophobicContact CB-CG1 4.35Å; I130-V154 HydrophobicContact CG1-CG2 4.49Å; V154-T158 HydrophobicContact CG1-CG2 3.97Å; V154-F159 HydrophobicContact CG1-CE2 4.2Å; V154-F159 HydrophobicContact CG1-CZ 4.38Å; V154-I170 HydrophobicContact CG2-CD1 4.38Å; V154-L176 HydrophobicContact CG2-CD1 4Å; V154-S180 PolarHBondContact N-OG 2.89Å; V154-L181 HydrophobicContact CG2-CD1 4.43Å; V154-A184 HydrophobicContact CB-CB 4.16Å; V154-A184 HydrophobicContact CG1-CB 3.52Å
155	H	95.1	Very high	93.3	Very high	67 Å²	67	38.1 Å²	38.1	31%	0.31	20%	0.203	S	C	.	.			trans	-65.2	140.4	-178.4	-168.6	-94.8	0	0	0	110.8	I130 E132 D157 T158 A184	I130-H155 PolarHBondContact O-N 3.3Å; E132-H155 HydrophobicContact CB-CB 4.46Å; E132-H155 WeakPolarHBondContact CB-ND1 3.09Å; E132-H155 IonicContact OE2-CE1 2.74Å; E132-H155 PolarHBondContact OE2-CE1 3.31Å; H155-D157 PolarHBondContact ND1-N 3.3Å; H155-D157 PolarHBondContact O-N 2.87Å; H155-T158 WeakPolarHBondContact CB-OG1 3.37Å; H155-T158 PolarHBondContact N-OG1 3.35Å; H155-T158 VanDerWaalsContact O-CB 3.31Å; H155-T158 WeakPolarHBondContact O-CB 3.45Å; H155-T158 PolarHBondContact O-N 2.66Å; H155-T158 PolarHBondContact O-OG1 3.03Å; H155-A184 VanDerWaalsContact O-CB 3.26Å; H155-A184 WeakPolarHBondContact O-CB 3.43Å
156	P	92.4	Very high	93	Very high	52 Å²	52	40.6 Å²	40.6	34%	0.338	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.9	-176.3	-27.2	34.9	0	0	0	115.5	R183 A184 K187	P156-R183 HydrophobicContact CB-CB 4.24Å; P156-R183 HydrophobicContact CG-CB 4.35Å; P156-A184 WeakPolarHBondContact O-CA 3.32Å; P156-K187 VanDerWaalsContact O-CG 3.31Å; P156-K187 WeakPolarHBondContact O-CG 3.36Å
157	D	93.5	Very high	92.8	Very high	50 Å²	50	43.6 Å²	43.6	27%	0.267	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	5.1	-179.7	-69.4	-56	0	0	0	113.8	E132 H155 F159 A160 K187	E132-D157 HydrophobicContact CG-CB 4.01Å; H155-D157 PolarHBondContact ND1-N 3.3Å; H155-D157 PolarHBondContact O-N 2.87Å; D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 3.34Å; D157-A160 HydrophobicContact CB-CB 4.39Å; D157-A160 WeakPolarHBondContact O-CB 3.43Å; D157-A160 PolarHBondContact O-N 3.28Å; D157-K187 WeakPolarHBondContact OD1-CE 3.33Å; D157-K187 IonicContact OD1-NZ 3.3Å; D157-K187 PolarHBondContact OD1-NZ 3.42Å
158	T	93	Very high	92.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.7	-179.7	-69.5	0	0	0	0	113.3	I130 H131 L135 V154 H155	I130-T158 HydrophobicContact CB-CG2 4.23Å; I130-T158 HydrophobicContact CG2-CG2 3.38Å; I130-T158 PolarHBondContact O-OG1 3.19Å; H131-T158 PolarHBondContact O-OG1 3.29Å; H131-T158 VanDerWaalsContact O-OG1 3.05Å; L135-T158 HydrophobicContact CD1-CG2 3.88Å; L135-T158 HydrophobicContact CG-CG2 4.36Å; V154-T158 HydrophobicContact CG1-CG2 3.97Å; H155-T158 WeakPolarHBondContact CB-OG1 3.37Å; H155-T158 PolarHBondContact N-OG1 3.35Å; H155-T158 VanDerWaalsContact O-CB 3.31Å; H155-T158 WeakPolarHBondContact O-CB 3.45Å; H155-T158 PolarHBondContact O-N 2.66Å; H155-T158 PolarHBondContact O-OG1 3.03Å
159	F	93.3	Very high	92.8	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.5	-178.9	-57.1	-56.2	0	0	0	113.9	L135 L144 V154 D157 S161 T162 L165 L168 A184 L185 A188	L135-F159 HydrophobicContact CD1-CD1 3.99Å; L135-F159 HydrophobicContact CD1-CE1 3.96Å; L144-F159 HydrophobicContact CD2-CE1 3.73Å; V154-F159 HydrophobicContact CG1-CE2 4.2Å; V154-F159 HydrophobicContact CG1-CZ 4.38Å; D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 3.34Å; F159-S161 PolarHBondContact O-N 3.06Å; F159-T162 WeakPolarHBondContact CA-OG1 3.29Å; F159-T162 PolarHBondContact O-N 2.75Å; F159-T162 PolarHBondContact O-OG1 2.72Å; F159-L165 HydrophobicContact CD1-CD2 3.55Å; F159-L165 HydrophobicContact CE1-CD2 3.82Å; F159-L165 HydrophobicContact CG-CD2 4.19Å; F159-L168 HydrophobicContact CE1-CD1 4.42Å; F159-L168 HydrophobicContact CE2-CD2 4.28Å; F159-L168 HydrophobicContact CZ-CD1 4.21Å; F159-L168 HydrophobicContact CZ-CD2 3.93Å; F159-A184 HydrophobicContact CD2-CB 3.8Å; F159-A184 HydrophobicContact CE2-CB 3.84Å; F159-L185 HydrophobicContact CD2-CD2 4.07Å; F159-L185 HydrophobicContact CE2-CD2 3.81Å; F159-L185 HydrophobicContact CE2-CG 4.34Å; F159-A188 HydrophobicContact CB-CB 4.1Å; F159-A188 HydrophobicContact CG-CB 4.49Å
160	A	90.6	Very high	92.8	Very high	59 Å²	59	40.2 Å²	40.2	49%	0.488	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27	178.7	0	0	0	0	0	112.4	D157 K187	D157-A160 HydrophobicContact CB-CB 4.39Å; D157-A160 WeakPolarHBondContact O-CB 3.43Å; D157-A160 PolarHBondContact O-N 3.28Å; A160-K187 HydrophobicContact CB-CB 4.23Å; A160-K187 HydrophobicContact CB-CG 4.38Å
161	S	86.3	Confident	92.6	Very high	32 Å²	32	39.2 Å²	39.2	22%	0.224	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	2.6	178.5	59.4	0	0	0	0	114.9	L135 F159 P163	L135-S161 PolarHBondContact O-OG 3.46Å; F159-S161 PolarHBondContact O-N 3.06Å; S161-P163 VanDerWaalsContact C-CD 3.41Å; S161-P163 VanDerWaalsContact O-CD 3.3Å; S161-P163 WeakPolarHBondContact O-CD 3.04Å
162	T	90.7	Very high	92.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.			trans	-120.6	65	-178	59.6	0	0	0	0	111.2	L135 A138 L141 F159 K164 L165	L135-T162 HydrophobicContact CB-CG2 3.82Å; L135-T162 HydrophobicContact CD1-CG2 4.08Å; A138-T162 HydrophobicContact CB-CG2 4.42Å; L141-T162 HydrophobicContact CB-CG2 4.25Å; L141-T162 HydrophobicContact CD2-CG2 4Å; F159-T162 WeakPolarHBondContact CA-OG1 3.29Å; F159-T162 PolarHBondContact O-N 2.75Å; F159-T162 PolarHBondContact O-OG1 2.72Å; T162-K164 PolarHBondContact O-N 2.74Å; T162-K164 VanDerWaalsContact O-N 3.12Å; T162-L165 WeakPolarHBondContact O-CB 3.34Å; T162-L165 PolarHBondContact O-N 3.29Å; T162-L165 VanDerWaalsContact O-N 3.15Å
163	P	90	Very high	92.2	Very high	61 Å²	61	36.2 Å²	36.2	40%	0.396	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.3	-171.1	26.7	-35.8	0	0	0	114	V139 S161	V139-P163 HydrophobicContact CG1-CG 3.87Å; S161-P163 VanDerWaalsContact C-CD 3.41Å; S161-P163 VanDerWaalsContact O-CD 3.3Å; S161-P163 WeakPolarHBondContact O-CD 3.04Å
164	K	92.9	Very high	91.6	Very high	70 Å²	70	38.4 Å²	38.4	30%	0.304	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.8	179.9	-66.9	-169.8	175.5	172.4	0	114.4	E140 L141 E142 T162 R166	E140-K164 WeakPolarHBondContact OE1-CE 3.49Å; E140-K164 IonicContact OE1-NZ 3.76Å; E140-K164 PolarHBondContact OE1-NZ 3.01Å; E140-K164 WeakPolarHBondContact OE2-CD 3.17Å; E140-K164 IonicContact OE2-NZ 3Å; E140-K164 PolarHBondContact OE2-NZ 2.82Å; L141-K164 CarbonylContact O-C 3.41Å; E142-K164 WeakPolarHBondContact CA-O 3.44Å; E142-K164 HydrophobicContact CG-CB 4.38Å; T162-K164 PolarHBondContact O-N 2.74Å; T162-K164 VanDerWaalsContact O-N 3.12Å; K164-R166 WeakPolarHBondContact O-CG 3.32Å; K164-R166 PolarHBondContact O-N 3.24Å
165	L	93.9	Very high	91.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.227	C	C	.	.			trans	-62.8	111.7	-178	-173.9	68.8	0	0	0	110.1	L141 L144 F159 T162 E190 L191	L141-L165 HydrophobicContact CD2-CD1 4.47Å; L141-L165 HydrophobicContact CG-CD1 4.37Å; L141-L165 WeakPolarHBondContact O-CA 3.48Å; L141-L165 PolarHBondContact O-N 2.86Å; L144-L165 HydrophobicContact CB-CD1 3.74Å; F159-L165 HydrophobicContact CD1-CD2 3.55Å; F159-L165 HydrophobicContact CE1-CD2 3.82Å; F159-L165 HydrophobicContact CG-CD2 4.19Å; T162-L165 WeakPolarHBondContact O-CB 3.34Å; T162-L165 PolarHBondContact O-N 3.29Å; T162-L165 VanDerWaalsContact O-N 3.15Å; L165-E190 CarbonylContact O-C 3.59Å; L165-E190 VanDerWaalsContact O-C 3.24Å; L165-L191 HydrophobicContact CD2-CD1 4.39Å; L165-L191 HydrophobicContact CG-CD1 4.18Å; L165-L191 VanDerWaalsContact O-CA 3.31Å; L165-L191 WeakPolarHBondContact O-CA 3Å; L165-L191 PolarHBondContact O-N 2.82Å
166	R	90.8	Very high	91.3	Very high	87 Å²	87	40.8 Å²	40.8	33%	0.328	21%	0.214	S	C	.	.			trans	-108.6	-31	-175.9	-77.3	165	-178.4	-171.9	2.4	112.4	E142 K164 E190 R192 V193	E142-R166 PolarHBondContact O-N 3.27Å; E142-R166 IonicContact OE2-NH1 3.36Å; K164-R166 WeakPolarHBondContact O-CG 3.32Å; K164-R166 PolarHBondContact O-N 3.24Å; R166-E190 HydrophobicContact CG-CB 4.43Å; R166-E190 WeakPolarHBondContact CG-O 3.43Å; R166-E190 IonicContact CZ-OE2 2.71Å; R166-E190 IonicContact NE-OE2 3.8Å; R166-E190 PolarHBondContact NE-OE2 2.9Å; R166-E190 IonicContact NH2-OE2 3.45Å; R166-E190 PolarHBondContact NH2-OE2 3.15Å; R166-R192 HydrophobicContact CG-CG 4.44Å; R166-R192 WeakPolarHBondContact O-CA 3.37Å; R166-R192 PolarHBondContact O-N 3.08Å; R166-V193 PolarHBondContact O-N 3.02Å
167	Q	92.3	Very high	91.2	Very high	66 Å²	66	41.6 Å²	41.6	31%	0.308	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.7	177.7	-173.8	172	-19.2	0	0	110.6	E142 N143 L144 V193	E142-Q167 PolarHBondContact O-N 3.03Å; N143-Q167 WeakPolarHBondContact CA-O 3.25Å; N143-Q167 WeakPolarHBondContact OD1-CB 3.41Å; L144-Q167 PolarHBondContact N-O 3.36Å; Q167-V193 WeakPolarHBondContact CA-O 3.2Å; Q167-V193 HydrophobicContact CG-CB 4.22Å; Q167-V193 HydrophobicContact CG-CG1 4.49Å
168	L	94.3	Very high	91	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.7	169.9	179.9	66.8	0	0	0	108.8	L144 L146 F159 L181 L185 L191 V193 A194 S195	L144-L168 HydrophobicContact CB-CD1 3.98Å; L144-L168 HydrophobicContact CD2-CD1 3.81Å; L144-L168 HydrophobicContact CG-CD1 3.93Å; L144-L168 WeakPolarHBondContact O-CA 3.43Å; L146-L168 HydrophobicContact CD1-CD1 4.21Å; F159-L168 HydrophobicContact CE1-CD1 4.42Å; F159-L168 HydrophobicContact CE2-CD2 4.28Å; F159-L168 HydrophobicContact CZ-CD1 4.21Å; F159-L168 HydrophobicContact CZ-CD2 3.93Å; L168-L181 HydrophobicContact CD2-CD1 4.29Å; L168-L185 HydrophobicContact CD2-CD2 3.56Å; L168-L185 HydrophobicContact CD2-CG 4.47Å; L168-L191 HydrophobicContact CB-CD1 3.92Å; L168-V193 PolarHBondContact N-O 3.42Å; L168-A194 CarbonylContact O-C 3.38Å; L168-A194 VanDerWaalsContact O-CA 3.29Å; L168-A194 WeakPolarHBondContact O-CA 3.28Å; L168-S195 PolarHBondContact O-N 3.12Å
169	D	93.1	Very high	90.9	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.048	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.9	169.6	-163.1	3	0	0	0	108.8	L144 F145 L146 N147 R171 S195	L144-D169 PolarHBondContact O-N 3.26Å; F145-D169 CarbonylContact C-O 3.54Å; F145-D169 HydrophobicContact CD1-CB 3.72Å; F145-D169 HydrophobicContact CE1-CB 4.32Å; L146-D169 PolarHBondContact N-O 2.69Å; N147-D169 PolarHBondContact ND2-OD2 2.95Å; N147-D169 PolarHBondContact OD1-O 2.97Å; N147-D169 PolarHBondContact OD1-OD1 3.28Å; D169-R171 WeakPolarHBondContact OD1-CG 3.24Å; D169-R171 IonicContact OD1-CZ 2.67Å; D169-R171 IonicContact OD1-NE 3.06Å; D169-R171 PolarHBondContact OD1-NE 3.16Å; D169-R171 IonicContact OD1-NH2 2.71Å; D169-R171 IonicContact OD2-CZ 2.66Å; D169-R171 IonicContact OD2-NE 3.43Å; D169-R171 IonicContact OD2-NH2 3.41Å; D169-R171 PolarHBondContact OD2-NH2 2.95Å; D169-S195 WeakPolarHBondContact CA-O 3.35Å; D169-S195 WeakPolarHBondContact OD1-CB 3.37Å
170	I	93.5	Very high	90.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.219	C	C	.	.			trans	-137.3	28.8	-173.3	-164.4	164.6	0	0	0	112.4	L146 N147 L151 V154 N173 L176 L181 S195 M196	L146-I170 HydrophobicContact CB-CB 4.29Å; L146-I170 HydrophobicContact CB-CD1 4.33Å; L146-I170 HydrophobicContact CB-CG1 3.91Å; L146-I170 HydrophobicContact CD1-CD1 3.96Å; L146-I170 HydrophobicContact CD1-CG1 4.43Å; N147-I170 PolarHBondContact OD1-N 2.75Å; L151-I170 HydrophobicContact CD1-CD1 3.86Å; L151-I170 HydrophobicContact CD1-CG1 4.06Å; V154-I170 HydrophobicContact CG2-CD1 4.38Å; I170-N173 PolarHBondContact O-ND2 3.37Å; I170-L176 HydrophobicContact CD1-CD2 3.5Å; I170-L176 HydrophobicContact CG1-CD2 3.91Å; I170-L181 HydrophobicContact CD1-CD1 3.95Å; I170-L181 HydrophobicContact CG2-CD2 3.99Å; I170-S195 PolarHBondContact N-O 2.9Å; I170-M196 HydrophobicContact CG2-CB 3.91Å
171	R	90	Very high	91	Very high	73 Å²	73	39.1 Å²	39.1	28%	0.275	20%	0.196	S	C	.	.			trans	-68.4	161.6	-177.9	-67	176.9	-70.9	152.7	1	112.8	N147 D148 D169 N173 D197 D226	N147-R171 CarbonylContact C-O 3.24Å; N147-R171 WeakPolarHBondContact CA-O 3.4Å; N147-R171 PolarHBondContact OD1-N 2.82Å; D148-R171 PolarHBondContact N-O 2.99Å; D169-R171 WeakPolarHBondContact OD1-CG 3.24Å; D169-R171 IonicContact OD1-CZ 2.67Å; D169-R171 IonicContact OD1-NE 3.06Å; D169-R171 PolarHBondContact OD1-NE 3.16Å; D169-R171 IonicContact OD1-NH2 2.71Å; D169-R171 IonicContact OD2-CZ 2.66Å; D169-R171 IonicContact OD2-NE 3.43Å; D169-R171 IonicContact OD2-NH2 3.41Å; D169-R171 PolarHBondContact OD2-NH2 2.95Å; R171-N173 PolarHBondContact O-N 2.89Å; R171-N173 PolarHBondContact O-ND2 3.38Å; R171-D197 VanDerWaalsContact CA-OD1 3.3Å; R171-D197 WeakPolarHBondContact CA-OD1 3.14Å; R171-D226 WeakPolarHBondContact CD-OD1 3.37Å; R171-D226 HydrophobicContact CG-CB 4.21Å; R171-D226 IonicContact CZ-OD1 3.42Å; R171-D226 IonicContact NE-OD1 2.76Å; R171-D226 IonicContact NH1-OD1 3.09Å; R171-D226 PolarHBondContact NH1-OD1 2.79Å
172	N	89.1	Confident	91.3	Very high	68 Å²	68	37.6 Å²	37.6	36%	0.364	19%	0.185	S	C	.	.	S	Bend	trans	55.2	44.3	-179.4	-61.7	-21.5	0	0	0	113.6	D148 D197	D148-N172 WeakPolarHBondContact CA-O 3.36Å; D148-N172 HydrophobicContact CB-CB 4.48Å; D148-N172 VanDerWaalsContact OD1-CB 3.23Å; D148-N172 WeakPolarHBondContact OD1-CB 3.38Å; D148-N172 PolarHBondContact OD1-ND2 3.37Å; N172-D197 PolarHBondContact N-OD1 2.99Å; N172-D197 PolarHBondContact N-OD2 2.92Å
173	N	91	Very high	91.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.			trans	-113.7	74.6	170.2	-77.6	-83.4	0	0	0	109.1	L146 N149 L151 I170 R171 H175 L176 D197 R199	L146-N173 PolarHBondContact O-ND2 2.73Å; N149-N173 WeakPolarHBondContact CA-OD1 3.38Å; N149-N173 WeakPolarHBondContact CB-OD1 3.42Å; N149-N173 PolarHBondContact N-OD1 3.39Å; N149-N173 PolarHBondContact O-OD1 3.11Å; L151-N173 HydrophobicContact CB-CB 4.16Å; L151-N173 VanDerWaalsContact CB-OD1 3.25Å; L151-N173 WeakPolarHBondContact CB-OD1 3.34Å; L151-N173 WeakPolarHBondContact CG-OD1 3.42Å; L151-N173 PolarHBondContact N-OD1 2.76Å; L151-N173 VanDerWaalsContact N-OD1 3.13Å; I170-N173 PolarHBondContact O-ND2 3.37Å; R171-N173 PolarHBondContact O-N 2.89Å; R171-N173 PolarHBondContact O-ND2 3.38Å; N173-H175 PolarHBondContact O-N 3.47Å; N173-L176 HydrophobicContact CB-CB 3.99Å; N173-L176 HydrophobicContact CB-CD2 4.45Å; N173-L176 WeakPolarHBondContact O-CB 3Å; N173-L176 PolarHBondContact O-N 2.98Å; N173-D197 PolarHBondContact N-OD2 3.4Å; N173-R199 PolarHBondContact O-NH2 3.5Å
174	D	83.6	Confident	91.6	Very high	104 Å²	104	39.9 Å²	39.9	56%	0.556	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-17.4	-166.8	-77.5	-20.1	0	0	0	115.7	R199	D174-R199 VanDerWaalsContact C-NH2 3.32Å; D174-R199 PolarHBondContact O-NH1 3.38Å; D174-R199 PolarHBondContact O-NH2 3.04Å; D174-R199 IonicContact OD1-CZ 3.37Å
175	H	89.2	Confident	91.7	Very high	115 Å²	115	36.5 Å²	36.5	53%	0.532	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	5.8	-177.7	-58.8	-47.8	0	0	0	114.5	L151 R152 N173 D177	L151-H175 CarbonylContact O-C 3.29Å; L151-H175 VanDerWaalsContact O-C 3.26Å; R152-H175 WeakPolarHBondContact CA-O 3.5Å; R152-H175 HydrophobicContact CG-CB 3.95Å; N173-H175 PolarHBondContact O-N 3.47Å; H175-D177 PolarHBondContact O-N 3.11Å
176	L	92.9	Very high	91.5	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	19%	0.19	C	C	.	.			trans	-68.5	123	-178.4	175.9	60.3	0	0	0	110.2	L151 V154 I170 N173 P178 L181 M200	L151-L176 HydrophobicContact CB-CB 4.49Å; L151-L176 HydrophobicContact CB-CD1 4.33Å; L151-L176 WeakPolarHBondContact O-CA 3.46Å; L151-L176 WeakPolarHBondContact O-CB 3.32Å; L151-L176 PolarHBondContact O-N 2.97Å; V154-L176 HydrophobicContact CG2-CD1 4Å; I170-L176 HydrophobicContact CD1-CD2 3.5Å; I170-L176 HydrophobicContact CG1-CD2 3.91Å; N173-L176 HydrophobicContact CB-CB 3.99Å; N173-L176 HydrophobicContact CB-CD2 4.45Å; N173-L176 WeakPolarHBondContact O-CB 3Å; N173-L176 PolarHBondContact O-N 2.98Å; L176-P178 VanDerWaalsContact O-CD 3.27Å; L176-P178 WeakPolarHBondContact O-CD 3.09Å; L176-L181 HydrophobicContact CD2-CB 4.27Å; L176-L181 HydrophobicContact CD2-CD2 4.01Å; L176-L181 HydrophobicContact CG-CB 4.48Å; L176-M200 HydrophobicContact CB-CE 3.72Å; L176-M200 HydrophobicContact CB-SD 4.4Å; L176-M200 HydrophobicContact CD2-CE 4.31Å; L176-M200 HydrophobicContact CD2-SD 4.24Å; L176-M200 HydrophobicContact CG-CE 4.15Å; L176-M200 HydrophobicContact CG-SD 4.18Å; L176-M200 WeakPolarHBondContact O-CE 3.4Å
177	D	90.4	Very high	91.6	Very high	68 Å²	68	41.7 Å²	41.7	36%	0.364	19%	0.193	S	C	.	.			trans	-67.4	115.6	173.1	167.7	33.8	0	0	0	109.7	R152 H175 M179 S180 L181	R152-D177 PolarHBondContact O-N 2.79Å; H175-D177 PolarHBondContact O-N 3.11Å; D177-M179 PolarHBondContact O-N 2.9Å; D177-M179 PolarHBondContact OD1-N 3.39Å; D177-M179 VanDerWaalsContact OD1-N 3.12Å; D177-S180 PolarHBondContact O-N 2.75Å; D177-S180 VanDerWaalsContact O-N 3.14Å; D177-S180 PolarHBondContact O-OG 2.7Å; D177-S180 WeakPolarHBondContact OD2-CB 3.3Å; D177-S180 PolarHBondContact OD2-N 3.18Å; D177-L181 PolarHBondContact O-N 3.45Å
178	P	89.5	Confident	91.5	Very high	29 Å²	29	38.6 Å²	38.6	19%	0.188	18%	0.179	C	C	.	.	H	α-helix	trans	-54.7	-36.9	179	-24.8	34	0	0	0	112.3	L176 L181 W182 M200	L176-P178 VanDerWaalsContact O-CD 3.27Å; L176-P178 WeakPolarHBondContact O-CD 3.09Å; P178-L181 PolarHBondContact O-N 3.05Å; P178-W182 PolarHBondContact O-N 3.32Å; P178-M200 HydrophobicContact CB-SD 4.22Å; P178-M200 HydrophobicContact CG-SD 3.96Å
179	M	91.3	Very high	91.1	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-41.9	-178.3	-160.7	71	72.1	0	0	111.5	D177 L181 W182 R183 E206 C207 L210	D177-M179 PolarHBondContact O-N 2.9Å; D177-M179 PolarHBondContact OD1-N 3.39Å; D177-M179 VanDerWaalsContact OD1-N 3.12Å; M179-L181 VanDerWaalsContact C-N 3.35Å; M179-L181 PolarHBondContact O-N 3.28Å; M179-W182 PolarHBondContact O-N 3.29Å; M179-R183 VanDerWaalsContact CG-CZ 3.44Å; M179-R183 WeakPolarHBondContact O-CB 3.47Å; M179-R183 VanDerWaalsContact O-CG 3.25Å; M179-R183 WeakPolarHBondContact O-CG 3.5Å; M179-R183 PolarHBondContact O-N 3.44Å; M179-E206 HydrophobicContact CE-CB 4.36Å; M179-C207 HydrophobicContact CE-CB 3.47Å; M179-C207 VanDerWaalsContact CE-CB 3.47Å; M179-C207 HydrophobicContact SD-CB 3.92Å; M179-L210 HydrophobicContact SD-CD2 4.47Å
180	S	93.6	Very high	90.8	Very high	10 Å²	10	50.9 Å²	50.9	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-44.3	174.1	78.6	0	0	0	0	112.1	T153 V154 D177 A184	T153-S180 WeakPolarHBondContact CA-OG 3.23Å; V154-S180 PolarHBondContact N-OG 2.89Å; D177-S180 PolarHBondContact O-N 2.75Å; D177-S180 VanDerWaalsContact O-N 3.14Å; D177-S180 PolarHBondContact O-OG 2.7Å; D177-S180 WeakPolarHBondContact OD2-CB 3.3Å; D177-S180 PolarHBondContact OD2-N 3.18Å; S180-A184 PolarHBondContact O-N 3.24Å; S180-A184 VanDerWaalsContact O-N 3.11Å
181	L	93.2	Very high	90.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-50.3	178.3	177.3	61.2	0	0	0	111.3	V154 L168 I170 L176 D177 P178 M179 R183 A184 L185 M200	V154-L181 HydrophobicContact CG2-CD1 4.43Å; L168-L181 HydrophobicContact CD2-CD1 4.29Å; I170-L181 HydrophobicContact CD1-CD1 3.95Å; I170-L181 HydrophobicContact CG2-CD2 3.99Å; L176-L181 HydrophobicContact CD2-CB 4.27Å; L176-L181 HydrophobicContact CD2-CD2 4.01Å; L176-L181 HydrophobicContact CG-CB 4.48Å; D177-L181 PolarHBondContact O-N 3.45Å; P178-L181 PolarHBondContact O-N 3.05Å; M179-L181 VanDerWaalsContact C-N 3.35Å; M179-L181 PolarHBondContact O-N 3.28Å; L181-R183 VanDerWaalsContact C-N 3.32Å; L181-R183 PolarHBondContact O-N 3.46Å; L181-A184 WeakPolarHBondContact O-CB 3.43Å; L181-A184 PolarHBondContact O-N 2.83Å; L181-A184 VanDerWaalsContact O-N 3.13Å; L181-L185 HydrophobicContact CD1-CD1 4.14Å; L181-L185 HydrophobicContact CD1-CG 4.04Å; L181-L185 HydrophobicContact CD2-CD1 4.47Å; L181-L185 HydrophobicContact CG-CD1 3.93Å; L181-L185 HydrophobicContact CG-CG 4.24Å; L181-L185 WeakPolarHBondContact O-CB 3.37Å; L181-L185 WeakPolarHBondContact O-CG 3.24Å; L181-L185 PolarHBondContact O-N 2.83Å; L181-M200 HydrophobicContact CD2-CG 4.42Å; L181-M200 HydrophobicContact CD2-SD 4.35Å
182	W	92.4	Very high	90.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-33.7	-178	-72.2	114.4	0	0	0	112.5	P178 M179 A184 L185 R186 M196 M200 V201 L210 I211 V214 I223	P178-W182 PolarHBondContact O-N 3.32Å; M179-W182 PolarHBondContact O-N 3.29Å; W182-A184 VanDerWaalsContact C-N 3.34Å; W182-L185 HydrophobicContact CD2-CD1 4.2Å; W182-L185 HydrophobicContact CE3-CB 4.28Å; W182-L185 HydrophobicContact CE3-CD1 3.72Å; W182-L185 HydrophobicContact CH2-CD1 4.27Å; W182-L185 HydrophobicContact CZ3-CD1 3.76Å; W182-L185 PolarHBondContact O-N 2.99Å; W182-R186 PolarHBondContact O-N 2.78Å; W182-R186 VanDerWaalsContact O-N 3.1Å; W182-M196 HydrophobicContact CH2-CE 3.79Å; W182-M196 HydrophobicContact CH2-SD 4.08Å; W182-M196 HydrophobicContact CZ2-CE 3.78Å; W182-M196 HydrophobicContact CZ2-SD 3.47Å; W182-M196 WeakPolarHBondContact CZ2-SD 3.13Å; W182-M200 PolarHBondContact NE1-O 3.19Å; W182-V201 HydrophobicContact CZ2-CG1 4.01Å; W182-L210 VanDerWaalsContact C-CD2 3.49Å; W182-L210 HydrophobicContact CB-CB 4.41Å; W182-L210 HydrophobicContact CB-CD2 3.81Å; W182-I211 HydrophobicContact CD2-CB 4.42Å; W182-I211 HydrophobicContact CD2-CD1 4.48Å; W182-I211 HydrophobicContact CD2-CG1 3.59Å; W182-I211 VanDerWaalsContact CE2-CG1 3.46Å; W182-I211 HydrophobicContact CE3-CB 4.44Å; W182-I211 HydrophobicContact CE3-CG1 4.09Å; W182-I211 HydrophobicContact CG-CG1 3.87Å; W182-I211 HydrophobicContact CH2-CG1 4.4Å; W182-I211 HydrophobicContact CH2-CG2 3.97Å; W182-I211 HydrophobicContact CZ2-CD1 4.17Å; W182-I211 HydrophobicContact CZ2-CG1 3.9Å; W182-I211 HydrophobicContact CZ2-CG2 4.11Å; W182-I211 HydrophobicContact CZ3-CG1 4.47Å; W182-I211 HydrophobicContact CZ3-CG2 4.17Å; W182-V214 HydrophobicContact CE3-CB 4.02Å; W182-V214 HydrophobicContact CE3-CG1 4.16Å; W182-V214 HydrophobicContact CE3-CG2 3.96Å; W182-V214 HydrophobicContact CZ3-CB 4.05Å; W182-V214 HydrophobicContact CZ3-CG1 3.91Å; W182-V214 HydrophobicContact CZ3-CG2 4.48Å; W182-I223 HydrophobicContact CH2-CD1 3.53Å; W182-I223 HydrophobicContact CH2-CG1 4.32Å; W182-I223 HydrophobicContact CZ2-CD1 4.09Å
183	R	93.8	Very high	90	Very high	108 Å²	108	52.2 Å²	52.2	41%	0.408	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-42.1	171.4	-77	176.4	-179.3	145.8	2.1	111.5	P156 M179 L181 R186 L210	P156-R183 HydrophobicContact CB-CB 4.24Å; P156-R183 HydrophobicContact CG-CB 4.35Å; M179-R183 VanDerWaalsContact CG-CZ 3.44Å; M179-R183 WeakPolarHBondContact O-CB 3.47Å; M179-R183 VanDerWaalsContact O-CG 3.25Å; M179-R183 WeakPolarHBondContact O-CG 3.5Å; M179-R183 PolarHBondContact O-N 3.44Å; L181-R183 VanDerWaalsContact C-N 3.32Å; L181-R183 PolarHBondContact O-N 3.46Å; R183-R186 WeakPolarHBondContact O-CB 3.19Å; R183-L210 HydrophobicContact CB-CD2 4.19Å; R183-L210 HydrophobicContact CG-CD2 3.49Å; R183-L210 VanDerWaalsContact CG-CD2 3.49Å
184	A	93.9	Very high	89.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-47.3	174.5	0	0	0	0	0	111.9	V154 H155 P156 F159 S180 L181 W182 R186 K187	V154-A184 HydrophobicContact CB-CB 4.16Å; V154-A184 HydrophobicContact CG1-CB 3.52Å; H155-A184 VanDerWaalsContact O-CB 3.26Å; H155-A184 WeakPolarHBondContact O-CB 3.43Å; P156-A184 WeakPolarHBondContact O-CA 3.32Å; F159-A184 HydrophobicContact CD2-CB 3.8Å; F159-A184 HydrophobicContact CE2-CB 3.84Å; S180-A184 PolarHBondContact O-N 3.24Å; S180-A184 VanDerWaalsContact O-N 3.11Å; L181-A184 WeakPolarHBondContact O-CB 3.43Å; L181-A184 PolarHBondContact O-N 2.83Å; L181-A184 VanDerWaalsContact O-N 3.13Å; W182-A184 VanDerWaalsContact C-N 3.34Å; A184-R186 PolarHBondContact O-N 2.95Å; A184-R186 VanDerWaalsContact O-N 3.16Å; A184-K187 PolarHBondContact O-N 3.39Å
185	L	93	Very high	89.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-25	-178.7	-76.3	-179.3	0	0	0	113.2	F159 L168 L181 W182 K187 A188 L191 M196 V214	F159-L185 HydrophobicContact CD2-CD2 4.07Å; F159-L185 HydrophobicContact CE2-CD2 3.81Å; F159-L185 HydrophobicContact CE2-CG 4.34Å; L168-L185 HydrophobicContact CD2-CD2 3.56Å; L168-L185 HydrophobicContact CD2-CG 4.47Å; L181-L185 HydrophobicContact CD1-CD1 4.14Å; L181-L185 HydrophobicContact CD1-CG 4.04Å; L181-L185 HydrophobicContact CD2-CD1 4.47Å; L181-L185 HydrophobicContact CG-CD1 3.93Å; L181-L185 HydrophobicContact CG-CG 4.24Å; L181-L185 WeakPolarHBondContact O-CB 3.37Å; L181-L185 WeakPolarHBondContact O-CG 3.24Å; L181-L185 PolarHBondContact O-N 2.83Å; W182-L185 HydrophobicContact CD2-CD1 4.2Å; W182-L185 HydrophobicContact CE3-CB 4.28Å; W182-L185 HydrophobicContact CE3-CD1 3.72Å; W182-L185 HydrophobicContact CH2-CD1 4.27Å; W182-L185 HydrophobicContact CZ3-CD1 3.76Å; W182-L185 PolarHBondContact O-N 2.99Å; L185-K187 PolarHBondContact O-N 3Å; L185-K187 VanDerWaalsContact O-N 3.09Å; L185-A188 WeakPolarHBondContact O-CB 3.21Å; L185-A188 PolarHBondContact O-N 3.09Å; L185-L191 HydrophobicContact CD2-CD2 3.67Å; L185-M196 HydrophobicContact CD1-CE 4.2Å; L185-V214 HydrophobicContact CB-CG1 4.03Å; L185-V214 HydrophobicContact CB-CG2 4.26Å
186	R	91.7	Very high	89.6	Confident	107 Å²	107	42.3 Å²	42.3	40%	0.404	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.6	172	-153.3	178.6	127.4	165.8	-5.5	113.5	W182 R183 A184 E213 V214 Q217	W182-R186 PolarHBondContact O-N 2.78Å; W182-R186 VanDerWaalsContact O-N 3.1Å; R183-R186 WeakPolarHBondContact O-CB 3.19Å; A184-R186 PolarHBondContact O-N 2.95Å; A184-R186 VanDerWaalsContact O-N 3.16Å; R186-E213 WeakPolarHBondContact CD-OE2 3.43Å; R186-E213 IonicContact CZ-OE1 2.73Å; R186-E213 IonicContact CZ-OE2 3.08Å; R186-E213 VanDerWaalsContact CZ-OE2 3.3Å; R186-E213 IonicContact NE-OE1 3.37Å; R186-E213 PolarHBondContact NE-OE1 2.82Å; R186-E213 IonicContact NE-OE2 3.5Å; R186-E213 PolarHBondContact NE-OE2 3.48Å; R186-E213 IonicContact NH1-OE1 3.15Å; R186-E213 PolarHBondContact NH1-OE1 3.31Å; R186-E213 IonicContact NH1-OE2 3.2Å; R186-E213 PolarHBondContact NH1-OE2 3.24Å; R186-E213 IonicContact NH2-OE1 3.44Å; R186-E213 PolarHBondContact NH2-OE1 2.84Å; R186-V214 HydrophobicContact CB-CG2 4.04Å; R186-V214 HydrophobicContact CG-CG2 4.33Å; R186-Q217 PolarHBondContact O-NE2 3.08Å; R186-Q217 PolarHBondContact O-OE1 2.95Å
187	K	91.8	Very high	89.1	Confident	90 Å²	90	42.5 Å²	42.5	39%	0.391	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.6	173.5	-58.6	-65.7	174.7	114.1	0	114.1	P156 D157 A160 A184 L185 R189	P156-K187 VanDerWaalsContact O-CG 3.31Å; P156-K187 WeakPolarHBondContact O-CG 3.36Å; D157-K187 WeakPolarHBondContact OD1-CE 3.33Å; D157-K187 IonicContact OD1-NZ 3.3Å; D157-K187 PolarHBondContact OD1-NZ 3.42Å; A160-K187 HydrophobicContact CB-CB 4.23Å; A160-K187 HydrophobicContact CB-CG 4.38Å; A184-K187 PolarHBondContact O-N 3.39Å; L185-K187 PolarHBondContact O-N 3Å; L185-K187 VanDerWaalsContact O-N 3.09Å; K187-R189 PolarHBondContact O-N 3.37Å
188	A	89.5	Confident	88.2	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	18%	0.178	C	C	.	.			trans	-80.3	102.5	174.9	0	0	0	0	0	110.3	F159 L185 L191 N218	F159-A188 HydrophobicContact CB-CB 4.1Å; F159-A188 HydrophobicContact CG-CB 4.49Å; L185-A188 WeakPolarHBondContact O-CB 3.21Å; L185-A188 PolarHBondContact O-N 3.09Å; A188-L191 HydrophobicContact CB-CB 4.25Å; A188-N218 PolarHBondContact O-ND2 2.02Å; A188-N218 PolarHBondContact O-OD1 2.75Å
189	R	86	Confident	87.9	Confident	184 Å²	184	45 Å²	45	69%	0.694	19%	0.187	S	C	*	.	S	Bend	trans	-91.6	-11.5	-171.7	-56.7	-157.1	170.5	-176.1	-2.1	115.8	K187 N218	K187-R189 PolarHBondContact O-N 3.37Å; R189-N218 PolarHBondContact O-OD1 2.76Å; R189-N218 VanDerWaalsContact O-OD1 3.07Å
190	E	87.6	Confident	87.6	Confident	83 Å²	83	44 Å²	44	39%	0.388	18%	0.183	S	C	.	.	S	Bend	trans	-117.8	15.4	179.4	-72.5	-156.2	-169.7	0	0	113.4	L165 R166 R192 N218	L165-E190 CarbonylContact O-C 3.59Å; L165-E190 VanDerWaalsContact O-C 3.24Å; R166-E190 HydrophobicContact CG-CB 4.43Å; R166-E190 WeakPolarHBondContact CG-O 3.43Å; R166-E190 IonicContact CZ-OE2 2.71Å; R166-E190 IonicContact NE-OE2 3.8Å; R166-E190 PolarHBondContact NE-OE2 2.9Å; R166-E190 IonicContact NH2-OE2 3.45Å; R166-E190 PolarHBondContact NH2-OE2 3.15Å; E190-R192 WeakPolarHBondContact O-CG 3.4Å; E190-R192 PolarHBondContact O-N 2.84Å; E190-N218 PolarHBondContact N-OD1 2.6Å
191	L	89.6	Confident	86.9	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	18%	0.18	C	C	.	.			trans	-65.7	124.1	-175.6	-163.4	71.7	0	0	0	110.2	L165 L168 L185 A188 A194 N218 L221	L165-L191 HydrophobicContact CD2-CD1 4.39Å; L165-L191 HydrophobicContact CG-CD1 4.18Å; L165-L191 VanDerWaalsContact O-CA 3.31Å; L165-L191 WeakPolarHBondContact O-CA 3Å; L165-L191 PolarHBondContact O-N 2.82Å; L168-L191 HydrophobicContact CB-CD1 3.92Å; L185-L191 HydrophobicContact CD2-CD2 3.67Å; A188-L191 HydrophobicContact CB-CB 4.25Å; L191-A194 HydrophobicContact CD2-CB 3.99Å; L191-N218 PolarHBondContact N-OD1 3.41Å; L191-N218 WeakPolarHBondContact O-CB 3.49Å; L191-N218 PolarHBondContact O-OD1 3.01Å; L191-L221 HydrophobicContact CB-CD1 4.2Å; L191-L221 HydrophobicContact CD2-CD1 3.68Å; L191-L221 HydrophobicContact CD2-CD2 4.15Å; L191-L221 HydrophobicContact CG-CD1 3.65Å
192	R	85.5	Confident	85.9	Confident	132 Å²	132	49.3 Å²	49.3	50%	0.498	21%	0.206	S	C	.	.			trans	-111.7	-30.5	-180	-60.9	-168.8	-179.2	-160.9	-0.6	112.7	R166 E190 L221 K222	R166-R192 HydrophobicContact CG-CG 4.44Å; R166-R192 WeakPolarHBondContact O-CA 3.37Å; R166-R192 PolarHBondContact O-N 3.08Å; E190-R192 WeakPolarHBondContact O-CG 3.4Å; E190-R192 PolarHBondContact O-N 2.84Å; R192-L221 CarbonylContact O-C 3.58Å; R192-L221 VanDerWaalsContact O-CA 3.31Å; R192-L221 WeakPolarHBondContact O-CA 3.36Å; R192-K222 PolarHBondContact O-N 2.82Å
193	V	80.5	Confident	84.9	Confident	36 Å²	36	50.9 Å²	50.9	22%	0.218	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.4	178.3	-177.4	0	0	0	0	108.4	R166 Q167 L168 K222 I224	R166-V193 PolarHBondContact O-N 3.02Å; Q167-V193 WeakPolarHBondContact CA-O 3.2Å; Q167-V193 HydrophobicContact CG-CB 4.22Å; Q167-V193 HydrophobicContact CG-CG1 4.49Å; L168-V193 PolarHBondContact N-O 3.42Å; V193-K222 WeakPolarHBondContact CA-O 3.3Å; V193-I224 HydrophobicContact CG1-CD1 3.61Å; V193-I224 HydrophobicContact CG1-CG1 4.18Å
194	A	84.3	Confident	84.2	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.2	170.5	0	0	0	0	0	108.9	L168 L191 M196 L221 K222 I223 I224	L168-A194 CarbonylContact O-C 3.38Å; L168-A194 VanDerWaalsContact O-CA 3.29Å; L168-A194 WeakPolarHBondContact O-CA 3.28Å; L191-A194 HydrophobicContact CD2-CB 3.99Å; A194-M196 HydrophobicContact CB-CE 3.46Å; A194-M196 VanDerWaalsContact CB-CE 3.46Å; A194-L221 HydrophobicContact CB-CD1 3.86Å; A194-K222 PolarHBondContact N-O 2.69Å; A194-I223 WeakPolarHBondContact O-CA 3.47Å; A194-I224 PolarHBondContact O-N 2.78Å
195	S	84.8	Confident	83.4	Confident	11 Å²	11	53.6 Å²	53.6	8%	0.077	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.6	173.4	-66.6	0	0	0	0	108.7	L168 D169 I170 I224	L168-S195 PolarHBondContact O-N 3.12Å; D169-S195 WeakPolarHBondContact CA-O 3.35Å; D169-S195 WeakPolarHBondContact OD1-CB 3.37Å; I170-S195 PolarHBondContact N-O 2.9Å; S195-I224 WeakPolarHBondContact CA-O 3.23Å
196	M	87.5	Confident	82.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.8	-174.5	62	-176.5	74.2	0	0	110.8	I170 W182 L185 A194 M200 V201 I223 I224 P225 D226	I170-M196 HydrophobicContact CG2-CB 3.91Å; W182-M196 HydrophobicContact CH2-CE 3.79Å; W182-M196 HydrophobicContact CH2-SD 4.08Å; W182-M196 HydrophobicContact CZ2-CE 3.78Å; W182-M196 HydrophobicContact CZ2-SD 3.47Å; W182-M196 WeakPolarHBondContact CZ2-SD 3.13Å; L185-M196 HydrophobicContact CD1-CE 4.2Å; A194-M196 HydrophobicContact CB-CE 3.46Å; A194-M196 VanDerWaalsContact CB-CE 3.46Å; M196-M200 HydrophobicContact CB-CB 4.22Å; M196-M200 HydrophobicContact CB-CG 4.19Å; M196-M200 HydrophobicContact CG-CB 4.01Å; M196-M200 HydrophobicContact SD-CB 3.64Å; M196-V201 HydrophobicContact SD-CG1 4.34Å; M196-I223 HydrophobicContact CE-CG2 4.32Å; M196-I223 HydrophobicContact CG-CG2 3.97Å; M196-I223 HydrophobicContact SD-CG2 4.1Å; M196-I224 PolarHBondContact N-O 2.83Å; M196-I224 VanDerWaalsContact N-O 3.15Å; M196-P225 WeakPolarHBondContact O-CA 3.44Å; M196-D226 PolarHBondContact O-N 3.29Å; M196-D226 VanDerWaalsContact O-N 3.1Å
197	D	80.4	Confident	82.5	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.053	25%	0.253	C	S	.	.			trans	-63	144	176.6	-54.7	-29.6	0	0	0	110.3	R171 N172 N173 R199 M200	R171-D197 VanDerWaalsContact CA-OD1 3.3Å; R171-D197 WeakPolarHBondContact CA-OD1 3.14Å; N172-D197 PolarHBondContact N-OD1 2.99Å; N172-D197 PolarHBondContact N-OD2 2.92Å; N173-D197 PolarHBondContact N-OD2 3.4Å; D197-R199 HydrophobicContact CB-CB 4.43Å; D197-R199 HydrophobicContact CB-CG 4.08Å; D197-R199 PolarHBondContact O-N 3.34Å; D197-R199 IonicContact OD2-CZ 2.99Å; D197-R199 IonicContact OD2-NE 3.73Å; D197-R199 IonicContact OD2-NH2 3.29Å; D197-R199 PolarHBondContact OD2-NH2 2.84Å; D197-M200 HydrophobicContact CB-CG 4.41Å; D197-M200 VanDerWaalsContact O-CB 3.29Å; D197-M200 WeakPolarHBondContact O-CB 3.43Å; D197-M200 PolarHBondContact O-N 2.98Å
198	E	73.5	Confident	82	Confident	48 Å²	48	50.5 Å²	50.5	22%	0.224	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.1	-28.5	178.6	-168.1	173.8	-161.4	0	0	112.5	M200 V201 H202 P225 T229	E198-M200 PolarHBondContact O-N 2.99Å; E198-V201 WeakPolarHBondContact O-CG2 3.34Å; E198-V201 PolarHBondContact O-N 2.77Å; E198-V201 VanDerWaalsContact O-N 3.11Å; E198-H202 PolarHBondContact O-N 3.01Å; E198-P225 HydrophobicContact CB-CB 4.16Å; E198-P225 HydrophobicContact CG-CB 4.38Å; E198-T229 PolarHBondContact OE2-OG1 2.89Å
199	R	82.3	Confident	81.6	Confident	101 Å²	101	53.1 Å²	53.1	38%	0.381	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-57.2	-32.2	174.1	-34.1	-179.9	-62.1	129.1	12.3	112.8	N173 D174 D197 V201 H202	N173-R199 PolarHBondContact O-NH2 3.5Å; D174-R199 VanDerWaalsContact C-NH2 3.32Å; D174-R199 PolarHBondContact O-NH1 3.38Å; D174-R199 PolarHBondContact O-NH2 3.04Å; D174-R199 IonicContact OD1-CZ 3.37Å; D197-R199 HydrophobicContact CB-CB 4.43Å; D197-R199 HydrophobicContact CB-CG 4.08Å; D197-R199 PolarHBondContact O-N 3.34Å; D197-R199 IonicContact OD2-CZ 2.99Å; D197-R199 IonicContact OD2-NE 3.73Å; D197-R199 IonicContact OD2-NH2 3.29Å; D197-R199 PolarHBondContact OD2-NH2 2.84Å; R199-V201 PolarHBondContact O-N 3.45Å; R199-H202 PolarHBondContact O-N 3.4Å
200	M	84.8	Confident	81.7	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-71.9	-18.1	-179.3	-60.9	-62.8	149.1	0	0	112.7	L176 P178 L181 W182 M196 D197 E198	L176-M200 HydrophobicContact CB-CE 3.72Å; L176-M200 HydrophobicContact CB-SD 4.4Å; L176-M200 HydrophobicContact CD2-CE 4.31Å; L176-M200 HydrophobicContact CD2-SD 4.24Å; L176-M200 HydrophobicContact CG-CE 4.15Å; L176-M200 HydrophobicContact CG-SD 4.18Å; L176-M200 WeakPolarHBondContact O-CE 3.4Å; P178-M200 HydrophobicContact CB-SD 4.22Å; P178-M200 HydrophobicContact CG-SD 3.96Å; L181-M200 HydrophobicContact CD2-CG 4.42Å; L181-M200 HydrophobicContact CD2-SD 4.35Å; W182-M200 PolarHBondContact NE1-O 3.19Å; M196-M200 HydrophobicContact CB-CB 4.22Å; M196-M200 HydrophobicContact CB-CG 4.19Å; M196-M200 HydrophobicContact CG-CB 4.01Å; M196-M200 HydrophobicContact SD-CB 3.64Å; D197-M200 HydrophobicContact CB-CG 4.41Å; D197-M200 VanDerWaalsContact O-CB 3.29Å; D197-M200 WeakPolarHBondContact O-CB 3.43Å; D197-M200 PolarHBondContact O-N 2.98Å; E198-M200 PolarHBondContact O-N 2.99Å
201	V	78.5	Confident	81.7	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.018	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-103.7	-3.2	174.4	-75.2	0	0	0	0	113.4	W182 M196 E198 R199 I223 V242	W182-V201 HydrophobicContact CZ2-CG1 4.01Å; M196-V201 HydrophobicContact SD-CG1 4.34Å; E198-V201 WeakPolarHBondContact O-CG2 3.34Å; E198-V201 PolarHBondContact O-N 2.77Å; E198-V201 VanDerWaalsContact O-N 3.11Å; R199-V201 PolarHBondContact O-N 3.45Å; V201-I223 HydrophobicContact CG1-CD1 4.01Å; V201-I223 HydrophobicContact CG1-CG2 4.04Å; V201-V242 HydrophobicContact CB-CG1 4.09Å; V201-V242 HydrophobicContact CB-CG2 4.28Å; V201-V242 WeakPolarHBondContact O-CG1 3.47Å
202	H	72.2	Confident	81.2	Confident	118 Å²	118	42.6 Å²	42.6	55%	0.546	22%	0.217	S	C	.	.			trans	-104.3	84.3	174.7	-78.6	-16.5	0	0	0	111.1	E198 R199	E198-H202 PolarHBondContact O-N 3.01Å; R199-H202 PolarHBondContact O-N 3.4Å
203	C	72.4	Confident	81.3	Confident	32 Å²	32	40 Å²	40	22%	0.216	21%	0.211	C	C	.	.			trans	-137.3	175.7	-178.8	53.7	0	0	0	0	111.8	C207	C203-C207 HydrophobicContact CB-CB 3.33Å; C203-C207 WeakPolarHBondContact CB-SG 2.94Å; C203-C207 WeakPolarHBondContact SG-CB 3.39Å; C203-C207 CovalentContact SG-SG 2.01Å; C203-C207 PolarHBondContact SG-SG 3.03Å
204	D	79.7	Confident	81.7	Confident	94 Å²	94	38.3 Å²	38.3	50%	0.503	20%	0.2	S	C	.	.			trans	-65.1	174.7	-179.6	63.2	32.7	0	0	0	113.5	E206 C207 I208	D204-E206 PolarHBondContact O-N 2.85Å; D204-E206 WeakPolarHBondContact OD1-CB 3.46Å; D204-E206 PolarHBondContact OD1-N 2.82Å; D204-E206 VanDerWaalsContact OD1-N 3.09Å; D204-C207 PolarHBondContact O-N 3.21Å; D204-C207 WeakPolarHBondContact OD1-CB 3.22Å; D204-C207 PolarHBondContact OD1-N 2.79Å; D204-I208 WeakPolarHBondContact O-CG1 3.23Å; D204-I208 PolarHBondContact O-N 3.29Å
205	C	76.7	Confident	81.5	Confident	71 Å²	71	39.4 Å²	39.4	48%	0.48	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-25.6	-177.8	-59.9	0	0	0	0	114.1	A209 C248	C205-A209 WeakPolarHBondContact O-CB 3.3Å; C205-A209 PolarHBondContact O-N 3.15Å; C205-C248 WeakPolarHBondContact CA-SG 3.39Å; C205-C248 HydrophobicContact CB-CB 3.73Å; C205-C248 WeakPolarHBondContact CB-SG 3.3Å; C205-C248 VanDerWaalsContact SG-CA 3.57Å; C205-C248 WeakPolarHBondContact SG-CB 3.45Å; C205-C248 CovalentContact SG-SG 2.05Å; C205-C248 PolarHBondContact SG-SG 3.02Å
206	E	82.3	Confident	81.3	Confident	127 Å²	127	44 Å²	44	59%	0.593	23%	0.231	S	C	*	.	H	α-helix	trans	-71.5	-43.5	176.8	-164.2	-179.4	170.6	0	0	110.3	M179 D204 A209 L210	M179-E206 HydrophobicContact CE-CB 4.36Å; D204-E206 PolarHBondContact O-N 2.85Å; D204-E206 WeakPolarHBondContact OD1-CB 3.46Å; D204-E206 PolarHBondContact OD1-N 2.82Å; D204-E206 VanDerWaalsContact OD1-N 3.09Å; E206-A209 PolarHBondContact O-N 3.15Å; E206-L210 PolarHBondContact O-N 3.11Å; E206-L210 VanDerWaalsContact O-N 3.16Å
207	C	82.5	Confident	81.2	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-42.9	173.7	174.7	0	0	0	0	111.4	M179 C203 D204 A209 L210 I211	M179-C207 HydrophobicContact CE-CB 3.47Å; M179-C207 VanDerWaalsContact CE-CB 3.47Å; M179-C207 HydrophobicContact SD-CB 3.92Å; C203-C207 HydrophobicContact CB-CB 3.33Å; C203-C207 WeakPolarHBondContact CB-SG 2.94Å; C203-C207 WeakPolarHBondContact SG-CB 3.39Å; C203-C207 CovalentContact SG-SG 2.01Å; C203-C207 PolarHBondContact SG-SG 3.03Å; D204-C207 PolarHBondContact O-N 3.21Å; D204-C207 WeakPolarHBondContact OD1-CB 3.22Å; D204-C207 PolarHBondContact OD1-N 2.79Å; C207-A209 VanDerWaalsContact C-N 3.32Å; C207-A209 PolarHBondContact O-N 2.8Å; C207-L210 CarbonylContact O-C 3.55Å; C207-L210 WeakPolarHBondContact O-CA 3.49Å; C207-L210 VanDerWaalsContact O-CB 3.25Å; C207-L210 WeakPolarHBondContact O-CB 3.07Å; C207-L210 PolarHBondContact O-N 3.25Å; C207-I211 WeakPolarHBondContact O-CG1 3.16Å; C207-I211 PolarHBondContact O-N 3.01Å
208	I	81.2	Confident	81.3	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-36.7	177.8	-68.5	-175.5	0	0	0	112.2	D204 L210 I211 L212 A243 S246 F249	D204-I208 WeakPolarHBondContact O-CG1 3.23Å; D204-I208 PolarHBondContact O-N 3.29Å; I208-L210 VanDerWaalsContact C-N 3.28Å; I208-L210 PolarHBondContact O-N 3.42Å; I208-I211 HydrophobicContact CG1-CD1 4.48Å; I208-I211 PolarHBondContact O-N 3.07Å; I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 WeakPolarHBondContact O-CB 3.38Å; I208-L212 WeakPolarHBondContact O-CG 3.34Å; I208-L212 PolarHBondContact O-N 3.21Å; I208-A243 HydrophobicContact CG2-CB 4.42Å; I208-S246 WeakPolarHBondContact CD1-OG 3.38Å; I208-F249 HydrophobicContact CG2-CE2 4.03Å
209	A	82.1	Confident	81.1	Confident	55 Å²	55	53.6 Å²	53.6	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-40.2	171.4	0	0	0	0	0	111.5	C205 E206 C207 L212 E213	C205-A209 WeakPolarHBondContact O-CB 3.3Å; C205-A209 PolarHBondContact O-N 3.15Å; E206-A209 PolarHBondContact O-N 3.15Å; C207-A209 VanDerWaalsContact C-N 3.32Å; C207-A209 PolarHBondContact O-N 2.8Å; A209-L212 PolarHBondContact O-N 3.46Å; A209-E213 PolarHBondContact O-N 3.03Å
210	L	87.4	Confident	80.5	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.12	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-44.6	175.1	-129.9	88.4	0	0	0	112.4	M179 W182 R183 E206 C207 I208 L212 E213 V214	M179-L210 HydrophobicContact SD-CD2 4.47Å; W182-L210 VanDerWaalsContact C-CD2 3.49Å; W182-L210 HydrophobicContact CB-CB 4.41Å; W182-L210 HydrophobicContact CB-CD2 3.81Å; R183-L210 HydrophobicContact CB-CD2 4.19Å; R183-L210 HydrophobicContact CG-CD2 3.49Å; R183-L210 VanDerWaalsContact CG-CD2 3.49Å; E206-L210 PolarHBondContact O-N 3.11Å; E206-L210 VanDerWaalsContact O-N 3.16Å; C207-L210 CarbonylContact O-C 3.55Å; C207-L210 WeakPolarHBondContact O-CA 3.49Å; C207-L210 VanDerWaalsContact O-CB 3.25Å; C207-L210 WeakPolarHBondContact O-CB 3.07Å; C207-L210 PolarHBondContact O-N 3.25Å; I208-L210 VanDerWaalsContact C-N 3.28Å; I208-L210 PolarHBondContact O-N 3.42Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 2.97Å; L210-E213 WeakPolarHBondContact O-CB 3.39Å; L210-E213 PolarHBondContact O-N 2.77Å; L210-E213 VanDerWaalsContact O-N 3.15Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 3.38Å
211	I	86.9	Confident	80.2	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-48.1	175.8	-63.4	175.5	0	0	0	109.8	W182 C207 I208 E213 V214 V215 I223 V239	W182-I211 HydrophobicContact CD2-CB 4.42Å; W182-I211 HydrophobicContact CD2-CD1 4.48Å; W182-I211 HydrophobicContact CD2-CG1 3.59Å; W182-I211 VanDerWaalsContact CE2-CG1 3.46Å; W182-I211 HydrophobicContact CE3-CB 4.44Å; W182-I211 HydrophobicContact CE3-CG1 4.09Å; W182-I211 HydrophobicContact CG-CG1 3.87Å; W182-I211 HydrophobicContact CH2-CG1 4.4Å; W182-I211 HydrophobicContact CH2-CG2 3.97Å; W182-I211 HydrophobicContact CZ2-CD1 4.17Å; W182-I211 HydrophobicContact CZ2-CG1 3.9Å; W182-I211 HydrophobicContact CZ2-CG2 4.11Å; W182-I211 HydrophobicContact CZ3-CG1 4.47Å; W182-I211 HydrophobicContact CZ3-CG2 4.17Å; C207-I211 WeakPolarHBondContact O-CG1 3.16Å; C207-I211 PolarHBondContact O-N 3.01Å; I208-I211 HydrophobicContact CG1-CD1 4.48Å; I208-I211 PolarHBondContact O-N 3.07Å; I211-E213 VanDerWaalsContact C-N 3.32Å; I211-E213 PolarHBondContact O-N 3.08Å; I211-V214 PolarHBondContact O-N 2.74Å; I211-V215 HydrophobicContact CG2-CG2 4.27Å; I211-V215 WeakPolarHBondContact O-CB 3.28Å; I211-V215 WeakPolarHBondContact O-CG2 3.45Å; I211-V215 PolarHBondContact O-N 2.84Å; I211-I223 HydrophobicContact CG2-CD1 4.41Å; I211-V239 HydrophobicContact CG2-CG1 3.62Å; I211-V239 HydrophobicContact CG2-CG2 4.28Å
212	L	80.7	Confident	79.9	Confident	24 Å²	24	63.2 Å²	63.2	13%	0.126	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-36.4	178.6	-77.1	165.5	0	0	0	112.6	I208 A209 L210 V215 N216 V239 A243 F249	I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 WeakPolarHBondContact O-CB 3.38Å; I208-L212 WeakPolarHBondContact O-CG 3.34Å; I208-L212 PolarHBondContact O-N 3.21Å; A209-L212 PolarHBondContact O-N 3.46Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 2.97Å; L212-V215 PolarHBondContact O-N 2.97Å; L212-N216 VanDerWaalsContact O-CB 3.31Å; L212-N216 WeakPolarHBondContact O-CB 3.49Å; L212-N216 PolarHBondContact O-N 3.04Å; L212-V239 HydrophobicContact CD2-CG1 3.62Å; L212-V239 HydrophobicContact CG-CG1 4.07Å; L212-A243 HydrophobicContact CD1-CB 4.21Å; L212-A243 HydrophobicContact CD2-CB 4.38Å; L212-F249 HydrophobicContact CD1-CD2 4.42Å; L212-F249 HydrophobicContact CD1-CE1 4.22Å; L212-F249 HydrophobicContact CD1-CE2 3.22Å; L212-F249 HydrophobicContact CD1-CZ 3.09Å
213	E	86.4	Confident	80	Confident	77 Å²	77	57.8 Å²	57.8	36%	0.36	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-47	173.8	-162.5	-179.4	-175.2	0	0	111.1	R186 A209 L210 I211 V215 N216 Q217	R186-E213 WeakPolarHBondContact CD-OE2 3.43Å; R186-E213 IonicContact CZ-OE1 2.73Å; R186-E213 IonicContact CZ-OE2 3.08Å; R186-E213 VanDerWaalsContact CZ-OE2 3.3Å; R186-E213 IonicContact NE-OE1 3.37Å; R186-E213 PolarHBondContact NE-OE1 2.82Å; R186-E213 IonicContact NE-OE2 3.5Å; R186-E213 PolarHBondContact NE-OE2 3.48Å; R186-E213 IonicContact NH1-OE1 3.15Å; R186-E213 PolarHBondContact NH1-OE1 3.31Å; R186-E213 IonicContact NH1-OE2 3.2Å; R186-E213 PolarHBondContact NH1-OE2 3.24Å; R186-E213 IonicContact NH2-OE1 3.44Å; R186-E213 PolarHBondContact NH2-OE1 2.84Å; A209-E213 PolarHBondContact O-N 3.03Å; L210-E213 WeakPolarHBondContact O-CB 3.39Å; L210-E213 PolarHBondContact O-N 2.77Å; L210-E213 VanDerWaalsContact O-N 3.15Å; I211-E213 VanDerWaalsContact C-N 3.32Å; I211-E213 PolarHBondContact O-N 3.08Å; E213-V215 VanDerWaalsContact C-N 3.33Å; E213-V215 PolarHBondContact O-N 2.82Å; E213-N216 PolarHBondContact O-N 2.93Å; E213-Q217 WeakPolarHBondContact O-CB 3.34Å; E213-Q217 PolarHBondContact O-N 3.01Å
214	V	88.3	Confident	79.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-40.2	177.5	177	0	0	0	0	111.8	W182 L185 R186 L210 I211 Q217 N218 L221	W182-V214 HydrophobicContact CE3-CB 4.02Å; W182-V214 HydrophobicContact CE3-CG1 4.16Å; W182-V214 HydrophobicContact CE3-CG2 3.96Å; W182-V214 HydrophobicContact CZ3-CB 4.05Å; W182-V214 HydrophobicContact CZ3-CG1 3.91Å; W182-V214 HydrophobicContact CZ3-CG2 4.48Å; L185-V214 HydrophobicContact CB-CG1 4.03Å; L185-V214 HydrophobicContact CB-CG2 4.26Å; R186-V214 HydrophobicContact CB-CG2 4.04Å; R186-V214 HydrophobicContact CG-CG2 4.33Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 3.38Å; I211-V214 PolarHBondContact O-N 2.74Å; V214-Q217 WeakPolarHBondContact O-CB 3.25Å; V214-Q217 PolarHBondContact O-N 3.04Å; V214-N218 WeakPolarHBondContact O-CB 3.43Å; V214-N218 PolarHBondContact O-N 2.98Å; V214-N218 PolarHBondContact O-ND2 2.86Å; V214-L221 HydrophobicContact CG1-CD2 4.05Å
215	V	82.1	Confident	78.9	Confident	24 Å²	24	56 Å²	56	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-75.9	-38	-177.5	173.2	0	0	0	0	111.6	I211 L212 E213 Q217 N218 R219 L221 V239	I211-V215 HydrophobicContact CG2-CG2 4.27Å; I211-V215 WeakPolarHBondContact O-CB 3.28Å; I211-V215 WeakPolarHBondContact O-CG2 3.45Å; I211-V215 PolarHBondContact O-N 2.84Å; L212-V215 PolarHBondContact O-N 2.97Å; E213-V215 VanDerWaalsContact C-N 3.33Å; E213-V215 PolarHBondContact O-N 2.82Å; V215-Q217 PolarHBondContact O-N 3.16Å; V215-N218 CarbonylContact O-C 3.58Å; V215-N218 PolarHBondContact O-N 2.92Å; V215-N218 VanDerWaalsContact O-O 3.04Å; V215-R219 PolarHBondContact O-N 2.93Å; V215-L221 HydrophobicContact CG2-CD2 4.02Å; V215-V239 HydrophobicContact CB-CB 4.18Å; V215-V239 HydrophobicContact CB-CG1 4.21Å; V215-V239 HydrophobicContact CB-CG2 3.97Å; V215-V239 HydrophobicContact CG1-CB 3.9Å; V215-V239 HydrophobicContact CG1-CG1 4.39Å; V215-V239 HydrophobicContact CG1-CG2 3.81Å; V215-V239 HydrophobicContact CG2-CB 3.85Å; V215-V239 HydrophobicContact CG2-CG1 3.91Å; V215-V239 HydrophobicContact CG2-CG2 3.17Å
216	N	80.2	Confident	77.9	Confident	108 Å²	108	54.4 Å²	54.4	58%	0.578	26%	0.257	S	S	*	.	H	α-helix	trans	-62.7	-36.6	170.8	-99.4	-25.8	0	0	0	111.7	L212 E213 N218	L212-N216 VanDerWaalsContact O-CB 3.31Å; L212-N216 WeakPolarHBondContact O-CB 3.49Å; L212-N216 PolarHBondContact O-N 3.04Å; E213-N216 PolarHBondContact O-N 2.93Å; N216-N218 VanDerWaalsContact C-N 3.33Å
217	Q	83.8	Confident	76	Confident	70 Å²	70	52.6 Å²	52.6	33%	0.327	26%	0.264	S	S	.	.	H	α-helix	trans	-68.6	-33.7	175.5	-169.6	174.5	-59.2	0	0	112	R186 E213 V214 V215	R186-Q217 PolarHBondContact O-NE2 3.08Å; R186-Q217 PolarHBondContact O-OE1 2.95Å; E213-Q217 WeakPolarHBondContact O-CB 3.34Å; E213-Q217 PolarHBondContact O-N 3.01Å; V214-Q217 WeakPolarHBondContact O-CB 3.25Å; V214-Q217 PolarHBondContact O-N 3.04Å; V215-Q217 PolarHBondContact O-N 3.16Å
218	N	82.5	Confident	74.1	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	30%	0.296	C	S	.	.	S	Bend	trans	-116.6	75.5	-179.2	-66.5	-77.2	0	0	0	111.2	A188 R189 E190 L191 V214 V215 N216 W220 L221	A188-N218 PolarHBondContact O-ND2 2.02Å; A188-N218 PolarHBondContact O-OD1 2.75Å; R189-N218 PolarHBondContact O-OD1 2.76Å; R189-N218 VanDerWaalsContact O-OD1 3.07Å; E190-N218 PolarHBondContact N-OD1 2.6Å; L191-N218 PolarHBondContact N-OD1 3.41Å; L191-N218 WeakPolarHBondContact O-CB 3.49Å; L191-N218 PolarHBondContact O-OD1 3.01Å; V214-N218 WeakPolarHBondContact O-CB 3.43Å; V214-N218 PolarHBondContact O-N 2.98Å; V214-N218 PolarHBondContact O-ND2 2.86Å; V215-N218 CarbonylContact O-C 3.58Å; V215-N218 PolarHBondContact O-N 2.92Å; V215-N218 VanDerWaalsContact O-O 3.04Å; N216-N218 VanDerWaalsContact C-N 3.33Å; N218-W220 PolarHBondContact O-N 2.86Å; N218-L221 HydrophobicContact CB-CB 3.82Å; N218-L221 HydrophobicContact CB-CD2 4.38Å; N218-L221 WeakPolarHBondContact O-CB 3.16Å; N218-L221 PolarHBondContact O-N 3.05Å
219	R	69.9	Low	72	Confident	182 Å²	182	59.1 Å²	59.1	69%	0.687	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-21.6	-171.1	-75.2	-173.4	178.2	-165	-1.1	116.8	V215	V215-R219 PolarHBondContact O-N 2.93Å
220	W	69.3	Low	69.7	Low	213 Å²	213	63.2 Å²	63.2	81%	0.807	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	11.2	-179.3	-56.2	102	0	0	0	112.6	N218 K222	N218-W220 PolarHBondContact O-N 2.86Å; W220-K222 PolarHBondContact O-N 3.49Å; W220-K222 VanDerWaalsContact O-N 3.16Å
221	L	78.2	Confident	66.9	Low	15 Å²	15	66 Å²	66	8%	0.079	35%	0.348	C	S	.	.			trans	-67.3	110.7	-179.2	-178.2	57.9	0	0	0	110.6	L191 R192 A194 V214 V215 N218 I223	L191-L221 HydrophobicContact CB-CD1 4.2Å; L191-L221 HydrophobicContact CD2-CD1 3.68Å; L191-L221 HydrophobicContact CD2-CD2 4.15Å; L191-L221 HydrophobicContact CG-CD1 3.65Å; R192-L221 CarbonylContact O-C 3.58Å; R192-L221 VanDerWaalsContact O-CA 3.31Å; R192-L221 WeakPolarHBondContact O-CA 3.36Å; A194-L221 HydrophobicContact CB-CD1 3.86Å; V214-L221 HydrophobicContact CG1-CD2 4.05Å; V215-L221 HydrophobicContact CG2-CD2 4.02Å; N218-L221 HydrophobicContact CB-CB 3.82Å; N218-L221 HydrophobicContact CB-CD2 4.38Å; N218-L221 WeakPolarHBondContact O-CB 3.16Å; N218-L221 PolarHBondContact O-N 3.05Å; L221-I223 HydrophobicContact CG-CG1 4.4Å
222	K	72.7	Confident	64.2	Low	80 Å²	80	70.9 Å²	70.9	35%	0.348	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.9	170.2	-164.4	168.9	-175.4	171.6	0	108.5	R192 V193 A194 W220 I224 T234	R192-K222 PolarHBondContact O-N 2.82Å; V193-K222 WeakPolarHBondContact CA-O 3.3Å; A194-K222 PolarHBondContact N-O 2.69Å; W220-K222 PolarHBondContact O-N 3.49Å; W220-K222 VanDerWaalsContact O-N 3.16Å; K222-I224 HydrophobicContact CG-CG1 4.37Å; K222-T234 WeakPolarHBondContact CE-O 3.12Å; K222-T234 PolarHBondContact NZ-O 2.88Å
223	I	75.6	Confident	61.9	Low	3 Å²	3	73.6 Å²	73.6	2%	0.015	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.8	170.8	-55.9	175.5	0	0	0	107.1	W182 A194 M196 V201 I211 L221 P225 G236 I237 V239	W182-I223 HydrophobicContact CH2-CD1 3.53Å; W182-I223 HydrophobicContact CH2-CG1 4.32Å; W182-I223 HydrophobicContact CZ2-CD1 4.09Å; A194-I223 WeakPolarHBondContact O-CA 3.47Å; M196-I223 HydrophobicContact CE-CG2 4.32Å; M196-I223 HydrophobicContact CG-CG2 3.97Å; M196-I223 HydrophobicContact SD-CG2 4.1Å; V201-I223 HydrophobicContact CG1-CD1 4.01Å; V201-I223 HydrophobicContact CG1-CG2 4.04Å; I211-I223 HydrophobicContact CG2-CD1 4.41Å; L221-I223 HydrophobicContact CG-CG1 4.4Å; I223-P225 WeakPolarHBondContact O-CD 3.19Å; I223-G236 WeakPolarHBondContact O-CA 3.31Å; I223-I237 PolarHBondContact O-N 2.9Å; I223-V239 HydrophobicContact CD1-CG2 3.43Å; I223-V239 VanDerWaalsContact CD1-CG2 3.43Å; I223-V239 HydrophobicContact CG1-CG2 4.24Å
224	I	68.2	Low	59.5	Low	67 Å²	67	76.2 Å²	76.2	34%	0.344	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	99.7	177.1	-54.3	177.7	0	0	0	106.5	V193 A194 S195 M196 K222	V193-I224 HydrophobicContact CG1-CD1 3.61Å; V193-I224 HydrophobicContact CG1-CG1 4.18Å; A194-I224 PolarHBondContact O-N 2.78Å; S195-I224 WeakPolarHBondContact CA-O 3.23Å; M196-I224 PolarHBondContact N-O 2.83Å; M196-I224 VanDerWaalsContact N-O 3.15Å; K222-I224 HydrophobicContact CG-CG1 4.37Å
225	P	60.7	Low	57.3	Low	23 Å²	23	81.6 Å²	81.6	15%	0.149	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	141.5	171.3	-5.2	17.8	0	0	0	108.6	M196 E198 I223 A227 I237	M196-P225 WeakPolarHBondContact O-CA 3.44Å; E198-P225 HydrophobicContact CB-CB 4.16Å; E198-P225 HydrophobicContact CG-CB 4.38Å; I223-P225 WeakPolarHBondContact O-CD 3.19Å; P225-A227 PolarHBondContact O-N 2.75Å; P225-I237 HydrophobicContact CB-CD1 4.48Å; P225-I237 HydrophobicContact CG-CB 4.48Å; P225-I237 HydrophobicContact CG-CD1 3.34Å; P225-I237 HydrophobicContact CG-CG1 3.68Å
226	D	54.6	Low	55.5	Low	36 Å²	36	81.6 Å²	81.6	19%	0.193	46%	0.459	C	S	.	.			trans	-55.6	120.2	175.3	-160	31.2	0	0	0	109.9	R171 M196 A228	R171-D226 WeakPolarHBondContact CD-OD1 3.37Å; R171-D226 HydrophobicContact CG-CB 4.21Å; R171-D226 IonicContact CZ-OD1 3.42Å; R171-D226 IonicContact NE-OD1 2.76Å; R171-D226 IonicContact NH1-OD1 3.09Å; R171-D226 PolarHBondContact NH1-OD1 2.79Å; M196-D226 PolarHBondContact O-N 3.29Å; M196-D226 VanDerWaalsContact O-N 3.1Å; D226-A228 PolarHBondContact O-N 2.94Å
227	A	43.8	Very low	54	Low	89 Å²	89	78.4 Å²	78.4	74%	0.736	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	28.8	-170.1	0	0	0	0	0	113.1	P225 T229	P225-A227 PolarHBondContact O-N 2.75Å; A227-T229 VanDerWaalsContact C-N 3.34Å
228	A	40.7	Very low	52.5	Low	83 Å²	83	77.9 Å²	77.9	69%	0.686	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.3	179.7	0	0	0	0	0	113.3	D226	D226-A228 PolarHBondContact O-N 2.94Å
229	T	37.2	Very low	50.9	Low	61 Å²	61	77.9 Å²	77.9	37%	0.374	45%	0.446	S	S	.	.	S	Bend	trans	-123.1	-28.5	-174	39.7	0	0	0	0	116.8	E198 A227 K981	E198-T229 PolarHBondContact OE2-OG1 2.89Å; A227-T229 VanDerWaalsContact C-N 3.34Å; T229-K981 PolarHBondContact O-NZ 3.18Å
230	H	34	Very low	50.1	Low	140 Å²	140	76.9 Å²	76.9	65%	0.648	44%	0.443	S	S	*	.			trans	-144.2	125.5	-178.1	-77.2	-78	0	0	0	113.9	S232	H230-S232 PolarHBondContact O-N 3.2Å
231	A	28.5	Very low	49.5	Very low	81 Å²	81	70.7 Å²	70.7	67%	0.669	42%	0.423	S	S	*	.			trans	-69.5	117.8	164.5	0	0	0	0	0	109.2
232	S	31.2	Very low	48.4	Very low	106 Å²	106	70.5 Å²	70.5	74%	0.741	42%	0.423	S	S	*	.			trans	163.8	136.6	139.2	59.3	0	0	0	0	109.5	H230	H230-S232 PolarHBondContact O-N 3.2Å
233	S	32.5	Very low	47.5	Very low	81 Å²	81	67 Å²	67	57%	0.566	41%	0.409	S	S	*	.			trans	67.4	122.8	174.1	84.7	0	0	0	0	116.1	D235	S233-D235 PolarHBondContact O-N 2.75Å; S233-D235 PolarHBondContact OG-N 3.15Å; S233-D235 PolarHBondContact OG-O 3.06Å
234	T	34.8	Very low	46.5	Very low	132 Å²	132	71 Å²	71	81%	0.81	44%	0.438	S	S	*	.	S	Bend	trans	-66.7	16.2	154.4	33.5	0	0	0	0	111.6	K222	K222-T234 WeakPolarHBondContact CE-O 3.12Å; K222-T234 PolarHBondContact NZ-O 2.88Å
235	D	42.3	Very low	45.9	Very low	112 Å²	112	75.5 Å²	75.5	60%	0.599	45%	0.45	S	S	*	.	S	Bend	trans	-101	88.8	178.3	-59	-39	0	0	0	107.5	S233 I237	S233-D235 PolarHBondContact O-N 2.75Å; S233-D235 PolarHBondContact OG-N 3.15Å; S233-D235 PolarHBondContact OG-O 3.06Å; D235-I237 PolarHBondContact O-N 3.46Å
236	G	45.3	Very low	45.8	Very low	24 Å²	24	76 Å²	76	25%	0.247	45%	0.454	C	S	.	.			trans	-40.5	138.4	175.5	0	0	0	0	0	112.3	I223 S238	I223-G236 WeakPolarHBondContact O-CA 3.31Å; G236-S238 PolarHBondContact O-N 2.92Å; G236-S238 VanDerWaalsContact O-N 3.11Å
237	I	49.1	Very low	45.9	Very low	41 Å²	41	82.8 Å²	82.8	21%	0.21	49%	0.485	C	S	.	.	B	Isolated β-bridge	trans	-56.3	120.1	-175.6	-56.7	-173.6	0	0	0	108	I223 P225 D235 V239 E241 V242	I223-I237 PolarHBondContact O-N 2.9Å; P225-I237 HydrophobicContact CB-CD1 4.48Å; P225-I237 HydrophobicContact CG-CB 4.48Å; P225-I237 HydrophobicContact CG-CD1 3.34Å; P225-I237 HydrophobicContact CG-CG1 3.68Å; D235-I237 PolarHBondContact O-N 3.46Å; I237-V239 PolarHBondContact O-N 3.13Å; I237-E241 HydrophobicContact CG2-CB 3.83Å; I237-V242 HydrophobicContact CG2-CG2 3.6Å
238	S	51	Low	46.8	Very low	60 Å²	60	80.1 Å²	80.1	42%	0.42	46%	0.46	S	S	.	.			trans	-64.5	138.2	171.7	87.2	0	0	0	0	107.7	G236 Y240 E241 V242	G236-S238 PolarHBondContact O-N 2.92Å; G236-S238 VanDerWaalsContact O-N 3.11Å; S238-Y240 PolarHBondContact O-N 3.39Å; S238-E241 WeakPolarHBondContact O-CA 3.26Å; S238-E241 WeakPolarHBondContact O-CB 3.31Å; S238-E241 PolarHBondContact O-N 3.42Å; S238-E241 PolarHBondContact OG-N 3.39Å; S238-V242 PolarHBondContact O-N 3.04Å
239	V	50.2	Low	47.4	Very low	7 Å²	7	81.5 Å²	81.5	4%	0.042	45%	0.451	C	S	.	.	H	α-helix	trans	-60.8	-23.6	178.9	172.4	0	0	0	0	111.8	I211 L212 V215 I223 I237 E241 V242 A243	I211-V239 HydrophobicContact CG2-CG1 3.62Å; I211-V239 HydrophobicContact CG2-CG2 4.28Å; L212-V239 HydrophobicContact CD2-CG1 3.62Å; L212-V239 HydrophobicContact CG-CG1 4.07Å; V215-V239 HydrophobicContact CB-CB 4.18Å; V215-V239 HydrophobicContact CB-CG1 4.21Å; V215-V239 HydrophobicContact CB-CG2 3.97Å; V215-V239 HydrophobicContact CG1-CB 3.9Å; V215-V239 HydrophobicContact CG1-CG1 4.39Å; V215-V239 HydrophobicContact CG1-CG2 3.81Å; V215-V239 HydrophobicContact CG2-CB 3.85Å; V215-V239 HydrophobicContact CG2-CG1 3.91Å; V215-V239 HydrophobicContact CG2-CG2 3.17Å; I223-V239 HydrophobicContact CD1-CG2 3.43Å; I223-V239 VanDerWaalsContact CD1-CG2 3.43Å; I223-V239 HydrophobicContact CG1-CG2 4.24Å; I237-V239 PolarHBondContact O-N 3.13Å; V239-E241 VanDerWaalsContact C-N 3.27Å; V239-E241 PolarHBondContact O-N 2.76Å; V239-V242 PolarHBondContact O-N 3.08Å; V239-A243 WeakPolarHBondContact O-CB 3.45Å; V239-A243 PolarHBondContact O-N 3.25Å
240	Y	51.4	Low	47.6	Very low	160 Å²	160	83.5 Å²	83.5	63%	0.627	47%	0.473	S	S	*	.	H	α-helix	trans	-62.5	-32.8	169.6	-83	-79.5	0	0	0	113	S238 S244	S238-Y240 PolarHBondContact O-N 3.39Å; Y240-S244 WeakPolarHBondContact O-CB 3.32Å; Y240-S244 PolarHBondContact O-N 3.26Å; Y240-S244 PolarHBondContact O-OG 3.06Å
241	E	57.9	Low	47.6	Very low	83 Å²	83	79.6 Å²	79.6	39%	0.388	47%	0.471	S	S	.	.	H	α-helix	trans	-71.7	-36.9	174.2	-121.1	-173.9	139.6	0	0	112.3	I237 S238 V239 S244 R245	I237-E241 HydrophobicContact CG2-CB 3.83Å; S238-E241 WeakPolarHBondContact O-CA 3.26Å; S238-E241 WeakPolarHBondContact O-CB 3.31Å; S238-E241 PolarHBondContact O-N 3.42Å; S238-E241 PolarHBondContact OG-N 3.39Å; V239-E241 VanDerWaalsContact C-N 3.27Å; V239-E241 PolarHBondContact O-N 2.76Å; E241-S244 WeakPolarHBondContact CA-OG 3.36Å; E241-S244 PolarHBondContact O-N 3.42Å; E241-S244 PolarHBondContact O-OG 3.13Å; E241-R245 VanDerWaalsContact O-CG 3.32Å; E241-R245 WeakPolarHBondContact O-CG 3.41Å; E241-R245 PolarHBondContact O-N 2.96Å; E241-R245 IonicContact OE1-NH2 3.79Å
242	V	55.3	Low	47.8	Very low	11 Å²	11	82 Å²	82	7%	0.067	48%	0.483	C	S	.	.	H	α-helix	trans	-67	-43.9	172.5	-178	0	0	0	0	110.4	V201 I237 S238 V239 S244 R245 S246	V201-V242 HydrophobicContact CB-CG1 4.09Å; V201-V242 HydrophobicContact CB-CG2 4.28Å; V201-V242 WeakPolarHBondContact O-CG1 3.47Å; I237-V242 HydrophobicContact CG2-CG2 3.6Å; S238-V242 PolarHBondContact O-N 3.04Å; V239-V242 PolarHBondContact O-N 3.08Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 3.4Å; V242-R245 PolarHBondContact O-N 3.26Å; V242-S246 PolarHBondContact O-N 2.77Å; V242-S246 PolarHBondContact O-OG 3.1Å
243	A	54.4	Low	47.8	Very low	8 Å²	8	81.1 Å²	81.1	7%	0.066	48%	0.482	C	S	.	.	H	α-helix	trans	-65.7	-34.2	177.1	0	0	0	0	0	112.3	I208 L212 V239 S246 F249	I208-A243 HydrophobicContact CG2-CB 4.42Å; L212-A243 HydrophobicContact CD1-CB 4.21Å; L212-A243 HydrophobicContact CD2-CB 4.38Å; V239-A243 WeakPolarHBondContact O-CB 3.45Å; V239-A243 PolarHBondContact O-N 3.25Å; A243-S246 PolarHBondContact O-OG 2.78Å; A243-F249 HydrophobicContact CB-CD2 4.04Å; A243-F249 HydrophobicContact CB-CE2 4.03Å
244	S	54.5	Low	47.7	Very low	87 Å²	87	85.9 Å²	85.9	61%	0.608	49%	0.493	S	S	*	.	H	α-helix	trans	-72.8	-27.8	177.3	66.6	0	0	0	0	112.9	Y240 E241 V242	Y240-S244 WeakPolarHBondContact O-CB 3.32Å; Y240-S244 PolarHBondContact O-N 3.26Å; Y240-S244 PolarHBondContact O-OG 3.06Å; E241-S244 WeakPolarHBondContact CA-OG 3.36Å; E241-S244 PolarHBondContact O-N 3.42Å; E241-S244 PolarHBondContact O-OG 3.13Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 3.4Å
245	R	55.2	Low	47.6	Very low	160 Å²	160	85.6 Å²	85.6	60%	0.604	50%	0.496	S	S	*	.	H	α-helix	trans	-81.7	-16.7	179.4	-72.5	180	-172.1	-163.6	6.7	114.4	E241 V242	E241-R245 VanDerWaalsContact O-CG 3.32Å; E241-R245 WeakPolarHBondContact O-CG 3.41Å; E241-R245 PolarHBondContact O-N 2.96Å; E241-R245 IonicContact OE1-NH2 3.79Å; V242-R245 PolarHBondContact O-N 3.26Å
246	S	57.8	Low	47.1	Very low	34 Å²	34	85 Å²	85	24%	0.238	51%	0.507	C	S	.	.	S	Bend	trans	-95	3.4	-169.4	49.3	0	0	0	0	115.9	I208 V242 A243 C248	I208-S246 WeakPolarHBondContact CD1-OG 3.38Å; V242-S246 PolarHBondContact O-N 2.77Å; V242-S246 PolarHBondContact O-OG 3.1Å; A243-S246 PolarHBondContact O-OG 2.78Å; S246-C248 PolarHBondContact O-N 2.78Å; S246-C248 PolarHBondContact O-SG 3.46Å; S246-C248 VanDerWaalsContact O-SG 3.38Å
247	H	57.2	Low	46.6	Very low	179 Å²	179	88.2 Å²	88.2	83%	0.829	52%	0.521	S	S	*	.	S	Bend	trans	55.4	4.7	-175.5	-63.1	-62.5	0	0	0	115.9	F249	H247-F249 VanDerWaalsContact C-N 3.3Å; H247-F249 PolarHBondContact O-N 3.42Å
248	C	63.5	Low	46.2	Very low	33 Å²	33	92.1 Å²	92.1	22%	0.223	55%	0.547	C	S	.	.			trans	-74.6	-15.1	-174.8	-68.5	0	0	0	0	114.4	C205 S246	C205-C248 WeakPolarHBondContact CA-SG 3.39Å; C205-C248 HydrophobicContact CB-CB 3.73Å; C205-C248 WeakPolarHBondContact CB-SG 3.3Å; C205-C248 VanDerWaalsContact SG-CA 3.57Å; C205-C248 WeakPolarHBondContact SG-CB 3.45Å; C205-C248 CovalentContact SG-SG 2.05Å; C205-C248 PolarHBondContact SG-SG 3.02Å; S246-C248 PolarHBondContact O-N 2.78Å; S246-C248 PolarHBondContact O-SG 3.46Å; S246-C248 VanDerWaalsContact O-SG 3.38Å
249	F	52.1	Low	46	Very low	111 Å²	111	96.7 Å²	96.7	49%	0.487	56%	0.562	S	S	.	*			trans	-106.6	69.9	179.9	-73.8	-82.4	0	0	0	112.5	I208 L212 A243 H247 G251	I208-F249 HydrophobicContact CG2-CE2 4.03Å; L212-F249 HydrophobicContact CD1-CD2 4.42Å; L212-F249 HydrophobicContact CD1-CE1 4.22Å; L212-F249 HydrophobicContact CD1-CE2 3.22Å; L212-F249 HydrophobicContact CD1-CZ 3.09Å; A243-F249 HydrophobicContact CB-CD2 4.04Å; A243-F249 HydrophobicContact CB-CE2 4.03Å; H247-F249 VanDerWaalsContact C-N 3.3Å; H247-F249 PolarHBondContact O-N 3.42Å; F249-G251 PolarHBondContact O-N 3.34Å
250	A	42	Very low	46.1	Very low	103 Å²	103	105.7 Å²	105.7	85%	0.851	60%	0.6	S	S	*	*			trans	-84.8	85	160.3	0	0	0	0	0	109.3
251	G	34.1	Very low	46.3	Very low	58 Å²	58	103.8 Å²	103.8	60%	0.598	60%	0.601	S	S	*	*	S	Bend	trans	100.4	128.7	165	0	0	0	0	0	116.6	F249	F249-G251 PolarHBondContact O-N 3.34Å
252	S	32.3	Very low	46.6	Very low	132 Å²	132	100.1 Å²	100.1	92%	0.923	59%	0.585	S	S	*	*			trans	102.1	20	157	82	0	0	0	0	122.6
253	A	31.5	Very low	47.4	Very low	87 Å²	87	102.6 Å²	102.6	72%	0.719	60%	0.598	S	S	*	*			trans	-118.8	59.7	169.3	0	0	0	0	0	113.5
254	K	31	Very low	48.4	Very low	182 Å²	182	103.9 Å²	103.9	79%	0.791	60%	0.603	S	S	*	*			trans	-113.1	132.6	163.8	-82.9	-176.8	175.9	179.3	0	108.1
255	S	31.9	Very low	49.5	Very low	126 Å²	126	101.4 Å²	101.4	88%	0.881	58%	0.583	S	S	*	*	S	Bend	trans	87.7	111.8	179.9	85.3	0	0	0	0	116
256	A	32.3	Very low	50.6	Low	99 Å²	99	96.6 Å²	96.6	82%	0.818	57%	0.567	S	S	*	*	S	Bend	trans	176.6	-19.8	140.3	0	0	0	0	0	116.4
257	V	33.9	Very low	51.4	Low	92 Å²	92	95.4 Å²	95.4	56%	0.558	56%	0.559	S	S	*	*	S	Bend	trans	-146.6	96.3	-167.6	-170.7	0	0	0	0	113.5
258	T	42	Very low	52	Low	123 Å²	123	92.1 Å²	92.1	76%	0.755	54%	0.544	S	S	*	.			trans	170.4	8.9	142	42.4	0	0	0	0	116.7	K260	T258-K260 PolarHBondContact O-N 2.86Å
259	E	46.5	Very low	52	Low	156 Å²	156	94.9 Å²	94.9	73%	0.729	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	7.1	-179.7	-74.6	-174	161.4	0	0	117.6	L331	E259-L331 WeakPolarHBondContact O-CD1 3.36Å
260	K	51.8	Low	52.3	Low	195 Å²	195	95.4 Å²	95.4	85%	0.848	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-13	-172.3	-79.4	-172.1	174.9	-178.6	0	116.9	T258	T258-K260 PolarHBondContact O-N 2.86Å
261	N	56.2	Low	53	Low	120 Å²	120	94.1 Å²	94.1	64%	0.642	54%	0.539	S	S	*	.	S	Bend	trans	-129	34.2	-169.8	-76.5	-11.3	0	0	0	115.2
262	A	63.1	Low	54	Low	6 Å²	6	97.9 Å²	97.9	5%	0.05	55%	0.553	C	S	.	*			trans	-96.7	144.2	-174.3	0	0	0	0	0	114.4	L306 I307 F308 L331	A262-L306 HydrophobicContact CB-CD2 3.18Å; A262-I307 CarbonylContact C-O 3.58Å; A262-I307 WeakPolarHBondContact CA-O 3.28Å; A262-F308 HydrophobicContact CB-CD1 3.53Å; A262-F308 HydrophobicContact CB-CE1 3.53Å; A262-F308 HydrophobicContact CB-CG 4.45Å; A262-F308 HydrophobicContact CB-CZ 4.45Å; A262-L331 HydrophobicContact CB-CD1 3.82Å; A262-L331 HydrophobicContact CB-CG 4.32Å
263	L	71.4	Confident	54.8	Low	64 Å²	64	95.8 Å²	95.8	34%	0.335	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	136	169.2	-71.7	167.9	0	0	0	109.7	L306 I307 I328	L263-L306 CarbonylContact O-C 3.48Å; L263-L306 WeakPolarHBondContact O-CA 3.21Å; L263-I307 PolarHBondContact N-O 3.38Å; L263-I307 PolarHBondContact O-N 2.69Å; L263-I328 HydrophobicContact CD2-CG2 4.12Å
264	L	76.3	Confident	55.8	Low	34 Å²	34	100.5 Å²	100.5	18%	0.178	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.3	175.5	178.2	69.8	0	0	0	109.6	V300 R304 L305 L306 I328 K329	L264-V300 HydrophobicContact CD1-CG2 4.2Å; L264-R304 HydrophobicContact CD1-CB 4.01Å; L264-R304 HydrophobicContact CD1-CG 4.33Å; L264-L305 CarbonylContact C-O 3.51Å; L264-L305 WeakPolarHBondContact CA-O 3.3Å; L264-L306 HydrophobicContact CD1-CG 4.35Å; L264-I328 CarbonylContact O-C 3.41Å; L264-I328 WeakPolarHBondContact O-CA 3.46Å; L264-K329 HydrophobicContact CB-CB 4.37Å; L264-K329 PolarHBondContact N-O 2.92Å; L264-K329 PolarHBondContact O-N 3.46Å
265	L	78.1	Confident	56.4	Low	36 Å²	36	98 Å²	98	19%	0.188	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.7	162.5	-73.8	92.6	0	0	0	109.3	W282 R304 L305 I307 I328	L265-W282 HydrophobicContact CB-CH2 3.66Å; L265-W282 HydrophobicContact CB-CZ3 3.98Å; L265-W282 HydrophobicContact CD2-CZ3 4.19Å; L265-R304 CarbonylContact O-C 3.51Å; L265-R304 VanDerWaalsContact O-CA 3.25Å; L265-R304 WeakPolarHBondContact O-CA 3.3Å; L265-L305 HydrophobicContact CB-CB 4.36Å; L265-L305 PolarHBondContact N-O 2.84Å; L265-L305 PolarHBondContact O-N 3.25Å; L265-I307 HydrophobicContact CD1-CD1 3.31Å; L265-I307 HydrophobicContact CD1-CG1 3.88Å; L265-I328 HydrophobicContact CG-CG1 4.22Å
266	E	78.4	Confident	57.4	Low	58 Å²	58	95.2 Å²	95.2	27%	0.271	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.2	178.2	-173.6	170.9	-140.2	0	0	109.3	R303 R304 C326 T327 K329	E266-R303 WeakPolarHBondContact CA-O 3.42Å; E266-R304 HydrophobicContact CB-CG 4.26Å; E266-R304 HydrophobicContact CG-CG 3.9Å; E266-C326 CarbonylContact O-C 3.58Å; E266-C326 WeakPolarHBondContact O-CA 3.19Å; E266-T327 PolarHBondContact N-O 3.12Å; E266-T327 PolarHBondContact O-N 2.98Å; E266-T327 PolarHBondContact O-OG1 3.47Å; E266-K329 VanDerWaalsContact OE2-CE 3.3Å; E266-K329 WeakPolarHBondContact OE2-CE 3.13Å; E266-K329 IonicContact OE2-NZ 2.63Å; E266-K329 PolarHBondContact OE2-NZ 2.91Å
267	C	74.6	Confident	58.1	Low	9 Å²	9	98 Å²	98	6%	0.061	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.4	-177.5	-62.6	0	0	0	0	111.7	I280 W282 R303 G325 C326	C267-I280 HydrophobicContact CB-CD1 4.21Å; C267-W282 HydrophobicContact CB-CH2 4.5Å; C267-W282 WeakPolarHBondContact SG-CH2 3.46Å; C267-R303 PolarHBondContact N-O 2.77Å; C267-G325 WeakPolarHBondContact CA-O 3.45Å; C267-C326 HydrophobicContact CB-CB 4.14Å; C267-C326 WeakPolarHBondContact CB-SG 3.45Å; C267-C326 WeakPolarHBondContact SG-CB 3.45Å; C267-C326 CovalentContact SG-SG 2.04Å; C267-C326 PolarHBondContact SG-SG 3.27Å
268	Q	68.3	Low	59.1	Low	111 Å²	111	97.9 Å²	97.9	52%	0.519	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.8	-179	50.9	-178.5	-19.1	0	0	111.1	Y324 G325	Q268-Y324 CarbonylContact O-C 3.53Å; Q268-Y324 WeakPolarHBondContact O-CA 3.28Å; Q268-G325 PolarHBondContact N-O 2.94Å; Q268-G325 PolarHBondContact O-N 3.27Å
269	W	64.1	Low	59.9	Low	90 Å²	90	96.6 Å²	96.6	34%	0.341	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	135.4	174.3	-67.8	92	0	0	0	110.2	T271 L273 R323	W269-T271 VanDerWaalsContact C-N 3.25Å; W269-T271 PolarHBondContact O-N 2.85Å; W269-L273 HydrophobicContact CE3-CD1 4.34Å; W269-L273 HydrophobicContact CZ3-CD1 4.48Å; W269-R323 HydrophobicContact CE3-CB 4.41Å; W269-R323 HydrophobicContact CZ3-CB 4.24Å
270	D	58.8	Low	60.9	Low	123 Å²	123	91 Å²	91	66%	0.658	50%	0.497	S	S	*	.	S	Bend	trans	-75.8	-11	179.8	-88.7	-12.3	0	0	0	113.4	R323	D270-R323 PolarHBondContact N-O 2.99Å
271	T	57.1	Low	61.6	Low	75 Å²	75	85.6 Å²	85.6	46%	0.46	48%	0.476	S	S	.	.	S	Bend	trans	-136.1	131	177.5	38.3	0	0	0	0	111.3	W269 L273	W269-T271 VanDerWaalsContact C-N 3.25Å; W269-T271 PolarHBondContact O-N 2.85Å; T271-L273 PolarHBondContact O-N 3.11Å; T271-L273 VanDerWaalsContact O-N 3.14Å
272	P	54.7	Low	62.4	Low	137 Å²	137	81.4 Å²	81.4	89%	0.89	45%	0.451	S	S	*	.			trans	-65.3	112.9	171.7	26.2	-29.7	0	0	0	109
273	L	49.4	Very low	62.6	Low	88 Å²	88	86.2 Å²	86.2	46%	0.461	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-96.3	142.4	172.3	-79.3	159	0	0	0	108.4	W269 T271	W269-L273 HydrophobicContact CE3-CD1 4.34Å; W269-L273 HydrophobicContact CZ3-CD1 4.48Å; T271-L273 PolarHBondContact O-N 3.11Å; T271-L273 VanDerWaalsContact O-N 3.14Å
274	E	51.6	Low	62.1	Low	187 Å²	187	87.5 Å²	87.5	87%	0.874	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-54.4	145.4	-175.5	-67.8	-178.7	162.7	0	0	113.3
275	S	44.6	Very low	61.1	Low	128 Å²	128	93 Å²	93	90%	0.895	51%	0.508	S	S	*	.	S	Bend	trans	-61.3	126.9	-170.5	53.5	0	0	0	0	113.8
276	G	52.9	Low	59.9	Low	68 Å²	68	94.3 Å²	94.3	70%	0.701	53%	0.53	S	S	*	.	S	Bend	trans	173.1	-61.2	170.3	0	0	0	0	0	115.8
277	D	46.8	Very low	58.5	Low	159 Å²	159	98.8 Å²	98.8	85%	0.85	55%	0.551	S	S	*	*			trans	-145.6	72.4	-163.7	-78.1	-43.1	0	0	0	113.3
278	Q	54.4	Low	58.1	Low	88 Å²	88	105.7 Å²	105.7	41%	0.411	58%	0.576	S	S	.	*			trans	-134.6	85.8	-178.4	-67.3	-179.5	18	0	0	113.6
279	T	58.7	Low	58.1	Low	97 Å²	97	100.9 Å²	100.9	60%	0.595	55%	0.554	S	S	*	*			trans	-95.9	123.9	164.7	19.3	0	0	0	0	110.2
280	I	67	Low	57.9	Low	39 Å²	39	103.3 Å²	103.3	20%	0.2	57%	0.573	C	S	.	*			trans	-77.8	131.1	164.7	-71.4	172.3	0	0	0	107.2	C267 D302 R303	C267-I280 HydrophobicContact CB-CD1 4.21Å; I280-D302 WeakPolarHBondContact CB-O 3.32Å; I280-D302 WeakPolarHBondContact CG2-O 3.38Å; I280-R303 HydrophobicContact CD1-CG 4.12Å
281	I	66.7	Low	57.8	Low	80 Å²	80	101.5 Å²	101.5	41%	0.41	57%	0.567	S	S	.	*			trans	-109.5	117.8	178.3	-56.4	176.9	0	0	0	107.3	L283 R288	I281-L283 HydrophobicContact CG2-CD2 3.91Å; I281-L283 PolarHBondContact O-N 3.32Å; I281-R288 HydrophobicContact CG2-CB 4.15Å; I281-R288 HydrophobicContact CG2-CG 3.51Å
282	W	72.4	Confident	57.8	Low	32 Å²	32	104.8 Å²	104.8	12%	0.121	58%	0.581	C	S	.	*			trans	-76.7	123.7	173.5	-64.2	94.2	0	0	0	109.4	L265 C267 R288 I289 V299 D302 L305	L265-W282 HydrophobicContact CB-CH2 3.66Å; L265-W282 HydrophobicContact CB-CZ3 3.98Å; L265-W282 HydrophobicContact CD2-CZ3 4.19Å; C267-W282 HydrophobicContact CB-CH2 4.5Å; C267-W282 WeakPolarHBondContact SG-CH2 3.46Å; W282-R288 WeakPolarHBondContact O-CA 3.43Å; W282-I289 HydrophobicContact CB-CB 4.18Å; W282-I289 HydrophobicContact CB-CD1 3.82Å; W282-I289 HydrophobicContact CB-CG1 4.2Å; W282-I289 PolarHBondContact O-N 2.8Å; W282-V299 HydrophobicContact CB-CG2 4.28Å; W282-V299 HydrophobicContact CG-CG2 4.27Å; W282-D302 PolarHBondContact NE1-O 3.28Å; W282-L305 HydrophobicContact CD2-CB 3.65Å; W282-L305 HydrophobicContact CD2-CD1 4.46Å; W282-L305 HydrophobicContact CD2-CD2 4.11Å; W282-L305 HydrophobicContact CD2-CG 4.29Å; W282-L305 HydrophobicContact CE3-CB 3.75Å; W282-L305 HydrophobicContact CE3-CD2 3.64Å; W282-L305 HydrophobicContact CE3-CG 4.24Å; W282-L305 HydrophobicContact CG-CB 4.3Å; W282-L305 HydrophobicContact CG-CD1 4.33Å; W282-L305 HydrophobicContact CH2-CB 3.81Å; W282-L305 HydrophobicContact CZ2-CB 3.72Å; W282-L305 HydrophobicContact CZ3-CB 3.83Å; W282-L305 HydrophobicContact CZ3-CD2 4.05Å
283	L	67.4	Low	57.6	Low	108 Å²	108	103.5 Å²	103.5	57%	0.565	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.3	133.1	174.9	-55.1	176.5	0	0	0	108.6	I281 Q287 R288	I281-L283 HydrophobicContact CG2-CD2 3.91Å; I281-L283 PolarHBondContact O-N 3.32Å; L283-Q287 CarbonylContact C-O 3.4Å; L283-Q287 VanDerWaalsContact CA-O 3.22Å; L283-Q287 WeakPolarHBondContact CA-O 3.46Å; L283-R288 HydrophobicContact CD2-CB 4.02Å
284	K	62.3	Low	58	Low	90 Å²	90	100.9 Å²	100.9	39%	0.391	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	121.7	164.3	-175.9	-173.9	172.3	-165.1	0	107.2	G286 Q287 I289 Y297	K284-G286 PolarHBondContact O-N 2.93Å; K284-Q287 PolarHBondContact N-O 3.03Å; K284-Q287 PolarHBondContact O-N 2.91Å; K284-I289 HydrophobicContact CB-CD1 4.23Å; K284-I289 HydrophobicContact CB-CG1 4.03Å; K284-Y297 HydrophobicContact CD-CD1 4.36Å; K284-Y297 HydrophobicContact CD-CE1 3.6Å
285	D	54.4	Low	58.2	Low	149 Å²	149	97.1 Å²	97.1	80%	0.797	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.8	38.8	-179.3	-51.6	-41.9	0	0	0	113.1	Q287	D285-Q287 PolarHBondContact O-N 2.98Å
286	G	52.7	Low	59.2	Low	64 Å²	64	94.1 Å²	94.1	66%	0.66	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-12.1	-179.1	0	0	0	0	0	115.4	K284	K284-G286 PolarHBondContact O-N 2.93Å
287	Q	49.6	Very low	60.1	Low	153 Å²	153	93.3 Å²	93.3	72%	0.715	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.8	175.7	-70.5	-171.4	-4.1	0	0	111.6	L283 K284 D285 I289	L283-Q287 CarbonylContact C-O 3.4Å; L283-Q287 VanDerWaalsContact CA-O 3.22Å; L283-Q287 WeakPolarHBondContact CA-O 3.46Å; K284-Q287 PolarHBondContact N-O 3.03Å; K284-Q287 PolarHBondContact O-N 2.91Å; D285-Q287 PolarHBondContact O-N 2.98Å; Q287-I289 PolarHBondContact O-N 2.77Å
288	R	65.6	Low	61.2	Low	153 Å²	153	91.7 Å²	91.7	58%	0.577	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	127.4	174	-178.6	168.8	-175.1	173.4	2.6	109.6	I281 W282 L283 D290	I281-R288 HydrophobicContact CG2-CB 4.15Å; I281-R288 HydrophobicContact CG2-CG 3.51Å; W282-R288 WeakPolarHBondContact O-CA 3.43Å; L283-R288 HydrophobicContact CD2-CB 4.02Å; R288-D290 PolarHBondContact O-N 2.98Å; R288-D290 VanDerWaalsContact O-N 3.08Å
289	I	68.2	Low	62.1	Low	11 Å²	11	89 Å²	89	6%	0.056	47%	0.471	C	S	.	.			trans	-63.9	111.5	171.6	-66.9	-176.4	0	0	0	107.2	W282 K284 Q287 Y297 V299 L305	W282-I289 HydrophobicContact CB-CB 4.18Å; W282-I289 HydrophobicContact CB-CD1 3.82Å; W282-I289 HydrophobicContact CB-CG1 4.2Å; W282-I289 PolarHBondContact O-N 2.8Å; K284-I289 HydrophobicContact CB-CD1 4.23Å; K284-I289 HydrophobicContact CB-CG1 4.03Å; Q287-I289 PolarHBondContact O-N 2.77Å; I289-Y297 HydrophobicContact CB-CD2 4.46Å; I289-Y297 HydrophobicContact CB-CE2 4.21Å; I289-Y297 HydrophobicContact CD1-CD2 4.03Å; I289-Y297 HydrophobicContact CD1-CE2 4.24Å; I289-Y297 HydrophobicContact CD1-CG 4.32Å; I289-Y297 HydrophobicContact CG1-CD2 4.33Å; I289-Y297 HydrophobicContact CG1-CE2 4.07Å; I289-Y297 HydrophobicContact CG2-CD2 3.43Å; I289-Y297 VanDerWaalsContact CG2-CD2 3.43Å; I289-Y297 HydrophobicContact CG2-CE2 3.39Å; I289-V299 HydrophobicContact CB-CG2 4.18Å; I289-V299 HydrophobicContact CG2-CG2 3.56Å; I289-L305 HydrophobicContact CD1-CD1 3.8Å; I289-L305 HydrophobicContact CD1-CD2 3.92Å
290	D	60	Low	62.9	Low	140 Å²	140	87.1 Å²	87.1	75%	0.749	46%	0.459	S	S	*	.			trans	-65.9	138.2	178.6	-139.7	-14.8	0	0	0	109.7	R288 D292	R288-D290 PolarHBondContact O-N 2.98Å; R288-D290 VanDerWaalsContact O-N 3.08Å; D290-D292 PolarHBondContact O-N 3.09Å
291	V	57.9	Low	63.4	Low	86 Å²	86	87.6 Å²	87.6	52%	0.521	46%	0.462	S	S	.	.	S	Bend	trans	-71.4	-6.1	-156	-161.1	0	0	0	0	113
292	D	55.6	Low	63.8	Low	143 Å²	143	87.9 Å²	87.9	77%	0.765	47%	0.465	S	S	*	.	S	Bend	trans	-125.3	112.7	-174.2	-79.1	-44.4	0	0	0	113.7	D290	D290-D292 PolarHBondContact O-N 3.09Å
293	N	52.2	Low	64	Low	111 Å²	111	93 Å²	93	59%	0.594	48%	0.484	S	S	*	.			trans	54.8	66	155.8	-81.4	-10.1	0	0	0	118.1
294	S	56.9	Low	64.6	Low	32 Å²	32	92.1 Å²	92.1	22%	0.224	47%	0.473	C	S	.	.			trans	-77.8	141.9	153.4	156.7	0	0	0	0	110	I296 Y297	S294-I296 PolarHBondContact O-N 2.92Å; S294-I296 WeakPolarHBondContact OG-CB 3.31Å; S294-I296 PolarHBondContact OG-N 2.85Å; S294-Y297 VanDerWaalsContact CB-CD2 3.5Å; S294-Y297 WeakPolarHBondContact CB-O 3.5Å; S294-Y297 VanDerWaalsContact O-O 3.11Å; S294-Y297 WeakPolarHBondContact OG-CE1 3.24Å; S294-Y297 WeakPolarHBondContact OG-CE2 3.23Å; S294-Y297 PolarHBondContact OG-N 2.82Å; S294-Y297 VanDerWaalsContact OG-N 3.15Å
295	S	56.7	Low	65.5	Low	109 Å²	109	88.3 Å²	88.3	76%	0.762	46%	0.457	S	S	*	.	S	Bend	trans	-63.9	-13.5	170.2	47.3	0	0	0	0	113.1
296	I	64.7	Low	66.5	Low	64 Å²	64	82.7 Å²	82.7	33%	0.328	43%	0.427	S	S	.	.	S	Bend	trans	-110.5	-26	-170.7	-48.8	173.9	0	0	0	111.1	S294 I307 F308 D309	S294-I296 PolarHBondContact O-N 2.92Å; S294-I296 WeakPolarHBondContact OG-CB 3.31Å; S294-I296 PolarHBondContact OG-N 2.85Å; I296-I307 CarbonylContact O-C 3.59Å; I296-I307 WeakPolarHBondContact O-CA 3.4Å; I296-F308 PolarHBondContact O-N 3.16Å; I296-D309 HydrophobicContact CG2-CB 4.32Å
297	Y	71.6	Confident	67.5	Low	52 Å²	52	82.1 Å²	82.1	20%	0.204	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	157.3	-179.3	45.8	-100.1	0	0	0	112.9	K284 I289 S294 L306	K284-Y297 HydrophobicContact CD-CD1 4.36Å; K284-Y297 HydrophobicContact CD-CE1 3.6Å; I289-Y297 HydrophobicContact CB-CD2 4.46Å; I289-Y297 HydrophobicContact CB-CE2 4.21Å; I289-Y297 HydrophobicContact CD1-CD2 4.03Å; I289-Y297 HydrophobicContact CD1-CE2 4.24Å; I289-Y297 HydrophobicContact CD1-CG 4.32Å; I289-Y297 HydrophobicContact CG1-CD2 4.33Å; I289-Y297 HydrophobicContact CG1-CE2 4.07Å; I289-Y297 HydrophobicContact CG2-CD2 3.43Å; I289-Y297 VanDerWaalsContact CG2-CD2 3.43Å; I289-Y297 HydrophobicContact CG2-CE2 3.39Å; S294-Y297 VanDerWaalsContact CB-CD2 3.5Å; S294-Y297 WeakPolarHBondContact CB-O 3.5Å; S294-Y297 VanDerWaalsContact O-O 3.11Å; S294-Y297 WeakPolarHBondContact OG-CE1 3.24Å; S294-Y297 WeakPolarHBondContact OG-CE2 3.23Å; S294-Y297 PolarHBondContact OG-N 2.82Å; S294-Y297 VanDerWaalsContact OG-N 3.15Å; Y297-L306 CarbonylContact C-O 3.58Å; Y297-L306 WeakPolarHBondContact CA-O 3.28Å; Y297-L306 VanDerWaalsContact CB-O 3.25Å; Y297-L306 WeakPolarHBondContact CB-O 3.49Å
298	R	70.5	Confident	68.2	Low	125 Å²	125	77.5 Å²	77.5	47%	0.472	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	120.6	175.5	-176.3	-178.6	-153	-178.7	5.4	109.5	V300 L306 F308	R298-V300 PolarHBondContact O-N 3.03Å; R298-L306 HydrophobicContact CB-CB 4.19Å; R298-L306 PolarHBondContact N-O 3.33Å; R298-L306 WeakPolarHBondContact O-CB 3.45Å; R298-L306 PolarHBondContact O-N 3.05Å; R298-F308 HydrophobicContact CB-CE2 3.63Å; R298-F308 HydrophobicContact CB-CZ 4.28Å
299	V	73.3	Confident	67.8	Low	31 Å²	31	75.9 Å²	75.9	19%	0.188	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	115.9	167.9	-179.8	0	0	0	0	106.7	W282 I289 D301 L305	W282-V299 HydrophobicContact CB-CG2 4.28Å; W282-V299 HydrophobicContact CG-CG2 4.27Å; I289-V299 HydrophobicContact CB-CG2 4.18Å; I289-V299 HydrophobicContact CG2-CG2 3.56Å; V299-D301 VanDerWaalsContact CG1-O 3.23Å; V299-D301 WeakPolarHBondContact CG1-O 3.41Å; V299-L305 HydrophobicContact CG2-CD1 3.77Å
300	V	75.5	Confident	66.9	Low	57 Å²	57	83.1 Å²	83.1	35%	0.345	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-40.8	-179.5	-176.6	0	0	0	0	109.8	L264 R298 R304 L306	L264-V300 HydrophobicContact CD1-CG2 4.2Å; R298-V300 PolarHBondContact O-N 3.03Å; V300-R304 HydrophobicContact CB-CB 3.69Å; V300-R304 HydrophobicContact CG1-CB 4.28Å; V300-R304 HydrophobicContact CG2-CB 4.25Å; V300-R304 PolarHBondContact N-O 3.18Å; V300-L306 HydrophobicContact CG2-CB 3.96Å; V300-L306 HydrophobicContact CG2-CD1 3.56Å; V300-L306 HydrophobicContact CG2-CG 3.81Å
301	D	77	Confident	66.2	Low	50 Å²	50	80 Å²	80	27%	0.267	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	-176.2	168.4	57.7	40.9	0	0	0	108.3	V299 R303 R304	V299-D301 VanDerWaalsContact CG1-O 3.23Å; V299-D301 WeakPolarHBondContact CG1-O 3.41Å; D301-R303 PolarHBondContact O-N 2.91Å; D301-R303 WeakPolarHBondContact OD1-CA 3.41Å; D301-R303 PolarHBondContact OD1-N 3.3Å; D301-R304 PolarHBondContact N-O 3.36Å; D301-R304 PolarHBondContact O-N 2.82Å; D301-R304 VanDerWaalsContact O-N 3.1Å; D301-R304 VanDerWaalsContact O-O 3.09Å; D301-R304 WeakPolarHBondContact OD1-CB 3.29Å; D301-R304 PolarHBondContact OD1-N 3.24Å; D301-R304 IonicContact OD1-NE 3.63Å; D301-R304 IonicContact OD2-CZ 3.08Å; D301-R304 IonicContact OD2-NE 2.72Å; D301-R304 PolarHBondContact OD2-NE 3.26Å; D301-R304 IonicContact OD2-NH2 2.64Å; D301-R304 PolarHBondContact OD2-NH2 3.17Å
302	D	74.4	Confident	65.3	Low	86 Å²	86	82.2 Å²	82.2	46%	0.46	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-38.7	177.6	-43.6	-5	0	0	0	111.4	I280 W282	I280-D302 WeakPolarHBondContact CB-O 3.32Å; I280-D302 WeakPolarHBondContact CG2-O 3.38Å; W282-D302 PolarHBondContact NE1-O 3.28Å
303	R	77.6	Confident	64.8	Low	140 Å²	140	81.1 Å²	81.1	53%	0.528	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.5	-174.1	-59.3	-171.3	-179.4	-174.7	-0.5	115.1	E266 C267 I280 D301	E266-R303 WeakPolarHBondContact CA-O 3.42Å; C267-R303 PolarHBondContact N-O 2.77Å; I280-R303 HydrophobicContact CD1-CG 4.12Å; D301-R303 PolarHBondContact O-N 2.91Å; D301-R303 WeakPolarHBondContact OD1-CA 3.41Å; D301-R303 PolarHBondContact OD1-N 3.3Å
304	R	80.6	Confident	64.2	Low	89 Å²	89	79.9 Å²	79.9	34%	0.336	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.4	-168.8	-71.3	-175.5	-64.5	170.4	1.2	113.1	L264 L265 E266 V300 D301	L264-R304 HydrophobicContact CD1-CB 4.01Å; L264-R304 HydrophobicContact CD1-CG 4.33Å; L265-R304 CarbonylContact O-C 3.51Å; L265-R304 VanDerWaalsContact O-CA 3.25Å; L265-R304 WeakPolarHBondContact O-CA 3.3Å; E266-R304 HydrophobicContact CB-CG 4.26Å; E266-R304 HydrophobicContact CG-CG 3.9Å; V300-R304 HydrophobicContact CB-CB 3.69Å; V300-R304 HydrophobicContact CG1-CB 4.28Å; V300-R304 HydrophobicContact CG2-CB 4.25Å; V300-R304 PolarHBondContact N-O 3.18Å; D301-R304 PolarHBondContact N-O 3.36Å; D301-R304 PolarHBondContact O-N 2.82Å; D301-R304 VanDerWaalsContact O-N 3.1Å; D301-R304 VanDerWaalsContact O-O 3.09Å; D301-R304 WeakPolarHBondContact OD1-CB 3.29Å; D301-R304 PolarHBondContact OD1-N 3.24Å; D301-R304 IonicContact OD1-NE 3.63Å; D301-R304 IonicContact OD2-CZ 3.08Å; D301-R304 IonicContact OD2-NE 2.72Å; D301-R304 PolarHBondContact OD2-NE 3.26Å; D301-R304 IonicContact OD2-NH2 2.64Å; D301-R304 PolarHBondContact OD2-NH2 3.17Å
305	L	80.3	Confident	63.5	Low	10 Å²	10	85.5 Å²	85.5	5%	0.052	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.3	175	-178.8	74.6	0	0	0	110.6	L264 L265 W282 I289 V299 I307	L264-L305 CarbonylContact C-O 3.51Å; L264-L305 WeakPolarHBondContact CA-O 3.3Å; L265-L305 HydrophobicContact CB-CB 4.36Å; L265-L305 PolarHBondContact N-O 2.84Å; L265-L305 PolarHBondContact O-N 3.25Å; W282-L305 HydrophobicContact CD2-CB 3.65Å; W282-L305 HydrophobicContact CD2-CD1 4.46Å; W282-L305 HydrophobicContact CD2-CD2 4.11Å; W282-L305 HydrophobicContact CD2-CG 4.29Å; W282-L305 HydrophobicContact CE3-CB 3.75Å; W282-L305 HydrophobicContact CE3-CD2 3.64Å; W282-L305 HydrophobicContact CE3-CG 4.24Å; W282-L305 HydrophobicContact CG-CB 4.3Å; W282-L305 HydrophobicContact CG-CD1 4.33Å; W282-L305 HydrophobicContact CH2-CB 3.81Å; W282-L305 HydrophobicContact CZ2-CB 3.72Å; W282-L305 HydrophobicContact CZ3-CB 3.83Å; W282-L305 HydrophobicContact CZ3-CD2 4.05Å; I289-L305 HydrophobicContact CD1-CD1 3.8Å; I289-L305 HydrophobicContact CD1-CD2 3.92Å; V299-L305 HydrophobicContact CG2-CD1 3.77Å; L305-I307 HydrophobicContact CD2-CD1 4.27Å; L305-I307 HydrophobicContact CD2-CG1 4.15Å; L305-I307 HydrophobicContact CG-CG1 4.29Å
306	L	76.3	Confident	62.7	Low	31 Å²	31	83.3 Å²	83.3	16%	0.162	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.8	170.4	-101.9	159.9	0	0	0	109.3	A262 L263 L264 Y297 R298 V300 F308	A262-L306 HydrophobicContact CB-CD2 3.18Å; L263-L306 CarbonylContact O-C 3.48Å; L263-L306 WeakPolarHBondContact O-CA 3.21Å; L264-L306 HydrophobicContact CD1-CG 4.35Å; Y297-L306 CarbonylContact C-O 3.58Å; Y297-L306 WeakPolarHBondContact CA-O 3.28Å; Y297-L306 VanDerWaalsContact CB-O 3.25Å; Y297-L306 WeakPolarHBondContact CB-O 3.49Å; R298-L306 HydrophobicContact CB-CB 4.19Å; R298-L306 PolarHBondContact N-O 3.33Å; R298-L306 WeakPolarHBondContact O-CB 3.45Å; R298-L306 PolarHBondContact O-N 3.05Å; V300-L306 HydrophobicContact CG2-CB 3.96Å; V300-L306 HydrophobicContact CG2-CD1 3.56Å; V300-L306 HydrophobicContact CG2-CG 3.81Å; L306-F308 HydrophobicContact CB-CE2 3.93Å; L306-F308 HydrophobicContact CB-CZ 3.84Å; L306-F308 HydrophobicContact CD1-CZ 4.23Å; L306-F308 HydrophobicContact CD2-CE1 4.14Å; L306-F308 HydrophobicContact CD2-CZ 4.07Å; L306-F308 HydrophobicContact CG-CZ 4.29Å
307	I	72.1	Confident	61.6	Low	51 Å²	51	89.7 Å²	89.7	26%	0.262	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.3	175.5	-56	-177.6	0	0	0	108.8	A262 L263 L265 I296 L305	A262-I307 CarbonylContact C-O 3.58Å; A262-I307 WeakPolarHBondContact CA-O 3.28Å; L263-I307 PolarHBondContact N-O 3.38Å; L263-I307 PolarHBondContact O-N 2.69Å; L265-I307 HydrophobicContact CD1-CD1 3.31Å; L265-I307 HydrophobicContact CD1-CG1 3.88Å; I296-I307 CarbonylContact O-C 3.59Å; I296-I307 WeakPolarHBondContact O-CA 3.4Å; L305-I307 HydrophobicContact CD2-CD1 4.27Å; L305-I307 HydrophobicContact CD2-CG1 4.15Å; L305-I307 HydrophobicContact CG-CG1 4.29Å
308	F	65	Low	60.2	Low	57 Å²	57	91.8 Å²	91.8	25%	0.25	49%	0.487	C	S	.	.			trans	-111	0	-166.5	-65.5	-75.7	0	0	0	116.5	A262 I296 R298 L306	A262-F308 HydrophobicContact CB-CD1 3.53Å; A262-F308 HydrophobicContact CB-CE1 3.53Å; A262-F308 HydrophobicContact CB-CG 4.45Å; A262-F308 HydrophobicContact CB-CZ 4.45Å; I296-F308 PolarHBondContact O-N 3.16Å; R298-F308 HydrophobicContact CB-CE2 3.63Å; R298-F308 HydrophobicContact CB-CZ 4.28Å; L306-F308 HydrophobicContact CB-CE2 3.93Å; L306-F308 HydrophobicContact CB-CZ 3.84Å; L306-F308 HydrophobicContact CD1-CZ 4.23Å; L306-F308 HydrophobicContact CD2-CE1 4.14Å; L306-F308 HydrophobicContact CD2-CZ 4.07Å; L306-F308 HydrophobicContact CG-CZ 4.29Å
309	D	56.8	Low	58.7	Low	119 Å²	119	89.9 Å²	89.9	64%	0.636	49%	0.491	S	S	*	.			trans	-137.9	139.5	-176.8	-160.9	5.8	0	0	0	114.1	I296	I296-D309 HydrophobicContact CG2-CB 4.32Å
310	Q	49.8	Very low	57.4	Low	162 Å²	162	98.7 Å²	98.7	76%	0.757	53%	0.526	S	S	*	.			trans	-100.7	94.8	-172.8	-65.5	-153.2	-10.5	0	0	111.3
311	G	45	Very low	56	Low	75 Å²	75	100.9 Å²	100.9	77%	0.773	54%	0.544	S	S	*	.			trans	-154.8	-4.5	173.9	0	0	0	0	0	116.6
312	V	40.2	Very low	54.4	Low	132 Å²	132	100.1 Å²	100.1	80%	0.8	54%	0.543	S	S	*	.			trans	-132.2	123.9	-175.5	-171.9	0	0	0	0	109.4	P314	V312-P314 VanDerWaalsContact O-CD 3.27Å; V312-P314 WeakPolarHBondContact O-CD 3.33Å
313	D	43.9	Very low	53.6	Low	120 Å²	120	104.4 Å²	104.4	64%	0.642	55%	0.553	S	S	*	*			trans	-63.1	114.4	165.6	-178.4	-7.6	0	0	0	108.9	F315	D313-F315 VanDerWaalsContact C-N 3.33Å; D313-F315 PolarHBondContact O-N 3.19Å; D313-F315 WeakPolarHBondContact OD1-CB 3.36Å; D313-F315 WeakPolarHBondContact OD1-CD2 3.34Å; D313-F315 WeakPolarHBondContact OD1-CG 3.41Å; D313-F315 PolarHBondContact OD1-N 2.8Å
314	P	40.5	Very low	52.8	Low	86 Å²	86	102.7 Å²	102.7	56%	0.558	55%	0.547	S	S	*	.			trans	-88.2	12.7	-176.6	31.5	-24.6	0	0	0	114	V312 G316	V312-P314 VanDerWaalsContact O-CD 3.27Å; V312-P314 WeakPolarHBondContact O-CD 3.33Å; P314-G316 PolarHBondContact O-N 2.78Å; P314-G316 VanDerWaalsContact O-N 3.1Å
315	F	41	Very low	51.9	Low	149 Å²	149	99.6 Å²	99.6	65%	0.654	54%	0.543	S	S	*	.			trans	-84.1	86.7	-173.8	-60.1	-56.7	0	0	0	114	D313	D313-F315 VanDerWaalsContact C-N 3.33Å; D313-F315 PolarHBondContact O-N 3.19Å; D313-F315 WeakPolarHBondContact OD1-CB 3.36Å; D313-F315 WeakPolarHBondContact OD1-CD2 3.34Å; D313-F315 WeakPolarHBondContact OD1-CG 3.41Å; D313-F315 PolarHBondContact OD1-N 2.8Å
316	G	41	Very low	51.4	Low	64 Å²	64	101.3 Å²	101.3	66%	0.66	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-101.2	137.3	156.6	0	0	0	0	0	111.5	P314 I318	P314-G316 PolarHBondContact O-N 2.78Å; P314-G316 VanDerWaalsContact O-N 3.1Å; G316-I318 PolarHBondContact O-N 3.18Å
317	E	41.6	Very low	51	Low	197 Å²	197	102.5 Å²	102.5	92%	0.921	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.4	176.7	-75.1	-171.4	147.8	0	0	111.6	P319	E317-P319 WeakPolarHBondContact O-CD 3.37Å
318	I	41.8	Very low	50.9	Low	97 Å²	97	102.7 Å²	102.7	50%	0.497	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-68.8	123.5	170.1	-57.9	175.6	0	0	0	108.1	G316 K320 S322	G316-I318 PolarHBondContact O-N 3.18Å; I318-K320 PolarHBondContact O-N 2.86Å; I318-S322 WeakPolarHBondContact CG2-OG 3.48Å
319	P	39.6	Very low	51.1	Low	85 Å²	85	103.2 Å²	103.2	55%	0.552	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-55.2	140.5	177	-24.2	32.7	0	0	0	111.7	E317 S321 S322	E317-P319 WeakPolarHBondContact O-CD 3.37Å; P319-S321 PolarHBondContact O-N 2.99Å; P319-S322 PolarHBondContact O-N 2.99Å; P319-S322 PolarHBondContact O-OG 2.81Å; P319-S322 VanDerWaalsContact O-OG 3.14Å
320	K	46	Very low	51.5	Low	215 Å²	215	99.2 Å²	99.2	94%	0.935	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	0.2	179.5	-75.1	-179.6	176.7	174.1	0	115.4	I318	I318-K320 PolarHBondContact O-N 2.86Å
321	S	45.5	Very low	51.9	Low	104 Å²	104	96.5 Å²	96.5	73%	0.727	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	2.9	-175.3	53.5	0	0	0	0	114.9	P319	P319-S321 PolarHBondContact O-N 2.99Å
322	S	44.2	Very low	52.7	Low	34 Å²	34	101.6 Å²	101.6	24%	0.238	54%	0.536	C	S	.	.			trans	-75.5	129.2	-177.2	-53.5	0	0	0	0	112.5	I318 P319 Y324	I318-S322 WeakPolarHBondContact CG2-OG 3.48Å; P319-S322 PolarHBondContact O-N 2.99Å; P319-S322 PolarHBondContact O-OG 2.81Å; P319-S322 VanDerWaalsContact O-OG 3.14Å; S322-Y324 PolarHBondContact O-N 2.85Å
323	R	56.9	Low	53.5	Low	176 Å²	176	97.8 Å²	97.8	66%	0.664	52%	0.524	S	S	*	.	S	Bend	trans	-82.9	16.2	177	-74.2	-170.7	-82.3	-170.3	-3.6	114.2	W269 D270	W269-R323 HydrophobicContact CE3-CB 4.41Å; W269-R323 HydrophobicContact CZ3-CB 4.24Å; D270-R323 PolarHBondContact N-O 2.99Å
324	Y	59.9	Low	54	Low	104 Å²	104	98.6 Å²	98.6	41%	0.408	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.7	-176.8	62.3	-88.7	0	0	0	110.3	Q268 S322	Q268-Y324 CarbonylContact O-C 3.53Å; Q268-Y324 WeakPolarHBondContact O-CA 3.28Å; S322-Y324 PolarHBondContact O-N 2.85Å
325	G	62.3	Low	54.5	Low	24 Å²	24	98.4 Å²	98.4	25%	0.247	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136	172.4	0	0	0	0	0	110.9	C267 Q268	C267-G325 WeakPolarHBondContact CA-O 3.45Å; Q268-G325 PolarHBondContact N-O 2.94Å; Q268-G325 PolarHBondContact O-N 3.27Å
326	C	69.7	Low	54.9	Low	46 Å²	46	98.5 Å²	98.5	31%	0.311	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.4	175.5	-58.7	0	0	0	0	110.7	E266 C267	E266-C326 CarbonylContact O-C 3.58Å; E266-C326 WeakPolarHBondContact O-CA 3.19Å; C267-C326 HydrophobicContact CB-CB 4.14Å; C267-C326 WeakPolarHBondContact CB-SG 3.45Å; C267-C326 WeakPolarHBondContact SG-CB 3.45Å; C267-C326 CovalentContact SG-SG 2.04Å; C267-C326 PolarHBondContact SG-SG 3.27Å
327	T	68.3	Low	55.1	Low	55 Å²	55	100 Å²	100	34%	0.337	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.7	175.8	33.6	0	0	0	0	110.4	E266	E266-T327 PolarHBondContact N-O 3.12Å; E266-T327 PolarHBondContact O-N 2.98Å; E266-T327 PolarHBondContact O-OG1 3.47Å
328	I	69.3	Low	55	Low	56 Å²	56	101.6 Å²	101.6	29%	0.287	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.7	172.9	-51.4	-178.1	0	0	0	108	L263 L264 L265	L263-I328 HydrophobicContact CD2-CG2 4.12Å; L264-I328 CarbonylContact O-C 3.41Å; L264-I328 WeakPolarHBondContact O-CA 3.46Å; L265-I328 HydrophobicContact CG-CG1 4.22Å
329	K	70.2	Confident	54.6	Low	68 Å²	68	104 Å²	104	30%	0.296	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142	176.2	-64.8	175.6	177.8	173.6	0	109	L264 E266	L264-K329 HydrophobicContact CB-CB 4.37Å; L264-K329 PolarHBondContact N-O 2.92Å; L264-K329 PolarHBondContact O-N 3.46Å; E266-K329 VanDerWaalsContact OE2-CE 3.3Å; E266-K329 WeakPolarHBondContact OE2-CE 3.13Å; E266-K329 IonicContact OE2-NZ 2.63Å; E266-K329 PolarHBondContact OE2-NZ 2.91Å
330	D	64.4	Low	54.3	Low	35 Å²	35	108.2 Å²	108.2	19%	0.187	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.2	169.7	160.4	65.2	22.5	0	0	0	110.6	K332 G333 E334	D330-K332 PolarHBondContact O-N 2.77Å; D330-K332 WeakPolarHBondContact OD1-CA 3.45Å; D330-K332 WeakPolarHBondContact OD1-CB 3.45Å; D330-K332 PolarHBondContact OD1-N 2.8Å; D330-G333 PolarHBondContact O-N 2.95Å; D330-G333 PolarHBondContact OD1-N 2.79Å; D330-G333 VanDerWaalsContact OD1-N 3.09Å; D330-E334 PolarHBondContact N-O 2.99Å; D330-E334 PolarHBondContact OD1-N 3.4Å
331	L	59.3	Low	53.5	Low	104 Å²	104	109.2 Å²	109.2	55%	0.545	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	-9.2	177.1	-81.5	164.9	0	0	0	114.2	E259 A262	E259-L331 WeakPolarHBondContact O-CD1 3.36Å; A262-L331 HydrophobicContact CB-CD1 3.82Å; A262-L331 HydrophobicContact CB-CG 4.32Å
332	K	60.3	Low	52.9	Low	183 Å²	183	110.1 Å²	110.1	80%	0.796	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-4.3	172	-66.4	-174.5	178.1	-178.8	0	112.8	D330 E334	D330-K332 PolarHBondContact O-N 2.77Å; D330-K332 WeakPolarHBondContact OD1-CA 3.45Å; D330-K332 WeakPolarHBondContact OD1-CB 3.45Å; D330-K332 PolarHBondContact OD1-N 2.8Å; K332-E334 VanDerWaalsContact C-N 3.28Å
333	G	57.5	Low	52.2	Low	52 Å²	52	116.1 Å²	116.1	54%	0.536	58%	0.584	S	S	.	*			trans	78.5	8.7	-177.5	0	0	0	0	0	113.9	D330	D330-G333 PolarHBondContact O-N 2.95Å; D330-G333 PolarHBondContact OD1-N 2.79Å; D330-G333 VanDerWaalsContact OD1-N 3.09Å
334	E	55.6	Low	51.1	Low	136 Å²	136	111.3 Å²	111.3	64%	0.636	59%	0.59	S	S	*	*			trans	-82.2	121.8	176.4	-73	-170.6	153.5	0	0	110	D330 K332 K336	D330-E334 PolarHBondContact N-O 2.99Å; D330-E334 PolarHBondContact OD1-N 3.4Å; K332-E334 VanDerWaalsContact C-N 3.28Å; E334-K336 PolarHBondContact O-N 2.84Å
335	A	50.3	Low	49.7	Very low	83 Å²	83	116.5 Å²	116.5	69%	0.686	61%	0.614	S	S	*	*	B	Isolated β-bridge	trans	-72.9	112	178	0	0	0	0	0	110.2	S337	A335-S337 PolarHBondContact O-N 2.81Å
336	K	50.4	Low	48.1	Very low	151 Å²	151	127.5 Å²	127.5	66%	0.657	65%	0.648	S	S	*	*			trans	-83.1	116	170.7	-74.9	-161.2	176.7	-176.2	0	110.3	E334	E334-K336 PolarHBondContact O-N 2.84Å
337	S	44.5	Very low	46.4	Very low	95 Å²	95	128.7 Å²	128.7	66%	0.664	67%	0.669	S	S	*	*			trans	65.7	119.3	169.2	38.2	0	0	0	0	118.4	A335	A335-S337 PolarHBondContact O-N 2.81Å
338	R	39	Very low	44.6	Very low	231 Å²	231	134.5 Å²	134.5	87%	0.872	69%	0.692	S	S	*	*			trans	-92.1	110.7	-177.3	-171.5	-178	-178.1	-172.8	1.9	109.3	K340	R338-K340 PolarHBondContact O-N 2.8Å
339	V	34	Very low	42.8	Very low	146 Å²	146	141 Å²	141	89%	0.885	72%	0.72	S	S	*	*			trans	-73.8	116	169	-179	0	0	0	0	108.6
340	K	33.7	Very low	41.1	Very low	175 Å²	175	141.3 Å²	141.3	76%	0.761	74%	0.744	S	S	*	*			trans	-76.9	129.9	-179.3	-97.4	178.1	173.3	175.6	0	111.3	R338 T342	R338-K340 PolarHBondContact O-N 2.8Å; K340-T342 PolarHBondContact O-N 2.8Å
341	R	27.6	Very low	40	Very low	235 Å²	235	144.7 Å²	144.7	89%	0.887	77%	0.77	S	S	*	*			trans	-60.6	123.6	160.5	-95.7	179.8	162.2	179	-3.7	110.1
342	T	33.5	Very low	39.6	Very low	124 Å²	124	144.7 Å²	144.7	76%	0.761	77%	0.77	S	S	*	*			trans	-110	107.3	162.9	44.9	0	0	0	0	110	K340	K340-T342 PolarHBondContact O-N 2.8Å
343	N	29.3	Very low	39.2	Very low	159 Å²	159	144.8 Å²	144.8	85%	0.85	77%	0.771	S	S	*	*			trans	-78.4	126.6	168.6	-78.4	-18.5	0	0	0	109.2
344	G	33.2	Very low	39.3	Very low	75 Å²	75	144 Å²	144	77%	0.773	76%	0.759	S	S	*	*			trans	-156.1	124	175.1	0	0	0	0	0	111.5
345	K	31.5	Very low	40.3	Very low	214 Å²	214	139.6 Å²	139.6	93%	0.93	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-59.1	149	-167.9	-74.2	166	167.7	175.2	0	115.3
346	W	29	Very low	42	Very low	254 Å²	254	136.1 Å²	136.1	96%	0.962	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-76.8	128.4	165.8	-70	85.8	0	0	0	111.2
347	G	33.5	Very low	43.6	Very low	72 Å²	72	133.2 Å²	133.2	74%	0.742	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-101.3	138.9	164.1	0	0	0	0	0	110.5
348	H	29.9	Very low	45.7	Very low	177 Å²	177	130.6 Å²	130.6	82%	0.819	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-71.1	170.6	-179.1	-97.3	-96.7	0	0	0	113.8
349	H	32.8	Very low	48.1	Very low	191 Å²	191	125 Å²	125	88%	0.884	67%	0.665	S	S	*	*			trans	98.5	118.2	172.1	-56.1	-74	0	0	0	113.6
350	G	35	Very low	50.8	Low	76 Å²	76	121.6 Å²	121.6	78%	0.784	64%	0.64	S	S	*	*			cis	139.6	71.2	9.5	0	0	0	0	0	110.1
351	S	41	Very low	53.4	Low	105 Å²	105	116.3 Å²	116.3	73%	0.734	62%	0.623	S	S	*	*	S	Bend	trans	174	-29.4	161.3	55.5	0	0	0	0	111.8	K353	S351-K353 VanDerWaalsContact C-N 3.34Å; S351-K353 PolarHBondContact O-N 2.83Å
352	D	49.6	Very low	56.5	Low	105 Å²	105	105.5 Å²	105.5	56%	0.561	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-6.1	-166.6	-125	44	0	0	0	116.9	K357	D352-K357 IonicContact OD2-NZ 2.67Å; D352-K357 PolarHBondContact OD2-NZ 2.92Å
353	K	52.3	Low	59	Low	184 Å²	184	104.6 Å²	104.6	80%	0.8	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-9.7	-178.8	-83.7	-172.1	176.4	-178.7	0	114.1	S351 Y382	S351-K353 VanDerWaalsContact C-N 3.34Å; S351-K353 PolarHBondContact O-N 2.83Å; K353-Y382 WeakPolarHBondContact O-CB 3.49Å; K353-Y382 PolarHBondContact O-N 2.87Å
354	A	59.9	Low	61.7	Low	35 Å²	35	102.7 Å²	102.7	29%	0.289	57%	0.568	S	S	.	*	S	Bend	trans	-80.3	-33.1	-175	0	0	0	0	0	113.7	Y382 N430 I432	A354-Y382 WeakPolarHBondContact CA-O 3.12Å; A354-N430 PolarHBondContact O-ND2 3.42Å; A354-I432 HydrophobicContact CB-CD1 3.83Å
355	S	75.6	Confident	64.1	Low	44 Å²	44	100.8 Å²	100.8	31%	0.308	54%	0.541	S	S	.	.	S	Bend	trans	-80.5	145	-174.4	55.6	0	0	0	0	113.4	G381 S433	S355-G381 WeakPolarHBondContact O-CA 3.22Å; S355-S433 WeakPolarHBondContact CA-OG 3.42Å
356	V	87.1	Confident	66.5	Low	11 Å²	11	94.7 Å²	94.7	7%	0.067	52%	0.519	C	S	.	.			trans	-73.4	126.6	174.9	-176.1	0	0	0	0	109.2	S380 P385 A428 N430 S433 A435	V356-S380 CarbonylContact C-O 3.5Å; V356-S380 VanDerWaalsContact CA-O 3.28Å; V356-S380 WeakPolarHBondContact CA-O 3.31Å; V356-P385 HydrophobicContact CB-CG 4.37Å; V356-P385 HydrophobicContact CG1-CB 3.88Å; V356-P385 HydrophobicContact CG1-CG 3.89Å; V356-P385 HydrophobicContact CG2-CB 3.95Å; V356-P385 HydrophobicContact CG2-CG 3.87Å; V356-A428 HydrophobicContact CG1-CB 3.63Å; V356-N430 HydrophobicContact CG2-CB 3.9Å; V356-N430 WeakPolarHBondContact CG2-OD1 3.11Å; V356-S433 WeakPolarHBondContact CG2-O 3.49Å; V356-S433 PolarHBondContact N-OG 3.43Å; V356-A435 HydrophobicContact CB-CB 4.46Å; V356-A435 HydrophobicContact CG1-CB 4.05Å
357	K	84.4	Confident	69.1	Low	90 Å²	90	82.7 Å²	82.7	39%	0.391	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.1	176	-60.9	-179.7	-177.3	179.3	0	109.3	D352 I359 V379 S380	D352-K357 IonicContact OD2-NZ 2.67Å; D352-K357 PolarHBondContact OD2-NZ 2.92Å; K357-I359 PolarHBondContact O-N 2.83Å; K357-V379 CarbonylContact O-C 3.49Å; K357-V379 WeakPolarHBondContact O-CA 3.15Å; K357-S380 PolarHBondContact N-O 2.89Å; K357-S380 PolarHBondContact O-N 2.94Å; K357-S380 PolarHBondContact O-OG 2.85Å
358	I	88.9	Confident	71.6	Confident	40 Å²	40	81 Å²	81	21%	0.205	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	112.4	168.9	-63.7	174.5	0	0	0	107.2	P361 R378 V379 A435	I358-P361 HydrophobicContact CG2-CB 4.03Å; I358-R378 CarbonylContact C-O 3.57Å; I358-R378 WeakPolarHBondContact CA-O 3.28Å; I358-V379 HydrophobicContact CG1-CG1 4.26Å; I358-A435 HydrophobicContact CD1-CB 4.14Å; I358-A435 HydrophobicContact CG1-CB 3.98Å
359	I	87.9	Confident	74	Confident	113 Å²	113	77.2 Å²	77.2	58%	0.579	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	-39.4	179.8	-58.9	169.6	0	0	0	110.4	K357 R378	K357-I359 PolarHBondContact O-N 2.83Å; I359-R378 HydrophobicContact CB-CB 4.32Å; I359-R378 PolarHBondContact N-O 2.92Å
360	E	90.3	Very high	76.5	Confident	74 Å²	74	70.1 Å²	70.1	35%	0.346	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	100.1	-177.1	-170.1	175.3	171.1	0	0	107.5	T376 C377 R378	E360-T376 HydrophobicContact CG-CG2 4.44Å; E360-C377 CarbonylContact O-C 3.49Å; E360-C377 WeakPolarHBondContact O-CA 3.49Å; E360-R378 HydrophobicContact CB-CB 3.8Å; E360-R378 HydrophobicContact CB-CG 4.07Å; E360-R378 PolarHBondContact N-O 3.21Å; E360-R378 PolarHBondContact O-N 3.27Å; E360-R378 WeakPolarHBondContact OE2-CD 3.42Å; E360-R378 IonicContact OE2-CZ 3.55Å; E360-R378 VanDerWaalsContact OE2-CZ 3.22Å; E360-R378 IonicContact OE2-NE 3.71Å; E360-R378 PolarHBondContact OE2-NE 2.92Å; E360-R378 IonicContact OE2-NH1 2.66Å; E360-R378 PolarHBondContact OE2-NH1 2.82Å
361	P	89.8	Confident	78.9	Confident	64 Å²	64	71 Å²	71	42%	0.416	39%	0.394	S	S	.	.			trans	-72.9	156	178.4	30	-33.8	0	0	0	111.2	I358 T376 S437	I358-P361 HydrophobicContact CG2-CB 4.03Å; P361-T376 CarbonylContact C-O 3.54Å; P361-S437 WeakPolarHBondContact CB-OG 3.5Å
362	P	91.6	Very high	81.2	Confident	9 Å²	9	69.5 Å²	69.5	6%	0.058	38%	0.384	C	S	.	.			trans	-62.5	148.5	170.1	27.9	-34.6	0	0	0	111	F375 T376 W389 A439	P362-F375 HydrophobicContact CB-CB 4.23Å; P362-F375 HydrophobicContact CB-CD1 3.87Å; P362-F375 HydrophobicContact CB-CG 4.46Å; P362-T376 WeakPolarHBondContact CA-O 3.45Å; P362-W389 HydrophobicContact CB-CH2 3.87Å; P362-W389 HydrophobicContact CB-CZ3 4.01Å; P362-W389 HydrophobicContact CG-CH2 4.09Å; P362-W389 HydrophobicContact CG-CZ3 4.04Å; P362-A439 HydrophobicContact CB-CB 3.65Å; P362-A439 HydrophobicContact CG-CB 4.01Å
363	V	87.2	Confident	83.2	Confident	105 Å²	105	64.7 Å²	64.7	64%	0.636	36%	0.358	S	S	*	.			trans	-111.9	149.7	178.8	-64.7	0	0	0	0	110.2	F375 A439	V363-F375 VanDerWaalsContact O-CE1 3.22Å; V363-F375 WeakPolarHBondContact O-CE1 3.43Å; V363-A439 WeakPolarHBondContact O-CB 3.31Å
364	N	85.5	Confident	85.1	Confident	118 Å²	118	59.5 Å²	59.5	63%	0.631	34%	0.342	S	S	*	.			trans	-59.9	144.2	176.6	-63	-16.9	0	0	0	110.9	A439 F440	N364-A439 WeakPolarHBondContact OD1-CA 3.43Å; N364-F440 CarbonylContact C-O 3.55Å; N364-F440 VanDerWaalsContact CA-O 3.28Å; N364-F440 WeakPolarHBondContact CA-O 3.3Å; N364-F440 PolarHBondContact OD1-N 3.06Å
365	V	84.5	Confident	86.7	Confident	36 Å²	36	57.9 Å²	57.9	22%	0.218	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.9	-178.7	-177.6	0	0	0	0	110.2	A367 V373 F375 F440 L441 Q442	V365-A367 HydrophobicContact CG1-CB 4.5Å; V365-V373 HydrophobicContact CB-CG1 4.1Å; V365-V373 HydrophobicContact CG1-CG1 3.95Å; V365-V373 HydrophobicContact CG1-CG2 3.98Å; V365-V373 HydrophobicContact CG2-CG1 4.14Å; V365-F375 HydrophobicContact CG2-CD1 4.49Å; V365-F375 HydrophobicContact CG2-CE1 3.93Å; V365-F375 HydrophobicContact CG2-CZ 4.36Å; V365-F440 PolarHBondContact N-O 2.83Å; V365-L441 HydrophobicContact CB-CD1 4.21Å; V365-L441 HydrophobicContact CG1-CD1 4.29Å; V365-L441 WeakPolarHBondContact O-CA 3.39Å; V365-L441 WeakPolarHBondContact O-CD1 3.14Å; V365-Q442 PolarHBondContact O-N 3.25Å
366	D	81.8	Confident	87.5	Confident	86 Å²	86	57.5 Å²	57.5	46%	0.46	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.7	165.5	-79.9	3.2	0	0	0	108.7	Q442 R522	D366-Q442 WeakPolarHBondContact CA-O 3.4Å; D366-R522 IonicContact OD2-NH2 3.44Å
367	A	82.7	Confident	87.8	Confident	2 Å²	2	57 Å²	57	2%	0.017	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.4	-179.4	0	0	0	0	0	111	V365 E371 V373 T416 L441 Q442 V443 R444	V365-A367 HydrophobicContact CG1-CB 4.5Å; A367-E371 WeakPolarHBondContact CA-OE2 3.06Å; A367-E371 HydrophobicContact CB-CB 4.37Å; A367-V373 HydrophobicContact CB-CG2 3.41Å; A367-V373 VanDerWaalsContact CB-CG2 3.41Å; A367-T416 HydrophobicContact CB-CG2 4.25Å; A367-L441 HydrophobicContact CB-CD1 3.91Å; A367-Q442 PolarHBondContact N-O 3.36Å; A367-V443 CarbonylContact O-C 3.24Å; A367-V443 VanDerWaalsContact O-CA 3.23Å; A367-V443 WeakPolarHBondContact O-CA 3.49Å; A367-R444 PolarHBondContact O-N 3.3Å
368	D	85.7	Confident	88.1	Confident	35 Å²	35	58.7 Å²	58.7	19%	0.187	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	150	169.9	-66.7	-35.9	0	0	0	109.9	G370 E371 T416 R444 L523	D368-G370 PolarHBondContact O-N 2.91Å; D368-E371 HydrophobicContact CB-CG 4.23Å; D368-E371 PolarHBondContact N-OE2 3.12Å; D368-E371 WeakPolarHBondContact O-CB 3.31Å; D368-E371 PolarHBondContact O-N 2.74Å; D368-T416 PolarHBondContact O-OG1 2.9Å; D368-R444 VanDerWaalsContact CG-CZ 3.44Å; D368-R444 VanDerWaalsContact CG-NH1 3.32Å; D368-R444 VanDerWaalsContact OD1-CB 3.24Å; D368-R444 WeakPolarHBondContact OD1-CB 3.22Å; D368-R444 WeakPolarHBondContact OD1-CD 3.41Å; D368-R444 IonicContact OD1-CZ 3.8Å; D368-R444 IonicContact OD1-NE 2.86Å; D368-R444 PolarHBondContact OD1-NE 3.3Å; D368-R444 VanDerWaalsContact OD1-NE 3.13Å; D368-R444 IonicContact OD1-NH1 2.74Å; D368-R444 PolarHBondContact OD1-NH1 3.24Å; D368-R444 IonicContact OD1-NH2 3.81Å; D368-R444 PolarHBondContact OD1-NH2 3.35Å; D368-R444 IonicContact OD2-CZ 2.72Å; D368-R444 IonicContact OD2-NH1 2.75Å; D368-R444 PolarHBondContact OD2-NH1 2.97Å; D368-R444 VanDerWaalsContact OD2-NH1 3.09Å; D368-R444 IonicContact OD2-NH2 3.28Å; D368-R444 PolarHBondContact OD2-NH2 3.17Å; D368-L523 HydrophobicContact CB-CD2 4.33Å; D368-L523 WeakPolarHBondContact OD1-CD2 3.18Å
369	I	81.4	Confident	88.2	Confident	99 Å²	99	57.5 Å²	57.5	51%	0.508	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	126.4	178.3	-160	173.6	0	0	0	110.2	T416 L418 V443 R444	I369-T416 WeakPolarHBondContact CG1-O 3.23Å; I369-L418 HydrophobicContact CD1-CG 4.33Å; I369-V443 HydrophobicContact CB-CG1 4.23Å; I369-V443 HydrophobicContact CG1-CG1 4.47Å; I369-R444 PolarHBondContact N-O 2.81Å
370	G	83.9	Confident	88.2	Confident	41 Å²	41	54.1 Å²	54.1	42%	0.423	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	-7.8	-177.7	0	0	0	0	0	115.9	D368 T416	D368-G370 PolarHBondContact O-N 2.91Å; G370-T416 PolarHBondContact N-O 2.8Å; G370-T416 PolarHBondContact N-OG1 2.86Å
371	E	86.6	Confident	87.8	Confident	94 Å²	94	51.6 Å²	51.6	44%	0.439	30%	0.3	S	S	.	.			trans	-73.4	165.4	172.1	-67.6	-169.6	135	0	0	111.8	A367 D368 V415 T416	A367-E371 WeakPolarHBondContact CA-OE2 3.06Å; A367-E371 HydrophobicContact CB-CB 4.37Å; D368-E371 HydrophobicContact CB-CG 4.23Å; D368-E371 PolarHBondContact N-OE2 3.12Å; D368-E371 WeakPolarHBondContact O-CB 3.31Å; D368-E371 PolarHBondContact O-N 2.74Å; E371-V415 CarbonylContact O-C 3.58Å; E371-V415 VanDerWaalsContact O-CA 3.31Å; E371-V415 WeakPolarHBondContact O-CA 3.48Å; E371-V415 PolarHBondContact O-N 2.83Å; E371-T416 PolarHBondContact N-OG1 2.86Å; E371-T416 WeakPolarHBondContact O-CG2 3.4Å; E371-T416 PolarHBondContact O-N 2.82Å; E371-T416 PolarHBondContact O-OG1 2.89Å; E371-T416 VanDerWaalsContact O-OG1 3.09Å
372	S	88.9	Confident	87.2	Confident	74 Å²	74	56.9 Å²	56.9	52%	0.517	31%	0.313	S	S	.	.			trans	-108.3	133.8	173.2	-62.6	0	0	0	0	110	I413 V415	S372-I413 CarbonylContact C-O 3.53Å; S372-I413 VanDerWaalsContact CA-O 3.26Å; S372-I413 WeakPolarHBondContact CA-O 3.3Å; S372-V415 PolarHBondContact OG-N 3.16Å
373	V	91.2	Very high	86.9	Confident	5 Å²	5	58.9 Å²	58.9	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.5	-175.8	172.9	0	0	0	0	110.3	V365 A367 F375 L412 I413 T416 L441	V365-V373 HydrophobicContact CB-CG1 4.1Å; V365-V373 HydrophobicContact CG1-CG1 3.95Å; V365-V373 HydrophobicContact CG1-CG2 3.98Å; V365-V373 HydrophobicContact CG2-CG1 4.14Å; A367-V373 HydrophobicContact CB-CG2 3.41Å; A367-V373 VanDerWaalsContact CB-CG2 3.41Å; V373-F375 HydrophobicContact CG1-CD2 4.15Å; V373-F375 HydrophobicContact CG1-CE2 3.82Å; V373-F375 HydrophobicContact CG1-CZ 4.16Å; V373-L412 WeakPolarHBondContact O-CA 3.2Å; V373-I413 HydrophobicContact CB-CB 4.39Å; V373-I413 HydrophobicContact CB-CD1 4.34Å; V373-I413 HydrophobicContact CG1-CD1 4.37Å; V373-I413 PolarHBondContact N-O 3.31Å; V373-I413 PolarHBondContact O-N 2.87Å; V373-T416 HydrophobicContact CB-CG2 4.27Å; V373-T416 HydrophobicContact CG2-CG2 3.63Å; V373-L441 HydrophobicContact CB-CD1 4.48Å; V373-L441 HydrophobicContact CB-CD2 4.42Å; V373-L441 HydrophobicContact CG1-CD1 4.21Å; V373-L441 HydrophobicContact CG1-CD2 4.36Å; V373-L441 HydrophobicContact CG2-CD1 3.8Å; V373-L441 HydrophobicContact CG2-CD2 4.33Å
374	T	92.8	Very high	86.8	Confident	74 Å²	74	62.9 Å²	62.9	45%	0.454	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.2	176.4	-55.8	0	0	0	0	110.1	I410 L411 L412	T374-I410 HydrophobicContact CG2-CG2 3.45Å; T374-I410 VanDerWaalsContact CG2-CG2 3.45Å; T374-L411 CarbonylContact C-O 3.55Å; T374-L411 WeakPolarHBondContact CA-O 3.33Å; T374-L412 VanDerWaalsContact OG1-CD1 3.29Å; T374-L412 WeakPolarHBondContact OG1-CD1 3.37Å
375	F	93.3	Very high	87	Confident	1 Å²	1	57.8 Å²	57.8	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.1	168.5	-69.4	-73.3	0	0	0	110.3	P362 V363 V365 V373 W389 I410 L411 I413 Y424 A439 L441	P362-F375 HydrophobicContact CB-CB 4.23Å; P362-F375 HydrophobicContact CB-CD1 3.87Å; P362-F375 HydrophobicContact CB-CG 4.46Å; V363-F375 VanDerWaalsContact O-CE1 3.22Å; V363-F375 WeakPolarHBondContact O-CE1 3.43Å; V365-F375 HydrophobicContact CG2-CD1 4.49Å; V365-F375 HydrophobicContact CG2-CE1 3.93Å; V365-F375 HydrophobicContact CG2-CZ 4.36Å; V373-F375 HydrophobicContact CG1-CD2 4.15Å; V373-F375 HydrophobicContact CG1-CE2 3.82Å; V373-F375 HydrophobicContact CG1-CZ 4.16Å; F375-W389 HydrophobicContact CB-CH2 3.48Å; F375-W389 VanDerWaalsContact CB-CH2 3.48Å; F375-W389 HydrophobicContact CB-CZ2 4.27Å; F375-W389 HydrophobicContact CB-CZ3 3.67Å; F375-W389 HydrophobicContact CG-CZ3 4.31Å; F375-I410 WeakPolarHBondContact O-CA 3.28Å; F375-L411 HydrophobicContact CB-CB 4.29Å; F375-L411 HydrophobicContact CD2-CD2 4.13Å; F375-L411 PolarHBondContact N-O 3.38Å; F375-L411 PolarHBondContact O-N 3.41Å; F375-I413 HydrophobicContact CD2-CD1 4.29Å; F375-I413 HydrophobicContact CE2-CD1 3.99Å; F375-Y424 HydrophobicContact CD2-CD1 4.22Å; F375-Y424 HydrophobicContact CD2-CD2 4.3Å; F375-Y424 AromaticContact CD2-CG 3.96Å; F375-Y424 HydrophobicContact CD2-CG 3.96Å; F375-Y424 HydrophobicContact CE2-CD1 4.09Å; F375-Y424 AromaticContact CE2-CD2 3.42Å; F375-Y424 HydrophobicContact CE2-CD2 3.42Å; F375-Y424 VanDerWaalsContact CE2-CD2 3.42Å; F375-Y424 HydrophobicContact CE2-CE1 4.46Å; F375-Y424 AromaticContact CE2-CE2 3.87Å; F375-Y424 HydrophobicContact CE2-CE2 3.87Å; F375-Y424 AromaticContact CE2-CG 3.54Å; F375-Y424 HydrophobicContact CE2-CG 3.54Å; F375-Y424 AromaticContact CZ-CD2 3.77Å; F375-Y424 HydrophobicContact CZ-CD2 3.77Å; F375-Y424 HydrophobicContact CZ-CE2 4.44Å; F375-Y424 HydrophobicContact CZ-CG 4.1Å; F375-A439 HydrophobicContact CD1-CB 3.9Å; F375-A439 HydrophobicContact CE1-CB 3.54Å; F375-A439 HydrophobicContact CZ-CB 4.48Å; F375-L441 HydrophobicContact CE2-CB 4.19Å; F375-L441 HydrophobicContact CZ-CB 3.87Å
376	T	92.4	Very high	87.4	Confident	36 Å²	36	63.7 Å²	63.7	22%	0.221	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135	176.5	-61	0	0	0	0	109.8	E360 P361 P362 R378 Q409	E360-T376 HydrophobicContact CG-CG2 4.44Å; P361-T376 CarbonylContact C-O 3.54Å; P362-T376 WeakPolarHBondContact CA-O 3.45Å; T376-R378 HydrophobicContact CG2-CG 3.88Å; T376-Q409 CarbonylContact C-O 3.49Å
377	C	92.1	Very high	88	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.			trans	-137.5	85.2	174.3	-174.2	0	0	0	0	109.4	E360 W389 Q409 C426	E360-C377 CarbonylContact O-C 3.49Å; E360-C377 WeakPolarHBondContact O-CA 3.49Å; C377-W389 HydrophobicContact CB-CH2 3.65Å; C377-W389 HydrophobicContact CB-CZ2 3.39Å; C377-Q409 PolarHBondContact N-O 2.77Å; C377-Q409 WeakPolarHBondContact O-CA 3.49Å; C377-Q409 VanDerWaalsContact O-CB 3.25Å; C377-Q409 WeakPolarHBondContact O-CB 3.01Å; C377-Q409 WeakPolarHBondContact O-CG 3.19Å; C377-C426 HydrophobicContact CB-CB 3.51Å; C377-C426 WeakPolarHBondContact CB-SG 3.42Å; C377-C426 WeakPolarHBondContact SG-CB 3.27Å; C377-C426 CovalentContact SG-SG 2.02Å; C377-C426 PolarHBondContact SG-SG 2.97Å
378	R	92.2	Very high	88.5	Confident	127 Å²	127	62.4 Å²	62.4	48%	0.479	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	135.8	179.4	-64.7	-168.2	177.4	139.3	-5.1	110.9	I358 I359 E360 T376	I358-R378 CarbonylContact C-O 3.57Å; I358-R378 WeakPolarHBondContact CA-O 3.28Å; I359-R378 HydrophobicContact CB-CB 4.32Å; I359-R378 PolarHBondContact N-O 2.92Å; E360-R378 HydrophobicContact CB-CB 3.8Å; E360-R378 HydrophobicContact CB-CG 4.07Å; E360-R378 PolarHBondContact N-O 3.21Å; E360-R378 PolarHBondContact O-N 3.27Å; E360-R378 WeakPolarHBondContact OE2-CD 3.42Å; E360-R378 IonicContact OE2-CZ 3.55Å; E360-R378 VanDerWaalsContact OE2-CZ 3.22Å; E360-R378 IonicContact OE2-NE 3.71Å; E360-R378 PolarHBondContact OE2-NE 2.92Å; E360-R378 IonicContact OE2-NH1 2.66Å; E360-R378 PolarHBondContact OE2-NH1 2.82Å; T376-R378 HydrophobicContact CG2-CG 3.88Å
379	V	90.8	Very high	89	Confident	15 Å²	15	61 Å²	61	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.4	-173.4	-55.8	0	0	0	0	111.8	K357 I358 P385 V387 Q409 A428	K357-V379 CarbonylContact O-C 3.49Å; K357-V379 WeakPolarHBondContact O-CA 3.15Å; I358-V379 HydrophobicContact CG1-CG1 4.26Å; V379-P385 HydrophobicContact CG2-CB 4.08Å; V379-P385 HydrophobicContact CG2-CG 4.19Å; V379-V387 HydrophobicContact CB-CG2 4.31Å; V379-V387 HydrophobicContact CG1-CG2 3.76Å; V379-V387 HydrophobicContact CG2-CG2 3.55Å; V379-Q409 HydrophobicContact CG2-CG 4.23Å; V379-A428 HydrophobicContact CB-CB 4.17Å; V379-A428 HydrophobicContact CG1-CB 3.49Å; V379-A428 VanDerWaalsContact CG1-CB 3.49Å
380	S	87.5	Confident	89.5	Confident	42 Å²	42	58.5 Å²	58.5	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158.2	169	55.8	0	0	0	0	110.7	V356 K357	V356-S380 CarbonylContact C-O 3.5Å; V356-S380 VanDerWaalsContact CA-O 3.28Å; V356-S380 WeakPolarHBondContact CA-O 3.31Å; K357-S380 PolarHBondContact N-O 2.89Å; K357-S380 PolarHBondContact O-N 2.94Å; K357-S380 PolarHBondContact O-OG 2.85Å
381	G	82.7	Confident	89.9	Confident	21 Å²	21	58.4 Å²	58.4	22%	0.216	28%	0.28	C	S	.	.			trans	153.9	160.4	178.8	0	0	0	0	0	110.8	S355 P383	S355-G381 WeakPolarHBondContact O-CA 3.22Å; G381-P383 CarbonylContact C-O 3.48Å
382	Y	77.6	Confident	89.8	Confident	174 Å²	174	58.9 Å²	58.9	68%	0.682	29%	0.285	S	S	*	.	S	Bend	trans	-137.1	122	176.4	-171.1	-92.1	0	0	0	110.5	K353 A354	K353-Y382 WeakPolarHBondContact O-CB 3.49Å; K353-Y382 PolarHBondContact O-N 2.87Å; A354-Y382 WeakPolarHBondContact CA-O 3.12Å
383	P	84.7	Confident	89.4	Confident	51 Å²	51	58.1 Å²	58.1	33%	0.331	29%	0.289	S	S	.	.	S	Bend	cis	-58.7	159.5	0	-24	35.5	0	0	0	113.7	G381 N430	G381-P383 CarbonylContact C-O 3.48Å; P383-N430 VanDerWaalsContact O-CB 3.24Å; P383-N430 WeakPolarHBondContact O-CB 3.42Å; P383-N430 PolarHBondContact O-ND2 3.11Å
384	R	85.7	Confident	89.2	Confident	190 Å²	190	60.9 Å²	60.9	72%	0.717	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-54.2	124.2	-175.2	-176.6	179.2	-177.9	-170.4	-0.3	110.1
385	P	88.9	Confident	89.2	Confident	11 Å²	11	61.7 Å²	61.7	7%	0.071	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-69.6	141.8	-177.2	-15	28.3	0	0	0	112.1	V356 V379 E429	V356-P385 HydrophobicContact CB-CG 4.37Å; V356-P385 HydrophobicContact CG1-CB 3.88Å; V356-P385 HydrophobicContact CG1-CG 3.89Å; V356-P385 HydrophobicContact CG2-CB 3.95Å; V356-P385 HydrophobicContact CG2-CG 3.87Å; V379-P385 HydrophobicContact CG2-CB 4.08Å; V379-P385 HydrophobicContact CG2-CG 4.19Å; P385-E429 CarbonylContact C-O 3.55Å; P385-E429 WeakPolarHBondContact CA-O 3.4Å
386	R	92.3	Very high	89.1	Confident	160 Å²	160	63.1 Å²	63.1	60%	0.604	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	136.1	166.5	-178.2	-176.1	-177.9	-178.2	1.2	108.7	A428 E429	R386-A428 CarbonylContact O-C 3.06Å; R386-A428 VanDerWaalsContact O-CA 3.28Å; R386-A428 WeakPolarHBondContact O-CA 3.45Å; R386-E429 HydrophobicContact CB-CG 4.28Å; R386-E429 PolarHBondContact N-O 2.94Å; R386-E429 PolarHBondContact O-N 2.84Å
387	V	93.9	Very high	88.9	Confident	13 Å²	13	71.6 Å²	71.6	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.4	178	-177.7	0	0	0	0	110.6	V379 G408 Q409 C426 V427 A428	V379-V387 HydrophobicContact CB-CG2 4.31Å; V379-V387 HydrophobicContact CG1-CG2 3.76Å; V379-V387 HydrophobicContact CG2-CG2 3.55Å; V387-G408 VanDerWaalsContact CG1-O 3.23Å; V387-G408 WeakPolarHBondContact CG1-O 3.33Å; V387-Q409 HydrophobicContact CG2-CG 4.14Å; V387-C426 WeakPolarHBondContact CG1-SG 3.23Å; V387-V427 CarbonylContact C-O 3.59Å; V387-V427 VanDerWaalsContact CA-O 3.3Å; V387-V427 WeakPolarHBondContact CA-O 3.49Å; V387-A428 HydrophobicContact CG2-CB 4.13Å
388	Q	94.2	Very high	88.6	Confident	47 Å²	47	77.8 Å²	77.8	22%	0.22	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.2	174.7	-64.3	-175.3	-62.4	0	0	110.3	F390 L395 C426 V427	Q388-F390 HydrophobicContact CB-CE2 4.03Å; Q388-L395 HydrophobicContact CB-CD1 4.04Å; Q388-C426 WeakPolarHBondContact O-CA 3.37Å; Q388-V427 PolarHBondContact N-O 3.27Å; Q388-V427 PolarHBondContact O-N 2.86Å
389	W	95.4	Very high	88.4	Confident	7 Å²	7	75.3 Å²	75.3	3%	0.027	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.6	177.7	-68.4	85.9	0	0	0	111.8	P362 F375 C377 I396 G408 L411 T425 C426	P362-W389 HydrophobicContact CB-CH2 3.87Å; P362-W389 HydrophobicContact CB-CZ3 4.01Å; P362-W389 HydrophobicContact CG-CH2 4.09Å; P362-W389 HydrophobicContact CG-CZ3 4.04Å; F375-W389 HydrophobicContact CB-CH2 3.48Å; F375-W389 VanDerWaalsContact CB-CH2 3.48Å; F375-W389 HydrophobicContact CB-CZ2 4.27Å; F375-W389 HydrophobicContact CB-CZ3 3.67Å; F375-W389 HydrophobicContact CG-CZ3 4.31Å; C377-W389 HydrophobicContact CB-CH2 3.65Å; C377-W389 HydrophobicContact CB-CZ2 3.39Å; W389-I396 HydrophobicContact CB-CB 4.43Å; W389-I396 HydrophobicContact CB-CD1 3.91Å; W389-I396 PolarHBondContact O-N 2.86Å; W389-G408 PolarHBondContact NE1-O 2.76Å; W389-L411 HydrophobicContact CB-CD1 4.4Å; W389-L411 HydrophobicContact CB-CD2 4.17Å; W389-L411 HydrophobicContact CD2-CB 3.72Å; W389-L411 HydrophobicContact CD2-CD2 3.84Å; W389-L411 HydrophobicContact CD2-CG 4.32Å; W389-L411 HydrophobicContact CE3-CB 4.2Å; W389-L411 HydrophobicContact CE3-CD2 3.73Å; W389-L411 HydrophobicContact CG-CB 4.01Å; W389-L411 HydrophobicContact CG-CD1 4.34Å; W389-L411 HydrophobicContact CG-CD2 4.05Å; W389-L411 HydrophobicContact CG-CG 4.38Å; W389-L411 HydrophobicContact CH2-CB 4.48Å; W389-L411 HydrophobicContact CZ2-CB 4.03Å; W389-L411 HydrophobicContact CZ3-CD2 4.39Å; W389-T425 CarbonylContact C-O 3.6Å; W389-T425 VanDerWaalsContact CA-O 3.28Å; W389-T425 WeakPolarHBondContact CA-O 3.39Å; W389-C426 HydrophobicContact CD2-CB 4.24Å; W389-C426 HydrophobicContact CE3-CB 4.03Å; W389-C426 HydrophobicContact CH2-CB 3.91Å; W389-C426 HydrophobicContact CZ2-CB 4.13Å; W389-C426 HydrophobicContact CZ3-CB 3.87Å
390	F	93.4	Very high	88	Confident	46 Å²	46	77.7 Å²	77.7	20%	0.202	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.3	177.3	-59.7	-105.3	0	0	0	109.5	Q388 G393 A394 L395 Y424 T425 V427	Q388-F390 HydrophobicContact CB-CE2 4.03Å; F390-G393 WeakPolarHBondContact CD1-O 3.37Å; F390-A394 CarbonylContact C-O 3.45Å; F390-A394 WeakPolarHBondContact CA-O 3.18Å; F390-L395 HydrophobicContact CD1-CB 4.07Å; F390-L395 HydrophobicContact CD1-CD1 4.39Å; F390-L395 HydrophobicContact CE1-CB 3.9Å; F390-L395 HydrophobicContact CE1-CD1 3.94Å; F390-L395 HydrophobicContact CE2-CD1 4.14Å; F390-L395 HydrophobicContact CZ-CD1 3.79Å; F390-Y424 CarbonylContact O-C 3.47Å; F390-Y424 VanDerWaalsContact O-CA 3.27Å; F390-Y424 WeakPolarHBondContact O-CA 3.29Å; F390-T425 PolarHBondContact N-O 3.43Å; F390-T425 PolarHBondContact O-N 3.4Å; F390-V427 HydrophobicContact CD2-CG2 3.82Å; F390-V427 HydrophobicContact CE2-CB 4Å; F390-V427 HydrophobicContact CE2-CG2 3.57Å
391	L	90.8	Very high	88.1	Confident	38 Å²	38	78.6 Å²	78.6	20%	0.199	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.1	169.2	171.2	57.2	0	0	0	107.6	G393 A394 I396 V423 Y424	L391-G393 PolarHBondContact O-N 3.25Å; L391-G393 VanDerWaalsContact O-N 3.11Å; L391-A394 PolarHBondContact N-O 3.48Å; L391-A394 PolarHBondContact O-N 2.76Å; L391-I396 HydrophobicContact CB-CD1 3.97Å; L391-I396 HydrophobicContact CB-CG1 3.85Å; L391-V423 WeakPolarHBondContact CA-O 3.16Å; L391-Y424 HydrophobicContact CB-CD1 4.49Å; L391-Y424 HydrophobicContact CB-CE1 4.18Å; L391-Y424 HydrophobicContact CD1-CD1 4.44Å; L391-Y424 HydrophobicContact CD1-CD2 4.05Å; L391-Y424 HydrophobicContact CD1-CE1 4.06Å; L391-Y424 HydrophobicContact CD1-CE2 3.61Å; L391-Y424 HydrophobicContact CD1-CG 4.46Å; L391-Y424 HydrophobicContact CD2-CE1 4.46Å; L391-Y424 HydrophobicContact CG-CE1 4.46Å
392	N	85	Confident	88.5	Confident	104 Å²	104	78.3 Å²	78.3	56%	0.556	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	35.6	-178.1	-59.9	-31	0	0	0	112.6	A394 G422 V423	N392-A394 VanDerWaalsContact C-N 3.32Å; N392-A394 PolarHBondContact O-N 2.8Å; N392-G422 WeakPolarHBondContact OD1-CA 3.34Å; N392-V423 PolarHBondContact N-O 3.27Å; N392-V423 PolarHBondContact OD1-N 2.9Å
393	G	81.3	Confident	89.1	Confident	58 Å²	58	76.5 Å²	76.5	60%	0.598	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-8.4	-178.8	0	0	0	0	0	115.7	F390 L391	F390-G393 WeakPolarHBondContact CD1-O 3.37Å; L391-G393 PolarHBondContact O-N 3.25Å; L391-G393 VanDerWaalsContact O-N 3.11Å
394	A	86.9	Confident	89.4	Confident	63 Å²	63	75.5 Å²	75.5	52%	0.521	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.5	175.1	0	0	0	0	0	111.2	F390 L391 N392 I396	F390-A394 CarbonylContact C-O 3.45Å; F390-A394 WeakPolarHBondContact CA-O 3.18Å; L391-A394 PolarHBondContact N-O 3.48Å; L391-A394 PolarHBondContact O-N 2.76Å; N392-A394 VanDerWaalsContact C-N 3.32Å; N392-A394 PolarHBondContact O-N 2.8Å; A394-I396 PolarHBondContact O-N 2.87Å
395	L	91.6	Very high	89.5	Confident	91 Å²	91	69.7 Å²	69.7	48%	0.476	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	125.2	178.6	-177.4	72.2	0	0	0	110.3	Q388 F390 R397	Q388-L395 HydrophobicContact CB-CD1 4.04Å; F390-L395 HydrophobicContact CD1-CB 4.07Å; F390-L395 HydrophobicContact CD1-CD1 4.39Å; F390-L395 HydrophobicContact CE1-CB 3.9Å; F390-L395 HydrophobicContact CE1-CD1 3.94Å; F390-L395 HydrophobicContact CE2-CD1 4.14Å; F390-L395 HydrophobicContact CZ-CD1 3.79Å; L395-R397 PolarHBondContact O-N 2.79Å
396	I	91.4	Very high	88.9	Confident	31 Å²	31	74.9 Å²	74.9	16%	0.159	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-70.3	126.8	177.9	-69.1	175.6	0	0	0	109.3	W389 L391 A394 V402 L411 Y424	W389-I396 HydrophobicContact CB-CB 4.43Å; W389-I396 HydrophobicContact CB-CD1 3.91Å; W389-I396 PolarHBondContact O-N 2.86Å; L391-I396 HydrophobicContact CB-CD1 3.97Å; L391-I396 HydrophobicContact CB-CG1 3.85Å; A394-I396 PolarHBondContact O-N 2.87Å; I396-V402 HydrophobicContact CG2-CB 4.38Å; I396-V402 HydrophobicContact CG2-CG1 3.51Å; I396-L411 HydrophobicContact CD1-CD1 4.1Å; I396-L411 HydrophobicContact CD1-CD2 3.66Å; I396-L411 HydrophobicContact CG2-CD1 4.15Å; I396-Y424 HydrophobicContact CD1-CD1 3.62Å; I396-Y424 HydrophobicContact CD1-CE1 3.58Å
397	R	88.4	Confident	88.2	Confident	214 Å²	214	68.7 Å²	68.7	81%	0.808	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-94.8	131.6	169.5	-65.7	-177.9	177.7	175.8	-0.6	108.9	L395 T399	L395-R397 PolarHBondContact O-N 2.79Å; R397-T399 PolarHBondContact O-N 3.3Å
398	E	86	Confident	87.9	Confident	130 Å²	130	68.5 Å²	68.5	61%	0.607	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-61.4	132.5	174.8	-69.1	-173.9	-142.5	0	0	110.8	V402 V404	E398-V402 CarbonylContact C-O 3.37Å; E398-V402 WeakPolarHBondContact CA-O 3.49Å; E398-V404 HydrophobicContact CG-CB 4.25Å; E398-V404 HydrophobicContact CG-CG2 4.19Å
399	T	87.8	Confident	87.8	Confident	76 Å²	76	68.4 Å²	68.4	47%	0.466	40%	0.398	S	S	.	.			trans	-137.4	-179.9	178	59.2	0	0	0	0	109.3	R397 H401 V402	R397-T399 PolarHBondContact O-N 3.3Å; T399-H401 PolarHBondContact O-N 3.33Å; T399-H401 PolarHBondContact OG1-N 3.27Å; T399-V402 PolarHBondContact N-O 2.91Å; T399-V402 PolarHBondContact OG1-N 2.86Å
400	G	82.3	Confident	87.7	Confident	64 Å²	64	70.8 Å²	70.8	66%	0.66	41%	0.411	S	S	*	.	S	Bend	trans	-64.1	-22.1	168.6	0	0	0	0	0	113.6	Q414	G400-Q414 PolarHBondContact O-OE1 3.27Å
401	H	89.5	Confident	87.7	Confident	62 Å²	62	68.6 Å²	68.6	29%	0.287	40%	0.402	S	S	.	.	S	Bend	trans	-87.7	-42.4	179.9	179.2	56.8	0	0	0	112.2	T399 Q414 V415 D420	T399-H401 PolarHBondContact O-N 3.33Å; T399-H401 PolarHBondContact OG1-N 3.27Å; H401-Q414 PolarHBondContact CE1-O 2.78Å; H401-Q414 VanDerWaalsContact CE1-O 3.31Å; H401-Q414 PolarHBondContact ND1-O 2.95Å; H401-Q414 PolarHBondContact O-N 2.97Å; H401-V415 PolarHBondContact CE1-O 3.05Å; H401-D420 IonicContact CD2-OD1 3.37Å; H401-D420 IonicContact CE1-OD1 2.69Å; H401-D420 IonicContact CE1-OD2 2.63Å; H401-D420 PolarHBondContact CE1-OD2 2.95Å; H401-D420 IonicContact NE2-OD1 3.22Å; H401-D420 PolarHBondContact NE2-OD1 2.86Å; H401-D420 IonicContact NE2-OD2 3.86Å; H401-D420 PolarHBondContact NE2-OD2 2.85Å
402	V	90.8	Very high	87.8	Confident	14 Å²	14	69.4 Å²	69.4	9%	0.085	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123	-177.8	-175.2	0	0	0	0	110.7	I396 E398 T399 L411 L412 I413	I396-V402 HydrophobicContact CG2-CB 4.38Å; I396-V402 HydrophobicContact CG2-CG1 3.51Å; E398-V402 CarbonylContact C-O 3.37Å; E398-V402 WeakPolarHBondContact CA-O 3.49Å; T399-V402 PolarHBondContact N-O 2.91Å; T399-V402 PolarHBondContact OG1-N 2.86Å; V402-L411 HydrophobicContact CG1-CD1 3.45Å; V402-L411 VanDerWaalsContact CG1-CD1 3.45Å; V402-L411 HydrophobicContact CG1-CG 4.41Å; V402-L412 CarbonylContact C-O 3.53Å; V402-L412 WeakPolarHBondContact CA-O 3.16Å; V402-I413 HydrophobicContact CG2-CG1 4.42Å
403	R	91.7	Very high	88.1	Confident	137 Å²	137	64.4 Å²	64.4	52%	0.517	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.2	-177.1	-72.8	-177.3	148.2	170.9	-7	112.1	L412	R403-L412 HydrophobicContact CB-CB 4.39Å; R403-L412 PolarHBondContact N-O 3.27Å; R403-L412 PolarHBondContact O-N 2.87Å
404	V	91.1	Very high	88.3	Confident	30 Å²	30	64.8 Å²	64.8	18%	0.182	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.7	174	-176.6	0	0	0	0	108.9	E398 I410 L411	E398-V404 HydrophobicContact CG-CB 4.25Å; E398-V404 HydrophobicContact CG-CG2 4.19Å; V404-I410 WeakPolarHBondContact CA-O 3.29Å; V404-L411 HydrophobicContact CG2-CD1 3.65Å
405	T	87.4	Confident	88.2	Confident	67 Å²	67	66.1 Å²	66.1	41%	0.411	37%	0.367	S	S	.	.			trans	-69.2	162	179.8	54.8	0	0	0	0	112.5	G407 G408 I410	T405-G407 PolarHBondContact O-N 2.8Å; T405-G408 PolarHBondContact O-N 2.95Å; T405-I410 HydrophobicContact CG2-CB 3.66Å; T405-I410 HydrophobicContact CG2-CD1 4.28Å; T405-I410 HydrophobicContact CG2-CG1 4.44Å; T405-I410 HydrophobicContact CG2-CG2 4.11Å; T405-I410 PolarHBondContact N-O 2.76Å; T405-I410 WeakPolarHBondContact OG1-CB 3.45Å; T405-I410 PolarHBondContact OG1-N 2.77Å; T405-I410 PolarHBondContact OG1-O 2.02Å
406	A	75.2	Confident	87.8	Confident	120 Å²	120	61.9 Å²	61.9	99%	0.992	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	17.5	-176.4	0	0	0	0	0	116.9
407	G	79.1	Confident	87.6	Confident	30 Å²	30	61.6 Å²	61.6	31%	0.309	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.6	10	168.8	0	0	0	0	0	114	T405 Q409	T405-G407 PolarHBondContact O-N 2.8Å; G407-Q409 PolarHBondContact O-N 3.01Å
408	G	87.6	Confident	87.2	Confident	9 Å²	9	56 Å²	56	9%	0.093	33%	0.334	C	S	.	.	S	Bend	trans	77.9	-13.2	179.8	0	0	0	0	0	115.5	V387 W389 T405 I410	V387-G408 VanDerWaalsContact CG1-O 3.23Å; V387-G408 WeakPolarHBondContact CG1-O 3.33Å; W389-G408 PolarHBondContact NE1-O 2.76Å; T405-G408 PolarHBondContact O-N 2.95Å; G408-I410 PolarHBondContact O-N 2.86Å
409	Q	91.8	Very high	87	Confident	45 Å²	45	59.1 Å²	59.1	21%	0.21	35%	0.346	C	S	.	.	S	Bend	trans	-80.9	-9.2	-167.4	-65.6	-175.7	34.8	0	0	115.2	T376 C377 V379 V387 G407	T376-Q409 CarbonylContact C-O 3.49Å; C377-Q409 PolarHBondContact N-O 2.77Å; C377-Q409 WeakPolarHBondContact O-CA 3.49Å; C377-Q409 VanDerWaalsContact O-CB 3.25Å; C377-Q409 WeakPolarHBondContact O-CB 3.01Å; C377-Q409 WeakPolarHBondContact O-CG 3.19Å; V379-Q409 HydrophobicContact CG2-CG 4.23Å; V387-Q409 HydrophobicContact CG2-CG 4.14Å; G407-Q409 PolarHBondContact O-N 3.01Å
410	I	92.5	Very high	87.1	Confident	58 Å²	58	56.2 Å²	56.2	30%	0.297	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127	178.4	-58.5	172.3	0	0	0	108.3	T374 F375 V404 T405 G408	T374-I410 HydrophobicContact CG2-CG2 3.45Å; T374-I410 VanDerWaalsContact CG2-CG2 3.45Å; F375-I410 WeakPolarHBondContact O-CA 3.28Å; V404-I410 WeakPolarHBondContact CA-O 3.29Å; T405-I410 HydrophobicContact CG2-CB 3.66Å; T405-I410 HydrophobicContact CG2-CD1 4.28Å; T405-I410 HydrophobicContact CG2-CG1 4.44Å; T405-I410 HydrophobicContact CG2-CG2 4.11Å; T405-I410 PolarHBondContact N-O 2.76Å; T405-I410 WeakPolarHBondContact OG1-CB 3.45Å; T405-I410 PolarHBondContact OG1-N 2.77Å; T405-I410 PolarHBondContact OG1-O 2.02Å; G408-I410 PolarHBondContact O-N 2.86Å
411	L	93.8	Very high	87.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.2	173.5	174.7	74.2	0	0	0	109	T374 F375 W389 I396 V402 V404 Y424	T374-L411 CarbonylContact C-O 3.55Å; T374-L411 WeakPolarHBondContact CA-O 3.33Å; F375-L411 HydrophobicContact CB-CB 4.29Å; F375-L411 HydrophobicContact CD2-CD2 4.13Å; F375-L411 PolarHBondContact N-O 3.38Å; F375-L411 PolarHBondContact O-N 3.41Å; W389-L411 HydrophobicContact CB-CD1 4.4Å; W389-L411 HydrophobicContact CB-CD2 4.17Å; W389-L411 HydrophobicContact CD2-CB 3.72Å; W389-L411 HydrophobicContact CD2-CD2 3.84Å; W389-L411 HydrophobicContact CD2-CG 4.32Å; W389-L411 HydrophobicContact CE3-CB 4.2Å; W389-L411 HydrophobicContact CE3-CD2 3.73Å; W389-L411 HydrophobicContact CG-CB 4.01Å; W389-L411 HydrophobicContact CG-CD1 4.34Å; W389-L411 HydrophobicContact CG-CD2 4.05Å; W389-L411 HydrophobicContact CG-CG 4.38Å; W389-L411 HydrophobicContact CH2-CB 4.48Å; W389-L411 HydrophobicContact CZ2-CB 4.03Å; W389-L411 HydrophobicContact CZ3-CD2 4.39Å; I396-L411 HydrophobicContact CD1-CD1 4.1Å; I396-L411 HydrophobicContact CD1-CD2 3.66Å; I396-L411 HydrophobicContact CG2-CD1 4.15Å; V402-L411 HydrophobicContact CG1-CD1 3.45Å; V402-L411 VanDerWaalsContact CG1-CD1 3.45Å; V402-L411 HydrophobicContact CG1-CG 4.41Å; V404-L411 HydrophobicContact CG2-CD1 3.65Å; L411-Y424 HydrophobicContact CD2-CD1 3.31Å; L411-Y424 HydrophobicContact CD2-CE1 3.68Å; L411-Y424 HydrophobicContact CD2-CG 4.33Å
412	L	92.6	Very high	87.1	Confident	54 Å²	54	51.7 Å²	51.7	28%	0.283	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.2	-179.9	-175.4	77.4	0	0	0	109.4	V373 T374 V402 R403 Q414	V373-L412 WeakPolarHBondContact O-CA 3.2Å; T374-L412 VanDerWaalsContact OG1-CD1 3.29Å; T374-L412 WeakPolarHBondContact OG1-CD1 3.37Å; V402-L412 CarbonylContact C-O 3.53Å; V402-L412 WeakPolarHBondContact CA-O 3.16Å; R403-L412 HydrophobicContact CB-CB 4.39Å; R403-L412 PolarHBondContact N-O 3.27Å; R403-L412 PolarHBondContact O-N 2.87Å; L412-Q414 HydrophobicContact CD2-CG 3.67Å; L412-Q414 HydrophobicContact CG-CG 3.99Å
413	I	92.3	Very high	86.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.8	171.1	-56.1	157	0	0	0	106.4	S372 V373 F375 V402 T416 D420 Y424 L441	S372-I413 CarbonylContact C-O 3.53Å; S372-I413 VanDerWaalsContact CA-O 3.26Å; S372-I413 WeakPolarHBondContact CA-O 3.3Å; V373-I413 HydrophobicContact CB-CB 4.39Å; V373-I413 HydrophobicContact CB-CD1 4.34Å; V373-I413 HydrophobicContact CG1-CD1 4.37Å; V373-I413 PolarHBondContact N-O 3.31Å; V373-I413 PolarHBondContact O-N 2.87Å; F375-I413 HydrophobicContact CD2-CD1 4.29Å; F375-I413 HydrophobicContact CE2-CD1 3.99Å; V402-I413 HydrophobicContact CG2-CG1 4.42Å; I413-T416 HydrophobicContact CG2-CG2 4.02Å; I413-D420 HydrophobicContact CG2-CB 4.3Å; I413-Y424 HydrophobicContact CD1-CE1 3.71Å; I413-Y424 HydrophobicContact CD1-CE2 4.02Å; I413-Y424 WeakPolarHBondContact CD1-OH 3.27Å; I413-Y424 HydrophobicContact CG1-CE1 4.44Å; I413-L441 HydrophobicContact CD1-CD2 3.59Å
414	Q	83.9	Confident	87	Confident	65 Å²	65	47.3 Å²	47.3	30%	0.304	28%	0.282	S	S	.	.	S	Bend	trans	-95.7	117.4	-176	-56.2	-164.9	-98.5	0	0	109.6	G400 H401 L412	G400-Q414 PolarHBondContact O-OE1 3.27Å; H401-Q414 PolarHBondContact CE1-O 2.78Å; H401-Q414 VanDerWaalsContact CE1-O 3.31Å; H401-Q414 PolarHBondContact ND1-O 2.95Å; H401-Q414 PolarHBondContact O-N 2.97Å; L412-Q414 HydrophobicContact CD2-CG 3.67Å; L412-Q414 HydrophobicContact CG-CG 3.99Å
415	V	84.7	Confident	87.1	Confident	92 Å²	92	47.1 Å²	47.1	56%	0.558	28%	0.281	S	S	*	.	S	Bend	trans	63.5	77.2	179.9	-168.3	0	0	0	0	112.3	E371 S372 H401 G417	E371-V415 CarbonylContact O-C 3.58Å; E371-V415 VanDerWaalsContact O-CA 3.31Å; E371-V415 WeakPolarHBondContact O-CA 3.48Å; E371-V415 PolarHBondContact O-N 2.83Å; S372-V415 PolarHBondContact OG-N 3.16Å; H401-V415 PolarHBondContact CE1-O 3.05Å; V415-G417 PolarHBondContact O-N 3.04Å
416	T	84.8	Confident	87.4	Confident	2 Å²	2	44 Å²	44	1%	0.012	26%	0.262	C	S	.	.			trans	-57.3	131.4	-178	48.9	0	0	0	0	112.7	A367 D368 I369 G370 E371 V373 I413 D420 L441 V443	A367-T416 HydrophobicContact CB-CG2 4.25Å; D368-T416 PolarHBondContact O-OG1 2.9Å; I369-T416 WeakPolarHBondContact CG1-O 3.23Å; G370-T416 PolarHBondContact N-O 2.8Å; G370-T416 PolarHBondContact N-OG1 2.86Å; E371-T416 PolarHBondContact N-OG1 2.86Å; E371-T416 WeakPolarHBondContact O-CG2 3.4Å; E371-T416 PolarHBondContact O-N 2.82Å; E371-T416 PolarHBondContact O-OG1 2.89Å; E371-T416 VanDerWaalsContact O-OG1 3.09Å; V373-T416 HydrophobicContact CB-CG2 4.27Å; V373-T416 HydrophobicContact CG2-CG2 3.63Å; I413-T416 HydrophobicContact CG2-CG2 4.02Å; T416-D420 WeakPolarHBondContact CA-OD2 3.39Å; T416-L441 HydrophobicContact CG2-CD2 4.23Å; T416-V443 HydrophobicContact CG2-CG2 4.33Å
417	G	85.9	Confident	88.3	Confident	24 Å²	24	39.1 Å²	39.1	25%	0.247	22%	0.22	C	C	.	.			trans	-107.5	165.3	165.1	0	0	0	0	0	111	V415 K419 D420 V443	V415-G417 PolarHBondContact O-N 3.04Å; G417-K419 PolarHBondContact O-N 3.04Å; G417-D420 PolarHBondContact N-OD2 3.01Å; G417-D420 WeakPolarHBondContact O-CB 3.04Å; G417-D420 PolarHBondContact O-N 2.82Å; G417-V443 WeakPolarHBondContact O-CG2 3.28Å
418	L	79.6	Confident	89	Confident	96 Å²	96	37.7 Å²	37.7	50%	0.503	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-52.3	-32.4	178	-71.6	175.2	0	0	0	113.6	I369 D420 S421 V443	I369-L418 HydrophobicContact CD1-CG 4.33Å; L418-D420 PolarHBondContact O-N 3.43Å; L418-S421 PolarHBondContact O-N 2.94Å; L418-S421 PolarHBondContact O-OG 3.18Å; L418-S421 VanDerWaalsContact O-OG 3.11Å; L418-V443 HydrophobicContact CD2-CG1 4.47Å
419	K	83.5	Confident	89.2	Confident	196 Å²	196	40.2 Å²	40.2	85%	0.852	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-69.3	-14.3	179.1	-63.6	-175.4	178.7	-177	0	114.5	G417 S421	G417-K419 PolarHBondContact O-N 3.04Å; K419-S421 VanDerWaalsContact C-N 3.3Å
420	D	89.7	Confident	89	Confident	15 Å²	15	39.3 Å²	39.3	8%	0.08	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-83	-10.1	176.8	-59.5	-45.4	0	0	0	112.3	H401 I413 T416 G417 L418 G422 Y424 L441 V443	H401-D420 IonicContact CD2-OD1 3.37Å; H401-D420 IonicContact CE1-OD1 2.69Å; H401-D420 IonicContact CE1-OD2 2.63Å; H401-D420 PolarHBondContact CE1-OD2 2.95Å; H401-D420 IonicContact NE2-OD1 3.22Å; H401-D420 PolarHBondContact NE2-OD1 2.86Å; H401-D420 IonicContact NE2-OD2 3.86Å; H401-D420 PolarHBondContact NE2-OD2 2.85Å; I413-D420 HydrophobicContact CG2-CB 4.3Å; T416-D420 WeakPolarHBondContact CA-OD2 3.39Å; G417-D420 PolarHBondContact N-OD2 3.01Å; G417-D420 WeakPolarHBondContact O-CB 3.04Å; G417-D420 PolarHBondContact O-N 2.82Å; L418-D420 PolarHBondContact O-N 3.43Å; D420-G422 PolarHBondContact O-N 3.22Å; D420-Y424 VanDerWaalsContact O-CE2 3.31Å; D420-Y424 WeakPolarHBondContact O-CE2 3.19Å; D420-Y424 PolarHBondContact O-OH 3.28Å; D420-L441 HydrophobicContact CB-CD2 4.04Å; D420-L441 WeakPolarHBondContact O-CD2 3.08Å; D420-V443 HydrophobicContact CB-CG2 4.29Å
421	S	86	Confident	88.8	Confident	28 Å²	28	42.6 Å²	42.6	20%	0.196	23%	0.234	C	C	.	.			trans	-63.5	137	174.5	-50.5	0	0	0	0	110.4	L418 K419 L441 V443	L418-S421 PolarHBondContact O-N 2.94Å; L418-S421 PolarHBondContact O-OG 3.18Å; L418-S421 VanDerWaalsContact O-OG 3.11Å; K419-S421 VanDerWaalsContact C-N 3.3Å; S421-L441 CarbonylContact C-O 3.56Å; S421-L441 WeakPolarHBondContact CA-O 3.44Å; S421-V443 WeakPolarHBondContact OG-CB 3.34Å; S421-V443 PolarHBondContact OG-N 3.04Å
422	G	85.6	Confident	88.1	Confident	4 Å²	4	47.5 Å²	47.5	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.3	-178.8	-179.1	0	0	0	0	0	114.3	N392 D420 F440 L441	N392-G422 WeakPolarHBondContact OD1-CA 3.34Å; D420-G422 PolarHBondContact O-N 3.22Å; G422-F440 WeakPolarHBondContact O-CA 3.36Å; G422-F440 WeakPolarHBondContact O-CD2 3.33Å; G422-L441 PolarHBondContact N-O 2.9Å; G422-L441 PolarHBondContact O-N 2.95Å
423	V	87	Confident	87.8	Confident	57 Å²	57	46.7 Å²	46.7	35%	0.345	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.6	179.1	-177.7	0	0	0	0	109.4	L391 N392 T438 A439 F440	L391-V423 WeakPolarHBondContact CA-O 3.16Å; N392-V423 PolarHBondContact N-O 3.27Å; N392-V423 PolarHBondContact OD1-N 2.9Å; V423-T438 HydrophobicContact CG1-CG2 4.07Å; V423-A439 CarbonylContact C-O 3.54Å; V423-A439 WeakPolarHBondContact CA-O 3.35Å; V423-F440 HydrophobicContact CG2-CD2 3.91Å
424	Y	92.5	Very high	87.8	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115.8	173	-73.7	-92.7	0	0	0	110.2	F375 F390 L391 I396 L411 I413 D420 T438 A439 L441	F375-Y424 HydrophobicContact CD2-CD1 4.22Å; F375-Y424 HydrophobicContact CD2-CD2 4.3Å; F375-Y424 AromaticContact CD2-CG 3.96Å; F375-Y424 HydrophobicContact CD2-CG 3.96Å; F375-Y424 HydrophobicContact CE2-CD1 4.09Å; F375-Y424 AromaticContact CE2-CD2 3.42Å; F375-Y424 HydrophobicContact CE2-CD2 3.42Å; F375-Y424 VanDerWaalsContact CE2-CD2 3.42Å; F375-Y424 HydrophobicContact CE2-CE1 4.46Å; F375-Y424 AromaticContact CE2-CE2 3.87Å; F375-Y424 HydrophobicContact CE2-CE2 3.87Å; F375-Y424 AromaticContact CE2-CG 3.54Å; F375-Y424 HydrophobicContact CE2-CG 3.54Å; F375-Y424 AromaticContact CZ-CD2 3.77Å; F375-Y424 HydrophobicContact CZ-CD2 3.77Å; F375-Y424 HydrophobicContact CZ-CE2 4.44Å; F375-Y424 HydrophobicContact CZ-CG 4.1Å; F390-Y424 CarbonylContact O-C 3.47Å; F390-Y424 VanDerWaalsContact O-CA 3.27Å; F390-Y424 WeakPolarHBondContact O-CA 3.29Å; L391-Y424 HydrophobicContact CB-CD1 4.49Å; L391-Y424 HydrophobicContact CB-CE1 4.18Å; L391-Y424 HydrophobicContact CD1-CD1 4.44Å; L391-Y424 HydrophobicContact CD1-CD2 4.05Å; L391-Y424 HydrophobicContact CD1-CE1 4.06Å; L391-Y424 HydrophobicContact CD1-CE2 3.61Å; L391-Y424 HydrophobicContact CD1-CG 4.46Å; L391-Y424 HydrophobicContact CD2-CE1 4.46Å; L391-Y424 HydrophobicContact CG-CE1 4.46Å; I396-Y424 HydrophobicContact CD1-CD1 3.62Å; I396-Y424 HydrophobicContact CD1-CE1 3.58Å; L411-Y424 HydrophobicContact CD2-CD1 3.31Å; L411-Y424 HydrophobicContact CD2-CE1 3.68Å; L411-Y424 HydrophobicContact CD2-CG 4.33Å; I413-Y424 HydrophobicContact CD1-CE1 3.71Å; I413-Y424 HydrophobicContact CD1-CE2 4.02Å; I413-Y424 WeakPolarHBondContact CD1-OH 3.27Å; I413-Y424 HydrophobicContact CG1-CE1 4.44Å; D420-Y424 VanDerWaalsContact O-CE2 3.31Å; D420-Y424 WeakPolarHBondContact O-CE2 3.19Å; D420-Y424 PolarHBondContact O-OH 3.28Å; Y424-T438 CarbonylContact O-C 3.51Å; Y424-T438 VanDerWaalsContact O-CA 3.31Å; Y424-T438 WeakPolarHBondContact O-CA 3.43Å; Y424-A439 PolarHBondContact N-O 2.8Å; Y424-A439 PolarHBondContact O-N 3.45Å; Y424-L441 HydrophobicContact CD2-CB 3.9Å; Y424-L441 HydrophobicContact CE2-CB 3.59Å; Y424-L441 HydrophobicContact CE2-CD2 3.93Å; Y424-L441 HydrophobicContact CE2-CG 4.38Å
425	T	92.7	Very high	88	Confident	27 Å²	27	50.5 Å²	50.5	17%	0.166	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.1	178.7	-48.5	0	0	0	0	110.2	W389 F390 V427 S437 T438	W389-T425 CarbonylContact C-O 3.6Å; W389-T425 VanDerWaalsContact CA-O 3.28Å; W389-T425 WeakPolarHBondContact CA-O 3.39Å; F390-T425 PolarHBondContact N-O 3.43Å; F390-T425 PolarHBondContact O-N 3.4Å; T425-V427 HydrophobicContact CG2-CG2 4.05Å; T425-S437 CarbonylContact C-O 3.45Å; T425-S437 WeakPolarHBondContact CA-O 3.29Å; T425-T438 HydrophobicContact CG2-CG2 3.85Å; T425-T438 WeakPolarHBondContact OG1-CG2 3.37Å
426	C	94.1	Very high	88.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.5	164.6	170.8	0	0	0	0	109.6	C377 V387 Q388 W389 S436 S437	C377-C426 HydrophobicContact CB-CB 3.51Å; C377-C426 WeakPolarHBondContact CB-SG 3.42Å; C377-C426 WeakPolarHBondContact SG-CB 3.27Å; C377-C426 CovalentContact SG-SG 2.02Å; C377-C426 PolarHBondContact SG-SG 2.97Å; V387-C426 WeakPolarHBondContact CG1-SG 3.23Å; Q388-C426 WeakPolarHBondContact O-CA 3.37Å; W389-C426 HydrophobicContact CD2-CB 4.24Å; W389-C426 HydrophobicContact CE3-CB 4.03Å; W389-C426 HydrophobicContact CH2-CB 3.91Å; W389-C426 HydrophobicContact CZ2-CB 4.13Å; W389-C426 HydrophobicContact CZ3-CB 3.87Å; C426-S436 CarbonylContact O-C 3.45Å; C426-S436 WeakPolarHBondContact O-CA 3.28Å; C426-S436 WeakPolarHBondContact O-CB 2.98Å; C426-S437 PolarHBondContact N-O 3.48Å; C426-S437 PolarHBondContact O-N 3.44Å
427	V	94.4	Very high	88.7	Confident	19 Å²	19	51.2 Å²	51.2	12%	0.115	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.7	173	-177.4	0	0	0	0	108.7	V387 Q388 F390 T425 Q434	V387-V427 CarbonylContact C-O 3.59Å; V387-V427 VanDerWaalsContact CA-O 3.3Å; V387-V427 WeakPolarHBondContact CA-O 3.49Å; Q388-V427 PolarHBondContact N-O 3.27Å; Q388-V427 PolarHBondContact O-N 2.86Å; F390-V427 HydrophobicContact CD2-CG2 3.82Å; F390-V427 HydrophobicContact CE2-CB 4Å; F390-V427 HydrophobicContact CE2-CG2 3.57Å; T425-V427 HydrophobicContact CG2-CG2 4.05Å; V427-Q434 HydrophobicContact CG1-CG 3.76Å
428	A	93.2	Very high	88.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.1	-179.3	0	0	0	0	0	110	V356 V379 R386 V387 Q434 A435	V356-A428 HydrophobicContact CG1-CB 3.63Å; V379-A428 HydrophobicContact CB-CB 4.17Å; V379-A428 HydrophobicContact CG1-CB 3.49Å; V379-A428 VanDerWaalsContact CG1-CB 3.49Å; R386-A428 CarbonylContact O-C 3.06Å; R386-A428 VanDerWaalsContact O-CA 3.28Å; R386-A428 WeakPolarHBondContact O-CA 3.45Å; V387-A428 HydrophobicContact CG2-CB 4.13Å; A428-Q434 CarbonylContact O-C 3.2Å; A428-Q434 WeakPolarHBondContact O-CA 3.02Å; A428-Q434 WeakPolarHBondContact O-CG 3.5Å; A428-A435 PolarHBondContact N-O 2.98Å; A428-A435 PolarHBondContact O-N 3.27Å
429	E	92.7	Very high	89.3	Confident	61 Å²	61	49.5 Å²	49.5	29%	0.285	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.2	-175.8	63.7	179.8	-165.1	0	0	112.5	P385 R386 S433 Q434	P385-E429 CarbonylContact C-O 3.55Å; P385-E429 WeakPolarHBondContact CA-O 3.4Å; R386-E429 HydrophobicContact CB-CG 4.28Å; R386-E429 PolarHBondContact N-O 2.94Å; R386-E429 PolarHBondContact O-N 2.84Å; E429-S433 WeakPolarHBondContact CA-O 3.36Å; E429-Q434 HydrophobicContact CB-CB 4.25Å; E429-Q434 HydrophobicContact CB-CG 4.11Å; E429-Q434 PolarHBondContact OE2-NE2 2.91Å
430	N	88.1	Confident	89.4	Confident	26 Å²	26	42.7 Å²	42.7	14%	0.139	25%	0.248	C	C	.	.			trans	-130.1	-176.6	162.8	71	6.3	0	0	0	109.1	A354 V356 P383 I432 S433	A354-N430 PolarHBondContact O-ND2 3.42Å; V356-N430 HydrophobicContact CG2-CB 3.9Å; V356-N430 WeakPolarHBondContact CG2-OD1 3.11Å; P383-N430 VanDerWaalsContact O-CB 3.24Å; P383-N430 WeakPolarHBondContact O-CB 3.42Å; P383-N430 PolarHBondContact O-ND2 3.11Å; N430-I432 PolarHBondContact O-N 2.74Å; N430-I432 WeakPolarHBondContact OD1-CA 3.36Å; N430-I432 WeakPolarHBondContact OD1-CB 3.33Å; N430-I432 PolarHBondContact OD1-N 3.19Å; N430-S433 PolarHBondContact N-O 2.82Å; N430-S433 PolarHBondContact OD1-N 2.89Å; N430-S433 PolarHBondContact OD1-O 3.03Å
431	T	87.7	Confident	89.3	Confident	127 Å²	127	42 Å²	42	78%	0.779	24%	0.244	S	C	*	.	S	Bend	trans	-65.6	-1.2	-179.5	56.6	0	0	0	0	114.5
432	I	79.6	Confident	89.3	Confident	103 Å²	103	41.4 Å²	41.4	53%	0.528	24%	0.239	S	C	.	.	S	Bend	trans	-119.1	-37.2	-173.2	-56.2	179.1	0	0	0	111.7	A354 N430	A354-I432 HydrophobicContact CB-CD1 3.83Å; N430-I432 PolarHBondContact O-N 2.74Å; N430-I432 WeakPolarHBondContact OD1-CA 3.36Å; N430-I432 WeakPolarHBondContact OD1-CB 3.33Å; N430-I432 PolarHBondContact OD1-N 3.19Å
433	S	85.9	Confident	89.4	Confident	37 Å²	37	41.2 Å²	41.2	26%	0.259	24%	0.237	S	C	.	.			trans	-159.3	166.3	-174.2	55.2	0	0	0	0	112.8	S355 V356 E429 N430	S355-S433 WeakPolarHBondContact CA-OG 3.42Å; V356-S433 WeakPolarHBondContact CG2-O 3.49Å; V356-S433 PolarHBondContact N-OG 3.43Å; E429-S433 WeakPolarHBondContact CA-O 3.36Å; N430-S433 PolarHBondContact N-O 2.82Å; N430-S433 PolarHBondContact OD1-N 2.89Å; N430-S433 PolarHBondContact OD1-O 3.03Å
434	Q	91.3	Very high	89.2	Confident	123 Å²	123	40.1 Å²	40.1	58%	0.575	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.7	176.6	-176.1	-176.9	82.9	0	0	110	V427 A428 E429	V427-Q434 HydrophobicContact CG1-CG 3.76Å; A428-Q434 CarbonylContact O-C 3.2Å; A428-Q434 WeakPolarHBondContact O-CA 3.02Å; A428-Q434 WeakPolarHBondContact O-CG 3.5Å; E429-Q434 HydrophobicContact CB-CB 4.25Å; E429-Q434 HydrophobicContact CB-CG 4.11Å; E429-Q434 PolarHBondContact OE2-NE2 2.91Å
435	A	88.9	Confident	89	Confident	23 Å²	23	41 Å²	41	19%	0.19	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.2	171.1	0	0	0	0	0	109.7	V356 I358 A428	V356-A435 HydrophobicContact CB-CB 4.46Å; V356-A435 HydrophobicContact CG1-CB 4.05Å; I358-A435 HydrophobicContact CD1-CB 4.14Å; I358-A435 HydrophobicContact CG1-CB 3.98Å; A428-A435 PolarHBondContact N-O 2.98Å; A428-A435 PolarHBondContact O-N 3.27Å
436	S	93.1	Very high	88.6	Confident	79 Å²	79	41.8 Å²	41.8	55%	0.552	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138	155.5	177.8	63.1	0	0	0	0	112.3	C426	C426-S436 CarbonylContact O-C 3.45Å; C426-S436 WeakPolarHBondContact O-CA 3.28Å; C426-S436 WeakPolarHBondContact O-CB 2.98Å
437	S	91.8	Very high	88.3	Confident	29 Å²	29	42.1 Å²	42.1	20%	0.203	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.8	176.1	-171.8	0	0	0	0	110.5	P361 T425 C426	P361-S437 WeakPolarHBondContact CB-OG 3.5Å; T425-S437 CarbonylContact C-O 3.45Å; T425-S437 WeakPolarHBondContact CA-O 3.29Å; C426-S437 PolarHBondContact N-O 3.48Å; C426-S437 PolarHBondContact O-N 3.44Å
438	T	89.6	Confident	88.1	Confident	81 Å²	81	47.8 Å²	47.8	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.9	-174.6	53.8	0	0	0	0	112	V423 Y424 T425	V423-T438 HydrophobicContact CG1-CG2 4.07Å; Y424-T438 CarbonylContact O-C 3.51Å; Y424-T438 VanDerWaalsContact O-CA 3.31Å; Y424-T438 WeakPolarHBondContact O-CA 3.43Å; T425-T438 HydrophobicContact CG2-CG2 3.85Å; T425-T438 WeakPolarHBondContact OG1-CG2 3.37Å
439	A	87.3	Confident	88	Confident	3 Å²	3	49.5 Å²	49.5	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.7	165.3	0	0	0	0	0	110.6	P362 V363 N364 F375 V423 Y424	P362-A439 HydrophobicContact CB-CB 3.65Å; P362-A439 HydrophobicContact CG-CB 4.01Å; V363-A439 WeakPolarHBondContact O-CB 3.31Å; N364-A439 WeakPolarHBondContact OD1-CA 3.43Å; F375-A439 HydrophobicContact CD1-CB 3.9Å; F375-A439 HydrophobicContact CE1-CB 3.54Å; F375-A439 HydrophobicContact CZ-CB 4.48Å; V423-A439 CarbonylContact C-O 3.54Å; V423-A439 WeakPolarHBondContact CA-O 3.35Å; Y424-A439 PolarHBondContact N-O 2.8Å; Y424-A439 PolarHBondContact O-N 3.45Å
440	F	86.2	Confident	87.7	Confident	53 Å²	53	53.3 Å²	53.3	23%	0.232	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.3	177.9	-172.4	-109.3	0	0	0	110.8	N364 V365 G422 V423 Q442 H954	N364-F440 CarbonylContact C-O 3.55Å; N364-F440 VanDerWaalsContact CA-O 3.28Å; N364-F440 WeakPolarHBondContact CA-O 3.3Å; N364-F440 PolarHBondContact OD1-N 3.06Å; V365-F440 PolarHBondContact N-O 2.83Å; G422-F440 WeakPolarHBondContact O-CA 3.36Å; G422-F440 WeakPolarHBondContact O-CD2 3.33Å; V423-F440 HydrophobicContact CG2-CD2 3.91Å; F440-Q442 HydrophobicContact CD1-CB 4.11Å; F440-Q442 HydrophobicContact CE1-CB 3.71Å; F440-Q442 HydrophobicContact CE1-CG 4.31Å; F440-Q442 VanDerWaalsContact CE1-OE1 3.26Å; F440-H954 AromaticContact CZ-CE1 3.87Å
441	L	88.2	Confident	87.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.2	165.1	177	49.9	0	0	0	108.5	V365 A367 V373 F375 I413 T416 D420 S421 G422 Y424 V443	V365-L441 HydrophobicContact CB-CD1 4.21Å; V365-L441 HydrophobicContact CG1-CD1 4.29Å; V365-L441 WeakPolarHBondContact O-CA 3.39Å; V365-L441 WeakPolarHBondContact O-CD1 3.14Å; A367-L441 HydrophobicContact CB-CD1 3.91Å; V373-L441 HydrophobicContact CB-CD1 4.48Å; V373-L441 HydrophobicContact CB-CD2 4.42Å; V373-L441 HydrophobicContact CG1-CD1 4.21Å; V373-L441 HydrophobicContact CG1-CD2 4.36Å; V373-L441 HydrophobicContact CG2-CD1 3.8Å; V373-L441 HydrophobicContact CG2-CD2 4.33Å; F375-L441 HydrophobicContact CE2-CB 4.19Å; F375-L441 HydrophobicContact CZ-CB 3.87Å; I413-L441 HydrophobicContact CD1-CD2 3.59Å; T416-L441 HydrophobicContact CG2-CD2 4.23Å; D420-L441 HydrophobicContact CB-CD2 4.04Å; D420-L441 WeakPolarHBondContact O-CD2 3.08Å; S421-L441 CarbonylContact C-O 3.56Å; S421-L441 WeakPolarHBondContact CA-O 3.44Å; G422-L441 PolarHBondContact N-O 2.9Å; G422-L441 PolarHBondContact O-N 2.95Å; Y424-L441 HydrophobicContact CD2-CB 3.9Å; Y424-L441 HydrophobicContact CE2-CB 3.59Å; Y424-L441 HydrophobicContact CE2-CD2 3.93Å; Y424-L441 HydrophobicContact CE2-CG 4.38Å; L441-V443 HydrophobicContact CD1-CG2 4.26Å; L441-V443 HydrophobicContact CD2-CG2 4.18Å; L441-V443 HydrophobicContact CG-CG2 3.98Å
442	Q	86.3	Confident	88.2	Confident	17 Å²	17	56.2 Å²	56.2	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.2	168.8	-176	58.6	66.9	0	0	109.8	V365 D366 A367 F440 Y473	V365-Q442 PolarHBondContact O-N 3.25Å; D366-Q442 WeakPolarHBondContact CA-O 3.4Å; A367-Q442 PolarHBondContact N-O 3.36Å; F440-Q442 HydrophobicContact CD1-CB 4.11Å; F440-Q442 HydrophobicContact CE1-CB 3.71Å; F440-Q442 HydrophobicContact CE1-CG 4.31Å; F440-Q442 VanDerWaalsContact CE1-OE1 3.26Å; Q442-Y473 HydrophobicContact CB-CE1 4.49Å; Q442-Y473 VanDerWaalsContact CD-CE1 3.43Å; Q442-Y473 HydrophobicContact CG-CD1 3.76Å; Q442-Y473 HydrophobicContact CG-CE1 3.07Å; Q442-Y473 HydrophobicContact CG-CE2 4.12Å; Q442-Y473 WeakPolarHBondContact CG-OH 3.33Å
443	V	86	Confident	89	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.8	173.9	-174.1	0	0	0	0	109.5	A367 I369 T416 G417 L418 D420 S421 L441	A367-V443 CarbonylContact O-C 3.24Å; A367-V443 VanDerWaalsContact O-CA 3.23Å; A367-V443 WeakPolarHBondContact O-CA 3.49Å; I369-V443 HydrophobicContact CB-CG1 4.23Å; I369-V443 HydrophobicContact CG1-CG1 4.47Å; T416-V443 HydrophobicContact CG2-CG2 4.33Å; G417-V443 WeakPolarHBondContact O-CG2 3.28Å; L418-V443 HydrophobicContact CD2-CG1 4.47Å; D420-V443 HydrophobicContact CB-CG2 4.29Å; S421-V443 WeakPolarHBondContact OG-CB 3.34Å; S421-V443 PolarHBondContact OG-N 3.04Å; L441-V443 HydrophobicContact CD1-CG2 4.26Å; L441-V443 HydrophobicContact CD2-CG2 4.18Å; L441-V443 HydrophobicContact CG-CG2 3.98Å
444	R	84.5	Confident	89.3	Confident	34 Å²	34	57.7 Å²	57.7	13%	0.128	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	149.3	-178.8	-45.1	-169.1	-128.9	133.2	18.4	111.7	A367 D368 I369 Y473 L523	A367-R444 PolarHBondContact O-N 3.3Å; D368-R444 VanDerWaalsContact CG-CZ 3.44Å; D368-R444 VanDerWaalsContact CG-NH1 3.32Å; D368-R444 VanDerWaalsContact OD1-CB 3.24Å; D368-R444 WeakPolarHBondContact OD1-CB 3.22Å; D368-R444 WeakPolarHBondContact OD1-CD 3.41Å; D368-R444 IonicContact OD1-CZ 3.8Å; D368-R444 IonicContact OD1-NE 2.86Å; D368-R444 PolarHBondContact OD1-NE 3.3Å; D368-R444 VanDerWaalsContact OD1-NE 3.13Å; D368-R444 IonicContact OD1-NH1 2.74Å; D368-R444 PolarHBondContact OD1-NH1 3.24Å; D368-R444 IonicContact OD1-NH2 3.81Å; D368-R444 PolarHBondContact OD1-NH2 3.35Å; D368-R444 IonicContact OD2-CZ 2.72Å; D368-R444 IonicContact OD2-NH1 2.75Å; D368-R444 PolarHBondContact OD2-NH1 2.97Å; D368-R444 VanDerWaalsContact OD2-NH1 3.09Å; D368-R444 IonicContact OD2-NH2 3.28Å; D368-R444 PolarHBondContact OD2-NH2 3.17Å; I369-R444 PolarHBondContact N-O 2.81Å; R444-Y473 CarbonylContact C-O 3.49Å; R444-Y473 VanDerWaalsContact CA-O 3.31Å; R444-Y473 WeakPolarHBondContact CA-O 3.14Å; R444-Y473 HydrophobicContact CB-CD1 4.14Å; R444-Y473 VanDerWaalsContact CB-O 3.26Å; R444-Y473 WeakPolarHBondContact CB-O 3.12Å; R444-Y473 HydrophobicContact CG-CD1 3.98Å; R444-Y473 HydrophobicContact CG-CE1 4.37Å; R444-L523 HydrophobicContact CB-CD1 3.52Å
445	S	86.5	Confident	89.5	Confident	18 Å²	18	56.3 Å²	56.3	13%	0.126	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.1	-179.5	56.1	0	0	0	0	112.8	G472 Y473 N521 L523	S445-G472 WeakPolarHBondContact OG-CA 3.37Å; S445-Y473 PolarHBondContact N-O 2.73Å; S445-Y473 PolarHBondContact O-N 3.08Å; S445-Y473 VanDerWaalsContact O-O 3.11Å; S445-Y473 PolarHBondContact OG-N 3.26Å; S445-Y473 VanDerWaalsContact OG-N 3.09Å; S445-N521 PolarHBondContact O-ND2 2.91Å; S445-L523 VanDerWaalsContact C-CD1 3.4Å; S445-L523 VanDerWaalsContact N-CD1 3.35Å
446	A	85.8	Confident	89.5	Confident	44 Å²	44	57.3 Å²	57.3	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	157.6	173	0	0	0	0	0	111.8	L523	A446-L523 HydrophobicContact CB-CB 3.9Å
447	P	87.8	Confident	89.2	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	143	-176.1	-23.6	37.3	0	0	0	112.7	T471 P476 A519 N521 G524 I526	P447-T471 CarbonylContact C-O 3.59Å; P447-T471 WeakPolarHBondContact CA-O 3.24Å; P447-P476 HydrophobicContact CB-CB 3.82Å; P447-P476 HydrophobicContact CB-CG 3.53Å; P447-P476 HydrophobicContact CG-CB 3.85Å; P447-P476 HydrophobicContact CG-CG 3.78Å; P447-A519 HydrophobicContact CB-CB 4.38Å; P447-N521 VanDerWaalsContact CD-OD1 3.28Å; P447-N521 WeakPolarHBondContact CD-OD1 3.16Å; P447-N521 HydrophobicContact CG-CB 4.22Å; P447-G524 WeakPolarHBondContact CD-O 3.21Å; P447-G524 VanDerWaalsContact CG-O 3.3Å; P447-G524 WeakPolarHBondContact CG-O 3.03Å; P447-I526 HydrophobicContact CB-CD1 3.94Å; P447-I526 HydrophobicContact CB-CG1 3.99Å
448	Q	89.5	Confident	88.6	Confident	137 Å²	137	55 Å²	55	64%	0.64	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.8	170.1	-64.5	-172.8	-1.3	0	0	110.3	K450 A470 T471 I526	Q448-K450 PolarHBondContact O-N 2.92Å; Q448-A470 CarbonylContact O-C 3.47Å; Q448-A470 WeakPolarHBondContact O-CA 3.34Å; Q448-T471 PolarHBondContact N-O 3.04Å; Q448-T471 PolarHBondContact O-N 3.03Å; Q448-T471 PolarHBondContact O-OG1 3.1Å; Q448-I526 VanDerWaalsContact C-CD1 3.49Å
449	F	90.3	Very high	87.9	Confident	37 Å²	37	53 Å²	53	16%	0.162	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	122.4	177.6	-74.2	-62.1	0	0	0	111.2	R452 C468 E469 A470 A519 I526 Q527 A528	F449-R452 HydrophobicContact CB-CG 3.76Å; F449-R452 HydrophobicContact CD2-CG 4.3Å; F449-R452 HydrophobicContact CG-CG 3.95Å; F449-C468 VanDerWaalsContact CE1-SG 3.52Å; F449-E469 CarbonylContact C-O 3.33Å; F449-E469 WeakPolarHBondContact CA-O 3.16Å; F449-A470 HydrophobicContact CD1-CB 4.35Å; F449-A519 HydrophobicContact CE1-CB 4.13Å; F449-I526 HydrophobicContact CB-CD1 4.4Å; F449-I526 HydrophobicContact CD1-CD1 4.03Å; F449-I526 HydrophobicContact CD2-CB 4.42Å; F449-I526 HydrophobicContact CD2-CD1 3.51Å; F449-I526 HydrophobicContact CD2-CG1 4.04Å; F449-I526 HydrophobicContact CE1-CD1 4.1Å; F449-I526 HydrophobicContact CE1-CG1 4.17Å; F449-I526 HydrophobicContact CE2-CB 3.81Å; F449-I526 HydrophobicContact CE2-CD1 3.58Å; F449-I526 HydrophobicContact CE2-CG1 3.55Å; F449-I526 HydrophobicContact CG-CD1 3.73Å; F449-I526 HydrophobicContact CZ-CB 4.24Å; F449-I526 HydrophobicContact CZ-CD1 3.88Å; F449-I526 HydrophobicContact CZ-CG1 3.62Å; F449-I526 VanDerWaalsContact N-CD1 3.31Å; F449-Q527 VanDerWaalsContact CE2-O 3.31Å; F449-Q527 WeakPolarHBondContact CE2-O 2.95Å; F449-A528 HydrophobicContact CD2-CB 4.22Å; F449-A528 HydrophobicContact CE1-CB 4.23Å; F449-A528 HydrophobicContact CE2-CB 3.72Å; F449-A528 HydrophobicContact CZ-CB 3.72Å
450	K	88	Confident	87.6	Confident	140 Å²	140	58.7 Å²	58.7	61%	0.609	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	-42.6	166.4	-179	-178.8	167	-139.4	0	110.9	Q448 E469 T471	Q448-K450 PolarHBondContact O-N 2.92Å; K450-E469 HydrophobicContact CB-CB 4.12Å; K450-E469 WeakPolarHBondContact CD-OE2 3.44Å; K450-E469 WeakPolarHBondContact CE-OE2 3.36Å; K450-E469 PolarHBondContact N-O 3.32Å; K450-E469 IonicContact NZ-OE2 3.19Å; K450-E469 PolarHBondContact NZ-OE2 3.11Å; K450-T471 HydrophobicContact CB-CG2 4.13Å; K450-T471 HydrophobicContact CD-CG2 4.16Å
451	I	91.7	Very high	87.2	Confident	53 Å²	53	58.2 Å²	58.2	27%	0.272	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.3	173.7	-57.2	-176.7	0	0	0	108.5	E467 C468 E469	I451-E467 HydrophobicContact CG2-CB 4.15Å; I451-C468 WeakPolarHBondContact O-CA 3.05Å; I451-E469 HydrophobicContact CB-CB 3.89Å; I451-E469 HydrophobicContact CB-CG 4.14Å; I451-E469 HydrophobicContact CD1-CB 4.42Å; I451-E469 VanDerWaalsContact CD1-CD 3.46Å; I451-E469 HydrophobicContact CD1-CG 3.96Å; I451-E469 HydrophobicContact CG1-CB 4.05Å; I451-E469 HydrophobicContact CG1-CG 4.14Å; I451-E469 PolarHBondContact N-O 2.76Å; I451-E469 PolarHBondContact O-N 2.58Å
452	R	94.6	Very high	87	Confident	162 Å²	162	60.2 Å²	60.2	61%	0.611	32%	0.317	S	S	*	.			trans	-110.7	145.3	175.5	-64.1	-178	177.4	-152.6	-1	109.4	F449 E467 A528	F449-R452 HydrophobicContact CB-CG 3.76Å; F449-R452 HydrophobicContact CD2-CG 4.3Å; F449-R452 HydrophobicContact CG-CG 3.95Å; R452-E467 CarbonylContact C-O 3.58Å; R452-A528 HydrophobicContact CB-CB 4.36Å; R452-A528 HydrophobicContact CG-CB 4.25Å
453	P	95	Very high	87.1	Confident	13 Å²	13	66.4 Å²	66.4	8%	0.084	34%	0.344	C	S	.	.			trans	-64.6	148.5	177.8	28.5	-36.3	0	0	0	111.9	E467 W480 C517 A528 A530	P453-E467 WeakPolarHBondContact CA-O 3.23Å; P453-E467 VanDerWaalsContact N-O 3.1Å; P453-W480 HydrophobicContact CB-CH2 3.79Å; P453-W480 HydrophobicContact CB-CZ3 4.02Å; P453-W480 HydrophobicContact CG-CH2 4.27Å; P453-W480 HydrophobicContact CG-CZ3 4.3Å; P453-C517 HydrophobicContact CG-CB 4.42Å; P453-A528 HydrophobicContact CG-CB 4.32Å; P453-A530 HydrophobicContact CB-CB 3.7Å; P453-A530 HydrophobicContact CG-CB 4.16Å
454	Q	93.3	Very high	87.3	Confident	157 Å²	157	66.8 Å²	66.8	73%	0.734	35%	0.346	S	S	*	.			trans	-117.1	151.5	-179.8	-61	-171.1	12.8	0	0	111.8	L466 A530	Q454-L466 VanDerWaalsContact O-CD2 3.28Å; Q454-L466 WeakPolarHBondContact O-CD2 3.47Å; Q454-A530 VanDerWaalsContact C-CB 3.48Å; Q454-A530 WeakPolarHBondContact O-CB 3.5Å
455	N	94.3	Very high	87.7	Confident	94 Å²	94	67.6 Å²	67.6	50%	0.503	36%	0.357	S	S	.	.			trans	-64.4	137.6	177.3	-68.8	-16.6	0	0	0	111.7	N531 Y533	N455-N531 CarbonylContact C-O 3.41Å; N455-N531 VanDerWaalsContact CA-O 3.29Å; N455-N531 WeakPolarHBondContact CA-O 3.17Å; N455-N531 PolarHBondContact OD1-N 3.01Å; N455-Y533 HydrophobicContact CB-CE2 4.08Å
456	V	90.6	Very high	88.1	Confident	44 Å²	44	66.9 Å²	66.9	27%	0.267	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.9	-179.3	179.7	0	0	0	0	110.9	V464 L466 N531 V532 Y533	V456-V464 HydrophobicContact CB-CG1 4.26Å; V456-V464 HydrophobicContact CG1-CG1 4.03Å; V456-V464 HydrophobicContact CG1-CG2 4.14Å; V456-V464 HydrophobicContact CG2-CG1 4.45Å; V456-L466 HydrophobicContact CG2-CD2 3.83Å; V456-N531 PolarHBondContact N-O 3.35Å; V456-V532 CarbonylContact O-C 3.52Å; V456-V532 WeakPolarHBondContact O-CA 3.3Å; V456-Y533 PolarHBondContact O-N 3Å
457	A	85.5	Confident	88.5	Confident	56 Å²	56	69.7 Å²	69.7	46%	0.463	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.1	169.6	0	0	0	0	0	109.8	Y533 R535	A457-Y533 CarbonylContact C-O 3.56Å; A457-Y533 WeakPolarHBondContact CA-O 3.42Å; A457-R535 HydrophobicContact CB-CG 4.31Å
458	A	79.9	Confident	88.7	Confident	4 Å²	4	69.3 Å²	69.3	3%	0.033	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	154.3	-172.1	0	0	0	0	0	112.4	V464 V507 V532 Y533 L534 R535	A458-V464 HydrophobicContact CB-CG2 3.35Å; A458-V507 HydrophobicContact CB-CB 4.45Å; A458-V507 HydrophobicContact CB-CG1 4.26Å; A458-V507 HydrophobicContact CB-CG2 4Å; A458-V532 HydrophobicContact CB-CG1 4.46Å; A458-Y533 PolarHBondContact N-O 2.66Å; A458-L534 CarbonylContact O-C 3.48Å; A458-L534 WeakPolarHBondContact O-CA 3.35Å; A458-R535 PolarHBondContact O-N 3.45Å
459	V	75.4	Confident	88.7	Confident	39 Å²	39	65.4 Å²	65.4	24%	0.236	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.1	169.1	179.2	0	0	0	0	108.1	G461 S462 R535 N537	V459-G461 PolarHBondContact O-N 3.35Å; V459-S462 PolarHBondContact N-OG 3.16Å; V459-S462 VanDerWaalsContact N-OG 3.17Å; V459-S462 VanDerWaalsContact O-CB 3.27Å; V459-S462 WeakPolarHBondContact O-CB 3.4Å; V459-S462 PolarHBondContact O-N 3.35Å; V459-S462 PolarHBondContact O-OG 2.96Å; V459-R535 HydrophobicContact CG2-CB 4.16Å; V459-N537 HydrophobicContact CG1-CB 3.96Å
460	E	80.6	Confident	88.5	Confident	123 Å²	123	64.2 Å²	64.2	58%	0.575	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	135	174.5	-169.4	176.2	-177.1	0	0	110.3	S462 V507 L534	E460-S462 VanDerWaalsContact C-N 3.28Å; E460-S462 PolarHBondContact O-N 3.14Å; E460-V507 CarbonylContact C-O 3.53Å; E460-V507 WeakPolarHBondContact CA-O 3.37Å; E460-V507 WeakPolarHBondContact CG-O 3.5Å; E460-L534 HydrophobicContact CB-CD2 3.98Å
461	G	77.2	Confident	88.4	Confident	42 Å²	42	60.7 Å²	60.7	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-16.1	-175.5	0	0	0	0	0	115.8	V459 S506 V507	V459-G461 PolarHBondContact O-N 3.35Å; G461-S506 WeakPolarHBondContact CA-OG 3.43Å; G461-S506 PolarHBondContact O-OG 2.86Å; G461-V507 PolarHBondContact N-O 3.19Å
462	S	83.2	Confident	87.9	Confident	42 Å²	42	58.9 Å²	58.9	29%	0.294	32%	0.319	S	S	.	.			trans	-71.7	159.2	178.8	69	0	0	0	0	112.7	V459 E460 S506 V507	V459-S462 PolarHBondContact N-OG 3.16Å; V459-S462 VanDerWaalsContact N-OG 3.17Å; V459-S462 VanDerWaalsContact O-CB 3.27Å; V459-S462 WeakPolarHBondContact O-CB 3.4Å; V459-S462 PolarHBondContact O-N 3.35Å; V459-S462 PolarHBondContact O-OG 2.96Å; E460-S462 VanDerWaalsContact C-N 3.28Å; E460-S462 PolarHBondContact O-N 3.14Å; S462-S506 WeakPolarHBondContact O-CA 3.43Å; S462-V507 WeakPolarHBondContact O-CG2 3.49Å; S462-V507 PolarHBondContact O-N 2.74Å
463	K	88.5	Confident	86.9	Confident	147 Å²	147	53.5 Å²	53.5	64%	0.639	30%	0.299	S	S	*	.			trans	-87.6	130.3	172.9	-178.5	176.7	-177.3	-176.5	0	110.1	T503 I504	K463-T503 HydrophobicContact CD-CG2 4.35Å; K463-T503 HydrophobicContact CG-CG2 4.13Å; K463-I504 CarbonylContact C-O 3.58Å; K463-I504 VanDerWaalsContact CA-O 3.25Å; K463-I504 WeakPolarHBondContact CA-O 3.38Å
464	V	91.4	Very high	86.2	Confident	8 Å²	8	54 Å²	54	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139	175	170.6	0	0	0	0	109.5	V456 A458 T503 I504 V507 V532	V456-V464 HydrophobicContact CB-CG1 4.26Å; V456-V464 HydrophobicContact CG1-CG1 4.03Å; V456-V464 HydrophobicContact CG1-CG2 4.14Å; V456-V464 HydrophobicContact CG2-CG1 4.45Å; A458-V464 HydrophobicContact CB-CG2 3.35Å; V464-T503 CarbonylContact O-C 3.48Å; V464-T503 WeakPolarHBondContact O-CA 3.12Å; V464-I504 HydrophobicContact CB-CB 4.38Å; V464-I504 PolarHBondContact N-O 2.84Å; V464-I504 PolarHBondContact O-N 3.04Å; V464-V507 HydrophobicContact CB-CG2 4.08Å; V464-V507 HydrophobicContact CG2-CG2 3.51Å; V464-V532 HydrophobicContact CG1-CG2 4.4Å
465	S	92.8	Very high	85.3	Confident	51 Å²	51	51 Å²	51	36%	0.357	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.7	170.9	-63.9	0	0	0	0	110.3	L502 T503	S465-L502 CarbonylContact C-O 3.44Å; S465-L502 VanDerWaalsContact CA-O 3.23Å; S465-L502 WeakPolarHBondContact CA-O 3.41Å; S465-T503 PolarHBondContact OG-OG1 2.72Å; S465-T503 VanDerWaalsContact OG-OG1 3.07Å
466	L	94.7	Very high	84.5	Confident	3 Å²	3	47 Å²	47	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.4	174.2	-62.3	176.6	0	0	0	108.7	Q454 V456 W480 V501 L502 Y515 A530 V532	Q454-L466 VanDerWaalsContact O-CD2 3.28Å; Q454-L466 WeakPolarHBondContact O-CD2 3.47Å; V456-L466 HydrophobicContact CG2-CD2 3.83Å; L466-W480 HydrophobicContact CB-CH2 3.58Å; L466-W480 HydrophobicContact CB-CZ2 4.45Å; L466-W480 HydrophobicContact CB-CZ3 3.88Å; L466-W480 HydrophobicContact CD1-CZ3 4.12Å; L466-W480 WeakPolarHBondContact O-CZ2 3.36Å; L466-V501 WeakPolarHBondContact O-CA 3.39Å; L466-L502 HydrophobicContact CB-CB 4.37Å; L466-L502 HydrophobicContact CD1-CD2 4.25Å; L466-L502 PolarHBondContact N-O 2.68Å; L466-L502 PolarHBondContact O-N 3.28Å; L466-Y515 HydrophobicContact CD1-CD1 4.33Å; L466-Y515 HydrophobicContact CD1-CD2 4.03Å; L466-Y515 HydrophobicContact CD1-CG 3.73Å; L466-A530 HydrophobicContact CD2-CB 4.46Å; L466-V532 HydrophobicContact CD1-CG2 4.04Å
467	E	93.6	Very high	84	Confident	104 Å²	104	46.4 Å²	46.4	49%	0.486	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.6	-176.5	-62.1	176.9	-162.8	0	0	111.4	I451 R452 P453 T500 V501	I451-E467 HydrophobicContact CG2-CB 4.15Å; R452-E467 CarbonylContact C-O 3.58Å; P453-E467 WeakPolarHBondContact CA-O 3.23Å; P453-E467 VanDerWaalsContact N-O 3.1Å; E467-T500 CarbonylContact C-O 3.52Å; E467-T500 WeakPolarHBondContact CA-O 3.35Å; E467-V501 HydrophobicContact CG-CG2 4.2Å
468	C	92.3	Very high	84.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.			trans	-148.5	117.8	175.9	-173.1	0	0	0	0	109.3	F449 I451 I478 W480 T500 C517	F449-C468 VanDerWaalsContact CE1-SG 3.52Å; I451-C468 WeakPolarHBondContact O-CA 3.05Å; C468-I478 VanDerWaalsContact O-CD1 3.23Å; C468-I478 WeakPolarHBondContact O-CD1 3.44Å; C468-W480 HydrophobicContact CB-CH2 3.83Å; C468-W480 HydrophobicContact CB-CZ2 3.4Å; C468-W480 VanDerWaalsContact CB-CZ2 3.4Å; C468-T500 PolarHBondContact N-O 3.1Å; C468-T500 WeakPolarHBondContact O-CA 3.32Å; C468-T500 VanDerWaalsContact O-CB 3.32Å; C468-T500 WeakPolarHBondContact O-CB 3.46Å; C468-T500 WeakPolarHBondContact O-CG2 3.37Å; C468-C517 HydrophobicContact CB-CB 3.61Å; C468-C517 WeakPolarHBondContact CB-SG 3.35Å; C468-C517 WeakPolarHBondContact SG-CB 3.28Å; C468-C517 CovalentContact SG-SG 2.02Å; C468-C517 PolarHBondContact SG-SG 2.79Å
469	E	90.2	Very high	84.5	Confident	55 Å²	55	48.5 Å²	48.5	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.1	176.9	-66.7	-175.2	-173	0	0	109.3	F449 K450 I451 T500	F449-E469 CarbonylContact C-O 3.33Å; F449-E469 WeakPolarHBondContact CA-O 3.16Å; K450-E469 HydrophobicContact CB-CB 4.12Å; K450-E469 WeakPolarHBondContact CD-OE2 3.44Å; K450-E469 WeakPolarHBondContact CE-OE2 3.36Å; K450-E469 PolarHBondContact N-O 3.32Å; K450-E469 IonicContact NZ-OE2 3.19Å; K450-E469 PolarHBondContact NZ-OE2 3.11Å; I451-E469 HydrophobicContact CB-CB 3.89Å; I451-E469 HydrophobicContact CB-CG 4.14Å; I451-E469 HydrophobicContact CD1-CB 4.42Å; I451-E469 VanDerWaalsContact CD1-CD 3.46Å; I451-E469 HydrophobicContact CD1-CG 3.96Å; I451-E469 HydrophobicContact CG1-CB 4.05Å; I451-E469 HydrophobicContact CG1-CG 4.14Å; I451-E469 PolarHBondContact N-O 2.76Å; I451-E469 PolarHBondContact O-N 2.58Å; E469-T500 HydrophobicContact CG-CG2 3.99Å
470	A	86.6	Confident	85.2	Confident	11 Å²	11	47.2 Å²	47.2	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.6	173.5	0	0	0	0	0	111.1	Q448 F449 P476 A519	Q448-A470 CarbonylContact O-C 3.47Å; Q448-A470 WeakPolarHBondContact O-CA 3.34Å; F449-A470 HydrophobicContact CD1-CB 4.35Å; A470-P476 HydrophobicContact CB-CB 4.23Å; A470-P476 HydrophobicContact CB-CG 4.09Å; A470-A519 HydrophobicContact CB-CB 3.3Å
471	T	85.1	Confident	85.8	Confident	67 Å²	67	42.2 Å²	42.2	41%	0.411	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	159.1	170.3	54.5	0	0	0	0	109.8	P447 Q448 K450 P476	P447-T471 CarbonylContact C-O 3.59Å; P447-T471 WeakPolarHBondContact CA-O 3.24Å; Q448-T471 PolarHBondContact N-O 3.04Å; Q448-T471 PolarHBondContact O-N 3.03Å; Q448-T471 PolarHBondContact O-OG1 3.1Å; K450-T471 HydrophobicContact CB-CG2 4.13Å; K450-T471 HydrophobicContact CD-CG2 4.16Å; T471-P476 WeakPolarHBondContact O-CG 3.23Å
472	G	81.1	Confident	86.5	Confident	15 Å²	15	42.6 Å²	42.6	16%	0.155	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.1	159.7	-179.5	0	0	0	0	0	109.2	S445 P474 L475	S445-G472 WeakPolarHBondContact OG-CA 3.37Å; G472-P474 CarbonylContact C-O 3.26Å; G472-P474 CarbonylContact O-C 3.41Å; G472-L475 WeakPolarHBondContact O-CA 3.17Å; G472-L475 PolarHBondContact O-N 2.76Å
473	Y	74.4	Confident	86.7	Confident	49 Å²	49	45 Å²	45	19%	0.192	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.7	172.2	-172	-82.3	0	0	0	110.2	Q442 R444 S445 F951	Q442-Y473 HydrophobicContact CB-CE1 4.49Å; Q442-Y473 VanDerWaalsContact CD-CE1 3.43Å; Q442-Y473 HydrophobicContact CG-CD1 3.76Å; Q442-Y473 HydrophobicContact CG-CE1 3.07Å; Q442-Y473 HydrophobicContact CG-CE2 4.12Å; Q442-Y473 WeakPolarHBondContact CG-OH 3.33Å; R444-Y473 CarbonylContact C-O 3.49Å; R444-Y473 VanDerWaalsContact CA-O 3.31Å; R444-Y473 WeakPolarHBondContact CA-O 3.14Å; R444-Y473 HydrophobicContact CB-CD1 4.14Å; R444-Y473 VanDerWaalsContact CB-O 3.26Å; R444-Y473 WeakPolarHBondContact CB-O 3.12Å; R444-Y473 HydrophobicContact CG-CD1 3.98Å; R444-Y473 HydrophobicContact CG-CE1 4.37Å; S445-Y473 PolarHBondContact N-O 2.73Å; S445-Y473 PolarHBondContact O-N 3.08Å; S445-Y473 VanDerWaalsContact O-O 3.11Å; S445-Y473 PolarHBondContact OG-N 3.26Å; S445-Y473 VanDerWaalsContact OG-N 3.09Å; Y473-F951 WeakPolarHBondContact CD2-O 3.42Å; Y473-F951 HydrophobicContact CE2-CB 4.05Å; Y473-F951 WeakPolarHBondContact CE2-O 3.07Å
474	P	78.9	Confident	86.5	Confident	24 Å²	24	41 Å²	41	16%	0.156	24%	0.24	C	C	.	.	S	Bend	cis	-56.5	154.4	-5.3	-22.4	34.1	0	0	0	112.5	G472 N521 R522 F951	G472-P474 CarbonylContact C-O 3.26Å; G472-P474 CarbonylContact O-C 3.41Å; P474-N521 VanDerWaalsContact O-CB 3.3Å; P474-N521 WeakPolarHBondContact O-CB 3.12Å; P474-N521 PolarHBondContact O-ND2 2.98Å; P474-R522 HydrophobicContact CG-CG 4.12Å; P474-F951 HydrophobicContact CB-CD1 4.01Å; P474-F951 HydrophobicContact CB-CE1 4.18Å
475	L	74.3	Confident	86.1	Confident	93 Å²	93	50.2 Å²	50.2	49%	0.487	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-53.7	131.3	-178.5	-166.9	72	0	0	0	110.1	G472 F951	G472-L475 WeakPolarHBondContact O-CA 3.17Å; G472-L475 PolarHBondContact O-N 2.76Å; L475-F951 HydrophobicContact CB-CD1 4.5Å
476	P	77.1	Confident	85.4	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.058	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.5	135.3	-177.4	-18.6	31.3	0	0	0	112.5	P447 A470 T471 A519 A520	P447-P476 HydrophobicContact CB-CB 3.82Å; P447-P476 HydrophobicContact CB-CG 3.53Å; P447-P476 HydrophobicContact CG-CB 3.85Å; P447-P476 HydrophobicContact CG-CG 3.78Å; A470-P476 HydrophobicContact CB-CB 4.23Å; A470-P476 HydrophobicContact CB-CG 4.09Å; T471-P476 WeakPolarHBondContact O-CG 3.23Å; P476-A519 HydrophobicContact CB-CB 3.97Å; P476-A520 CarbonylContact C-O 3.57Å; P476-A520 WeakPolarHBondContact CA-O 3.46Å
477	S	81.9	Confident	84.9	Confident	33 Å²	33	54.2 Å²	54.2	23%	0.231	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.5	167	48.1	0	0	0	0	110.7	A519 A520 E979	S477-A519 CarbonylContact O-C 3.52Å; S477-A519 VanDerWaalsContact O-CA 3.29Å; S477-A519 WeakPolarHBondContact O-CA 3.38Å; S477-A520 PolarHBondContact N-O 3.29Å; S477-A520 PolarHBondContact O-N 2.86Å; S477-A520 PolarHBondContact OG-O 3.42Å; S477-E979 WeakPolarHBondContact CB-OE2 3.07Å; S477-E979 PolarHBondContact OG-OE2 3.37Å
478	I	86.3	Confident	84.1	Confident	22 Å²	22	53.2 Å²	53.2	11%	0.113	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126	179.2	-57.5	-176.7	0	0	0	110.4	C468 G499 T500 C517 F518 A519	C468-I478 VanDerWaalsContact O-CD1 3.23Å; C468-I478 WeakPolarHBondContact O-CD1 3.44Å; I478-G499 WeakPolarHBondContact CG2-O 3.48Å; I478-T500 HydrophobicContact CD1-CG2 3.7Å; I478-C517 WeakPolarHBondContact CG2-SG 3.26Å; I478-F518 CarbonylContact C-O 3.29Å; I478-F518 VanDerWaalsContact CA-O 3.23Å; I478-F518 WeakPolarHBondContact CA-O 3.19Å; I478-A519 HydrophobicContact CG1-CB 4.35Å
479	V	88.3	Confident	83.6	Confident	82 Å²	82	58.2 Å²	58.2	50%	0.497	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.8	179.1	-178.5	0	0	0	0	110.3	C517 F518	V479-C517 CarbonylContact O-C 3.57Å; V479-F518 PolarHBondContact N-O 3.44Å; V479-F518 PolarHBondContact O-N 2.93Å
480	W	91.3	Very high	83.1	Confident	11 Å²	11	58.5 Å²	58.5	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.3	177.1	-66.9	83.2	0	0	0	112.3	P453 L466 C468 L487 V495 G499 L502 T516 C517	P453-W480 HydrophobicContact CB-CH2 3.79Å; P453-W480 HydrophobicContact CB-CZ3 4.02Å; P453-W480 HydrophobicContact CG-CH2 4.27Å; P453-W480 HydrophobicContact CG-CZ3 4.3Å; L466-W480 HydrophobicContact CB-CH2 3.58Å; L466-W480 HydrophobicContact CB-CZ2 4.45Å; L466-W480 HydrophobicContact CB-CZ3 3.88Å; L466-W480 HydrophobicContact CD1-CZ3 4.12Å; L466-W480 WeakPolarHBondContact O-CZ2 3.36Å; C468-W480 HydrophobicContact CB-CH2 3.83Å; C468-W480 HydrophobicContact CB-CZ2 3.4Å; C468-W480 VanDerWaalsContact CB-CZ2 3.4Å; W480-L487 HydrophobicContact CB-CD2 3.98Å; W480-V495 HydrophobicContact CB-CG2 4.5Å; W480-V495 HydrophobicContact CG-CG2 4.33Å; W480-G499 PolarHBondContact NE1-O 2.74Å; W480-L502 HydrophobicContact CB-CD2 4.4Å; W480-L502 HydrophobicContact CD2-CB 3.86Å; W480-L502 HydrophobicContact CD2-CD2 3.98Å; W480-L502 HydrophobicContact CE3-CB 4.23Å; W480-L502 HydrophobicContact CE3-CD2 3.77Å; W480-L502 HydrophobicContact CG-CB 4.23Å; W480-L502 HydrophobicContact CG-CD2 4.27Å; W480-L502 HydrophobicContact CH2-CB 4.34Å; W480-L502 HydrophobicContact CZ2-CB 4.03Å; W480-L502 HydrophobicContact CZ3-CB 4.46Å; W480-L502 HydrophobicContact CZ3-CD2 4.29Å; W480-T516 CarbonylContact C-O 3.22Å; W480-T516 WeakPolarHBondContact CA-O 3.32Å; W480-C517 HydrophobicContact CD2-CB 4.15Å; W480-C517 HydrophobicContact CE3-CB 4.05Å; W480-C517 HydrophobicContact CH2-CB 4.14Å; W480-C517 HydrophobicContact CZ2-CB 4.18Å; W480-C517 HydrophobicContact CZ3-CB 4.05Å
481	T	91.7	Very high	82.6	Confident	18 Å²	18	67.6 Å²	67.6	11%	0.11	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.6	169.5	61.4	0	0	0	0	109.7	R485 Y515 T516 F518	T481-R485 CarbonylContact C-O 3.39Å; T481-R485 VanDerWaalsContact CA-O 3.27Å; T481-R485 WeakPolarHBondContact CA-O 3.49Å; T481-R485 WeakPolarHBondContact CB-O 3.41Å; T481-Y515 CarbonylContact O-C 3.56Å; T481-Y515 VanDerWaalsContact O-CA 3.28Å; T481-Y515 WeakPolarHBondContact O-CA 3.23Å; T481-T516 PolarHBondContact N-O 2.71Å; T481-T516 PolarHBondContact O-N 3.32Å; T481-T516 WeakPolarHBondContact OG1-CB 3.13Å; T481-T516 PolarHBondContact OG1-O 2.71Å; T481-F518 HydrophobicContact CG2-CD2 4.15Å; T481-F518 HydrophobicContact CG2-CE2 3.67Å; T481-F518 WeakPolarHBondContact OG1-CE2 3.14Å
482	R	92.4	Very high	82.8	Confident	50 Å²	50	68.1 Å²	68.1	19%	0.189	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.4	173.6	-176.4	176.3	76.2	175.3	12	109.2	G484 R485 L487 D510 D511 E514 Y515	R482-G484 PolarHBondContact O-N 3.42Å; R482-R485 PolarHBondContact N-O 2.54Å; R482-R485 PolarHBondContact O-N 2.74Å; R482-L487 HydrophobicContact CB-CD1 3.72Å; R482-D510 PolarHBondContact NH1-O 3.22Å; R482-D510 PolarHBondContact NH2-O 3.13Å; R482-D511 IonicContact NH1-OD1 3.88Å; R482-D511 PolarHBondContact NH1-OD1 2.96Å; R482-E514 CarbonylContact C-O 3.48Å; R482-E514 WeakPolarHBondContact CA-O 3.44Å; R482-Y515 HydrophobicContact CB-CD1 4.18Å; R482-Y515 HydrophobicContact CB-CE1 4.03Å; R482-Y515 VanDerWaalsContact CD-CZ 3.43Å; R482-Y515 WeakPolarHBondContact CD-OH 3.05Å; R482-Y515 HydrophobicContact CG-CD1 4.32Å; R482-Y515 HydrophobicContact CG-CE1 3.92Å; R482-Y515 HydrophobicContact CG-CE2 4.22Å
483	N	87.8	Confident	83.1	Confident	92 Å²	92	67.6 Å²	67.6	49%	0.492	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.3	-176.9	-58.1	-37.2	0	0	0	112	R485 G513 E514	N483-R485 PolarHBondContact O-N 2.83Å; N483-G513 WeakPolarHBondContact OD1-CA 3.33Å; N483-E514 PolarHBondContact N-O 2.93Å; N483-E514 PolarHBondContact OD1-N 2.8Å
484	G	83.1	Confident	83.5	Confident	63 Å²	63	67.3 Å²	67.3	65%	0.649	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	2.5	-178.6	0	0	0	0	0	115.8	R482	R482-G484 PolarHBondContact O-N 3.42Å
485	R	83.2	Confident	83.6	Confident	202 Å²	202	68 Å²	68	76%	0.762	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	151.6	177.6	-63.9	-177.2	175.7	-174.7	-1.6	110.8	T481 R482 N483 L487	T481-R485 CarbonylContact C-O 3.39Å; T481-R485 VanDerWaalsContact CA-O 3.27Å; T481-R485 WeakPolarHBondContact CA-O 3.49Å; T481-R485 WeakPolarHBondContact CB-O 3.41Å; R482-R485 PolarHBondContact N-O 2.54Å; R482-R485 PolarHBondContact O-N 2.74Å; N483-R485 PolarHBondContact O-N 2.83Å; R485-L487 PolarHBondContact O-N 3.46Å
486	T	78.5	Confident	83.7	Confident	127 Å²	127	66.1 Å²	66.1	78%	0.779	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-50.7	128.4	173.6	-48.4	0	0	0	0	110.2	P488	T486-P488 VanDerWaalsContact O-CD 3.29Å; T486-P488 WeakPolarHBondContact O-CD 3.32Å
487	L	83.9	Confident	83.2	Confident	11 Å²	11	70.5 Å²	70.5	6%	0.058	37%	0.373	C	S	.	.			trans	-72.1	116.6	-179.7	-178	73	0	0	0	110	W480 R482 R485 L489 I493 V495 L502 Y515	W480-L487 HydrophobicContact CB-CD2 3.98Å; R482-L487 HydrophobicContact CB-CD1 3.72Å; R485-L487 PolarHBondContact O-N 3.46Å; L487-L489 HydrophobicContact CD2-CD2 3.99Å; L487-L489 HydrophobicContact CG-CD2 4.35Å; L487-L489 PolarHBondContact O-N 3.32Å; L487-L489 VanDerWaalsContact O-N 3.14Å; L487-I493 HydrophobicContact CD1-CG2 4.14Å; L487-I493 HydrophobicContact CD2-CG2 3.99Å; L487-I493 HydrophobicContact CG-CG2 4.18Å; L487-V495 HydrophobicContact CD2-CG2 4.22Å; L487-L502 HydrophobicContact CD2-CD1 3.44Å; L487-L502 VanDerWaalsContact CD2-CD1 3.44Å; L487-L502 HydrophobicContact CD2-CD2 3.79Å; L487-L502 HydrophobicContact CD2-CG 4.28Å; L487-Y515 HydrophobicContact CD1-CD1 4.22Å; L487-Y515 HydrophobicContact CD1-CE1 3.71Å
488	P	76.8	Confident	82.2	Confident	83 Å²	83	72.2 Å²	72.2	54%	0.539	39%	0.385	S	S	.	.			trans	-74.6	105.1	177.7	29.1	-31.3	0	0	0	110.1	T486	T486-P488 VanDerWaalsContact O-CD 3.29Å; T486-P488 WeakPolarHBondContact O-CD 3.32Å
489	L	82.1	Confident	81.9	Confident	106 Å²	106	71.5 Å²	71.5	56%	0.555	38%	0.383	S	S	*	.			trans	-70	146	178	-57.7	179.5	0	0	0	111.3	L487 I493 V495	L487-L489 HydrophobicContact CD2-CD2 3.99Å; L487-L489 HydrophobicContact CG-CD2 4.35Å; L487-L489 PolarHBondContact O-N 3.32Å; L487-L489 VanDerWaalsContact O-N 3.14Å; L489-I493 CarbonylContact C-O 3.59Å; L489-I493 WeakPolarHBondContact CA-O 3.12Å; L489-V495 HydrophobicContact CD2-CB 4.44Å; L489-V495 HydrophobicContact CD2-CG2 3.75Å
490	S	79.3	Confident	81.7	Confident	60 Å²	60	68.7 Å²	68.7	42%	0.42	37%	0.366	S	S	.	.			trans	-156.2	176.5	179.6	64.2	0	0	0	0	110.3	R492 I493	S490-R492 PolarHBondContact O-N 3.38Å; S490-R492 VanDerWaalsContact O-N 3.09Å; S490-R492 PolarHBondContact OG-N 3.04Å; S490-I493 PolarHBondContact N-O 2.88Å; S490-I493 CarbonylContact O-C 3.54Å; S490-I493 VanDerWaalsContact O-C 3.29Å; S490-I493 PolarHBondContact O-N 3Å; S490-I493 PolarHBondContact OG-N 3.5Å; S490-I493 VanDerWaalsContact OG-N 3.09Å
491	R	76.1	Confident	81.6	Confident	202 Å²	202	70 Å²	70	76%	0.762	38%	0.375	S	S	*	.	S	Bend	trans	-57.9	-22.4	170.7	-67.9	-174.7	-179	177.4	-1.8	113	E694	R491-E694 IonicContact NH2-OE1 3.15Å; R491-E694 PolarHBondContact NH2-OE1 2.74Å
492	R	89.8	Confident	81.6	Confident	78 Å²	78	69.1 Å²	69.1	29%	0.294	37%	0.37	S	S	.	.	S	Bend	trans	-92.4	-35	-179.4	-164.7	-178	65.5	69.4	-3.6	113	S490 I504 S505 S506 D511	S490-R492 PolarHBondContact O-N 3.38Å; S490-R492 VanDerWaalsContact O-N 3.09Å; S490-R492 PolarHBondContact OG-N 3.04Å; R492-I504 VanDerWaalsContact NH1-CG2 3.34Å; R492-I504 CarbonylContact O-C 3.46Å; R492-I504 WeakPolarHBondContact O-CA 3.35Å; R492-S505 PolarHBondContact O-N 2.59Å; R492-S506 VanDerWaalsContact CD-O 3.24Å; R492-S506 WeakPolarHBondContact CD-O 3.38Å; R492-S506 PolarHBondContact NH1-O 3Å; R492-D511 IonicContact CZ-OD1 3.94Å; R492-D511 IonicContact CZ-OD2 3.01Å; R492-D511 IonicContact NH1-OD1 2.75Å; R492-D511 IonicContact NH1-OD2 3.53Å; R492-D511 PolarHBondContact NH1-OD2 3.02Å; R492-D511 VanDerWaalsContact NH2-CG 3.28Å; R492-D511 IonicContact NH2-OD1 3.82Å; R492-D511 PolarHBondContact NH2-OD1 3.28Å; R492-D511 IonicContact NH2-OD2 3.58Å; R492-D511 PolarHBondContact NH2-OD2 3.2Å
493	I	88	Confident	81.6	Confident	4 Å²	4	68 Å²	68	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	105.6	177.5	-56.3	-179.2	0	0	0	108.1	L487 L489 S490 L502 T503 I504 D511	L487-I493 HydrophobicContact CD1-CG2 4.14Å; L487-I493 HydrophobicContact CD2-CG2 3.99Å; L487-I493 HydrophobicContact CG-CG2 4.18Å; L489-I493 CarbonylContact C-O 3.59Å; L489-I493 WeakPolarHBondContact CA-O 3.12Å; S490-I493 PolarHBondContact N-O 2.88Å; S490-I493 CarbonylContact O-C 3.54Å; S490-I493 VanDerWaalsContact O-C 3.29Å; S490-I493 PolarHBondContact O-N 3Å; S490-I493 PolarHBondContact OG-N 3.5Å; S490-I493 VanDerWaalsContact OG-N 3.09Å; I493-L502 HydrophobicContact CG2-CD1 3.7Å; I493-T503 CarbonylContact C-O 3.54Å; I493-T503 WeakPolarHBondContact CA-O 3.35Å; I493-I504 HydrophobicContact CG1-CG1 4.33Å; I493-I504 HydrophobicContact CG1-CG2 4.26Å; I493-I504 HydrophobicContact CG2-CG1 4.46Å; I493-D511 WeakPolarHBondContact CD1-OD1 3.41Å
494	A	82.9	Confident	81.9	Confident	43 Å²	43	63.7 Å²	63.7	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.5	-177.2	0	0	0	0	0	110.2	L502 T503	A494-L502 WeakPolarHBondContact O-CD1 3.01Å; A494-T503 PolarHBondContact N-O 2.97Å; A494-T503 PolarHBondContact O-N 2.85Å
495	V	81.6	Confident	82.1	Confident	38 Å²	38	63.4 Å²	63.4	23%	0.23	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.2	165.8	-175.6	0	0	0	0	106.3	W480 L487 L489 G499 V501 L502	W480-V495 HydrophobicContact CB-CG2 4.5Å; W480-V495 HydrophobicContact CG-CG2 4.33Å; L487-V495 HydrophobicContact CD2-CG2 4.22Å; L489-V495 HydrophobicContact CD2-CB 4.44Å; L489-V495 HydrophobicContact CD2-CG2 3.75Å; V495-G499 VanDerWaalsContact CG1-CA 3.48Å; V495-V501 WeakPolarHBondContact CA-O 3.18Å; V495-L502 HydrophobicContact CG2-CB 4.23Å; V495-L502 HydrophobicContact CG2-CD1 3.77Å
496	D	75.5	Confident	82.3	Confident	55 Å²	55	56.4 Å²	56.4	29%	0.294	32%	0.315	S	S	.	.			trans	-60.5	168.4	172.4	64.6	-3.5	0	0	0	112.2	S498 G499 T500 V501	D496-S498 VanDerWaalsContact C-N 3.31Å; D496-S498 PolarHBondContact O-N 3.23Å; D496-S498 PolarHBondContact OD2-OG 2.77Å; D496-G499 PolarHBondContact O-N 3.5Å; D496-G499 WeakPolarHBondContact OD1-CA 3.41Å; D496-G499 PolarHBondContact OD1-N 3.3Å; D496-G499 VanDerWaalsContact OD1-N 3.11Å; D496-T500 PolarHBondContact OD1-N 3.16Å; D496-T500 PolarHBondContact OD2-OG1 2.57Å; D496-V501 HydrophobicContact CB-CB 4.47Å; D496-V501 PolarHBondContact N-O 2.83Å; D496-V501 PolarHBondContact OD1-N 2.89Å; D496-V501 VanDerWaalsContact OD2-CB 3.32Å; D496-V501 WeakPolarHBondContact OD2-CB 3.28Å; D496-V501 WeakPolarHBondContact OD2-CG2 3.33Å; D496-V501 PolarHBondContact OD2-N 2.82Å
497	F	66.4	Low	82.7	Confident	101 Å²	101	50.4 Å²	50.4	44%	0.443	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.5	-174.2	-174.9	-89.2	0	0	0	113.2	G499 L945	F497-G499 PolarHBondContact O-N 3.08Å; F497-L945 HydrophobicContact CB-CD1 3.87Å; F497-L945 HydrophobicContact CD1-CB 4.14Å; F497-L945 HydrophobicContact CD1-CD1 3.3Å; F497-L945 HydrophobicContact CD1-CG 4.25Å; F497-L945 HydrophobicContact CD2-CD1 4.12Å; F497-L945 HydrophobicContact CE1-CB 3.64Å; F497-L945 HydrophobicContact CE1-CD1 3.74Å; F497-L945 HydrophobicContact CE1-CG 4.25Å; F497-L945 HydrophobicContact CE2-CD1 4.5Å; F497-L945 HydrophobicContact CG-CD1 3.49Å; F497-L945 VanDerWaalsContact CG-CD1 3.49Å; F497-L945 HydrophobicContact CZ-CB 3.92Å; F497-L945 HydrophobicContact CZ-CD1 4.31Å
498	S	61.9	Low	82.8	Confident	68 Å²	68	51.4 Å²	51.4	48%	0.476	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10	175.6	40.7	0	0	0	0	113.3	D496 T500	D496-S498 VanDerWaalsContact C-N 3.31Å; D496-S498 PolarHBondContact O-N 3.23Å; D496-S498 PolarHBondContact OD2-OG 2.77Å; S498-T500 PolarHBondContact O-N 3.25Å; S498-T500 PolarHBondContact OG-OG1 2.82Å
499	G	78.9	Confident	83.2	Confident	7 Å²	7	51 Å²	51	7%	0.072	29%	0.286	C	S	.	.	S	Bend	trans	76.6	-1.8	-172.9	0	0	0	0	0	113.4	I478 W480 V495 D496 F497	I478-G499 WeakPolarHBondContact CG2-O 3.48Å; W480-G499 PolarHBondContact NE1-O 2.74Å; V495-G499 VanDerWaalsContact CG1-CA 3.48Å; D496-G499 PolarHBondContact O-N 3.5Å; D496-G499 WeakPolarHBondContact OD1-CA 3.41Å; D496-G499 PolarHBondContact OD1-N 3.3Å; D496-G499 VanDerWaalsContact OD1-N 3.11Å; F497-G499 PolarHBondContact O-N 3.08Å
500	T	84.8	Confident	83.4	Confident	23 Å²	23	52.5 Å²	52.5	14%	0.141	29%	0.294	C	S	.	.			trans	-78.9	-31.6	-168.4	47	0	0	0	0	114.4	E467 C468 E469 I478 D496 S498	E467-T500 CarbonylContact C-O 3.52Å; E467-T500 WeakPolarHBondContact CA-O 3.35Å; C468-T500 PolarHBondContact N-O 3.1Å; C468-T500 WeakPolarHBondContact O-CA 3.32Å; C468-T500 VanDerWaalsContact O-CB 3.32Å; C468-T500 WeakPolarHBondContact O-CB 3.46Å; C468-T500 WeakPolarHBondContact O-CG2 3.37Å; E469-T500 HydrophobicContact CG-CG2 3.99Å; I478-T500 HydrophobicContact CD1-CG2 3.7Å; D496-T500 PolarHBondContact OD1-N 3.16Å; D496-T500 PolarHBondContact OD2-OG1 2.57Å; S498-T500 PolarHBondContact O-N 3.25Å; S498-T500 PolarHBondContact OG-OG1 2.82Å
501	V	88.9	Confident	83.9	Confident	38 Å²	38	49.7 Å²	49.7	23%	0.23	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.7	-175.7	-173.5	0	0	0	0	110.5	L466 E467 V495 D496	L466-V501 WeakPolarHBondContact O-CA 3.39Å; E467-V501 HydrophobicContact CG-CG2 4.2Å; V495-V501 WeakPolarHBondContact CA-O 3.18Å; D496-V501 HydrophobicContact CB-CB 4.47Å; D496-V501 PolarHBondContact N-O 2.83Å; D496-V501 PolarHBondContact OD1-N 2.89Å; D496-V501 VanDerWaalsContact OD2-CB 3.32Å; D496-V501 WeakPolarHBondContact OD2-CB 3.28Å; D496-V501 WeakPolarHBondContact OD2-CG2 3.33Å; D496-V501 PolarHBondContact OD2-N 2.82Å
502	L	92.3	Very high	84.6	Confident	1 Å²	1	42 Å²	42	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.3	169	167	59	0	0	0	109.6	S465 L466 W480 L487 I493 A494 V495 Y515	S465-L502 CarbonylContact C-O 3.44Å; S465-L502 VanDerWaalsContact CA-O 3.23Å; S465-L502 WeakPolarHBondContact CA-O 3.41Å; L466-L502 HydrophobicContact CB-CB 4.37Å; L466-L502 HydrophobicContact CD1-CD2 4.25Å; L466-L502 PolarHBondContact N-O 2.68Å; L466-L502 PolarHBondContact O-N 3.28Å; W480-L502 HydrophobicContact CB-CD2 4.4Å; W480-L502 HydrophobicContact CD2-CB 3.86Å; W480-L502 HydrophobicContact CD2-CD2 3.98Å; W480-L502 HydrophobicContact CE3-CB 4.23Å; W480-L502 HydrophobicContact CE3-CD2 3.77Å; W480-L502 HydrophobicContact CG-CB 4.23Å; W480-L502 HydrophobicContact CG-CD2 4.27Å; W480-L502 HydrophobicContact CH2-CB 4.34Å; W480-L502 HydrophobicContact CZ2-CB 4.03Å; W480-L502 HydrophobicContact CZ3-CB 4.46Å; W480-L502 HydrophobicContact CZ3-CD2 4.29Å; L487-L502 HydrophobicContact CD2-CD1 3.44Å; L487-L502 VanDerWaalsContact CD2-CD1 3.44Å; L487-L502 HydrophobicContact CD2-CD2 3.79Å; L487-L502 HydrophobicContact CD2-CG 4.28Å; I493-L502 HydrophobicContact CG2-CD1 3.7Å; A494-L502 WeakPolarHBondContact O-CD1 3.01Å; V495-L502 HydrophobicContact CG2-CB 4.23Å; V495-L502 HydrophobicContact CG2-CD1 3.77Å; L502-Y515 HydrophobicContact CD2-CD1 3.27Å; L502-Y515 HydrophobicContact CD2-CE1 3.71Å; L502-Y515 HydrophobicContact CD2-CG 4.15Å
503	T	92.6	Very high	84.7	Confident	26 Å²	26	39 Å²	39	16%	0.16	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.8	178.2	-64.1	0	0	0	0	112	K463 V464 S465 I493 A494	K463-T503 HydrophobicContact CD-CG2 4.35Å; K463-T503 HydrophobicContact CG-CG2 4.13Å; V464-T503 CarbonylContact O-C 3.48Å; V464-T503 WeakPolarHBondContact O-CA 3.12Å; S465-T503 PolarHBondContact OG-OG1 2.72Å; S465-T503 VanDerWaalsContact OG-OG1 3.07Å; I493-T503 CarbonylContact C-O 3.54Å; I493-T503 WeakPolarHBondContact CA-O 3.35Å; A494-T503 PolarHBondContact N-O 2.97Å; A494-T503 PolarHBondContact O-N 2.85Å
504	I	93.2	Very high	85	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	101.7	169	-52.8	172.1	0	0	0	106.8	K463 V464 R492 I493 S506 V507 D511 Y515	K463-I504 CarbonylContact C-O 3.58Å; K463-I504 VanDerWaalsContact CA-O 3.25Å; K463-I504 WeakPolarHBondContact CA-O 3.38Å; V464-I504 HydrophobicContact CB-CB 4.38Å; V464-I504 PolarHBondContact N-O 2.84Å; V464-I504 PolarHBondContact O-N 3.04Å; R492-I504 VanDerWaalsContact NH1-CG2 3.34Å; R492-I504 CarbonylContact O-C 3.46Å; R492-I504 WeakPolarHBondContact O-CA 3.35Å; I493-I504 HydrophobicContact CG1-CG1 4.33Å; I493-I504 HydrophobicContact CG1-CG2 4.26Å; I493-I504 HydrophobicContact CG2-CG1 4.46Å; I504-S506 VanDerWaalsContact C-N 3.27Å; I504-S506 PolarHBondContact O-N 3.08Å; I504-V507 HydrophobicContact CB-CG2 4.23Å; I504-V507 HydrophobicContact CG2-CB 4.45Å; I504-V507 HydrophobicContact CG2-CG2 3.78Å; I504-D511 HydrophobicContact CD1-CB 4.37Å; I504-Y515 HydrophobicContact CD1-CE1 4.33Å; I504-Y515 WeakPolarHBondContact CD1-OH 3.47Å
505	S	87.1	Confident	85.6	Confident	58 Å²	58	40.5 Å²	40.5	41%	0.406	25%	0.247	S	C	.	.	S	Bend	trans	-66.7	-27	-173.6	-59.2	0	0	0	0	113.7	R492	R492-S505 PolarHBondContact O-N 2.59Å
506	S	87.2	Confident	86.2	Confident	54 Å²	54	39 Å²	39	38%	0.378	24%	0.238	S	C	.	.	S	Bend	trans	-151	103.3	178.1	-170.1	0	0	0	0	108.7	G461 S462 R492 I504	G461-S506 WeakPolarHBondContact CA-OG 3.43Å; G461-S506 PolarHBondContact O-OG 2.86Å; S462-S506 WeakPolarHBondContact O-CA 3.43Å; R492-S506 VanDerWaalsContact CD-O 3.24Å; R492-S506 WeakPolarHBondContact CD-O 3.38Å; R492-S506 PolarHBondContact NH1-O 3Å; I504-S506 VanDerWaalsContact C-N 3.27Å; I504-S506 PolarHBondContact O-N 3.08Å
507	V	87.7	Confident	87.1	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	22%	0.224	C	C	.	.			trans	-69.2	128.6	-175.7	173.8	0	0	0	0	111.1	A458 E460 G461 S462 V464 I504 D511 L534	A458-V507 HydrophobicContact CB-CB 4.45Å; A458-V507 HydrophobicContact CB-CG1 4.26Å; A458-V507 HydrophobicContact CB-CG2 4Å; E460-V507 CarbonylContact C-O 3.53Å; E460-V507 WeakPolarHBondContact CA-O 3.37Å; E460-V507 WeakPolarHBondContact CG-O 3.5Å; G461-V507 PolarHBondContact N-O 3.19Å; S462-V507 WeakPolarHBondContact O-CG2 3.49Å; S462-V507 PolarHBondContact O-N 2.74Å; V464-V507 HydrophobicContact CB-CG2 4.08Å; V464-V507 HydrophobicContact CG2-CG2 3.51Å; I504-V507 HydrophobicContact CB-CG2 4.23Å; I504-V507 HydrophobicContact CG2-CB 4.45Å; I504-V507 HydrophobicContact CG2-CG2 3.78Å; V507-D511 HydrophobicContact CG1-CB 4.41Å; V507-L534 HydrophobicContact CG1-CD1 4.33Å; V507-L534 HydrophobicContact CG1-CD2 3.94Å; V507-L534 HydrophobicContact CG1-CG 4.07Å
508	A	86.6	Confident	88.3	Confident	31 Å²	31	33 Å²	33	26%	0.256	21%	0.209	S	C	.	.			trans	-109.4	161.5	172.1	0	0	0	0	0	110.8	D510 D511	A508-D510 PolarHBondContact O-N 3.36Å; A508-D510 VanDerWaalsContact O-N 3.13Å; A508-D511 PolarHBondContact N-OD2 3.17Å; A508-D511 WeakPolarHBondContact O-CB 3.36Å; A508-D511 PolarHBondContact O-N 2.85Å
509	P	83.9	Confident	89.6	Confident	75 Å²	75	29.7 Å²	29.7	49%	0.487	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-46.7	-41.8	176.9	-32.1	38	0	0	0	115.2	D511 A512 L534	P509-D511 PolarHBondContact O-N 3.14Å; P509-A512 PolarHBondContact O-N 3.28Å; P509-L534 VanDerWaalsContact CA-CD1 3.4Å; P509-L534 HydrophobicContact CB-CD1 4.48Å
510	D	87.7	Confident	89.7	Confident	137 Å²	137	30.6 Å²	30.6	73%	0.733	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-76	-0.7	-177.4	-63.6	-20.8	0	0	0	114.2	R482 A508	R482-D510 PolarHBondContact NH1-O 3.22Å; R482-D510 PolarHBondContact NH2-O 3.13Å; A508-D510 PolarHBondContact O-N 3.36Å; A508-D510 VanDerWaalsContact O-N 3.13Å
511	D	89.7	Confident	89.3	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-91.5	-11.2	175.9	-58.5	-42.2	0	0	0	114.2	R482 R492 I493 I504 V507 A508 P509 Y515	R482-D511 IonicContact NH1-OD1 3.88Å; R482-D511 PolarHBondContact NH1-OD1 2.96Å; R492-D511 IonicContact CZ-OD1 3.94Å; R492-D511 IonicContact CZ-OD2 3.01Å; R492-D511 IonicContact NH1-OD1 2.75Å; R492-D511 IonicContact NH1-OD2 3.53Å; R492-D511 PolarHBondContact NH1-OD2 3.02Å; R492-D511 VanDerWaalsContact NH2-CG 3.28Å; R492-D511 IonicContact NH2-OD1 3.82Å; R492-D511 PolarHBondContact NH2-OD1 3.28Å; R492-D511 IonicContact NH2-OD2 3.58Å; R492-D511 PolarHBondContact NH2-OD2 3.2Å; I493-D511 WeakPolarHBondContact CD1-OD1 3.41Å; I504-D511 HydrophobicContact CD1-CB 4.37Å; V507-D511 HydrophobicContact CG1-CB 4.41Å; A508-D511 PolarHBondContact N-OD2 3.17Å; A508-D511 WeakPolarHBondContact O-CB 3.36Å; A508-D511 PolarHBondContact O-N 2.85Å; P509-D511 PolarHBondContact O-N 3.14Å; D511-Y515 VanDerWaalsContact O-CE2 3.32Å; D511-Y515 WeakPolarHBondContact O-CE2 3.29Å; D511-Y515 PolarHBondContact O-OH 2.85Å
512	A	89.6	Confident	88.9	Confident	40 Å²	40	35.6 Å²	35.6	33%	0.331	21%	0.207	S	C	.	.			trans	-62.5	137	171.7	0	0	0	0	0	110.3	P509 V532 L534	P509-A512 PolarHBondContact O-N 3.28Å; A512-V532 WeakPolarHBondContact CA-O 3.25Å; A512-L534 HydrophobicContact CB-CD1 4.25Å
513	G	91.6	Very high	88.2	Confident	15 Å²	15	38.3 Å²	38.3	16%	0.155	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.9	-178.5	-178.6	0	0	0	0	0	113.9	N483 Y515 N531 V532	N483-G513 WeakPolarHBondContact OD1-CA 3.33Å; G513-Y515 WeakPolarHBondContact O-CD2 3.27Å; G513-N531 WeakPolarHBondContact O-CA 3.21Å; G513-V532 PolarHBondContact N-O 2.83Å; G513-V532 PolarHBondContact O-N 2.86Å
514	E	94.9	Very high	87.7	Confident	80 Å²	80	38.4 Å²	38.4	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.1	176	-172.9	179.8	70.8	0	0	109.8	R482 N483 N531	R482-E514 CarbonylContact C-O 3.48Å; R482-E514 WeakPolarHBondContact CA-O 3.44Å; N483-E514 PolarHBondContact N-O 2.93Å; N483-E514 PolarHBondContact OD1-N 2.8Å; E514-N531 WeakPolarHBondContact CA-OD1 3.04Å; E514-N531 WeakPolarHBondContact CB-OD1 3.26Å
515	Y	95.4	Very high	87.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.8	174.4	-70.4	-98.2	0	0	0	109.1	L466 T481 R482 L487 L502 I504 D511 G513 S529 A530 V532	L466-Y515 HydrophobicContact CD1-CD1 4.33Å; L466-Y515 HydrophobicContact CD1-CD2 4.03Å; L466-Y515 HydrophobicContact CD1-CG 3.73Å; T481-Y515 CarbonylContact O-C 3.56Å; T481-Y515 VanDerWaalsContact O-CA 3.28Å; T481-Y515 WeakPolarHBondContact O-CA 3.23Å; R482-Y515 HydrophobicContact CB-CD1 4.18Å; R482-Y515 HydrophobicContact CB-CE1 4.03Å; R482-Y515 VanDerWaalsContact CD-CZ 3.43Å; R482-Y515 WeakPolarHBondContact CD-OH 3.05Å; R482-Y515 HydrophobicContact CG-CD1 4.32Å; R482-Y515 HydrophobicContact CG-CE1 3.92Å; R482-Y515 HydrophobicContact CG-CE2 4.22Å; L487-Y515 HydrophobicContact CD1-CD1 4.22Å; L487-Y515 HydrophobicContact CD1-CE1 3.71Å; L502-Y515 HydrophobicContact CD2-CD1 3.27Å; L502-Y515 HydrophobicContact CD2-CE1 3.71Å; L502-Y515 HydrophobicContact CD2-CG 4.15Å; I504-Y515 HydrophobicContact CD1-CE1 4.33Å; I504-Y515 WeakPolarHBondContact CD1-OH 3.47Å; D511-Y515 VanDerWaalsContact O-CE2 3.32Å; D511-Y515 WeakPolarHBondContact O-CE2 3.29Å; D511-Y515 PolarHBondContact O-OH 2.85Å; G513-Y515 WeakPolarHBondContact O-CD2 3.27Å; Y515-S529 CarbonylContact O-C 3.52Å; Y515-S529 VanDerWaalsContact O-CA 3.24Å; Y515-S529 WeakPolarHBondContact O-CA 3.47Å; Y515-A530 PolarHBondContact N-O 2.86Å; Y515-A530 PolarHBondContact O-N 2.77Å; Y515-V532 HydrophobicContact CD2-CB 4.29Å; Y515-V532 HydrophobicContact CD2-CG2 3.66Å; Y515-V532 HydrophobicContact CE2-CB 3.89Å; Y515-V532 HydrophobicContact CE2-CG2 3.55Å
516	T	94.7	Very high	87.8	Confident	6 Å²	6	45.5 Å²	45.5	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.7	180	-51.2	0	0	0	0	110.4	W480 T481 F518 Q527 A528 S529	W480-T516 CarbonylContact C-O 3.22Å; W480-T516 WeakPolarHBondContact CA-O 3.32Å; T481-T516 PolarHBondContact N-O 2.71Å; T481-T516 PolarHBondContact O-N 3.32Å; T481-T516 WeakPolarHBondContact OG1-CB 3.13Å; T481-T516 PolarHBondContact OG1-O 2.71Å; T516-F518 HydrophobicContact CG2-CD2 4.29Å; T516-F518 HydrophobicContact CG2-CE1 4.33Å; T516-F518 HydrophobicContact CG2-CE2 3.77Å; T516-F518 HydrophobicContact CG2-CZ 3.81Å; T516-Q527 HydrophobicContact CG2-CB 4.16Å; T516-A528 CarbonylContact C-O 3.59Å; T516-A528 WeakPolarHBondContact CA-O 3.26Å; T516-S529 WeakPolarHBondContact CG2-OG 3.18Å; T516-S529 PolarHBondContact OG1-OG 3.1Å
517	C	93.4	Very high	88.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.2	170.6	170.8	0	0	0	0	110	P453 C468 I478 V479 W480 Q527 A528	P453-C517 HydrophobicContact CG-CB 4.42Å; C468-C517 HydrophobicContact CB-CB 3.61Å; C468-C517 WeakPolarHBondContact CB-SG 3.35Å; C468-C517 WeakPolarHBondContact SG-CB 3.28Å; C468-C517 CovalentContact SG-SG 2.02Å; C468-C517 PolarHBondContact SG-SG 2.79Å; I478-C517 WeakPolarHBondContact CG2-SG 3.26Å; V479-C517 CarbonylContact O-C 3.57Å; W480-C517 HydrophobicContact CD2-CB 4.15Å; W480-C517 HydrophobicContact CE3-CB 4.05Å; W480-C517 HydrophobicContact CH2-CB 4.14Å; W480-C517 HydrophobicContact CZ2-CB 4.18Å; W480-C517 HydrophobicContact CZ3-CB 4.05Å; C517-Q527 CarbonylContact O-C 3.47Å; C517-Q527 VanDerWaalsContact O-CA 3.23Å; C517-Q527 WeakPolarHBondContact O-CA 3.34Å; C517-A528 PolarHBondContact N-O 2.83Å; C517-A528 PolarHBondContact O-N 2.75Å
518	F	92.2	Very high	88.5	Confident	29 Å²	29	49.2 Å²	49.2	13%	0.127	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.3	172.8	-65.3	-86.9	0	0	0	109.6	I478 V479 T481 T516 I526 Q527	I478-F518 CarbonylContact C-O 3.29Å; I478-F518 VanDerWaalsContact CA-O 3.23Å; I478-F518 WeakPolarHBondContact CA-O 3.19Å; V479-F518 PolarHBondContact N-O 3.44Å; V479-F518 PolarHBondContact O-N 2.93Å; T481-F518 HydrophobicContact CG2-CD2 4.15Å; T481-F518 HydrophobicContact CG2-CE2 3.67Å; T481-F518 WeakPolarHBondContact OG1-CE2 3.14Å; T516-F518 HydrophobicContact CG2-CD2 4.29Å; T516-F518 HydrophobicContact CG2-CE1 4.33Å; T516-F518 HydrophobicContact CG2-CE2 3.77Å; T516-F518 HydrophobicContact CG2-CZ 3.81Å; F518-I526 WeakPolarHBondContact CA-O 3.32Å; F518-Q527 HydrophobicContact CD1-CB 3.54Å; F518-Q527 HydrophobicContact CE1-CB 3.71Å; F518-Q527 HydrophobicContact CE1-CG 4.37Å; F518-Q527 VanDerWaalsContact CE1-OE1 3.22Å; F518-Q527 HydrophobicContact CG-CB 4.35Å
519	A	88.6	Confident	88.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.3	172	0	0	0	0	0	109.6	P447 F449 A470 P476 S477 I478 R525 I526	P447-A519 HydrophobicContact CB-CB 4.38Å; F449-A519 HydrophobicContact CE1-CB 4.13Å; A470-A519 HydrophobicContact CB-CB 3.3Å; P476-A519 HydrophobicContact CB-CB 3.97Å; S477-A519 CarbonylContact O-C 3.52Å; S477-A519 VanDerWaalsContact O-CA 3.29Å; S477-A519 WeakPolarHBondContact O-CA 3.38Å; I478-A519 HydrophobicContact CG1-CB 4.35Å; A519-R525 CarbonylContact O-C 3.58Å; A519-R525 WeakPolarHBondContact O-CA 3.31Å; A519-I526 HydrophobicContact CB-CD1 4.25Å; A519-I526 HydrophobicContact CB-CG1 3.8Å; A519-I526 PolarHBondContact N-O 3.3Å; A519-I526 PolarHBondContact O-N 3.28Å
520	A	81.6	Confident	89.4	Confident	26 Å²	26	46.5 Å²	46.5	22%	0.215	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.4	-175.7	0	0	0	0	0	112.5	P476 S477 G524 R525	P476-A520 CarbonylContact C-O 3.57Å; P476-A520 WeakPolarHBondContact CA-O 3.46Å; S477-A520 PolarHBondContact N-O 3.29Å; S477-A520 PolarHBondContact O-N 2.86Å; S477-A520 PolarHBondContact OG-O 3.42Å; A520-G524 CarbonylContact C-O 3.51Å; A520-G524 WeakPolarHBondContact CA-O 3.26Å; A520-R525 HydrophobicContact CB-CB 4.01Å; A520-R525 HydrophobicContact CB-CG 4.05Å
521	N	76.5	Confident	89.6	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	-176.5	162.6	70.4	16.3	0	0	0	108.7	S445 P447 P474 L523 G524	S445-N521 PolarHBondContact O-ND2 2.91Å; P447-N521 VanDerWaalsContact CD-OD1 3.28Å; P447-N521 WeakPolarHBondContact CD-OD1 3.16Å; P447-N521 HydrophobicContact CG-CB 4.22Å; P474-N521 VanDerWaalsContact O-CB 3.3Å; P474-N521 WeakPolarHBondContact O-CB 3.12Å; P474-N521 PolarHBondContact O-ND2 2.98Å; N521-L523 PolarHBondContact O-N 3.36Å; N521-L523 WeakPolarHBondContact OD1-CA 3.1Å; N521-L523 WeakPolarHBondContact OD1-CB 3.13Å; N521-L523 PolarHBondContact OD1-N 3.08Å; N521-G524 PolarHBondContact N-O 3.31Å; N521-G524 PolarHBondContact O-N 3.43Å; N521-G524 VanDerWaalsContact O-N 3.15Å; N521-G524 PolarHBondContact OD1-N 3.09Å
522	R	79.8	Confident	89.8	Confident	145 Å²	145	42.4 Å²	42.4	55%	0.547	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.6	179.6	59.8	170.4	166.8	176.4	-14.7	115.3	D366 P474	D366-R522 IonicContact OD2-NH2 3.44Å; P474-R522 HydrophobicContact CG-CG 4.12Å
523	L	78.3	Confident	89.5	Confident	58 Å²	58	46.2 Å²	46.2	30%	0.304	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-11	-178.3	-68.6	168.8	0	0	0	113.9	D368 R444 S445 A446 N521	D368-L523 HydrophobicContact CB-CD2 4.33Å; D368-L523 WeakPolarHBondContact OD1-CD2 3.18Å; R444-L523 HydrophobicContact CB-CD1 3.52Å; S445-L523 VanDerWaalsContact C-CD1 3.4Å; S445-L523 VanDerWaalsContact N-CD1 3.35Å; A446-L523 HydrophobicContact CB-CB 3.9Å; N521-L523 PolarHBondContact O-N 3.36Å; N521-L523 WeakPolarHBondContact OD1-CA 3.1Å; N521-L523 WeakPolarHBondContact OD1-CB 3.13Å; N521-L523 PolarHBondContact OD1-N 3.08Å
524	G	81.7	Confident	89	Confident	28 Å²	28	48.1 Å²	48.1	29%	0.289	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	177.7	177.6	0	0	0	0	0	114.5	P447 A520 N521	P447-G524 WeakPolarHBondContact CD-O 3.21Å; P447-G524 VanDerWaalsContact CG-O 3.3Å; P447-G524 WeakPolarHBondContact CG-O 3.03Å; A520-G524 CarbonylContact C-O 3.51Å; A520-G524 WeakPolarHBondContact CA-O 3.26Å; N521-G524 PolarHBondContact N-O 3.31Å; N521-G524 PolarHBondContact O-N 3.43Å; N521-G524 VanDerWaalsContact O-N 3.15Å; N521-G524 PolarHBondContact OD1-N 3.09Å
525	R	89.4	Confident	87.8	Confident	164 Å²	164	52.1 Å²	52.1	62%	0.619	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	136.9	178.1	175.5	177.9	178.2	-173.8	-0.1	110	A519 A520	A519-R525 CarbonylContact O-C 3.58Å; A519-R525 WeakPolarHBondContact O-CA 3.31Å; A520-R525 HydrophobicContact CB-CB 4.01Å; A520-R525 HydrophobicContact CB-CG 4.05Å
526	I	94.1	Very high	86.1	Confident	45 Å²	45	60.2 Å²	60.2	23%	0.231	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	161	174.2	63.2	178.3	0	0	0	110.3	P447 Q448 F449 F518 A519	P447-I526 HydrophobicContact CB-CD1 3.94Å; P447-I526 HydrophobicContact CB-CG1 3.99Å; Q448-I526 VanDerWaalsContact C-CD1 3.49Å; F449-I526 HydrophobicContact CB-CD1 4.4Å; F449-I526 HydrophobicContact CD1-CD1 4.03Å; F449-I526 HydrophobicContact CD2-CB 4.42Å; F449-I526 HydrophobicContact CD2-CD1 3.51Å; F449-I526 HydrophobicContact CD2-CG1 4.04Å; F449-I526 HydrophobicContact CE1-CD1 4.1Å; F449-I526 HydrophobicContact CE1-CG1 4.17Å; F449-I526 HydrophobicContact CE2-CB 3.81Å; F449-I526 HydrophobicContact CE2-CD1 3.58Å; F449-I526 HydrophobicContact CE2-CG1 3.55Å; F449-I526 HydrophobicContact CG-CD1 3.73Å; F449-I526 HydrophobicContact CZ-CB 4.24Å; F449-I526 HydrophobicContact CZ-CD1 3.88Å; F449-I526 HydrophobicContact CZ-CG1 3.62Å; F449-I526 VanDerWaalsContact N-CD1 3.31Å; F518-I526 WeakPolarHBondContact CA-O 3.32Å; A519-I526 HydrophobicContact CB-CD1 4.25Å; A519-I526 HydrophobicContact CB-CG1 3.8Å; A519-I526 PolarHBondContact N-O 3.3Å; A519-I526 PolarHBondContact O-N 3.28Å
527	Q	94.5	Very high	84.8	Confident	122 Å²	122	62.9 Å²	62.9	57%	0.57	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.6	178.9	69.2	-179.7	64.7	0	0	113.2	F449 T516 C517 F518	F449-Q527 VanDerWaalsContact CE2-O 3.31Å; F449-Q527 WeakPolarHBondContact CE2-O 2.95Å; T516-Q527 HydrophobicContact CG2-CB 4.16Å; C517-Q527 CarbonylContact O-C 3.47Å; C517-Q527 VanDerWaalsContact O-CA 3.23Å; C517-Q527 WeakPolarHBondContact O-CA 3.34Å; F518-Q527 HydrophobicContact CD1-CB 3.54Å; F518-Q527 HydrophobicContact CE1-CB 3.71Å; F518-Q527 HydrophobicContact CE1-CG 4.37Å; F518-Q527 VanDerWaalsContact CE1-OE1 3.22Å; F518-Q527 HydrophobicContact CG-CB 4.35Å
528	A	94.1	Very high	83.5	Confident	11 Å²	11	68.2 Å²	68.2	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.6	173.9	0	0	0	0	0	110.8	F449 R452 P453 T516 C517	F449-A528 HydrophobicContact CD2-CB 4.22Å; F449-A528 HydrophobicContact CE1-CB 4.23Å; F449-A528 HydrophobicContact CE2-CB 3.72Å; F449-A528 HydrophobicContact CZ-CB 3.72Å; R452-A528 HydrophobicContact CB-CB 4.36Å; R452-A528 HydrophobicContact CG-CB 4.25Å; P453-A528 HydrophobicContact CG-CB 4.32Å; T516-A528 CarbonylContact C-O 3.59Å; T516-A528 WeakPolarHBondContact CA-O 3.26Å; C517-A528 PolarHBondContact N-O 2.83Å; C517-A528 PolarHBondContact O-N 2.75Å
529	S	94.2	Very high	82.7	Confident	50 Å²	50	70.4 Å²	70.4	35%	0.35	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152.9	-175.1	-59.8	0	0	0	0	113.2	Y515 T516	Y515-S529 CarbonylContact O-C 3.52Å; Y515-S529 VanDerWaalsContact O-CA 3.24Å; Y515-S529 WeakPolarHBondContact O-CA 3.47Å; T516-S529 WeakPolarHBondContact CG2-OG 3.18Å; T516-S529 PolarHBondContact OG1-OG 3.1Å
530	A	94.8	Very high	82.4	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.1	169.8	0	0	0	0	0	112.1	P453 Q454 L466 Y515	P453-A530 HydrophobicContact CB-CB 3.7Å; P453-A530 HydrophobicContact CG-CB 4.16Å; Q454-A530 VanDerWaalsContact C-CB 3.48Å; Q454-A530 WeakPolarHBondContact O-CB 3.5Å; L466-A530 HydrophobicContact CD2-CB 4.46Å; Y515-A530 PolarHBondContact N-O 2.86Å; Y515-A530 PolarHBondContact O-N 2.77Å
531	N	93.5	Very high	82.7	Confident	48 Å²	48	76.6 Å²	76.6	26%	0.257	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.6	179.8	-74	-59.2	0	0	0	112.5	N455 V456 G513 E514 Y533	N455-N531 CarbonylContact C-O 3.41Å; N455-N531 VanDerWaalsContact CA-O 3.29Å; N455-N531 WeakPolarHBondContact CA-O 3.17Å; N455-N531 PolarHBondContact OD1-N 3.01Å; V456-N531 PolarHBondContact N-O 3.35Å; G513-N531 WeakPolarHBondContact O-CA 3.21Å; E514-N531 WeakPolarHBondContact CA-OD1 3.04Å; E514-N531 WeakPolarHBondContact CB-OD1 3.26Å; N531-Y533 HydrophobicContact CB-CE1 4.1Å; N531-Y533 HydrophobicContact CB-CE2 3.85Å; N531-Y533 WeakPolarHBondContact CB-OH 3.48Å
532	V	92.2	Very high	83.3	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.018	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.3	168.5	179.6	0	0	0	0	109.3	V456 A458 V464 L466 A512 G513 Y515	V456-V532 CarbonylContact O-C 3.52Å; V456-V532 WeakPolarHBondContact O-CA 3.3Å; A458-V532 HydrophobicContact CB-CG1 4.46Å; V464-V532 HydrophobicContact CG1-CG2 4.4Å; L466-V532 HydrophobicContact CD1-CG2 4.04Å; A512-V532 WeakPolarHBondContact CA-O 3.25Å; G513-V532 PolarHBondContact N-O 2.83Å; G513-V532 PolarHBondContact O-N 2.86Å; Y515-V532 HydrophobicContact CD2-CB 4.29Å; Y515-V532 HydrophobicContact CD2-CG2 3.66Å; Y515-V532 HydrophobicContact CE2-CB 3.89Å; Y515-V532 HydrophobicContact CE2-CG2 3.55Å
533	Y	85	Confident	83.7	Confident	120 Å²	120	76.5 Å²	76.5	47%	0.471	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	146.7	178	-52	-80	0	0	0	110.9	N455 V456 A457 A458 N531	N455-Y533 HydrophobicContact CB-CE2 4.08Å; V456-Y533 PolarHBondContact O-N 3Å; A457-Y533 CarbonylContact C-O 3.56Å; A457-Y533 WeakPolarHBondContact CA-O 3.42Å; A458-Y533 PolarHBondContact N-O 2.66Å; N531-Y533 HydrophobicContact CB-CE1 4.1Å; N531-Y533 HydrophobicContact CB-CE2 3.85Å; N531-Y533 WeakPolarHBondContact CB-OH 3.48Å
534	L	79.2	Confident	84.3	Confident	55 Å²	55	77.7 Å²	77.7	29%	0.288	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.1	174	-96.9	151.7	0	0	0	112	A458 E460 V507 P509 A512	A458-L534 CarbonylContact O-C 3.48Å; A458-L534 WeakPolarHBondContact O-CA 3.35Å; E460-L534 HydrophobicContact CB-CD2 3.98Å; V507-L534 HydrophobicContact CG1-CD1 4.33Å; V507-L534 HydrophobicContact CG1-CD2 3.94Å; V507-L534 HydrophobicContact CG1-CG 4.07Å; P509-L534 VanDerWaalsContact CA-CD1 3.4Å; P509-L534 HydrophobicContact CB-CD1 4.48Å; A512-L534 HydrophobicContact CB-CD1 4.25Å
535	R	69.9	Low	84.7	Confident	164 Å²	164	79.2 Å²	79.2	62%	0.619	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.6	168.5	-76.8	-170.7	172.9	-147	0.7	109.6	A457 A458 V459 N537	A457-R535 HydrophobicContact CB-CG 4.31Å; A458-R535 PolarHBondContact O-N 3.45Å; V459-R535 HydrophobicContact CG2-CB 4.16Å; R535-N537 VanDerWaalsContact C-N 3.3Å; R535-N537 PolarHBondContact O-N 2.7Å
536	Q	59.6	Low	84.8	Confident	170 Å²	170	71.8 Å²	71.8	79%	0.794	35%	0.351	S	S	*	.			trans	-77	73.6	178.5	-68.8	-174.8	-10.8	0	0	112.3	N566	Q536-N566 PolarHBondContact O-ND2 3.26Å
537	N	68.4	Low	84.6	Confident	62 Å²	62	73.9 Å²	73.9	33%	0.332	37%	0.37	S	S	.	.			trans	-93	125.4	166.6	-73.7	1.4	0	0	0	108.5	V459 R535 N566 V616	V459-N537 HydrophobicContact CG1-CB 3.96Å; R535-N537 VanDerWaalsContact C-N 3.3Å; R535-N537 PolarHBondContact O-N 2.7Å; N537-N566 CarbonylContact C-O 3.57Å; N537-N566 WeakPolarHBondContact CA-O 3.23Å; N537-V616 HydrophobicContact CB-CG1 4.42Å; N537-V616 HydrophobicContact CB-CG2 3.76Å
538	M	65.3	Low	84.4	Confident	112 Å²	112	71.9 Å²	71.9	55%	0.552	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.2	-178.6	-73.1	-175.6	-77.1	0	0	109.8	G565 N566 N614	M538-G565 CarbonylContact O-C 3.52Å; M538-G565 WeakPolarHBondContact O-CA 3.43Å; M538-N566 HydrophobicContact CB-CB 4.01Å; M538-N566 HydrophobicContact CE-CB 3.84Å; M538-N566 HydrophobicContact CG-CB 4.47Å; M538-N566 PolarHBondContact N-O 3.35Å; M538-N566 PolarHBondContact O-N 3.16Å; M538-N614 PolarHBondContact O-ND2 3.17Å
539	P	75.5	Confident	84.2	Confident	76 Å²	76	74 Å²	74	49%	0.494	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	158.5	173	26.4	-33.2	0	0	0	111.3	K541 V616	P539-K541 PolarHBondContact O-N 2.82Å; P539-V616 HydrophobicContact CB-CB 4.47Å; P539-V616 HydrophobicContact CB-CG1 4.05Å
540	P	83.6	Confident	84	Confident	11 Å²	11	75.6 Å²	75.6	7%	0.071	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.4	-179.4	-20.2	34.7	0	0	0	111	V563 T564 P569 N614 G617 I619	P540-V563 HydrophobicContact CB-CG1 3.56Å; P540-T564 CarbonylContact C-O 3.5Å; P540-T564 VanDerWaalsContact CA-O 3.27Å; P540-T564 WeakPolarHBondContact CA-O 3.27Å; P540-P569 HydrophobicContact CB-CB 3.92Å; P540-P569 HydrophobicContact CB-CG 3.72Å; P540-P569 HydrophobicContact CG-CB 4.08Å; P540-P569 HydrophobicContact CG-CG 3.97Å; P540-N614 WeakPolarHBondContact CD-OD1 3.42Å; P540-N614 HydrophobicContact CG-CB 4.22Å; P540-N614 WeakPolarHBondContact CG-OD1 3.38Å; P540-G617 VanDerWaalsContact CG-O 3.27Å; P540-G617 WeakPolarHBondContact CG-O 3.18Å; P540-I619 HydrophobicContact CB-CB 4.4Å; P540-I619 HydrophobicContact CB-CG2 3.82Å
541	K	86.6	Confident	83.6	Confident	145 Å²	145	77 Å²	77	63%	0.63	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.9	177.4	-176.9	178.6	179.9	178	0	110	P539 Q543 V563 T564	P539-K541 PolarHBondContact O-N 2.82Å; K541-Q543 PolarHBondContact O-N 3.3Å; K541-Q543 VanDerWaalsContact O-N 3.13Å; K541-V563 CarbonylContact O-C 3.52Å; K541-V563 WeakPolarHBondContact O-CA 3.29Å; K541-T564 PolarHBondContact N-O 3.09Å; K541-T564 PolarHBondContact O-N 2.94Å; K541-T564 PolarHBondContact O-OG1 2.89Å; K541-T564 VanDerWaalsContact O-OG1 3.08Å
542	F	89.3	Confident	83	Confident	34 Å²	34	79.5 Å²	79.5	15%	0.149	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	116.5	173.2	-70.2	-64.5	0	0	0	110.4	S545 R562 V563 I619 V621	F542-S545 VanDerWaalsContact CB-OG 3.24Å; F542-S545 WeakPolarHBondContact CB-OG 3.49Å; F542-S545 WeakPolarHBondContact CG-OG 3.37Å; F542-R562 CarbonylContact C-O 3.5Å; F542-R562 WeakPolarHBondContact CA-O 3.34Å; F542-V563 HydrophobicContact CD1-CG2 3.79Å; F542-V563 HydrophobicContact CE1-CG2 3.82Å; F542-I619 HydrophobicContact CD2-CD1 3.38Å; F542-I619 HydrophobicContact CD2-CG1 3.89Å; F542-I619 HydrophobicContact CD2-CG2 4.4Å; F542-I619 HydrophobicContact CE1-CG2 4.26Å; F542-I619 HydrophobicContact CE2-CB 4.3Å; F542-I619 HydrophobicContact CE2-CD1 3.57Å; F542-I619 HydrophobicContact CE2-CG1 3.49Å; F542-I619 VanDerWaalsContact CE2-CG1 3.49Å; F542-I619 HydrophobicContact CE2-CG2 4.01Å; F542-I619 HydrophobicContact CG-CD1 4.21Å; F542-I619 HydrophobicContact CZ-CD1 4.49Å; F542-I619 HydrophobicContact CZ-CG1 4.17Å; F542-I619 HydrophobicContact CZ-CG2 3.9Å; F542-V621 HydrophobicContact CD1-CG1 4.49Å; F542-V621 HydrophobicContact CE1-CG1 3.73Å; F542-V621 HydrophobicContact CE2-CB 3.7Å; F542-V621 HydrophobicContact CE2-CG1 3.74Å; F542-V621 HydrophobicContact CZ-CB 3.73Å; F542-V621 HydrophobicContact CZ-CG1 3.31Å
543	Q	89.4	Confident	82.5	Confident	129 Å²	129	82.2 Å²	82.2	60%	0.603	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	-31.7	164.7	-177.4	-179.9	13.6	0	0	110.5	K541 R562 T564	K541-Q543 PolarHBondContact O-N 3.3Å; K541-Q543 VanDerWaalsContact O-N 3.13Å; Q543-R562 HydrophobicContact CB-CB 4.15Å; Q543-R562 PolarHBondContact N-O 3.28Å; Q543-T564 HydrophobicContact CB-CG2 3.77Å; Q543-T564 HydrophobicContact CG-CG2 4.27Å; Q543-T564 VanDerWaalsContact OE1-CG2 3.28Å
544	Q	90.9	Very high	82.3	Confident	83 Å²	83	79.2 Å²	79.2	39%	0.388	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	114.8	172.6	-171.6	174	17.2	0	0	108.3	P560 C561 R562	Q544-P560 HydrophobicContact CG-CB 4.19Å; Q544-C561 WeakPolarHBondContact O-CA 3.36Å; Q544-R562 HydrophobicContact CB-CB 3.89Å; Q544-R562 HydrophobicContact CB-CG 4.18Å; Q544-R562 PolarHBondContact N-O 2.76Å; Q544-R562 VanDerWaalsContact N-O 3.11Å; Q544-R562 PolarHBondContact O-N 2.89Å
545	S	89.2	Confident	82.5	Confident	60 Å²	60	77.7 Å²	77.7	42%	0.42	44%	0.437	S	S	.	.			trans	-89.1	141.1	173.9	-62.9	0	0	0	0	110	F542 P560	F542-S545 VanDerWaalsContact CB-OG 3.24Å; F542-S545 WeakPolarHBondContact CB-OG 3.49Å; F542-S545 WeakPolarHBondContact CG-OG 3.37Å; S545-P560 CarbonylContact C-O 3.6Å
546	P	91.8	Very high	83.6	Confident	7 Å²	7	73.2 Å²	73.2	5%	0.045	43%	0.428	C	S	.	.			trans	-65.2	164.6	168.8	30.8	-37	0	0	0	110.3	F559 P560 W573 C610 V621 V623	P546-F559 HydrophobicContact CB-CB 3.97Å; P546-F559 HydrophobicContact CB-CD1 4.35Å; P546-P560 VanDerWaalsContact CA-O 3.24Å; P546-P560 WeakPolarHBondContact CA-O 3.32Å; P546-P560 WeakPolarHBondContact CB-O 3.42Å; P546-P560 WeakPolarHBondContact CD-O 3.47Å; P546-W573 HydrophobicContact CB-CH2 3.93Å; P546-W573 HydrophobicContact CG-CH2 3.83Å; P546-C610 HydrophobicContact CG-CB 4.24Å; P546-V621 HydrophobicContact CG-CG1 3.72Å; P546-V623 HydrophobicContact CB-CG1 3.89Å; P546-V623 HydrophobicContact CB-CG2 4.11Å; P546-V623 HydrophobicContact CG-CG1 3.78Å; P546-V623 HydrophobicContact CG-CG2 4.24Å; P546-V623 WeakPolarHBondContact O-CG1 3.34Å
547	S	89.5	Confident	85.1	Confident	89 Å²	89	65.1 Å²	65.1	62%	0.622	39%	0.39	S	S	*	.			trans	-129.8	152.4	174.4	-56.5	0	0	0	0	109.7
548	S	91.3	Very high	86.3	Confident	80 Å²	80	64.4 Å²	64.4	56%	0.559	39%	0.39	S	S	*	.			trans	-56	142.5	173.7	-58.3	0	0	0	0	110.6	E624	S548-E624 CarbonylContact C-O 3.54Å; S548-E624 VanDerWaalsContact CA-O 3.23Å; S548-E624 WeakPolarHBondContact CA-O 3.33Å; S548-E624 WeakPolarHBondContact CB-O 3.35Å; S548-E624 PolarHBondContact OG-N 2.88Å; S548-E624 VanDerWaalsContact OG-N 3.1Å
549	L	90.2	Very high	87.7	Confident	56 Å²	56	59 Å²	59	29%	0.293	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.8	-174.3	-179.9	67.1	0	0	0	109.8	A557 F559 E624 L625 E626	L549-A557 HydrophobicContact CD2-CB 3.61Å; L549-F559 HydrophobicContact CB-CE1 3.89Å; L549-F559 HydrophobicContact CB-CZ 4.21Å; L549-E624 PolarHBondContact N-O 3.02Å; L549-L625 HydrophobicContact CB-CD1 4.28Å; L549-L625 HydrophobicContact CD2-CD1 4.33Å; L549-L625 HydrophobicContact CG-CD1 4.41Å; L549-L625 WeakPolarHBondContact O-CA 3.23Å; L549-E626 PolarHBondContact O-N 3.32Å
550	T	88.9	Confident	88.6	Confident	83 Å²	83	57.3 Å²	57.3	51%	0.509	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.7	172	-55.6	0	0	0	0	108.2	E626 V628	T550-E626 CarbonylContact C-O 3.53Å; T550-E626 WeakPolarHBondContact CA-O 3.37Å; T550-E626 HydrophobicContact CG2-CB 4.24Å; T550-E626 HydrophobicContact CG2-CG 4.33Å; T550-E626 WeakPolarHBondContact CG2-OE2 3.41Å; T550-E626 PolarHBondContact OG1-OE2 2.97Å; T550-V628 HydrophobicContact CG2-CB 4.45Å; T550-V628 HydrophobicContact CG2-CG2 3.09Å
551	I	85.8	Confident	89.1	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.4	-174.8	-160.8	170.4	0	0	0	111.8	T556 V600 L625 E626 V627 V628	I551-T556 VanDerWaalsContact CD1-C 3.48Å; I551-T556 WeakPolarHBondContact CD1-O 3.29Å; I551-V600 HydrophobicContact CG2-CB 4.18Å; I551-V600 HydrophobicContact CG2-CG1 3.74Å; I551-V600 HydrophobicContact CG2-CG2 4.3Å; I551-L625 HydrophobicContact CG2-CD1 3.78Å; I551-E626 PolarHBondContact N-O 2.75Å; I551-V627 WeakPolarHBondContact O-CA 3.26Å; I551-V628 PolarHBondContact O-N 2.75Å
552	T	81.2	Confident	89.4	Confident	102 Å²	102	55.1 Å²	55.1	63%	0.626	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	144	171.5	-24.8	0	0	0	0	110.1	G554 G555	T552-G554 PolarHBondContact O-N 3.05Å; T552-G555 PolarHBondContact O-N 2.75Å; T552-G555 VanDerWaalsContact O-N 3.17Å
553	A	81.4	Confident	89.5	Confident	59 Å²	59	54.3 Å²	54.3	49%	0.488	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	137	176.5	0	0	0	0	0	111.8	V600 V627	A553-V600 CarbonylContact C-O 3.58Å; A553-V600 WeakPolarHBondContact CA-O 3.41Å; A553-V627 HydrophobicContact CB-CG1 4.07Å
554	G	80.7	Confident	89.5	Confident	57 Å²	57	50.9 Å²	50.9	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-10.2	-176	0	0	0	0	0	115.2	T552 V600	T552-G554 PolarHBondContact O-N 3.05Å; G554-V600 PolarHBondContact N-O 3.03Å
555	G	84.9	Confident	89.2	Confident	24 Å²	24	47.8 Å²	47.8	25%	0.247	31%	0.314	C	S	.	.			trans	-73.7	174.5	174.1	0	0	0	0	0	113.7	T552 G599 V600	T552-G555 PolarHBondContact O-N 2.75Å; T552-G555 VanDerWaalsContact O-N 3.17Å; G555-G599 PolarHBondContact O-N 2.58Å; G555-V600 WeakPolarHBondContact O-CB 3.24Å; G555-V600 WeakPolarHBondContact O-CG2 3.09Å; G555-V600 PolarHBondContact O-N 2.77Å
556	T	91.7	Very high	88.7	Confident	70 Å²	70	48.3 Å²	48.3	43%	0.429	31%	0.313	S	S	.	.			trans	-107	119.8	170.4	-65.8	0	0	0	0	109.5	I551 Y596 V597 H598	I551-T556 VanDerWaalsContact CD1-C 3.48Å; I551-T556 WeakPolarHBondContact CD1-O 3.29Å; T556-Y596 HydrophobicContact CG2-CD1 4.08Å; T556-V597 CarbonylContact C-O 3.59Å; T556-V597 VanDerWaalsContact CA-O 3.25Å; T556-V597 WeakPolarHBondContact CA-O 3.45Å; T556-H598 VanDerWaalsContact CG2-ND1 3.29Å; T556-H598 WeakPolarHBondContact CG2-ND1 3.03Å; T556-H598 PolarHBondContact OG1-ND1 2.8Å
557	A	92	Very high	88.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	140.6	172.6	0	0	0	0	0	110.7	L549 F559 Y596 V597 V600 L625	L549-A557 HydrophobicContact CD2-CB 3.61Å; A557-F559 HydrophobicContact CB-CE2 3.97Å; A557-F559 HydrophobicContact CB-CZ 4.36Å; A557-Y596 CarbonylContact O-C 3.6Å; A557-Y596 VanDerWaalsContact O-CA 3.3Å; A557-Y596 WeakPolarHBondContact O-CA 3.28Å; A557-V597 HydrophobicContact CB-CB 4.13Å; A557-V597 HydrophobicContact CB-CG2 4.38Å; A557-V597 PolarHBondContact N-O 3.07Å; A557-V597 PolarHBondContact O-N 3.14Å; A557-V600 HydrophobicContact CB-CG2 3.91Å; A557-L625 HydrophobicContact CB-CD1 3.79Å; A557-L625 HydrophobicContact CB-CD2 4.11Å
558	S	93.7	Very high	88	Confident	46 Å²	46	52 Å²	52	32%	0.322	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.4	177.4	-174.3	0	0	0	0	110.3	Y596	S558-Y596 WeakPolarHBondContact OG-CE1 3.49Å
559	F	95	Very high	87.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	91.6	178.7	-60.3	-73.3	0	0	0	110.2	P546 L549 A557 C561 W573 T594 L595 V597 Y608 V623 L625	P546-F559 HydrophobicContact CB-CB 3.97Å; P546-F559 HydrophobicContact CB-CD1 4.35Å; L549-F559 HydrophobicContact CB-CE1 3.89Å; L549-F559 HydrophobicContact CB-CZ 4.21Å; A557-F559 HydrophobicContact CB-CE2 3.97Å; A557-F559 HydrophobicContact CB-CZ 4.36Å; F559-C561 PolarHBondContact O-N 3.17Å; F559-W573 HydrophobicContact CB-CH2 3.37Å; F559-W573 HydrophobicContact CB-CZ2 3.92Å; F559-W573 HydrophobicContact CB-CZ3 4.07Å; F559-W573 HydrophobicContact CG-CH2 4.26Å; F559-W573 VanDerWaalsContact O-CZ2 3.29Å; F559-W573 WeakPolarHBondContact O-CZ2 3Å; F559-T594 WeakPolarHBondContact O-CA 3.34Å; F559-L595 HydrophobicContact CB-CB 4.38Å; F559-L595 HydrophobicContact CD2-CD2 4.21Å; F559-L595 PolarHBondContact N-O 2.77Å; F559-L595 PolarHBondContact O-N 2.82Å; F559-V597 HydrophobicContact CE2-CG2 4.31Å; F559-Y608 HydrophobicContact CE2-CD2 4.08Å; F559-Y608 HydrophobicContact CE2-CE2 4.4Å; F559-Y608 HydrophobicContact CE2-CG 4.16Å; F559-Y608 HydrophobicContact CZ-CD2 4.26Å; F559-V623 HydrophobicContact CD1-CB 4.5Å; F559-V623 HydrophobicContact CD1-CG2 3.59Å; F559-V623 HydrophobicContact CE1-CB 4.42Å; F559-V623 HydrophobicContact CE1-CG2 3.73Å; F559-V623 HydrophobicContact CG-CG2 4.28Å; F559-L625 HydrophobicContact CZ-CB 3.97Å; F559-L625 HydrophobicContact CZ-CD1 4.04Å; F559-L625 HydrophobicContact CZ-CG 4.42Å
560	P	94	Very high	87.9	Confident	40 Å²	40	54.9 Å²	54.9	26%	0.26	33%	0.329	S	S	.	.			trans	-63.7	127	175.5	-21.3	33.3	0	0	0	111.2	Q544 S545 P546	Q544-P560 HydrophobicContact CG-CB 4.19Å; S545-P560 CarbonylContact C-O 3.6Å; P546-P560 VanDerWaalsContact CA-O 3.24Å; P546-P560 WeakPolarHBondContact CA-O 3.32Å; P546-P560 WeakPolarHBondContact CB-O 3.42Å; P546-P560 WeakPolarHBondContact CD-O 3.47Å
561	C	93.9	Very high	88.1	Confident	0 Å²	0	53 Å²	53	0%	0	32%	0.315	C	S	.	.			trans	-137.4	118.1	173.3	-173.6	0	0	0	0	110.4	Q544 F559 W573 G593 C610	Q544-C561 WeakPolarHBondContact O-CA 3.36Å; F559-C561 PolarHBondContact O-N 3.17Å; C561-W573 HydrophobicContact CB-CH2 4.31Å; C561-W573 HydrophobicContact CB-CZ2 3.54Å; C561-G593 CarbonylContact O-C 3.09Å; C561-G593 WeakPolarHBondContact O-CA 3.26Å; C561-C610 HydrophobicContact CB-CB 3.8Å; C561-C610 WeakPolarHBondContact CB-SG 3.46Å; C561-C610 WeakPolarHBondContact SG-CB 3.33Å; C561-C610 CovalentContact SG-SG 2.02Å; C561-C610 PolarHBondContact SG-SG 2.74Å
562	R	93.2	Very high	88.4	Confident	110 Å²	110	53.8 Å²	53.8	42%	0.415	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.6	174.6	-65.6	-175.9	177.9	-173.8	1.4	109.7	F542 Q543 Q544	F542-R562 CarbonylContact C-O 3.5Å; F542-R562 WeakPolarHBondContact CA-O 3.34Å; Q543-R562 HydrophobicContact CB-CB 4.15Å; Q543-R562 PolarHBondContact N-O 3.28Å; Q544-R562 HydrophobicContact CB-CB 3.89Å; Q544-R562 HydrophobicContact CB-CG 4.18Å; Q544-R562 PolarHBondContact N-O 2.76Å; Q544-R562 VanDerWaalsContact N-O 3.11Å; Q544-R562 PolarHBondContact O-N 2.89Å
563	V	91.5	Very high	89	Confident	16 Å²	16	49.5 Å²	49.5	10%	0.097	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.6	-179.3	-167.9	0	0	0	0	108.9	P540 K541 F542 P569 I571 I619	P540-V563 HydrophobicContact CB-CG1 3.56Å; K541-V563 CarbonylContact O-C 3.52Å; K541-V563 WeakPolarHBondContact O-CA 3.29Å; F542-V563 HydrophobicContact CD1-CG2 3.79Å; F542-V563 HydrophobicContact CE1-CG2 3.82Å; V563-P569 HydrophobicContact CB-CB 4.37Å; V563-P569 HydrophobicContact CG1-CB 3.98Å; V563-P569 HydrophobicContact CG1-CG 3.99Å; V563-I571 HydrophobicContact CB-CD1 4.2Å; V563-I571 HydrophobicContact CB-CG1 4.18Å; V563-I571 HydrophobicContact CG2-CD1 3.96Å; V563-I571 HydrophobicContact CG2-CG1 3.9Å; V563-I619 HydrophobicContact CG1-CG2 3.9Å
564	T	90	Very high	89.5	Confident	58 Å²	58	48.4 Å²	48.4	36%	0.356	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	151.2	178	50.7	0	0	0	0	109.7	P540 K541 Q543	P540-T564 CarbonylContact C-O 3.5Å; P540-T564 VanDerWaalsContact CA-O 3.27Å; P540-T564 WeakPolarHBondContact CA-O 3.27Å; K541-T564 PolarHBondContact N-O 3.09Å; K541-T564 PolarHBondContact O-N 2.94Å; K541-T564 PolarHBondContact O-OG1 2.89Å; K541-T564 VanDerWaalsContact O-OG1 3.08Å; Q543-T564 HydrophobicContact CB-CG2 3.77Å; Q543-T564 HydrophobicContact CG-CG2 4.27Å; Q543-T564 VanDerWaalsContact OE1-CG2 3.28Å
565	G	83.1	Confident	90.1	Very high	17 Å²	17	47.9 Å²	47.9	18%	0.175	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	167.7	-179.6	0	0	0	0	0	111.1	M538 P567	M538-G565 CarbonylContact O-C 3.52Å; M538-G565 WeakPolarHBondContact O-CA 3.43Å; G565-P567 CarbonylContact C-O 3.47Å; G565-P567 VanDerWaalsContact C-O 3.24Å; G565-P567 CarbonylContact O-C 3.39Å
566	N	78.4	Confident	90.2	Very high	72 Å²	72	50.3 Å²	50.3	39%	0.385	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	109.3	176.5	-176.8	21	0	0	0	109.1	Q536 N537 M538	Q536-N566 PolarHBondContact O-ND2 3.26Å; N537-N566 CarbonylContact C-O 3.57Å; N537-N566 WeakPolarHBondContact CA-O 3.23Å; M538-N566 HydrophobicContact CB-CB 4.01Å; M538-N566 HydrophobicContact CE-CB 3.84Å; M538-N566 HydrophobicContact CG-CB 4.47Å; M538-N566 PolarHBondContact N-O 3.35Å; M538-N566 PolarHBondContact O-N 3.16Å
567	P	81.3	Confident	89.8	Confident	48 Å²	48	49.6 Å²	49.6	31%	0.312	27%	0.274	S	S	.	.	S	Bend	cis	-63.8	158.9	2.4	-22.1	34.7	0	0	0	114.3	G565 P569 N614	G565-P567 CarbonylContact C-O 3.47Å; G565-P567 VanDerWaalsContact C-O 3.24Å; G565-P567 CarbonylContact O-C 3.39Å; P567-P569 WeakPolarHBondContact O-CD 3.49Å; P567-N614 VanDerWaalsContact O-CB 3.3Å; P567-N614 WeakPolarHBondContact O-CB 3.34Å; P567-N614 PolarHBondContact O-ND2 2.85Å
568	T	85.1	Confident	89.6	Confident	125 Å²	125	54.9 Å²	54.9	77%	0.767	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-55.7	122.9	-178.2	-54	0	0	0	0	111.8
569	P	88.4	Confident	89.2	Confident	13 Å²	13	57.3 Å²	57.3	8%	0.084	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-70.7	144.4	-175.8	-20.6	33.7	0	0	0	114.5	P540 V563 P567 T613 N614	P540-P569 HydrophobicContact CB-CB 3.92Å; P540-P569 HydrophobicContact CB-CG 3.72Å; P540-P569 HydrophobicContact CG-CB 4.08Å; P540-P569 HydrophobicContact CG-CG 3.97Å; V563-P569 HydrophobicContact CB-CB 4.37Å; V563-P569 HydrophobicContact CG1-CB 3.98Å; V563-P569 HydrophobicContact CG1-CG 3.99Å; P567-P569 WeakPolarHBondContact O-CD 3.49Å; P569-T613 CarbonylContact C-O 3.59Å; P569-T613 WeakPolarHBondContact CA-O 3.41Å; P569-N614 HydrophobicContact CB-CB 4.36Å; P569-N614 HydrophobicContact CG-CB 4.33Å
570	R	91.8	Very high	88.8	Confident	184 Å²	184	58.6 Å²	58.6	69%	0.694	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.2	169.7	-178.4	180	178.4	-177.1	-0.4	110.1	G612 T613	R570-G612 CarbonylContact O-C 3.44Å; R570-G612 VanDerWaalsContact O-CA 3.32Å; R570-G612 WeakPolarHBondContact O-CA 3.37Å; R570-T613 PolarHBondContact N-O 3.34Å; R570-T613 PolarHBondContact O-N 3.36Å
571	I	92.6	Very high	88	Confident	43 Å²	43	66.9 Å²	66.9	22%	0.221	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.4	177.6	-60.7	174.1	0	0	0	110.5	V563 C610 Q611	V563-I571 HydrophobicContact CB-CD1 4.2Å; V563-I571 HydrophobicContact CB-CG1 4.18Å; V563-I571 HydrophobicContact CG2-CD1 3.96Å; V563-I571 HydrophobicContact CG2-CG1 3.9Å; I571-C610 VanDerWaalsContact CG2-SG 3.58Å; I571-Q611 CarbonylContact C-O 3.59Å; I571-Q611 VanDerWaalsContact CA-O 3.3Å; I571-Q611 WeakPolarHBondContact CA-O 2.76Å
572	T	92.7	Very high	86.8	Confident	45 Å²	45	71.3 Å²	71.3	28%	0.276	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.1	174.8	49.6	0	0	0	0	111.1	Q611	T572-Q611 PolarHBondContact N-O 2.97Å; T572-Q611 PolarHBondContact O-N 2.75Å
573	W	93.9	Very high	85	Confident	12 Å²	12	70.5 Å²	70.5	5%	0.045	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.3	179.8	-77	90.7	0	0	0	112.6	P546 F559 C561 I580 G593 L595 T609 C610 V623	P546-W573 HydrophobicContact CB-CH2 3.93Å; P546-W573 HydrophobicContact CG-CH2 3.83Å; F559-W573 HydrophobicContact CB-CH2 3.37Å; F559-W573 HydrophobicContact CB-CZ2 3.92Å; F559-W573 HydrophobicContact CB-CZ3 4.07Å; F559-W573 HydrophobicContact CG-CH2 4.26Å; F559-W573 VanDerWaalsContact O-CZ2 3.29Å; F559-W573 WeakPolarHBondContact O-CZ2 3Å; C561-W573 HydrophobicContact CB-CH2 4.31Å; C561-W573 HydrophobicContact CB-CZ2 3.54Å; W573-I580 HydrophobicContact CB-CD1 3.8Å; W573-I580 HydrophobicContact CB-CG1 4.32Å; W573-I580 PolarHBondContact O-N 2.72Å; W573-I580 VanDerWaalsContact O-N 3.13Å; W573-G593 PolarHBondContact NE1-O 3.26Å; W573-L595 HydrophobicContact CB-CD2 4.4Å; W573-L595 HydrophobicContact CD2-CB 3.68Å; W573-L595 HydrophobicContact CD2-CD2 3.68Å; W573-L595 HydrophobicContact CD2-CG 4.26Å; W573-L595 HydrophobicContact CE3-CB 4.23Å; W573-L595 HydrophobicContact CE3-CD2 3.56Å; W573-L595 HydrophobicContact CG-CB 4.05Å; W573-L595 HydrophobicContact CG-CD2 4.08Å; W573-L595 HydrophobicContact CG-CG 4.48Å; W573-L595 HydrophobicContact CH2-CB 4.27Å; W573-L595 HydrophobicContact CZ2-CB 3.71Å; W573-L595 HydrophobicContact CZ3-CD2 4.07Å; W573-T609 CarbonylContact C-O 3.44Å; W573-T609 VanDerWaalsContact CA-O 3.28Å; W573-T609 WeakPolarHBondContact CA-O 3.39Å; W573-C610 HydrophobicContact CD2-CB 4.21Å; W573-C610 HydrophobicContact CE3-CB 4.17Å; W573-C610 HydrophobicContact CH2-CB 3.69Å; W573-C610 HydrophobicContact CZ2-CB 3.75Å; W573-C610 HydrophobicContact CZ3-CB 3.91Å; W573-V623 HydrophobicContact CZ3-CG2 4.45Å
574	L	92.6	Very high	83.6	Confident	37 Å²	37	81.4 Å²	81.4	19%	0.194	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.7	170.9	-48.5	168.6	0	0	0	109.7	N578 P579 Y608 T609	L574-N578 CarbonylContact C-O 3.57Å; L574-N578 VanDerWaalsContact CA-O 3.28Å; L574-N578 WeakPolarHBondContact CA-O 3.08Å; L574-P579 HydrophobicContact CD2-CB 4.3Å; L574-P579 HydrophobicContact CD2-CG 4Å; L574-Y608 CarbonylContact O-C 3.49Å; L574-Y608 VanDerWaalsContact O-CA 3.3Å; L574-Y608 WeakPolarHBondContact O-CA 3.35Å; L574-T609 HydrophobicContact CD1-CG2 4.19Å; L574-T609 PolarHBondContact N-O 2.87Å; L574-T609 PolarHBondContact O-N 3.3Å
575	F	91.8	Very high	82.6	Confident	45 Å²	45	81.4 Å²	81.4	20%	0.197	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.4	167.5	172.5	-119.7	0	0	0	108.5	G577 N578 I580 D604 F607 Y608	F575-G577 PolarHBondContact O-N 3.16Å; F575-N578 PolarHBondContact N-O 3.37Å; F575-N578 PolarHBondContact O-N 3.22Å; F575-I580 HydrophobicContact CB-CD1 4.1Å; F575-I580 HydrophobicContact CB-CG1 3.8Å; F575-D604 WeakPolarHBondContact CE2-O 3.1Å; F575-F607 CarbonylContact C-O 3.54Å; F575-F607 WeakPolarHBondContact CA-O 3.18Å; F575-Y608 HydrophobicContact CB-CD1 4.46Å; F575-Y608 HydrophobicContact CB-CE1 4.29Å; F575-Y608 HydrophobicContact CD2-CD1 4.24Å; F575-Y608 HydrophobicContact CD2-CD2 4.18Å; F575-Y608 AromaticContact CD2-CE1 3.81Å; F575-Y608 HydrophobicContact CD2-CE1 3.81Å; F575-Y608 AromaticContact CD2-CE2 3.7Å; F575-Y608 HydrophobicContact CD2-CE2 3.7Å; F575-Y608 HydrophobicContact CD2-CG 4.42Å; F575-Y608 AromaticContact CD2-CZ 3.5Å; F575-Y608 AromaticContact CE2-CE2 3.82Å; F575-Y608 HydrophobicContact CE2-CE2 3.82Å; F575-Y608 AromaticContact CE2-CZ 3.81Å; F575-Y608 HydrophobicContact CG-CE1 4.31Å
576	N	87	Confident	82.9	Confident	76 Å²	76	83.4 Å²	83.4	41%	0.406	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	47.2	-175.3	-66	-34.5	0	0	0	112.3	N578 F607	N576-N578 VanDerWaalsContact C-N 3.26Å; N576-N578 PolarHBondContact O-N 3.48Å; N576-N578 PolarHBondContact O-ND2 3.4Å; N576-F607 PolarHBondContact N-O 3.03Å; N576-F607 PolarHBondContact OD1-N 3.29Å
577	G	83.4	Confident	83.5	Confident	54 Å²	54	81.5 Å²	81.5	56%	0.557	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-6	-179.6	0	0	0	0	0	116	F575	F575-G577 PolarHBondContact O-N 3.16Å
578	N	87.4	Confident	83.9	Confident	111 Å²	111	83.7 Å²	83.7	59%	0.594	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.8	-179	-66.7	-66.7	0	0	0	112	L574 F575 N576 I580	L574-N578 CarbonylContact C-O 3.57Å; L574-N578 VanDerWaalsContact CA-O 3.28Å; L574-N578 WeakPolarHBondContact CA-O 3.08Å; F575-N578 PolarHBondContact N-O 3.37Å; F575-N578 PolarHBondContact O-N 3.22Å; N576-N578 VanDerWaalsContact C-N 3.26Å; N576-N578 PolarHBondContact O-N 3.48Å; N576-N578 PolarHBondContact O-ND2 3.4Å; N578-I580 PolarHBondContact O-N 3.48Å
579	P	87	Confident	84.1	Confident	98 Å²	98	80.4 Å²	80.4	64%	0.636	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	129.1	176.4	-25	33.7	0	0	0	113.2	L574 R581	L574-P579 HydrophobicContact CD2-CB 4.3Å; L574-P579 HydrophobicContact CD2-CG 4Å; P579-R581 PolarHBondContact O-N 3.29Å
580	I	85.9	Confident	84.1	Confident	27 Å²	27	81.1 Å²	81.1	14%	0.138	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-68.6	120.5	176.6	-61.3	-176.6	0	0	0	109.2	W573 F575 N578 F587 L595 Y608	W573-I580 HydrophobicContact CB-CD1 3.8Å; W573-I580 HydrophobicContact CB-CG1 4.32Å; W573-I580 PolarHBondContact O-N 2.72Å; W573-I580 VanDerWaalsContact O-N 3.13Å; F575-I580 HydrophobicContact CB-CD1 4.1Å; F575-I580 HydrophobicContact CB-CG1 3.8Å; N578-I580 PolarHBondContact O-N 3.48Å; I580-F587 HydrophobicContact CD1-CD1 4.46Å; I580-F587 HydrophobicContact CG2-CB 3.69Å; I580-F587 HydrophobicContact CG2-CD1 4.05Å; I580-F587 HydrophobicContact CG2-CD2 3.74Å; I580-F587 HydrophobicContact CG2-CE2 4.37Å; I580-F587 HydrophobicContact CG2-CG 3.55Å; I580-L595 HydrophobicContact CD1-CD1 4.14Å; I580-L595 HydrophobicContact CD1-CD2 3.65Å; I580-Y608 HydrophobicContact CD1-CD1 3.85Å; I580-Y608 HydrophobicContact CD1-CE1 3.97Å
581	R	76.7	Confident	83.7	Confident	214 Å²	214	78.6 Å²	78.6	81%	0.808	43%	0.425	S	S	*	.			trans	-87.8	110.5	169.9	-69.2	-177.1	169.8	176.3	-2.4	108.7	P579 V583	P579-R581 PolarHBondContact O-N 3.29Å; R581-V583 VanDerWaalsContact C-N 3.34Å; R581-V583 HydrophobicContact CB-CG2 3.89Å; R581-V583 PolarHBondContact O-N 2.82Å
582	V	69.3	Low	83.3	Confident	93 Å²	93	81.7 Å²	81.7	56%	0.564	44%	0.439	S	S	*	.			trans	-68.9	90.4	174	-178.2	0	0	0	0	108.6	F587 V589	V582-F587 WeakPolarHBondContact CG1-O 3.4Å; V582-V589 HydrophobicContact CG2-CG2 4.41Å
583	V	56	Low	83.1	Confident	92 Å²	92	79.8 Å²	79.8	56%	0.558	43%	0.428	S	S	*	.			trans	-121.2	115.9	178.8	-167.9	0	0	0	0	108.7	R581	R581-V583 VanDerWaalsContact C-N 3.34Å; R581-V583 HydrophobicContact CB-CG2 3.89Å; R581-V583 PolarHBondContact O-N 2.82Å
584	R	60.5	Low	83.1	Confident	246 Å²	246	79.9 Å²	79.9	93%	0.928	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	69.5	165.9	-65.3	-175.8	177.8	-172.4	-0.4	116.3	H586	R584-H586 VanDerWaalsContact C-N 3.31Å; R584-H586 PolarHBondContact O-N 3.28Å; R584-H586 VanDerWaalsContact O-N 3.13Å
585	G	70.9	Confident	83.1	Confident	58 Å²	58	78.1 Å²	78.1	60%	0.598	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-9.3	157	0	0	0	0	0	117.9	H598	G585-H598 PolarHBondContact O-CD2 3.44Å
586	H	88.5	Confident	83.2	Confident	58 Å²	58	79.7 Å²	79.7	27%	0.269	43%	0.426	S	S	.	.	S	Bend	trans	-80.8	-52.7	176.5	-170.1	66.6	0	0	0	112.6	R584 V597 H598 D604	R584-H586 VanDerWaalsContact C-N 3.31Å; R584-H586 PolarHBondContact O-N 3.28Å; R584-H586 VanDerWaalsContact O-N 3.13Å; H586-V597 CarbonylContact O-C 3.52Å; H586-V597 WeakPolarHBondContact O-CA 3.37Å; H586-H598 PolarHBondContact CE1-O 2.98Å; H586-H598 VanDerWaalsContact CE1-O 3.22Å; H586-H598 PolarHBondContact ND1-O 3.47Å; H586-H598 PolarHBondContact O-N 2.9Å; H586-D604 IonicContact CD2-OD1 3.74Å; H586-D604 IonicContact CE1-OD1 3.93Å; H586-D604 IonicContact CE1-OD2 3.73Å; H586-D604 PolarHBondContact CE1-OD2 3.12Å; H586-D604 VanDerWaalsContact CE1-OD2 3.3Å; H586-D604 VanDerWaalsContact NE2-CG 3.3Å; H586-D604 IonicContact NE2-OD1 2.82Å; H586-D604 PolarHBondContact NE2-OD1 2.03Å; H586-D604 IonicContact NE2-OD2 2.75Å; H586-D604 PolarHBondContact NE2-OD2 3.22Å
587	F	90.2	Very high	83.4	Confident	33 Å²	33	76.1 Å²	76.1	15%	0.145	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.8	172	-63.2	-68.3	0	0	0	110.4	I580 V582 L595 Y596 V597 Y608	I580-F587 HydrophobicContact CD1-CD1 4.46Å; I580-F587 HydrophobicContact CG2-CB 3.69Å; I580-F587 HydrophobicContact CG2-CD1 4.05Å; I580-F587 HydrophobicContact CG2-CD2 3.74Å; I580-F587 HydrophobicContact CG2-CE2 4.37Å; I580-F587 HydrophobicContact CG2-CG 3.55Å; V582-F587 WeakPolarHBondContact CG1-O 3.4Å; F587-L595 HydrophobicContact CB-CD1 4.48Å; F587-L595 HydrophobicContact CD1-CD1 4.37Å; F587-Y596 WeakPolarHBondContact CA-O 3.21Å; F587-V597 HydrophobicContact CD1-CB 4.36Å; F587-V597 HydrophobicContact CD1-CG1 4.04Å; F587-V597 HydrophobicContact CD1-CG2 3.9Å; F587-V597 HydrophobicContact CE1-CB 4.31Å; F587-V597 HydrophobicContact CE1-CG1 3.66Å; F587-V597 HydrophobicContact CE1-CG2 3.86Å; F587-Y608 AromaticContact CE1-CE1 3.87Å; F587-Y608 HydrophobicContact CE1-CE1 3.87Å
588	E	89.5	Confident	83.8	Confident	93 Å²	93	76.1 Å²	76.1	44%	0.435	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.3	177.1	179.3	-176.3	178.5	0	0	110.5	L595 Y596 H598	E588-L595 CarbonylContact O-C 3.56Å; E588-L595 WeakPolarHBondContact O-CA 3.07Å; E588-Y596 PolarHBondContact N-O 2.99Å; E588-Y596 PolarHBondContact O-N 3.48Å; E588-H598 IonicContact OE2-CD2 2.75Å; E588-H598 IonicContact OE2-CE1 2.8Å; E588-H598 IonicContact OE2-NE2 3.9Å; E588-H598 PolarHBondContact OE2-NE2 2.66Å
589	V	89.3	Confident	83.8	Confident	57 Å²	57	72.6 Å²	72.6	35%	0.345	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.3	176.1	-176.7	0	0	0	0	109.4	V582 T594 L595	V582-V589 HydrophobicContact CG2-CG2 4.41Å; V589-T594 CarbonylContact C-O 3.39Å; V589-T594 WeakPolarHBondContact CA-O 3.48Å; V589-L595 HydrophobicContact CG2-CD1 3.74Å
590	T	88.8	Confident	83.9	Confident	27 Å²	27	68 Å²	68	17%	0.166	35%	0.352	C	S	.	.			trans	-70.8	158.4	178.2	59.9	0	0	0	0	112.2	Q592 G593 T594 Y596	T590-Q592 PolarHBondContact O-N 2.03Å; T590-Q592 VanDerWaalsContact O-N 3.08Å; T590-G593 PolarHBondContact O-N 2.75Å; T590-T594 PolarHBondContact N-O 2.85Å; T590-T594 WeakPolarHBondContact OG1-CA 3.15Å; T590-T594 VanDerWaalsContact OG1-CB 3.27Å; T590-T594 WeakPolarHBondContact OG1-CB 3.31Å; T590-T594 PolarHBondContact OG1-N 3.17Å; T590-T594 PolarHBondContact OG1-O 2.69Å; T590-Y596 HydrophobicContact CG2-CD2 4.14Å; T590-Y596 HydrophobicContact CG2-CE2 3.64Å
591	P	84.3	Confident	84	Confident	131 Å²	131	69.1 Å²	69.1	85%	0.851	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.8	172.9	-26	34.9	0	0	0	114.3	G593	P591-G593 VanDerWaalsContact C-N 3.33Å
592	Q	83.3	Confident	84.3	Confident	109 Å²	109	63.1 Å²	63.1	51%	0.509	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2	178	-62.8	76.7	17.6	0	0	113.5	T590	T590-Q592 PolarHBondContact O-N 2.03Å; T590-Q592 VanDerWaalsContact O-N 3.08Å
593	G	89.4	Confident	85	Confident	4 Å²	4	65.5 Å²	65.5	4%	0.041	35%	0.354	C	S	.	.	S	Bend	trans	97.3	-1.2	175.3	0	0	0	0	0	116.2	C561 W573 T590 P591	C561-G593 CarbonylContact O-C 3.09Å; C561-G593 WeakPolarHBondContact O-CA 3.26Å; W573-G593 PolarHBondContact NE1-O 3.26Å; T590-G593 PolarHBondContact O-N 2.75Å; P591-G593 VanDerWaalsContact C-N 3.33Å
594	T	92.9	Very high	86.6	Confident	15 Å²	15	61.7 Å²	61.7	9%	0.092	33%	0.33	C	S	.	.			trans	-71.7	130	177	-55.3	0	0	0	0	110.9	F559 V589 T590 Y596	F559-T594 WeakPolarHBondContact O-CA 3.34Å; V589-T594 CarbonylContact C-O 3.39Å; V589-T594 WeakPolarHBondContact CA-O 3.48Å; T590-T594 PolarHBondContact N-O 2.85Å; T590-T594 WeakPolarHBondContact OG1-CA 3.15Å; T590-T594 VanDerWaalsContact OG1-CB 3.27Å; T590-T594 WeakPolarHBondContact OG1-CB 3.31Å; T590-T594 PolarHBondContact OG1-N 3.17Å; T590-T594 PolarHBondContact OG1-O 2.69Å; T594-Y596 HydrophobicContact CG2-CD2 4.26Å; T594-Y596 HydrophobicContact CG2-CE2 3.75Å
595	L	93.9	Very high	88	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.8	171.8	173	70.2	0	0	0	110.6	F559 W573 I580 F587 E588 V589 V597 Y608	F559-L595 HydrophobicContact CB-CB 4.38Å; F559-L595 HydrophobicContact CD2-CD2 4.21Å; F559-L595 PolarHBondContact N-O 2.77Å; F559-L595 PolarHBondContact O-N 2.82Å; W573-L595 HydrophobicContact CB-CD2 4.4Å; W573-L595 HydrophobicContact CD2-CB 3.68Å; W573-L595 HydrophobicContact CD2-CD2 3.68Å; W573-L595 HydrophobicContact CD2-CG 4.26Å; W573-L595 HydrophobicContact CE3-CB 4.23Å; W573-L595 HydrophobicContact CE3-CD2 3.56Å; W573-L595 HydrophobicContact CG-CB 4.05Å; W573-L595 HydrophobicContact CG-CD2 4.08Å; W573-L595 HydrophobicContact CG-CG 4.48Å; W573-L595 HydrophobicContact CH2-CB 4.27Å; W573-L595 HydrophobicContact CZ2-CB 3.71Å; W573-L595 HydrophobicContact CZ3-CD2 4.07Å; I580-L595 HydrophobicContact CD1-CD1 4.14Å; I580-L595 HydrophobicContact CD1-CD2 3.65Å; F587-L595 HydrophobicContact CB-CD1 4.48Å; F587-L595 HydrophobicContact CD1-CD1 4.37Å; E588-L595 CarbonylContact O-C 3.56Å; E588-L595 WeakPolarHBondContact O-CA 3.07Å; V589-L595 HydrophobicContact CG2-CD1 3.74Å; L595-V597 HydrophobicContact CD2-CG2 4.44Å; L595-V597 HydrophobicContact CG-CG2 4.43Å; L595-Y608 HydrophobicContact CD2-CD1 3.4Å; L595-Y608 HydrophobicContact CD2-CE1 3.87Å; L595-Y608 HydrophobicContact CD2-CG 4.34Å
596	Y	93	Very high	88.9	Confident	78 Å²	78	49.6 Å²	49.6	31%	0.306	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.4	167	-66.5	-86.6	0	0	0	110.3	T556 A557 S558 F587 E588 T590 T594	T556-Y596 HydrophobicContact CG2-CD1 4.08Å; A557-Y596 CarbonylContact O-C 3.6Å; A557-Y596 VanDerWaalsContact O-CA 3.3Å; A557-Y596 WeakPolarHBondContact O-CA 3.28Å; S558-Y596 WeakPolarHBondContact OG-CE1 3.49Å; F587-Y596 WeakPolarHBondContact CA-O 3.21Å; E588-Y596 PolarHBondContact N-O 2.99Å; E588-Y596 PolarHBondContact O-N 3.48Å; T590-Y596 HydrophobicContact CG2-CD2 4.14Å; T590-Y596 HydrophobicContact CG2-CE2 3.64Å; T594-Y596 HydrophobicContact CG2-CD2 4.26Å; T594-Y596 HydrophobicContact CG2-CE2 3.75Å
597	V	91.9	Very high	89.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.6	170.2	-167.9	0	0	0	0	107.1	T556 A557 F559 H586 F587 L595 V600 D604 Y608	T556-V597 CarbonylContact C-O 3.59Å; T556-V597 VanDerWaalsContact CA-O 3.25Å; T556-V597 WeakPolarHBondContact CA-O 3.45Å; A557-V597 HydrophobicContact CB-CB 4.13Å; A557-V597 HydrophobicContact CB-CG2 4.38Å; A557-V597 PolarHBondContact N-O 3.07Å; A557-V597 PolarHBondContact O-N 3.14Å; F559-V597 HydrophobicContact CE2-CG2 4.31Å; H586-V597 CarbonylContact O-C 3.52Å; H586-V597 WeakPolarHBondContact O-CA 3.37Å; F587-V597 HydrophobicContact CD1-CB 4.36Å; F587-V597 HydrophobicContact CD1-CG1 4.04Å; F587-V597 HydrophobicContact CD1-CG2 3.9Å; F587-V597 HydrophobicContact CE1-CB 4.31Å; F587-V597 HydrophobicContact CE1-CG1 3.66Å; F587-V597 HydrophobicContact CE1-CG2 3.86Å; L595-V597 HydrophobicContact CD2-CG2 4.44Å; L595-V597 HydrophobicContact CG-CG2 4.43Å; V597-V600 HydrophobicContact CB-CG2 4.15Å; V597-V600 HydrophobicContact CG1-CG2 4.07Å; V597-V600 WeakPolarHBondContact O-CG2 3.46Å; V597-D604 HydrophobicContact CG1-CB 4.31Å; V597-Y608 HydrophobicContact CG2-CE1 3.86Å
598	H	90.3	Very high	89.3	Confident	55 Å²	55	50.2 Å²	50.2	26%	0.255	28%	0.281	S	S	.	.			trans	-89.9	140.5	-175.1	-64.1	-68.9	0	0	0	111	T556 G585 H586 E588	T556-H598 VanDerWaalsContact CG2-ND1 3.29Å; T556-H598 WeakPolarHBondContact CG2-ND1 3.03Å; T556-H598 PolarHBondContact OG1-ND1 2.8Å; G585-H598 PolarHBondContact O-CD2 3.44Å; H586-H598 PolarHBondContact CE1-O 2.98Å; H586-H598 VanDerWaalsContact CE1-O 3.22Å; H586-H598 PolarHBondContact ND1-O 3.47Å; H586-H598 PolarHBondContact O-N 2.9Å; E588-H598 IonicContact OE2-CD2 2.75Å; E588-H598 IonicContact OE2-CE1 2.8Å; E588-H598 IonicContact OE2-NE2 3.9Å; E588-H598 PolarHBondContact OE2-NE2 2.66Å
599	G	87.8	Confident	89.5	Confident	37 Å²	37	46.4 Å²	46.4	38%	0.381	26%	0.264	S	S	.	.	S	Bend	trans	62.8	44.3	176.1	0	0	0	0	0	113.6	G555 T601	G555-G599 PolarHBondContact O-N 2.58Å; G599-T601 PolarHBondContact O-N 3.26Å
600	V	89.7	Confident	89.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	25%	0.248	C	C	.	.			trans	-50.2	124.5	-174.2	173.1	0	0	0	0	112	I551 A553 G554 G555 A557 V597 D604 L625 V627	I551-V600 HydrophobicContact CG2-CB 4.18Å; I551-V600 HydrophobicContact CG2-CG1 3.74Å; I551-V600 HydrophobicContact CG2-CG2 4.3Å; A553-V600 CarbonylContact C-O 3.58Å; A553-V600 WeakPolarHBondContact CA-O 3.41Å; G554-V600 PolarHBondContact N-O 3.03Å; G555-V600 WeakPolarHBondContact O-CB 3.24Å; G555-V600 WeakPolarHBondContact O-CG2 3.09Å; G555-V600 PolarHBondContact O-N 2.77Å; A557-V600 HydrophobicContact CB-CG2 3.91Å; V597-V600 HydrophobicContact CB-CG2 4.15Å; V597-V600 HydrophobicContact CG1-CG2 4.07Å; V597-V600 WeakPolarHBondContact O-CG2 3.46Å; V600-D604 HydrophobicContact CG1-CB 4.24Å; V600-L625 HydrophobicContact CG1-CD2 4.04Å; V600-L625 HydrophobicContact CG2-CD2 4.29Å; V600-V627 HydrophobicContact CG1-CG1 4.36Å; V600-V627 HydrophobicContact CG1-CG2 3.43Å; V600-V627 VanDerWaalsContact CG1-CG2 3.43Å
601	T	86.9	Confident	89.9	Confident	51 Å²	51	45.3 Å²	45.3	31%	0.313	25%	0.253	S	S	.	.			trans	-107.8	163.8	175.3	66	0	0	0	0	110.5	G599 Q603 D604	G599-T601 PolarHBondContact O-N 3.26Å; T601-Q603 PolarHBondContact O-N 2.94Å; T601-Q603 PolarHBondContact OG1-N 3.03Å; T601-Q603 PolarHBondContact OG1-OE1 2.72Å; T601-D604 PolarHBondContact N-OD2 3.09Å; T601-D604 WeakPolarHBondContact O-CB 3.03Å; T601-D604 PolarHBondContact O-N 3.04Å; T601-D604 PolarHBondContact OG1-OD2 2.03Å
602	P	83.2	Confident	90.3	Very high	87 Å²	87	39.1 Å²	39.1	57%	0.565	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-55.2	-22.4	172.4	-26.6	35.9	0	0	0	114.2	D604 A605	P602-D604 VanDerWaalsContact C-N 3.3Å; P602-A605 WeakPolarHBondContact O-CB 3.42Å
603	Q	84.9	Confident	90.7	Very high	143 Å²	143	36 Å²	36	67%	0.668	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-75.5	-17.3	176.5	-67.1	74.4	22.2	0	0	113.5	T601 A605	T601-Q603 PolarHBondContact O-N 2.94Å; T601-Q603 PolarHBondContact OG1-N 3.03Å; T601-Q603 PolarHBondContact OG1-OE1 2.72Å; Q603-A605 VanDerWaalsContact C-N 3.3Å
604	D	89.9	Confident	90.5	Very high	12 Å²	12	37 Å²	37	6%	0.064	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-85.2	-6.3	178	-61	-55.9	0	0	0	112.7	F575 H586 V597 V600 T601 P602 Y608 L625	F575-D604 WeakPolarHBondContact CE2-O 3.1Å; H586-D604 IonicContact CD2-OD1 3.74Å; H586-D604 IonicContact CE1-OD1 3.93Å; H586-D604 IonicContact CE1-OD2 3.73Å; H586-D604 PolarHBondContact CE1-OD2 3.12Å; H586-D604 VanDerWaalsContact CE1-OD2 3.3Å; H586-D604 VanDerWaalsContact NE2-CG 3.3Å; H586-D604 IonicContact NE2-OD1 2.82Å; H586-D604 PolarHBondContact NE2-OD1 2.03Å; H586-D604 IonicContact NE2-OD2 2.75Å; H586-D604 PolarHBondContact NE2-OD2 3.22Å; V597-D604 HydrophobicContact CG1-CB 4.31Å; V600-D604 HydrophobicContact CG1-CB 4.24Å; T601-D604 PolarHBondContact N-OD2 3.09Å; T601-D604 WeakPolarHBondContact O-CB 3.03Å; T601-D604 PolarHBondContact O-N 3.04Å; T601-D604 PolarHBondContact OG1-OD2 2.03Å; P602-D604 VanDerWaalsContact C-N 3.3Å; D604-Y608 WeakPolarHBondContact O-CE2 3.46Å; D604-Y608 PolarHBondContact O-OH 3.32Å; D604-L625 HydrophobicContact CB-CD2 4.3Å
605	A	88.6	Confident	89.9	Confident	38 Å²	38	43.5 Å²	43.5	31%	0.314	24%	0.24	S	C	.	.			trans	-64.9	143.2	175.8	0	0	0	0	0	111.6	P602 Q603 L625 V627	P602-A605 WeakPolarHBondContact O-CB 3.42Å; Q603-A605 VanDerWaalsContact C-N 3.3Å; A605-L625 VanDerWaalsContact CA-O 3.29Å; A605-L625 WeakPolarHBondContact CA-O 3.22Å; A605-V627 HydrophobicContact CB-CG2 4.05Å
606	G	90.6	Very high	88.9	Confident	13 Å²	13	46 Å²	46	13%	0.134	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138.5	-163.2	179.4	0	0	0	0	0	113.4	E624 L625	G606-E624 WeakPolarHBondContact O-CA 3.42Å; G606-L625 PolarHBondContact N-O 2.87Å; G606-L625 PolarHBondContact O-N 2.8Å
607	F	92.7	Very high	88.3	Confident	103 Å²	103	43.8 Å²	43.8	45%	0.452	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.9	-174	-66.3	-78.6	0	0	0	111.6	F575 N576 V623 E624	F575-F607 CarbonylContact C-O 3.54Å; F575-F607 WeakPolarHBondContact CA-O 3.18Å; N576-F607 PolarHBondContact N-O 3.03Å; N576-F607 PolarHBondContact OD1-N 3.29Å; F607-V623 CarbonylContact C-O 3.52Å; F607-V623 WeakPolarHBondContact CA-O 3.48Å; F607-E624 HydrophobicContact CD1-CB 4.31Å; F607-E624 HydrophobicContact CE1-CB 4.14Å; F607-E624 HydrophobicContact CE1-CG 4.3Å
608	Y	94.3	Very high	87.9	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.3	171.1	-70.1	-97.3	0	0	0	109.3	F559 L574 F575 I580 F587 L595 V597 D604 D622 V623 L625	F559-Y608 HydrophobicContact CE2-CD2 4.08Å; F559-Y608 HydrophobicContact CE2-CE2 4.4Å; F559-Y608 HydrophobicContact CE2-CG 4.16Å; F559-Y608 HydrophobicContact CZ-CD2 4.26Å; L574-Y608 CarbonylContact O-C 3.49Å; L574-Y608 VanDerWaalsContact O-CA 3.3Å; L574-Y608 WeakPolarHBondContact O-CA 3.35Å; F575-Y608 HydrophobicContact CB-CD1 4.46Å; F575-Y608 HydrophobicContact CB-CE1 4.29Å; F575-Y608 HydrophobicContact CD2-CD1 4.24Å; F575-Y608 HydrophobicContact CD2-CD2 4.18Å; F575-Y608 AromaticContact CD2-CE1 3.81Å; F575-Y608 HydrophobicContact CD2-CE1 3.81Å; F575-Y608 AromaticContact CD2-CE2 3.7Å; F575-Y608 HydrophobicContact CD2-CE2 3.7Å; F575-Y608 HydrophobicContact CD2-CG 4.42Å; F575-Y608 AromaticContact CD2-CZ 3.5Å; F575-Y608 AromaticContact CE2-CE2 3.82Å; F575-Y608 HydrophobicContact CE2-CE2 3.82Å; F575-Y608 AromaticContact CE2-CZ 3.81Å; F575-Y608 HydrophobicContact CG-CE1 4.31Å; I580-Y608 HydrophobicContact CD1-CD1 3.85Å; I580-Y608 HydrophobicContact CD1-CE1 3.97Å; F587-Y608 AromaticContact CE1-CE1 3.87Å; F587-Y608 HydrophobicContact CE1-CE1 3.87Å; L595-Y608 HydrophobicContact CD2-CD1 3.4Å; L595-Y608 HydrophobicContact CD2-CE1 3.87Å; L595-Y608 HydrophobicContact CD2-CG 4.34Å; V597-Y608 HydrophobicContact CG2-CE1 3.86Å; D604-Y608 WeakPolarHBondContact O-CE2 3.46Å; D604-Y608 PolarHBondContact O-OH 3.32Å; Y608-D622 WeakPolarHBondContact O-CA 3.28Å; Y608-V623 PolarHBondContact N-O 2.81Å; Y608-V623 WeakPolarHBondContact O-CG2 3.28Å; Y608-V623 PolarHBondContact O-N 3.08Å; Y608-L625 HydrophobicContact CD2-CB 3.93Å; Y608-L625 HydrophobicContact CE2-CB 3.59Å; Y608-L625 HydrophobicContact CE2-CD2 3.8Å; Y608-L625 HydrophobicContact CE2-CG 4.35Å
609	T	94.3	Very high	87.9	Confident	14 Å²	14	46.7 Å²	46.7	9%	0.086	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.7	179.7	-48.1	0	0	0	0	109.5	W573 L574 V621 D622	W573-T609 CarbonylContact C-O 3.44Å; W573-T609 VanDerWaalsContact CA-O 3.28Å; W573-T609 WeakPolarHBondContact CA-O 3.39Å; L574-T609 HydrophobicContact CD1-CG2 4.19Å; L574-T609 PolarHBondContact N-O 2.87Å; L574-T609 PolarHBondContact O-N 3.3Å; T609-V621 CarbonylContact C-O 3.52Å; T609-V621 WeakPolarHBondContact CA-O 3.36Å; T609-D622 WeakPolarHBondContact CB-OD1 3.3Å; T609-D622 WeakPolarHBondContact CG2-OD1 3.48Å; T609-D622 PolarHBondContact OG1-OD1 2.67Å
610	C	94.5	Very high	88.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.6	164.1	-174.6	0	0	0	0	109.7	P546 C561 I571 W573 S620 V621	P546-C610 HydrophobicContact CG-CB 4.24Å; C561-C610 HydrophobicContact CB-CB 3.8Å; C561-C610 WeakPolarHBondContact CB-SG 3.46Å; C561-C610 WeakPolarHBondContact SG-CB 3.33Å; C561-C610 CovalentContact SG-SG 2.02Å; C561-C610 PolarHBondContact SG-SG 2.74Å; I571-C610 VanDerWaalsContact CG2-SG 3.58Å; W573-C610 HydrophobicContact CD2-CB 4.21Å; W573-C610 HydrophobicContact CE3-CB 4.17Å; W573-C610 HydrophobicContact CH2-CB 3.69Å; W573-C610 HydrophobicContact CZ2-CB 3.75Å; W573-C610 HydrophobicContact CZ3-CB 3.91Å; C610-S620 CarbonylContact O-C 3.58Å; C610-S620 WeakPolarHBondContact O-CA 3.23Å; C610-V621 HydrophobicContact CB-CG1 4.13Å; C610-V621 PolarHBondContact N-O 2.72Å; C610-V621 PolarHBondContact O-N 3.43Å
611	Q	92.4	Very high	88.2	Confident	61 Å²	61	50.2 Å²	50.2	29%	0.285	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.4	179.8	-172.4	-179.2	18.2	0	0	110.9	I571 T572 T613 I619	I571-Q611 CarbonylContact C-O 3.59Å; I571-Q611 VanDerWaalsContact CA-O 3.3Å; I571-Q611 WeakPolarHBondContact CA-O 2.76Å; T572-Q611 PolarHBondContact N-O 2.97Å; T572-Q611 PolarHBondContact O-N 2.75Å; Q611-T613 HydrophobicContact CG-CG2 4.03Å; Q611-I619 CarbonylContact C-O 3.5Å; Q611-I619 VanDerWaalsContact CA-O 3.3Å; Q611-I619 WeakPolarHBondContact CA-O 3.45Å
612	G	92.5	Very high	88.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.1	174.5	0	0	0	0	0	111.8	R570 A618 I619	R570-G612 CarbonylContact O-C 3.44Å; R570-G612 VanDerWaalsContact O-CA 3.32Å; R570-G612 WeakPolarHBondContact O-CA 3.37Å; G612-A618 CarbonylContact O-C 3.42Å; G612-A618 WeakPolarHBondContact O-CA 3.47Å; G612-I619 PolarHBondContact N-O 3.04Å; G612-I619 PolarHBondContact O-N 3.31Å
613	T	90.2	Very high	88.9	Confident	45 Å²	45	48.6 Å²	48.6	28%	0.276	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.8	-175.1	59.6	0	0	0	0	112.6	P569 R570 Q611 A618	P569-T613 CarbonylContact C-O 3.59Å; P569-T613 WeakPolarHBondContact CA-O 3.41Å; R570-T613 PolarHBondContact N-O 3.34Å; R570-T613 PolarHBondContact O-N 3.36Å; Q611-T613 HydrophobicContact CG-CG2 4.03Å; T613-A618 HydrophobicContact CG2-CB 3.8Å
614	N	85.7	Confident	89.2	Confident	23 Å²	23	46.3 Å²	46.3	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	-178	165.5	72.2	3.7	0	0	0	109.6	M538 P540 P567 P569 V616 G617	M538-N614 PolarHBondContact O-ND2 3.17Å; P540-N614 WeakPolarHBondContact CD-OD1 3.42Å; P540-N614 HydrophobicContact CG-CB 4.22Å; P540-N614 WeakPolarHBondContact CG-OD1 3.38Å; P567-N614 VanDerWaalsContact O-CB 3.3Å; P567-N614 WeakPolarHBondContact O-CB 3.34Å; P567-N614 PolarHBondContact O-ND2 2.85Å; P569-N614 HydrophobicContact CB-CB 4.36Å; P569-N614 HydrophobicContact CG-CB 4.33Å; N614-V616 PolarHBondContact O-N 3.38Å; N614-V616 WeakPolarHBondContact OD1-CA 3.41Å; N614-V616 VanDerWaalsContact OD1-CB 3.32Å; N614-V616 WeakPolarHBondContact OD1-CB 3.44Å; N614-V616 PolarHBondContact OD1-N 3.42Å; N614-G617 PolarHBondContact N-O 3.15Å; N614-G617 PolarHBondContact O-N 2.86Å; N614-G617 PolarHBondContact OD1-N 2.9Å
615	D	81.1	Confident	89.3	Confident	153 Å²	153	45.8 Å²	45.8	82%	0.818	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-9.6	-178.5	-56.4	-22.6	0	0	0	114.2
616	V	72.7	Confident	89.2	Confident	53 Å²	53	49 Å²	49	32%	0.321	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-24	-176.6	-167.5	0	0	0	0	111.4	N537 P539 N614	N537-V616 HydrophobicContact CB-CG1 4.42Å; N537-V616 HydrophobicContact CB-CG2 3.76Å; P539-V616 HydrophobicContact CB-CB 4.47Å; P539-V616 HydrophobicContact CB-CG1 4.05Å; N614-V616 PolarHBondContact O-N 3.38Å; N614-V616 WeakPolarHBondContact OD1-CA 3.41Å; N614-V616 VanDerWaalsContact OD1-CB 3.32Å; N614-V616 WeakPolarHBondContact OD1-CB 3.44Å; N614-V616 PolarHBondContact OD1-N 3.42Å
617	G	79.5	Confident	88.9	Confident	30 Å²	30	49.6 Å²	49.6	31%	0.309	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-171.9	179.5	0	0	0	0	0	114.7	P540 N614	P540-G617 VanDerWaalsContact CG-O 3.27Å; P540-G617 WeakPolarHBondContact CG-O 3.18Å; N614-G617 PolarHBondContact N-O 3.15Å; N614-G617 PolarHBondContact O-N 2.86Å; N614-G617 PolarHBondContact OD1-N 2.9Å
618	A	85.2	Confident	87.7	Confident	68 Å²	68	47.7 Å²	47.7	56%	0.562	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.5	177.5	0	0	0	0	0	110.2	G612 T613	G612-A618 CarbonylContact O-C 3.42Å; G612-A618 WeakPolarHBondContact O-CA 3.47Å; T613-A618 HydrophobicContact CG2-CB 3.8Å
619	I	90.2	Very high	85.9	Confident	48 Å²	48	50.5 Å²	50.5	25%	0.246	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.4	173.5	-160.4	174.8	0	0	0	109.2	P540 F542 V563 Q611 G612	P540-I619 HydrophobicContact CB-CB 4.4Å; P540-I619 HydrophobicContact CB-CG2 3.82Å; F542-I619 HydrophobicContact CD2-CD1 3.38Å; F542-I619 HydrophobicContact CD2-CG1 3.89Å; F542-I619 HydrophobicContact CD2-CG2 4.4Å; F542-I619 HydrophobicContact CE1-CG2 4.26Å; F542-I619 HydrophobicContact CE2-CB 4.3Å; F542-I619 HydrophobicContact CE2-CD1 3.57Å; F542-I619 HydrophobicContact CE2-CG1 3.49Å; F542-I619 VanDerWaalsContact CE2-CG1 3.49Å; F542-I619 HydrophobicContact CE2-CG2 4.01Å; F542-I619 HydrophobicContact CG-CD1 4.21Å; F542-I619 HydrophobicContact CZ-CD1 4.49Å; F542-I619 HydrophobicContact CZ-CG1 4.17Å; F542-I619 HydrophobicContact CZ-CG2 3.9Å; V563-I619 HydrophobicContact CG1-CG2 3.9Å; Q611-I619 CarbonylContact C-O 3.5Å; Q611-I619 VanDerWaalsContact CA-O 3.3Å; Q611-I619 WeakPolarHBondContact CA-O 3.45Å; G612-I619 PolarHBondContact N-O 3.04Å; G612-I619 PolarHBondContact O-N 3.31Å
620	S	92	Very high	83.1	Confident	75 Å²	75	58.1 Å²	58.1	52%	0.524	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.3	176.4	57	0	0	0	0	111.8	C610	C610-S620 CarbonylContact O-C 3.58Å; C610-S620 WeakPolarHBondContact O-CA 3.23Å
621	V	91.4	Very high	80.4	Confident	38 Å²	38	64.8 Å²	64.8	23%	0.23	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	131.2	173.6	62.3	0	0	0	0	109.5	F542 P546 T609 C610	F542-V621 HydrophobicContact CD1-CG1 4.49Å; F542-V621 HydrophobicContact CE1-CG1 3.73Å; F542-V621 HydrophobicContact CE2-CB 3.7Å; F542-V621 HydrophobicContact CE2-CG1 3.74Å; F542-V621 HydrophobicContact CZ-CB 3.73Å; F542-V621 HydrophobicContact CZ-CG1 3.31Å; P546-V621 HydrophobicContact CG-CG1 3.72Å; T609-V621 CarbonylContact C-O 3.52Å; T609-V621 WeakPolarHBondContact CA-O 3.36Å; C610-V621 HydrophobicContact CB-CG1 4.13Å; C610-V621 PolarHBondContact N-O 2.72Å; C610-V621 PolarHBondContact O-N 3.43Å
622	D	91.3	Very high	77.4	Confident	99 Å²	99	67.1 Å²	67.1	53%	0.529	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.3	176.3	-64.7	-26.8	0	0	0	110	Y608 T609	Y608-D622 WeakPolarHBondContact O-CA 3.28Å; T609-D622 WeakPolarHBondContact CB-OD1 3.3Å; T609-D622 WeakPolarHBondContact CG2-OD1 3.48Å; T609-D622 PolarHBondContact OG1-OD1 2.67Å
623	V	92.2	Very high	74.6	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.03	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.5	172.2	-65.2	0	0	0	0	109.9	P546 F559 W573 F607 Y608	P546-V623 HydrophobicContact CB-CG1 3.89Å; P546-V623 HydrophobicContact CB-CG2 4.11Å; P546-V623 HydrophobicContact CG-CG1 3.78Å; P546-V623 HydrophobicContact CG-CG2 4.24Å; P546-V623 WeakPolarHBondContact O-CG1 3.34Å; F559-V623 HydrophobicContact CD1-CB 4.5Å; F559-V623 HydrophobicContact CD1-CG2 3.59Å; F559-V623 HydrophobicContact CE1-CB 4.42Å; F559-V623 HydrophobicContact CE1-CG2 3.73Å; F559-V623 HydrophobicContact CG-CG2 4.28Å; W573-V623 HydrophobicContact CZ3-CG2 4.45Å; F607-V623 CarbonylContact C-O 3.52Å; F607-V623 WeakPolarHBondContact CA-O 3.48Å; Y608-V623 PolarHBondContact N-O 2.81Å; Y608-V623 WeakPolarHBondContact O-CG2 3.28Å; Y608-V623 PolarHBondContact O-N 3.08Å
624	E	92.7	Very high	71.8	Confident	94 Å²	94	77 Å²	77	44%	0.439	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.6	-177.1	-170	171.8	-166.8	0	0	110.3	S548 L549 G606 F607	S548-E624 CarbonylContact C-O 3.54Å; S548-E624 VanDerWaalsContact CA-O 3.23Å; S548-E624 WeakPolarHBondContact CA-O 3.33Å; S548-E624 WeakPolarHBondContact CB-O 3.35Å; S548-E624 PolarHBondContact OG-N 2.88Å; S548-E624 VanDerWaalsContact OG-N 3.1Å; L549-E624 PolarHBondContact N-O 3.02Å; G606-E624 WeakPolarHBondContact O-CA 3.42Å; F607-E624 HydrophobicContact CD1-CB 4.31Å; F607-E624 HydrophobicContact CE1-CB 4.14Å; F607-E624 HydrophobicContact CE1-CG 4.3Å
625	L	91.7	Very high	69.3	Low	2 Å²	2	79.8 Å²	79.8	1%	0.01	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112	166.1	-176.3	56.5	0	0	0	108.7	L549 I551 A557 F559 V600 D604 A605 G606 Y608 V627	L549-L625 HydrophobicContact CB-CD1 4.28Å; L549-L625 HydrophobicContact CD2-CD1 4.33Å; L549-L625 HydrophobicContact CG-CD1 4.41Å; L549-L625 WeakPolarHBondContact O-CA 3.23Å; I551-L625 HydrophobicContact CG2-CD1 3.78Å; A557-L625 HydrophobicContact CB-CD1 3.79Å; A557-L625 HydrophobicContact CB-CD2 4.11Å; F559-L625 HydrophobicContact CZ-CB 3.97Å; F559-L625 HydrophobicContact CZ-CD1 4.04Å; F559-L625 HydrophobicContact CZ-CG 4.42Å; V600-L625 HydrophobicContact CG1-CD2 4.04Å; V600-L625 HydrophobicContact CG2-CD2 4.29Å; D604-L625 HydrophobicContact CB-CD2 4.3Å; A605-L625 VanDerWaalsContact CA-O 3.29Å; A605-L625 WeakPolarHBondContact CA-O 3.22Å; G606-L625 PolarHBondContact N-O 2.87Å; G606-L625 PolarHBondContact O-N 2.8Å; Y608-L625 HydrophobicContact CD2-CB 3.93Å; Y608-L625 HydrophobicContact CE2-CB 3.59Å; Y608-L625 HydrophobicContact CE2-CD2 3.8Å; Y608-L625 HydrophobicContact CE2-CG 4.35Å; L625-V627 HydrophobicContact CG-CG2 4.4Å
626	E	86.9	Confident	66.8	Low	106 Å²	106	84.7 Å²	84.7	50%	0.495	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.4	173.9	-171.2	-175.1	-169	0	0	109.6	L549 T550 I551	L549-E626 PolarHBondContact O-N 3.32Å; T550-E626 CarbonylContact C-O 3.53Å; T550-E626 WeakPolarHBondContact CA-O 3.37Å; T550-E626 HydrophobicContact CG2-CB 4.24Å; T550-E626 HydrophobicContact CG2-CG 4.33Å; T550-E626 WeakPolarHBondContact CG2-OE2 3.41Å; T550-E626 PolarHBondContact OG1-OE2 2.97Å; I551-E626 PolarHBondContact N-O 2.75Å
627	V	83.3	Confident	65.2	Low	25 Å²	25	91.7 Å²	91.7	15%	0.152	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.8	178.8	-175.7	0	0	0	0	108.9	I551 A553 V600 A605 L625 G629	I551-V627 WeakPolarHBondContact O-CA 3.26Å; A553-V627 HydrophobicContact CB-CG1 4.07Å; V600-V627 HydrophobicContact CG1-CG1 4.36Å; V600-V627 HydrophobicContact CG1-CG2 3.43Å; V600-V627 VanDerWaalsContact CG1-CG2 3.43Å; A605-V627 HydrophobicContact CB-CG2 4.05Å; L625-V627 HydrophobicContact CG-CG2 4.4Å; V627-G629 PolarHBondContact O-N 3.4Å; V627-G629 VanDerWaalsContact O-N 3.15Å
628	V	68	Low	63.1	Low	63 Å²	63	94 Å²	94	38%	0.382	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.2	104	-175	-176.8	0	0	0	0	109.9	T550 I551	T550-V628 HydrophobicContact CG2-CB 4.45Å; T550-V628 HydrophobicContact CG2-CG2 3.09Å; I551-V628 PolarHBondContact O-N 2.75Å
629	G	55.9	Low	60.8	Low	59 Å²	59	100.3 Å²	100.3	61%	0.608	58%	0.582	S	S	*	*			trans	-74.5	140.4	151.3	0	0	0	0	0	109.3	V627 V631	V627-G629 PolarHBondContact O-N 3.4Å; V627-G629 VanDerWaalsContact O-N 3.15Å; G629-V631 PolarHBondContact O-N 2.83Å
630	L	35.9	Very low	58.7	Low	174 Å²	174	107 Å²	107	91%	0.911	61%	0.61	S	S	*	*	S	Bend	trans	-50.5	131.9	177	-71.2	160.6	0	0	0	110.5
631	V	36.6	Very low	56.4	Low	139 Å²	139	106.3 Å²	106.3	84%	0.842	60%	0.603	S	S	*	*			trans	113.7	107.7	165.2	-169.9	0	0	0	0	116.2	G629	G629-V631 PolarHBondContact O-N 2.83Å
632	S	30.9	Very low	54.6	Low	110 Å²	110	109.6 Å²	109.6	77%	0.769	62%	0.624	S	S	*	*			trans	-78.7	158	165.7	-54.5	0	0	0	0	112.3
633	P	33.9	Very low	53.2	Low	110 Å²	110	105.6 Å²	105.6	71%	0.714	60%	0.602	S	S	*	*				-156.7	147.6	96.4	38.6	-18.3	0	0	0	117.8
634	T	30.1	Very low	52.1	Low	144 Å²	144	110.2 Å²	110.2	88%	0.883	63%	0.627	S	S	*	*			trans	37.5	127.3	138.8	63.4	0	0	0	0	122.9
635	G	33.5	Very low	51.4	Low	80 Å²	80	107.7 Å²	107.7	83%	0.825	62%	0.622	S	S	*	*			trans	175	101.4	152.1	0	0	0	0	0	115.4
636	R	29.4	Very low	51	Low	257 Å²	257	111 Å²	111	97%	0.97	64%	0.64	S	S	*	*			trans	-91.6	128.1	170.3	-78.9	179.7	176.3	175.5	-1.5	110.2
637	H	39.6	Very low	50.8	Low	200 Å²	200	107.1 Å²	107.1	93%	0.926	62%	0.622	S	S	*	*			trans	-111.1	133.3	164.2	-91.1	-71.8	0	0	0	110.3
638	G	34.6	Very low	51	Low	79 Å²	79	105.9 Å²	105.9	81%	0.814	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-80	148.4	-165.3	0	0	0	0	0	116.8
639	Q	37.6	Very low	52.1	Low	199 Å²	199	106.4 Å²	106.4	93%	0.93	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-75.3	136.9	174.2	-82.3	170.9	-29	0	0	112.2
640	K	44.9	Very low	53.7	Low	189 Å²	189	109 Å²	109	82%	0.822	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-70	143.3	167.9	-76	177.8	176.7	177.3	0	110.3
641	P	43.4	Very low	56.3	Low	60 Å²	60	100.7 Å²	100.7	39%	0.39	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-68	132.4	176.2	25.6	-31.7	0	0	0	111.8	L721 F725	P641-L721 HydrophobicContact CB-CD2 3.8Å; P641-L721 HydrophobicContact CG-CD2 3.57Å; P641-F725 HydrophobicContact CG-CZ 4.06Å
642	T	54	Low	59	Low	107 Å²	107	94.4 Å²	94.4	66%	0.656	53%	0.526	S	S	*	.			trans	-115	142.5	177.4	51.7	0	0	0	0	110.3
643	I	63.2	Low	62	Low	15 Å²	15	95.3 Å²	95.3	8%	0.077	52%	0.518	C	S	.	.			trans	-58.1	139.3	166.9	-66.1	-179.4	0	0	0	109.6	L647 I648 V709 V713 V730 L731 H735	I643-L647 HydrophobicContact CG2-CB 4.03Å; I643-L647 HydrophobicContact CG2-CD2 3.61Å; I643-L647 HydrophobicContact CG2-CG 4.37Å; I643-I648 HydrophobicContact CG2-CD1 4.29Å; I643-I648 HydrophobicContact CG2-CG1 4.43Å; I643-V709 HydrophobicContact CD1-CG1 4.19Å; I643-V713 HydrophobicContact CD1-CG2 4.41Å; I643-V730 HydrophobicContact CD1-CB 4.34Å; I643-V730 HydrophobicContact CD1-CG1 3.33Å; I643-V730 WeakPolarHBondContact CD1-O 3.45Å; I643-L731 HydrophobicContact CD1-CD2 4.43Å; I643-H735 PolarHBondContact O-CE1 3.15Å; I643-H735 PolarHBondContact O-NE2 3.27Å
644	D	68.8	Low	64.9	Low	102 Å²	102	93.5 Å²	93.5	55%	0.545	50%	0.5	S	S	.	.			trans	-68.8	135.1	175.8	-168.1	-17.2	0	0	0	110.4	D646 L647	D644-D646 PolarHBondContact O-N 3.47Å; D644-D646 VanDerWaalsContact O-N 3.15Å; D644-D646 PolarHBondContact OD1-N 2.98Å; D644-L647 WeakPolarHBondContact O-CB 3.44Å; D644-L647 PolarHBondContact O-N 3.24Å
645	A	77.9	Confident	68	Low	41 Å²	41	86.6 Å²	86.6	34%	0.339	46%	0.458	S	S	.	.	H	α-helix	trans	-54	-30.7	172.5	0	0	0	0	0	111.8	L647 I648 H649 L738	A645-L647 VanDerWaalsContact C-N 3.32Å; A645-L647 PolarHBondContact O-N 3.37Å; A645-I648 WeakPolarHBondContact O-CB 3.48Å; A645-I648 PolarHBondContact O-N 2.88Å; A645-I648 VanDerWaalsContact O-N 3.1Å; A645-H649 PolarHBondContact O-CD2 3.19Å; A645-H649 PolarHBondContact O-N 3.28Å; A645-L738 HydrophobicContact CB-CD2 3.96Å
646	D	82.4	Confident	71	Confident	73 Å²	73	84.5 Å²	84.5	39%	0.39	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-37.8	175.1	-179.6	61.7	0	0	0	113.1	D644 I648 H649 K650	D644-D646 PolarHBondContact O-N 3.47Å; D644-D646 VanDerWaalsContact O-N 3.15Å; D644-D646 PolarHBondContact OD1-N 2.98Å; D646-I648 VanDerWaalsContact C-N 3.32Å; D646-I648 PolarHBondContact O-N 3.01Å; D646-H649 PolarHBondContact O-N 3.36Å; D646-K650 WeakPolarHBondContact O-CB 3.15Å; D646-K650 WeakPolarHBondContact O-CG 3.28Å; D646-K650 PolarHBondContact O-N 3.11Å; D646-K650 WeakPolarHBondContact OD1-CE 3.45Å; D646-K650 IonicContact OD1-NZ 2.97Å; D646-K650 WeakPolarHBondContact OD2-CE 3.49Å; D646-K650 IonicContact OD2-NZ 3.59Å; D646-K650 PolarHBondContact OD2-NZ 3.25Å
647	L	83.3	Confident	74.2	Confident	23 Å²	23	76.8 Å²	76.8	12%	0.12	41%	0.41	C	S	.	.	H	α-helix	trans	-65.2	-39.5	174.6	-177.9	71.3	0	0	0	111.2	I643 D644 A645 K650 S651 H712 F719	I643-L647 HydrophobicContact CG2-CB 4.03Å; I643-L647 HydrophobicContact CG2-CD2 3.61Å; I643-L647 HydrophobicContact CG2-CG 4.37Å; D644-L647 WeakPolarHBondContact O-CB 3.44Å; D644-L647 PolarHBondContact O-N 3.24Å; A645-L647 VanDerWaalsContact C-N 3.32Å; A645-L647 PolarHBondContact O-N 3.37Å; L647-K650 PolarHBondContact O-N 3.04Å; L647-S651 VanDerWaalsContact O-CB 3.31Å; L647-S651 WeakPolarHBondContact O-CB 3.49Å; L647-S651 PolarHBondContact O-N 3.44Å; L647-S651 PolarHBondContact O-OG 2.81Å; L647-H712 HydrophobicContact CD1-CB 4.26Å; L647-H712 HydrophobicContact CD2-CB 4.47Å; L647-F719 HydrophobicContact CD2-CZ 3.83Å
648	I	86.9	Confident	76.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-49.4	177.2	-59.6	-57.9	0	0	0	109.8	I643 A645 D646 K650 S651 V652 V709 L731 H735 L738 I739 L742	I643-I648 HydrophobicContact CG2-CD1 4.29Å; I643-I648 HydrophobicContact CG2-CG1 4.43Å; A645-I648 WeakPolarHBondContact O-CB 3.48Å; A645-I648 PolarHBondContact O-N 2.88Å; A645-I648 VanDerWaalsContact O-N 3.1Å; D646-I648 VanDerWaalsContact C-N 3.32Å; D646-I648 PolarHBondContact O-N 3.01Å; I648-K650 VanDerWaalsContact C-N 3.35Å; I648-K650 PolarHBondContact O-N 3.41Å; I648-S651 PolarHBondContact O-N 3.33Å; I648-V652 HydrophobicContact CG2-CG2 4.38Å; I648-V652 WeakPolarHBondContact O-CG2 3.33Å; I648-V652 PolarHBondContact O-N 3.01Å; I648-V709 HydrophobicContact CD1-CG2 3.86Å; I648-L731 HydrophobicContact CD1-CD2 3.65Å; I648-H735 HydrophobicContact CD1-CB 4.42Å; I648-H735 HydrophobicContact CG1-CB 4.45Å; I648-L738 HydrophobicContact CB-CD2 4.13Å; I648-L738 HydrophobicContact CG2-CD2 3.93Å; I648-L738 HydrophobicContact CG2-CG 4.1Å; I648-I739 HydrophobicContact CD1-CD1 4.26Å; I648-I739 HydrophobicContact CD1-CG1 4.47Å; I648-I739 HydrophobicContact CG2-CD1 4.42Å; I648-I739 HydrophobicContact CG2-CG1 3.52Å; I648-L742 HydrophobicContact CG2-CD1 4.3Å
649	H	90.5	Very high	79.7	Confident	73 Å²	73	64.6 Å²	64.6	34%	0.338	33%	0.333	S	S	.	.	H	α-helix	trans	-56.5	-46.2	176.5	-78.2	-76.1	0	0	0	112.4	A645 D646 V652 Q653 L742	A645-H649 PolarHBondContact O-CD2 3.19Å; A645-H649 PolarHBondContact O-N 3.28Å; D646-H649 PolarHBondContact O-N 3.36Å; H649-V652 PolarHBondContact O-N 3.06Å; H649-Q653 WeakPolarHBondContact O-CB 3.45Å; H649-Q653 VanDerWaalsContact O-CG 3.31Å; H649-Q653 WeakPolarHBondContact O-CG 3.4Å; H649-Q653 PolarHBondContact O-N 3.48Å; H649-L742 WeakPolarHBondContact ND1-CD1 3.16Å
650	K	89.6	Confident	82.5	Confident	113 Å²	113	57 Å²	57	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-41.7	177.1	-74.3	170.3	178.8	166.5	0	112.4	D646 L647 I648 Q653 Q654	D646-K650 WeakPolarHBondContact O-CB 3.15Å; D646-K650 WeakPolarHBondContact O-CG 3.28Å; D646-K650 PolarHBondContact O-N 3.11Å; D646-K650 WeakPolarHBondContact OD1-CE 3.45Å; D646-K650 IonicContact OD1-NZ 2.97Å; D646-K650 WeakPolarHBondContact OD2-CE 3.49Å; D646-K650 IonicContact OD2-NZ 3.59Å; D646-K650 PolarHBondContact OD2-NZ 3.25Å; L647-K650 PolarHBondContact O-N 3.04Å; I648-K650 VanDerWaalsContact C-N 3.35Å; I648-K650 PolarHBondContact O-N 3.41Å; K650-Q653 PolarHBondContact O-N 2.9Å; K650-Q654 WeakPolarHBondContact O-CB 3.4Å; K650-Q654 PolarHBondContact O-N 3.18Å
651	S	91.2	Very high	84.8	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-41.6	178.5	-57.4	0	0	0	0	111.2	L647 I648 Q654 A655 L708	L647-S651 VanDerWaalsContact O-CB 3.31Å; L647-S651 WeakPolarHBondContact O-CB 3.49Å; L647-S651 PolarHBondContact O-N 3.44Å; L647-S651 PolarHBondContact O-OG 2.81Å; I648-S651 PolarHBondContact O-N 3.33Å; S651-Q654 PolarHBondContact O-N 3.35Å; S651-A655 VanDerWaalsContact O-CB 3.32Å; S651-A655 WeakPolarHBondContact O-CB 3.38Å; S651-A655 PolarHBondContact O-N 3.11Å; S651-L708 WeakPolarHBondContact O-CD1 3.45Å
652	V	93.4	Very high	87.3	Confident	8 Å²	8	50.2 Å²	50.2	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-43.4	175.6	173.5	0	0	0	0	111.4	I648 H649 Q654 A655 T656 T705 L742 T743	I648-V652 HydrophobicContact CG2-CG2 4.38Å; I648-V652 WeakPolarHBondContact O-CG2 3.33Å; I648-V652 PolarHBondContact O-N 3.01Å; H649-V652 PolarHBondContact O-N 3.06Å; V652-Q654 PolarHBondContact O-N 2.84Å; V652-A655 PolarHBondContact O-N 3.08Å; V652-T656 VanDerWaalsContact O-CB 3.31Å; V652-T656 WeakPolarHBondContact O-CB 3.48Å; V652-T656 PolarHBondContact O-N 3.15Å; V652-T656 PolarHBondContact O-OG1 2.78Å; V652-T705 HydrophobicContact CB-CG2 4.46Å; V652-T705 HydrophobicContact CG2-CG2 3.52Å; V652-L742 HydrophobicContact CB-CB 4.42Å; V652-L742 HydrophobicContact CG1-CB 3.91Å; V652-L742 HydrophobicContact CG2-CB 4.11Å; V652-L742 HydrophobicContact CG2-CD1 4.12Å; V652-T743 HydrophobicContact CG1-CG2 3.92Å; V652-T743 HydrophobicContact CG2-CG2 4.11Å
653	Q	95	Very high	89.1	Confident	128 Å²	128	45.3 Å²	45.3	60%	0.598	23%	0.23	S	C	*	.	H	α-helix	trans	-61.7	-43.5	177	-75.3	174.6	-6	0	0	111.9	H649 K650 T657	H649-Q653 WeakPolarHBondContact O-CB 3.45Å; H649-Q653 VanDerWaalsContact O-CG 3.31Å; H649-Q653 WeakPolarHBondContact O-CG 3.4Å; H649-Q653 PolarHBondContact O-N 3.48Å; K650-Q653 PolarHBondContact O-N 2.9Å; Q653-T657 PolarHBondContact O-N 3.18Å; Q653-T657 PolarHBondContact O-OG1 3.07Å
654	Q	94.7	Very high	90.3	Very high	72 Å²	72	48.4 Å²	48.4	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-48.9	175.7	-179.8	177.9	-14.3	0	0	111.1	K650 S651 V652 T656 T657 E658 L708	K650-Q654 WeakPolarHBondContact O-CB 3.4Å; K650-Q654 PolarHBondContact O-N 3.18Å; S651-Q654 PolarHBondContact O-N 3.35Å; V652-Q654 PolarHBondContact O-N 2.84Å; Q654-T656 VanDerWaalsContact C-N 3.33Å; Q654-T656 PolarHBondContact O-N 3.08Å; Q654-T657 PolarHBondContact O-N 3.49Å; Q654-E658 HydrophobicContact CG-CG 4.36Å; Q654-E658 WeakPolarHBondContact CG-OE1 3.47Å; Q654-E658 PolarHBondContact NE2-OE1 2.93Å; Q654-E658 WeakPolarHBondContact O-CG 3.38Å; Q654-E658 PolarHBondContact O-N 2.89Å; Q654-L708 HydrophobicContact CB-CD1 3.88Å; Q654-L708 HydrophobicContact CG-CD1 3.75Å; Q654-L708 HydrophobicContact CG-CD2 4.46Å
655	A	95.2	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-45.2	177.4	0	0	0	0	0	112	S651 V652 T657 E658 V659 I701 Q704 T705 L708	S651-A655 VanDerWaalsContact O-CB 3.32Å; S651-A655 WeakPolarHBondContact O-CB 3.38Å; S651-A655 PolarHBondContact O-N 3.11Å; V652-A655 PolarHBondContact O-N 3.08Å; A655-T657 VanDerWaalsContact C-N 3.35Å; A655-T657 PolarHBondContact O-N 3Å; A655-E658 PolarHBondContact O-N 3.44Å; A655-V659 WeakPolarHBondContact O-CB 3.24Å; A655-V659 VanDerWaalsContact O-CG2 3.28Å; A655-V659 WeakPolarHBondContact O-CG2 3.17Å; A655-V659 PolarHBondContact O-N 3.34Å; A655-I701 HydrophobicContact CB-CG2 4.01Å; A655-Q704 HydrophobicContact CB-CB 3.96Å; A655-Q704 HydrophobicContact CB-CG 3.83Å; A655-T705 WeakPolarHBondContact CB-OG1 3.38Å; A655-L708 HydrophobicContact CB-CD1 3.96Å
656	T	96.3	Very high	91.9	Very high	36 Å²	36	46.2 Å²	46.2	22%	0.221	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-48.2	177.6	-58.9	0	0	0	0	110.8	V652 Q654 E658 D660 I701	V652-T656 VanDerWaalsContact O-CB 3.31Å; V652-T656 WeakPolarHBondContact O-CB 3.48Å; V652-T656 PolarHBondContact O-N 3.15Å; V652-T656 PolarHBondContact O-OG1 2.78Å; Q654-T656 VanDerWaalsContact C-N 3.33Å; Q654-T656 PolarHBondContact O-N 3.08Å; T656-E658 VanDerWaalsContact C-N 3.35Å; T656-E658 PolarHBondContact O-N 3.13Å; T656-D660 WeakPolarHBondContact CG2-OD2 3.16Å; T656-D660 WeakPolarHBondContact O-CB 3.31Å; T656-D660 VanDerWaalsContact O-CG 3.24Å; T656-D660 PolarHBondContact O-N 3.39Å; T656-I701 HydrophobicContact CG2-CD1 4.21Å; T656-I701 WeakPolarHBondContact OG1-CG2 3.44Å
657	T	95.6	Very high	92	Very high	94 Å²	94	46.5 Å²	46.5	58%	0.577	22%	0.218	S	C	*	.	H	α-helix	trans	-62.2	-42.3	178.9	-56.5	0	0	0	0	111.9	Q653 Q654 A655 R661	Q653-T657 PolarHBondContact O-N 3.18Å; Q653-T657 PolarHBondContact O-OG1 3.07Å; Q654-T657 PolarHBondContact O-N 3.49Å; A655-T657 VanDerWaalsContact C-N 3.35Å; A655-T657 PolarHBondContact O-N 3Å; T657-R661 WeakPolarHBondContact O-CB 3.05Å; T657-R661 PolarHBondContact O-N 2.78Å; T657-R661 VanDerWaalsContact O-N 3.13Å
658	E	95.9	Very high	92	Very high	23 Å²	23	52.1 Å²	52.1	11%	0.107	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-45.4	-179.1	-72.5	175.5	175.9	0	0	112.5	Q654 A655 T656 A662 Q704	Q654-E658 HydrophobicContact CG-CG 4.36Å; Q654-E658 WeakPolarHBondContact CG-OE1 3.47Å; Q654-E658 PolarHBondContact NE2-OE1 2.93Å; Q654-E658 WeakPolarHBondContact O-CG 3.38Å; Q654-E658 PolarHBondContact O-N 2.89Å; A655-E658 PolarHBondContact O-N 3.44Å; T656-E658 VanDerWaalsContact C-N 3.35Å; T656-E658 PolarHBondContact O-N 3.13Å; E658-A662 WeakPolarHBondContact O-CB 3.36Å; E658-A662 PolarHBondContact O-N 2.64Å; E658-Q704 PolarHBondContact OE2-NE2 3.35Å
659	V	94.6	Very high	91.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-46.9	179	172.3	0	0	0	0	111	A655 R661 A662 I663 E700 I701 Q704 F863	A655-V659 WeakPolarHBondContact O-CB 3.24Å; A655-V659 VanDerWaalsContact O-CG2 3.28Å; A655-V659 WeakPolarHBondContact O-CG2 3.17Å; A655-V659 PolarHBondContact O-N 3.34Å; V659-R661 PolarHBondContact O-N 3.09Å; V659-A662 WeakPolarHBondContact O-CB 3.18Å; V659-A662 PolarHBondContact O-N 2.79Å; V659-A662 VanDerWaalsContact O-N 3.11Å; V659-I663 HydrophobicContact CG1-CD1 3.6Å; V659-I663 HydrophobicContact CG1-CG1 4.22Å; V659-I663 WeakPolarHBondContact O-CG1 3.32Å; V659-I663 PolarHBondContact O-N 2.8Å; V659-E700 HydrophobicContact CG1-CB 3.87Å; V659-E700 HydrophobicContact CG2-CB 4.23Å; V659-I701 HydrophobicContact CB-CG1 3.88Å; V659-I701 HydrophobicContact CG1-CG1 3.88Å; V659-I701 HydrophobicContact CG2-CG1 4.14Å; V659-Q704 HydrophobicContact CG2-CB 4.2Å; V659-Q704 HydrophobicContact CG2-CG 4.48Å; V659-F863 HydrophobicContact CB-CD1 4.27Å; V659-F863 HydrophobicContact CB-CE1 4.4Å; V659-F863 HydrophobicContact CG1-CE1 4.18Å; V659-F863 HydrophobicContact CG2-CB 4.49Å; V659-F863 HydrophobicContact CG2-CD1 3.82Å; V659-F863 HydrophobicContact CG2-CD2 4.45Å; V659-F863 HydrophobicContact CG2-CE1 4.1Å; V659-F863 HydrophobicContact CG2-CG 4.02Å
660	D	95.3	Very high	91.1	Very high	39 Å²	39	52.8 Å²	52.8	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-41.7	-179.7	-76.2	-17.5	0	0	0	112.5	T656 A662 I663 N664 R697	T656-D660 WeakPolarHBondContact CG2-OD2 3.16Å; T656-D660 WeakPolarHBondContact O-CB 3.31Å; T656-D660 VanDerWaalsContact O-CG 3.24Å; T656-D660 PolarHBondContact O-N 3.39Å; D660-A662 VanDerWaalsContact C-N 3.26Å; D660-A662 PolarHBondContact O-N 2.74Å; D660-I663 PolarHBondContact O-N 3.31Å; D660-N664 WeakPolarHBondContact O-CB 3.39Å; D660-N664 PolarHBondContact O-N 2.88Å; D660-N664 PolarHBondContact O-ND2 2.89Å; D660-R697 IonicContact OD1-CZ 3.75Å; D660-R697 IonicContact OD1-NE 2.9Å; D660-R697 PolarHBondContact OD1-NE 3.35Å; D660-R697 IonicContact OD1-NH2 3.43Å; D660-R697 PolarHBondContact OD1-NH2 2.67Å; D660-R697 IonicContact OD2-CZ 3.42Å; D660-R697 IonicContact OD2-NE 3.45Å; D660-R697 IonicContact OD2-NH2 2.87Å; D660-R697 PolarHBondContact OD2-NH2 2.95Å
661	R	94.8	Very high	90.3	Very high	107 Å²	107	49.6 Å²	49.6	40%	0.404	23%	0.229	S	C	.	.	H	α-helix	trans	-56.9	-44.4	173.3	172.6	178.5	47	76.3	1.8	111	T657 V659 W665 F863	T657-R661 WeakPolarHBondContact O-CB 3.05Å; T657-R661 PolarHBondContact O-N 2.78Å; T657-R661 VanDerWaalsContact O-N 3.13Å; V659-R661 PolarHBondContact O-N 3.09Å; R661-W665 WeakPolarHBondContact O-CB 3.44Å; R661-W665 PolarHBondContact O-N 3.35Å; R661-F863 PolarHBondContact NH2-O 2.84Å
662	A	93.9	Very high	89.4	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.7	-44.1	-177.1	0	0	0	0	0	112.4	E658 V659 D660 T666 S859 L861 F863	E658-A662 WeakPolarHBondContact O-CB 3.36Å; E658-A662 PolarHBondContact O-N 2.64Å; V659-A662 WeakPolarHBondContact O-CB 3.18Å; V659-A662 PolarHBondContact O-N 2.79Å; V659-A662 VanDerWaalsContact O-N 3.11Å; D660-A662 VanDerWaalsContact C-N 3.26Å; D660-A662 PolarHBondContact O-N 2.74Å; A662-T666 PolarHBondContact O-N 2.98Å; A662-T666 VanDerWaalsContact O-N 3.12Å; A662-T666 PolarHBondContact O-OG1 2.85Å; A662-S859 WeakPolarHBondContact CB-OG 3.42Å; A662-L861 HydrophobicContact CB-CB 4.03Å; A662-F863 HydrophobicContact CB-CD1 3.75Å; A662-F863 HydrophobicContact CB-CE1 4.14Å
663	I	91.8	Very high	88	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-47.8	174.4	-68.5	175.9	0	0	0	110.8	V659 D660 W665 T666 R667 Y687 L693 R697 P858	V659-I663 HydrophobicContact CG1-CD1 3.6Å; V659-I663 HydrophobicContact CG1-CG1 4.22Å; V659-I663 WeakPolarHBondContact O-CG1 3.32Å; V659-I663 PolarHBondContact O-N 2.8Å; D660-I663 PolarHBondContact O-N 3.31Å; I663-W665 VanDerWaalsContact C-N 3.34Å; I663-W665 PolarHBondContact O-N 3.35Å; I663-T666 WeakPolarHBondContact O-CB 2.89Å; I663-T666 PolarHBondContact O-N 2.89Å; I663-T666 VanDerWaalsContact O-N 3.11Å; I663-R667 HydrophobicContact CG2-CG 4.33Å; I663-R667 WeakPolarHBondContact O-CG 3.17Å; I663-R667 PolarHBondContact O-N 3.22Å; I663-Y687 WeakPolarHBondContact CG2-OH 3.18Å; I663-L693 HydrophobicContact CG2-CD1 4.47Å; I663-R697 HydrophobicContact CD1-CB 4.05Å; I663-R697 HydrophobicContact CD1-CG 3.89Å; I663-P858 HydrophobicContact CD1-CB 4.15Å; I663-P858 HydrophobicContact CD1-CG 3.6Å; I663-P858 HydrophobicContact CG1-CB 4.05Å; I663-P858 HydrophobicContact CG1-CG 3.83Å; I663-P858 HydrophobicContact CG2-CB 4.49Å
664	N	90.2	Very high	86.6	Confident	80 Å²	80	59 Å²	59	43%	0.428	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-39.2	-178.1	-74	-25	0	0	0	112	D660 T666 R667 Q668	D660-N664 WeakPolarHBondContact O-CB 3.39Å; D660-N664 PolarHBondContact O-N 2.88Å; D660-N664 PolarHBondContact O-ND2 2.89Å; N664-T666 VanDerWaalsContact C-N 3.34Å; N664-R667 PolarHBondContact O-N 3.31Å; N664-Q668 WeakPolarHBondContact O-CB 3.01Å; N664-Q668 VanDerWaalsContact O-CG 3.28Å; N664-Q668 WeakPolarHBondContact O-CG 3.25Å; N664-Q668 PolarHBondContact O-N 3.38Å
665	W	91.3	Very high	85.1	Confident	94 Å²	94	59.7 Å²	59.7	36%	0.356	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-44.7	172.4	-174.2	93.2	0	0	0	111.6	R661 I663 R667 Q668 R669 V860 L861	R661-W665 WeakPolarHBondContact O-CB 3.44Å; R661-W665 PolarHBondContact O-N 3.35Å; I663-W665 VanDerWaalsContact C-N 3.34Å; I663-W665 PolarHBondContact O-N 3.35Å; W665-R667 PolarHBondContact O-N 2Å; W665-Q668 PolarHBondContact O-N 3.09Å; W665-R669 WeakPolarHBondContact O-CB 3.41Å; W665-R669 PolarHBondContact O-N 2.94Å; W665-V860 HydrophobicContact CE3-CG2 4.22Å; W665-V860 HydrophobicContact CZ3-CG2 3.63Å; W665-L861 HydrophobicContact CB-CD1 3.74Å; W665-L861 HydrophobicContact CD2-CD1 3.62Å; W665-L861 HydrophobicContact CD2-CD2 4.11Å; W665-L861 HydrophobicContact CD2-CG 3.98Å; W665-L861 HydrophobicContact CE3-CD1 3.82Å; W665-L861 HydrophobicContact CE3-CD2 3.72Å; W665-L861 HydrophobicContact CE3-CG 3.61Å; W665-L861 HydrophobicContact CG-CD1 3.6Å; W665-L861 HydrophobicContact CG-CG 4.41Å; W665-L861 HydrophobicContact CH2-CD2 3.99Å; W665-L861 HydrophobicContact CZ2-CD2 4.39Å; W665-L861 HydrophobicContact CZ3-CD2 3.68Å; W665-L861 HydrophobicContact CZ3-CG 4.06Å
666	T	88.2	Confident	83.9	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-44.3	178.3	-56.2	0	0	0	0	111.1	A662 I663 N664 R669 L670 Y687 P858 S859 V860	A662-T666 PolarHBondContact O-N 2.98Å; A662-T666 VanDerWaalsContact O-N 3.12Å; A662-T666 PolarHBondContact O-OG1 2.85Å; I663-T666 WeakPolarHBondContact O-CB 2.89Å; I663-T666 PolarHBondContact O-N 2.89Å; I663-T666 VanDerWaalsContact O-N 3.11Å; N664-T666 VanDerWaalsContact C-N 3.34Å; T666-R669 PolarHBondContact O-N 2.77Å; T666-L670 HydrophobicContact CG2-CD1 3.93Å; T666-L670 HydrophobicContact CG2-CG 4.32Å; T666-L670 WeakPolarHBondContact O-CB 3.48Å; T666-L670 WeakPolarHBondContact O-CG 3.42Å; T666-L670 PolarHBondContact O-N 3.35Å; T666-Y687 HydrophobicContact CG2-CE2 4.43Å; T666-P858 WeakPolarHBondContact CG2-O 3.28Å; T666-S859 WeakPolarHBondContact OG1-CA 2.86Å; T666-V860 HydrophobicContact CG2-CG1 4.19Å; T666-V860 HydrophobicContact CG2-CG2 4.13Å; T666-V860 PolarHBondContact OG1-N 3.15Å; T666-V860 VanDerWaalsContact OG1-N 3.08Å
667	R	84.9	Confident	82.5	Confident	79 Å²	79	60 Å²	60	30%	0.298	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-47.5	174.1	-69.7	178.8	76.4	168.4	5.8	112	I663 N664 W665 R669 L670 Y671 Y687	I663-R667 HydrophobicContact CG2-CG 4.33Å; I663-R667 WeakPolarHBondContact O-CG 3.17Å; I663-R667 PolarHBondContact O-N 3.22Å; N664-R667 PolarHBondContact O-N 3.31Å; W665-R667 PolarHBondContact O-N 2Å; R667-R669 VanDerWaalsContact C-N 3.26Å; R667-R669 PolarHBondContact O-N 2.87Å; R667-L670 PolarHBondContact O-N 2.99Å; R667-Y671 HydrophobicContact CB-CD2 4.23Å; R667-Y671 WeakPolarHBondContact O-CB 3.3Å; R667-Y671 WeakPolarHBondContact O-CD2 3.45Å; R667-Y671 PolarHBondContact O-N 3.35Å; R667-Y687 WeakPolarHBondContact CD-OH 3.22Å; R667-Y687 HydrophobicContact CG-CE1 4.24Å; R667-Y687 HydrophobicContact CG-CE2 4.2Å; R667-Y687 WeakPolarHBondContact CG-OH 3.44Å
668	Q	83	Confident	80.9	Confident	142 Å²	142	55.5 Å²	55.5	66%	0.664	27%	0.265	S	S	*	.	H	α-helix	trans	-58.4	-41.2	178.6	-76.6	174.3	-4.7	0	0	111.5	N664 W665 S672	N664-Q668 WeakPolarHBondContact O-CB 3.01Å; N664-Q668 VanDerWaalsContact O-CG 3.28Å; N664-Q668 WeakPolarHBondContact O-CG 3.25Å; N664-Q668 PolarHBondContact O-N 3.38Å; W665-Q668 PolarHBondContact O-N 3.09Å; Q668-S672 WeakPolarHBondContact O-CB 3.24Å; Q668-S672 PolarHBondContact O-N 3.43Å; Q668-S672 VanDerWaalsContact O-N 3.15Å
669	R	81.5	Confident	79.5	Confident	77 Å²	77	54.8 Å²	54.8	29%	0.291	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-54.9	174.7	-178.5	178.6	179	144.5	5.2	111.9	W665 T666 R667 Y671 S672 E680 D868	W665-R669 WeakPolarHBondContact O-CB 3.41Å; W665-R669 PolarHBondContact O-N 2.94Å; T666-R669 PolarHBondContact O-N 2.77Å; R667-R669 VanDerWaalsContact C-N 3.26Å; R667-R669 PolarHBondContact O-N 2.87Å; R669-Y671 VanDerWaalsContact C-N 3.35Å; R669-Y671 PolarHBondContact O-N 2.62Å; R669-S672 PolarHBondContact O-N 2.85Å; R669-S672 PolarHBondContact O-OG 2.9Å; R669-E680 IonicContact CZ-OE1 3.13Å; R669-E680 VanDerWaalsContact CZ-OE1 3.27Å; R669-E680 IonicContact NE-OE1 2.8Å; R669-E680 PolarHBondContact NE-OE1 3.34Å; R669-E680 IonicContact NH2-OE1 3.91Å; R669-E680 PolarHBondContact NH2-OE1 3.45Å; R669-D868 IonicContact NH1-OD2 3.62Å; R669-D868 PolarHBondContact NH1-OD2 2.96Å
670	L	76.2	Confident	78.4	Confident	9 Å²	9	56 Å²	56	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-31.7	-175.4	-70.4	-179.4	0	0	0	113.4	T666 R667 K676 E680 A683 L684 Y687	T666-L670 HydrophobicContact CG2-CD1 3.93Å; T666-L670 HydrophobicContact CG2-CG 4.32Å; T666-L670 WeakPolarHBondContact O-CB 3.48Å; T666-L670 WeakPolarHBondContact O-CG 3.42Å; T666-L670 PolarHBondContact O-N 3.35Å; R667-L670 PolarHBondContact O-N 2.99Å; L670-K676 WeakPolarHBondContact O-CE 3.27Å; L670-E680 HydrophobicContact CD2-CB 4.22Å; L670-A683 HydrophobicContact CD1-CB 4.31Å; L670-A683 HydrophobicContact CD2-CB 3.81Å; L670-L684 HydrophobicContact CB-CD1 3.91Å; L670-L684 WeakPolarHBondContact O-CD1 3.36Å; L670-Y687 HydrophobicContact CD1-CD2 3.64Å; L670-Y687 HydrophobicContact CD1-CE2 4.25Å; L670-Y687 HydrophobicContact CD1-CG 4.41Å
671	Y	73.3	Confident	77.3	Confident	47 Å²	47	54.2 Å²	54.2	18%	0.184	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	10.8	-179.4	-64	-72.8	0	0	0	113.6	R667 R669 L684 L988 P989	R667-Y671 HydrophobicContact CB-CD2 4.23Å; R667-Y671 WeakPolarHBondContact O-CB 3.3Å; R667-Y671 WeakPolarHBondContact O-CD2 3.45Å; R667-Y671 PolarHBondContact O-N 3.35Å; R669-Y671 VanDerWaalsContact C-N 3.35Å; R669-Y671 PolarHBondContact O-N 2.62Å; Y671-L684 HydrophobicContact CD1-CD1 3.85Å; Y671-L684 HydrophobicContact CE1-CD1 3.28Å; Y671-L684 HydrophobicContact CE1-CG 4.39Å; Y671-L684 HydrophobicContact CE2-CD1 4.13Å; Y671-L684 HydrophobicContact CG-CD1 4.47Å; Y671-L684 WeakPolarHBondContact OH-CD1 3.34Å; Y671-L988 HydrophobicContact CD2-CD2 4.32Å; Y671-L988 VanDerWaalsContact CE1-CA 3.44Å; Y671-L988 HydrophobicContact CE1-CB 3.47Å; Y671-L988 VanDerWaalsContact CE1-CB 3.47Å; Y671-L988 HydrophobicContact CE1-CD2 3.68Å; Y671-L988 HydrophobicContact CE1-CG 4.11Å; Y671-L988 HydrophobicContact CE2-CD2 3.42Å; Y671-L988 VanDerWaalsContact CE2-CD2 3.42Å; Y671-L988 VanDerWaalsContact OH-CB 3.26Å; Y671-L988 WeakPolarHBondContact OH-CB 3.24Å; Y671-L988 WeakPolarHBondContact OH-CD2 3.19Å; Y671-L988 WeakPolarHBondContact OH-CG 3.33Å; Y671-P989 HydrophobicContact CD1-CG 4.05Å
672	S	72.2	Confident	76.3	Confident	30 Å²	30	49.8 Å²	49.8	21%	0.21	25%	0.245	C	C	.	.	S	Bend	trans	-64.6	157.3	170.3	69.3	0	0	0	0	111.1	Q668 R669 E674 K676	Q668-S672 WeakPolarHBondContact O-CB 3.24Å; Q668-S672 PolarHBondContact O-N 3.43Å; Q668-S672 VanDerWaalsContact O-N 3.15Å; R669-S672 PolarHBondContact O-N 2.85Å; R669-S672 PolarHBondContact O-OG 2.9Å; S672-E674 PolarHBondContact O-N 3.08Å; S672-K676 PolarHBondContact O-NZ 2.93Å
673	N	63.3	Low	75.5	Confident	161 Å²	161	51.5 Å²	51.5	86%	0.861	26%	0.258	S	S	*	.	S	Bend	trans	-79.4	11.7	173	-71.6	-27	0	0	0	112.6
674	E	67.3	Low	74.7	Confident	141 Å²	141	51.5 Å²	51.5	66%	0.659	26%	0.258	S	S	*	.	S	Bend	trans	-76.5	149.8	179.3	-62.4	-175	175.1	0	0	111.1	S672 K676	S672-E674 PolarHBondContact O-N 3.08Å; E674-K676 PolarHBondContact O-N 3.31Å; E674-K676 VanDerWaalsContact O-N 3.12Å
675	P	63.4	Low	73.9	Confident	88 Å²	88	47.8 Å²	47.8	57%	0.571	24%	0.239	S	C	*	.			trans	-45.9	115.7	167.4	-34	40.7	0	0	0	111.9	R994	P675-R994 VanDerWaalsContact CA-O 3.26Å; P675-R994 WeakPolarHBondContact CA-O 3.35Å; P675-R994 WeakPolarHBondContact CB-O 3.43Å
676	K	69.7	Low	73.2	Confident	15 Å²	15	47 Å²	47	7%	0.065	24%	0.235	C	C	.	.			trans	-85.3	131.1	-179.8	-63	-174.8	176.8	76	0	110.8	L670 S672 E674 E680 L681 L684	L670-K676 WeakPolarHBondContact O-CE 3.27Å; S672-K676 PolarHBondContact O-NZ 2.93Å; E674-K676 PolarHBondContact O-N 3.31Å; E674-K676 VanDerWaalsContact O-N 3.12Å; K676-E680 HydrophobicContact CB-CB 4.32Å; K676-L681 HydrophobicContact CB-CD2 3.76Å; K676-L681 HydrophobicContact CB-CG 3.95Å; K676-L681 HydrophobicContact CD-CD2 3.69Å; K676-L681 HydrophobicContact CG-CD2 4.35Å; K676-L684 HydrophobicContact CD-CD2 3.86Å
677	S	66.8	Low	73	Confident	26 Å²	26	47.5 Å²	47.5	18%	0.182	24%	0.237	C	C	.	.			trans	-64.4	149.7	162.2	110.1	0	0	0	0	108.6	G679 E680 L681 A1181	S677-G679 PolarHBondContact O-N 3.24Å; S677-G679 PolarHBondContact OG-N 2.79Å; S677-E680 WeakPolarHBondContact CB-OE2 3.41Å; S677-E680 PolarHBondContact N-OE2 2.93Å; S677-E680 CarbonylContact O-C 3.56Å; S677-E680 WeakPolarHBondContact O-CA 3.36Å; S677-E680 VanDerWaalsContact O-CB 3.32Å; S677-E680 WeakPolarHBondContact O-CB 3.27Å; S677-E680 PolarHBondContact O-N 2.77Å; S677-E680 PolarHBondContact OG-N 2.88Å; S677-E680 VanDerWaalsContact OG-N 3.11Å; S677-L681 PolarHBondContact O-N 2.89Å; S677-A1181 CarbonylContact C-O 3.57Å; S677-A1181 VanDerWaalsContact C-O 3.31Å; S677-A1181 VanDerWaalsContact CA-O 3.3Å; S677-A1181 WeakPolarHBondContact CA-O 2.99Å; S677-A1181 WeakPolarHBondContact CB-O 3.27Å; S677-A1181 PolarHBondContact OG-O 2.99Å
678	A	62	Low	72.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.6	-17.8	175.2	0	0	0	0	0	113.5	L681 M682 F1137 F1178 A1181	A678-L681 HydrophobicContact CB-CB 4.49Å; A678-L681 HydrophobicContact CB-CD1 4.17Å; A678-L681 PolarHBondContact O-N 3.09Å; A678-M682 WeakPolarHBondContact O-CB 3.33Å; A678-M682 WeakPolarHBondContact O-CG 3.49Å; A678-M682 PolarHBondContact O-N 2.87Å; A678-F1137 HydrophobicContact CB-CD2 3.63Å; A678-F1137 HydrophobicContact CB-CE2 4.15Å; A678-F1178 HydrophobicContact CB-CB 4.1Å; A678-F1178 HydrophobicContact CB-CG 4.49Å; A678-A1181 HydrophobicContact CB-CB 3.03Å; A678-A1181 VanDerWaalsContact N-CA 3.34Å; A678-A1181 PolarHBondContact N-O 2.66Å
679	G	65.9	Low	72.3	Confident	8 Å²	8	37.7 Å²	37.7	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-47.9	158.2	0	0	0	0	0	112.5	S677 M682 A683 A1181 H1182	S677-G679 PolarHBondContact O-N 3.24Å; S677-G679 PolarHBondContact OG-N 2.79Å; G679-M682 WeakPolarHBondContact O-CB 2.84Å; G679-M682 PolarHBondContact O-N 2.97Å; G679-A683 WeakPolarHBondContact O-CB 3.3Å; G679-A683 PolarHBondContact O-N 3.12Å; G679-A1181 PolarHBondContact N-O 3.14Å; G679-H1182 WeakPolarHBondContact CA-CD2 3.49Å; G679-H1182 VanDerWaalsContact CA-NE2 3.3Å; G679-H1182 WeakPolarHBondContact CA-NE2 3.33Å
680	E	72.2	Confident	71.9	Confident	27 Å²	27	37 Å²	37	13%	0.126	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-35.9	175.2	-66.3	170	151.2	0	0	112.3	R669 L670 K676 S677 M682 A683 L684	R669-E680 IonicContact CZ-OE1 3.13Å; R669-E680 VanDerWaalsContact CZ-OE1 3.27Å; R669-E680 IonicContact NE-OE1 2.8Å; R669-E680 PolarHBondContact NE-OE1 3.34Å; R669-E680 IonicContact NH2-OE1 3.91Å; R669-E680 PolarHBondContact NH2-OE1 3.45Å; L670-E680 HydrophobicContact CD2-CB 4.22Å; K676-E680 HydrophobicContact CB-CB 4.32Å; S677-E680 WeakPolarHBondContact CB-OE2 3.41Å; S677-E680 PolarHBondContact N-OE2 2.93Å; S677-E680 CarbonylContact O-C 3.56Å; S677-E680 WeakPolarHBondContact O-CA 3.36Å; S677-E680 VanDerWaalsContact O-CB 3.32Å; S677-E680 WeakPolarHBondContact O-CB 3.27Å; S677-E680 PolarHBondContact O-N 2.77Å; S677-E680 PolarHBondContact OG-N 2.88Å; S677-E680 VanDerWaalsContact OG-N 3.11Å; E680-M682 VanDerWaalsContact C-N 3.33Å; E680-A683 PolarHBondContact O-N 3.21Å; E680-L684 WeakPolarHBondContact O-CB 3.45Å; E680-L684 PolarHBondContact O-N 3.4Å
681	L	71.1	Confident	72.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-39	171.7	-63.8	172	0	0	0	111.6	K676 S677 A678 L684 I685 D991 R994 F1137	K676-L681 HydrophobicContact CB-CD2 3.76Å; K676-L681 HydrophobicContact CB-CG 3.95Å; K676-L681 HydrophobicContact CD-CD2 3.69Å; K676-L681 HydrophobicContact CG-CD2 4.35Å; S677-L681 PolarHBondContact O-N 2.89Å; A678-L681 HydrophobicContact CB-CB 4.49Å; A678-L681 HydrophobicContact CB-CD1 4.17Å; A678-L681 PolarHBondContact O-N 3.09Å; L681-L684 HydrophobicContact CD2-CD2 4.42Å; L681-L684 WeakPolarHBondContact O-CB 3.32Å; L681-L684 PolarHBondContact O-N 3.44Å; L681-I685 WeakPolarHBondContact O-CB 3.3Å; L681-I685 PolarHBondContact O-N 3.15Å; L681-D991 WeakPolarHBondContact CD2-O 3.17Å; L681-R994 HydrophobicContact CD1-CG 4.26Å; L681-F1137 HydrophobicContact CB-CD1 4.12Å; L681-F1137 HydrophobicContact CB-CD2 4.34Å; L681-F1137 HydrophobicContact CB-CG 4.02Å; L681-F1137 HydrophobicContact CD1-CB 3.63Å; L681-F1137 HydrophobicContact CD1-CD2 4.45Å; L681-F1137 HydrophobicContact CD1-CG 3.97Å
682	M	73.5	Confident	72.6	Confident	15 Å²	15	35.9 Å²	35.9	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-43.1	173.7	-88.8	-63.4	-97.2	0	0	112.6	A678 G679 E680 L684 I685 R686 E1014 F1137 F1178	A678-M682 WeakPolarHBondContact O-CB 3.33Å; A678-M682 WeakPolarHBondContact O-CG 3.49Å; A678-M682 PolarHBondContact O-N 2.87Å; G679-M682 WeakPolarHBondContact O-CB 2.84Å; G679-M682 PolarHBondContact O-N 2.97Å; E680-M682 VanDerWaalsContact C-N 3.33Å; M682-L684 PolarHBondContact O-N 3.2Å; M682-I685 PolarHBondContact O-N 3.01Å; M682-R686 VanDerWaalsContact CE-NE 3.29Å; M682-R686 VanDerWaalsContact CE-NH2 3.26Å; M682-R686 VanDerWaalsContact O-CB 3.29Å; M682-R686 WeakPolarHBondContact O-CB 3.47Å; M682-R686 WeakPolarHBondContact O-CG 3.37Å; M682-R686 PolarHBondContact O-N 3.32Å; M682-E1014 HydrophobicContact SD-CG 4.44Å; M682-F1137 HydrophobicContact CG-CE1 4.34Å; M682-F1137 HydrophobicContact CG-CE2 3.58Å; M682-F1137 HydrophobicContact CG-CZ 3.34Å; M682-F1137 HydrophobicContact SD-CE1 4.02Å; M682-F1137 HydrophobicContact SD-CE2 4.07Å; M682-F1137 HydrophobicContact SD-CZ 3.24Å; M682-F1137 WeakPolarHBondContact SD-CZ 3.31Å; M682-F1178 HydrophobicContact CB-CE2 4.5Å; M682-F1178 HydrophobicContact CE-CE2 3.92Å; M682-F1178 HydrophobicContact CE-CZ 3.73Å; M682-F1178 HydrophobicContact CG-CD2 4.06Å; M682-F1178 HydrophobicContact CG-CE1 4.26Å; M682-F1178 HydrophobicContact CG-CE2 3.59Å; M682-F1178 HydrophobicContact CG-CZ 3.71Å; M682-F1178 HydrophobicContact SD-CE2 4.49Å; M682-F1178 HydrophobicContact SD-CZ 4.21Å
683	A	76.9	Confident	73.4	Confident	35 Å²	35	35.5 Å²	35.5	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-35.9	174	0	0	0	0	0	111.5	L670 G679 E680 Y687	L670-A683 HydrophobicContact CD1-CB 4.31Å; L670-A683 HydrophobicContact CD2-CB 3.81Å; G679-A683 WeakPolarHBondContact O-CB 3.3Å; G679-A683 PolarHBondContact O-N 3.12Å; E680-A683 PolarHBondContact O-N 3.21Å; A683-Y687 WeakPolarHBondContact O-CA 3.24Å; A683-Y687 WeakPolarHBondContact O-CB 3.39Å; A683-Y687 PolarHBondContact O-N 2.96Å
684	L	76.6	Confident	74.5	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-48.2	176.1	-170.3	72.6	0	0	0	112.3	L670 Y671 K676 E680 L681 M682 R686 Y687 M990	L670-L684 HydrophobicContact CB-CD1 3.91Å; L670-L684 WeakPolarHBondContact O-CD1 3.36Å; Y671-L684 HydrophobicContact CD1-CD1 3.85Å; Y671-L684 HydrophobicContact CE1-CD1 3.28Å; Y671-L684 HydrophobicContact CE1-CG 4.39Å; Y671-L684 HydrophobicContact CE2-CD1 4.13Å; Y671-L684 HydrophobicContact CG-CD1 4.47Å; Y671-L684 WeakPolarHBondContact OH-CD1 3.34Å; K676-L684 HydrophobicContact CD-CD2 3.86Å; E680-L684 WeakPolarHBondContact O-CB 3.45Å; E680-L684 PolarHBondContact O-N 3.4Å; L681-L684 HydrophobicContact CD2-CD2 4.42Å; L681-L684 WeakPolarHBondContact O-CB 3.32Å; L681-L684 PolarHBondContact O-N 3.44Å; M682-L684 PolarHBondContact O-N 3.2Å; L684-R686 VanDerWaalsContact C-N 3.33Å; L684-Y687 WeakPolarHBondContact O-CB 3.27Å; L684-Y687 PolarHBondContact O-N 3.3Å; L684-Y687 VanDerWaalsContact O-N 3.16Å; L684-M990 HydrophobicContact CD2-CB 4.38Å; L684-M990 HydrophobicContact CG-CG 4.39Å
685	I	73.1	Confident	75.4	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-70	-29.9	179.8	-84.1	162.5	0	0	0	112.6	L681 M682 Y687 M990 Y1010 R1011 F1137	L681-I685 WeakPolarHBondContact O-CB 3.3Å; L681-I685 PolarHBondContact O-N 3.15Å; M682-I685 PolarHBondContact O-N 3.01Å; I685-Y687 VanDerWaalsContact C-N 3.34Å; I685-M990 HydrophobicContact CB-SD 4.29Å; I685-M990 HydrophobicContact CD1-SD 4.46Å; I685-M990 HydrophobicContact CG1-CG 4.23Å; I685-M990 HydrophobicContact CG1-SD 3.4Å; I685-M990 WeakPolarHBondContact CG1-SD 3.49Å; I685-Y1010 VanDerWaalsContact CG2-O 3.25Å; I685-Y1010 WeakPolarHBondContact CG2-O 3.46Å; I685-Y1010 WeakPolarHBondContact O-CB 3.41Å; I685-R1011 HydrophobicContact CG2-CB 4.14Å; I685-R1011 HydrophobicContact CG2-CG 3.79Å; I685-F1137 HydrophobicContact CD1-CD1 3.47Å; I685-F1137 VanDerWaalsContact CD1-CD1 3.47Å; I685-F1137 HydrophobicContact CD1-CE1 3.25Å; I685-F1137 HydrophobicContact CD1-CZ 4.48Å
686	R	77.2	Confident	76.7	Confident	77 Å²	77	24.2 Å²	24.2	29%	0.291	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	0.3	173.3	-64.4	-178.6	177.1	-157.1	0	112.8	M682 L684	M682-R686 VanDerWaalsContact CE-NE 3.29Å; M682-R686 VanDerWaalsContact CE-NH2 3.26Å; M682-R686 VanDerWaalsContact O-CB 3.29Å; M682-R686 WeakPolarHBondContact O-CB 3.47Å; M682-R686 WeakPolarHBondContact O-CG 3.37Å; M682-R686 PolarHBondContact O-N 3.32Å; L684-R686 VanDerWaalsContact C-N 3.33Å
687	Y	82.6	Confident	77.9	Confident	14 Å²	14	27.3 Å²	27.3	6%	0.055	15%	0.146	C	C	.	.	S	Bend	trans	-67	128.9	177	-163.4	-90.7	0	0	0	107.9	I663 T666 R667 L670 A683 L684 I685 G689 L693 P858 L988	I663-Y687 WeakPolarHBondContact CG2-OH 3.18Å; T666-Y687 HydrophobicContact CG2-CE2 4.43Å; R667-Y687 WeakPolarHBondContact CD-OH 3.22Å; R667-Y687 HydrophobicContact CG-CE1 4.24Å; R667-Y687 HydrophobicContact CG-CE2 4.2Å; R667-Y687 WeakPolarHBondContact CG-OH 3.44Å; L670-Y687 HydrophobicContact CD1-CD2 3.64Å; L670-Y687 HydrophobicContact CD1-CE2 4.25Å; L670-Y687 HydrophobicContact CD1-CG 4.41Å; A683-Y687 WeakPolarHBondContact O-CA 3.24Å; A683-Y687 WeakPolarHBondContact O-CB 3.39Å; A683-Y687 PolarHBondContact O-N 2.96Å; L684-Y687 WeakPolarHBondContact O-CB 3.27Å; L684-Y687 PolarHBondContact O-N 3.3Å; L684-Y687 VanDerWaalsContact O-N 3.16Å; I685-Y687 VanDerWaalsContact C-N 3.34Å; Y687-G689 PolarHBondContact O-N 2.63Å; Y687-L693 HydrophobicContact CE1-CD1 4.17Å; Y687-L693 HydrophobicContact CE1-CD2 4.11Å; Y687-L693 WeakPolarHBondContact OH-CD1 3.33Å; Y687-P858 HydrophobicContact CE2-CB 4.28Å; Y687-P858 WeakPolarHBondContact CE2-O 3.38Å; Y687-L988 HydrophobicContact CD1-CD1 4.13Å; Y687-L988 HydrophobicContact CD1-CD2 4.35Å
688	P	79.1	Confident	79.1	Confident	10 Å²	10	26.4 Å²	26.4	7%	0.065	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-62.3	138.6	-173.9	20.8	-29.8	0	0	0	111.7	A692 L693 V855 P858	P688-A692 HydrophobicContact CB-CB 3.6Å; P688-L693 HydrophobicContact CB-CB 4.21Å; P688-L693 HydrophobicContact CG-CB 4.12Å; P688-L693 HydrophobicContact CG-CD1 4.04Å; P688-V855 HydrophobicContact CB-CG1 3.87Å; P688-V855 HydrophobicContact CG-CG1 4.01Å; P688-P858 HydrophobicContact CG-CB 4.29Å
689	G	73.8	Confident	80.5	Confident	6 Å²	6	26.5 Å²	26.5	6%	0.062	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-60.3	172.3	167.5	0	0	0	0	0	111.9	Y687 A691 A692 L693	Y687-G689 PolarHBondContact O-N 2.63Å; G689-A691 PolarHBondContact O-N 3.32Å; G689-A692 PolarHBondContact O-N 3.17Å; G689-L693 VanDerWaalsContact O-CB 3.24Å; G689-L693 WeakPolarHBondContact O-CB 3.49Å; G689-L693 PolarHBondContact O-N 2.78Å
690	P	74.6	Confident	81.7	Confident	61 Å²	61	26.3 Å²	26.3	40%	0.396	14%	0.138	S	C	.	.	H	α-helix	trans	-54.2	-45.7	-171.2	-27.1	35.4	0	0	0	114.4	L693 E694	P690-L693 PolarHBondContact O-N 2.92Å; P690-E694 PolarHBondContact O-N 3.27Å
691	A	79.8	Confident	82.8	Confident	32 Å²	32	25.1 Å²	25.1	26%	0.264	13%	0.132	S	C	.	.	H	α-helix	trans	-70.1	-45.2	-179.1	0	0	0	0	0	112	G689 L693 E694 Q695 L782	G689-A691 PolarHBondContact O-N 3.32Å; A691-L693 VanDerWaalsContact C-N 3.3Å; A691-L693 PolarHBondContact O-N 3.43Å; A691-E694 PolarHBondContact O-N 3.06Å; A691-Q695 PolarHBondContact O-N 2.89Å; A691-L782 HydrophobicContact CB-CD1 3.67Å
692	A	84.1	Confident	83.7	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-37.2	173.7	0	0	0	0	0	112.5	P688 G689 Q695 A696 L782 V855 V926	P688-A692 HydrophobicContact CB-CB 3.6Å; G689-A692 PolarHBondContact O-N 3.17Å; A692-Q695 PolarHBondContact O-N 3.15Å; A692-A696 VanDerWaalsContact O-CB 3.23Å; A692-A696 WeakPolarHBondContact O-CB 3.41Å; A692-A696 PolarHBondContact O-N 3.42Å; A692-L782 HydrophobicContact CB-CD2 3.78Å; A692-V855 HydrophobicContact CB-CG2 4.19Å; A692-V926 HydrophobicContact CB-CG1 3.85Å
693	L	87.5	Confident	84.4	Confident	22 Å²	22	26 Å²	26	12%	0.115	14%	0.136	C	C	.	.	H	α-helix	trans	-69.2	-39.6	179	177.3	64.6	0	0	0	111.1	I663 Y687 P688 G689 P690 A691 R697 P858	I663-L693 HydrophobicContact CG2-CD1 4.47Å; Y687-L693 HydrophobicContact CE1-CD1 4.17Å; Y687-L693 HydrophobicContact CE1-CD2 4.11Å; Y687-L693 WeakPolarHBondContact OH-CD1 3.33Å; P688-L693 HydrophobicContact CB-CB 4.21Å; P688-L693 HydrophobicContact CG-CB 4.12Å; P688-L693 HydrophobicContact CG-CD1 4.04Å; G689-L693 VanDerWaalsContact O-CB 3.24Å; G689-L693 WeakPolarHBondContact O-CB 3.49Å; G689-L693 PolarHBondContact O-N 2.78Å; P690-L693 PolarHBondContact O-N 2.92Å; A691-L693 VanDerWaalsContact C-N 3.3Å; A691-L693 PolarHBondContact O-N 3.43Å; L693-R697 WeakPolarHBondContact O-CB 3.44Å; L693-R697 PolarHBondContact O-N 3.32Å; L693-P858 HydrophobicContact CD1-CB 3.59Å; L693-P858 HydrophobicContact CD1-CG 4.17Å
694	E	87.2	Confident	85.1	Confident	101 Å²	101	24.6 Å²	24.6	47%	0.472	12%	0.123	S	C	.	.	H	α-helix	trans	-59.3	-48.8	175.1	-174.4	175.4	-176.5	0	0	110.5	R491 P690 A691 A698	R491-E694 IonicContact NH2-OE1 3.15Å; R491-E694 PolarHBondContact NH2-OE1 2.74Å; P690-E694 PolarHBondContact O-N 3.27Å; A691-E694 PolarHBondContact O-N 3.06Å; E694-A698 WeakPolarHBondContact O-CB 3.38Å; E694-A698 PolarHBondContact O-N 2.79Å
695	Q	86.7	Confident	85.7	Confident	51 Å²	51	24.4 Å²	24.4	24%	0.238	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-47.5	178.1	-67.1	-170.8	8.6	0	0	112.5	A691 A692 A698 R699	A691-Q695 PolarHBondContact O-N 2.89Å; A692-Q695 PolarHBondContact O-N 3.15Å; Q695-A698 PolarHBondContact O-N 3.48Å; Q695-R699 PolarHBondContact O-N 2.93Å
696	A	90.5	Very high	86.2	Confident	2 Å²	2	25 Å²	25	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-60.3	-49.2	178.9	0	0	0	0	0	110.9	A692 A698 R699 E700 V855 P858	A692-A696 VanDerWaalsContact O-CB 3.23Å; A692-A696 WeakPolarHBondContact O-CB 3.41Å; A692-A696 PolarHBondContact O-N 3.42Å; A696-A698 PolarHBondContact O-N 3.4Å; A696-R699 PolarHBondContact O-N 2.77Å; A696-E700 VanDerWaalsContact O-CG 3.31Å; A696-E700 WeakPolarHBondContact O-CG 3.4Å; A696-E700 PolarHBondContact O-N 2.99Å; A696-V855 HydrophobicContact CB-CG1 4.06Å; A696-P858 HydrophobicContact CB-CG 4.34Å
697	R	93.8	Very high	86.4	Confident	79 Å²	79	23.2 Å²	23.2	30%	0.298	13%	0.125	S	C	.	.	H	α-helix	trans	-57.8	-49.1	177.6	178.4	-175.6	173.6	-78.7	-3.6	111.7	D660 I663 L693 R699 E700 I701	D660-R697 IonicContact OD1-CZ 3.75Å; D660-R697 IonicContact OD1-NE 2.9Å; D660-R697 PolarHBondContact OD1-NE 3.35Å; D660-R697 IonicContact OD1-NH2 3.43Å; D660-R697 PolarHBondContact OD1-NH2 2.67Å; D660-R697 IonicContact OD2-CZ 3.42Å; D660-R697 IonicContact OD2-NE 3.45Å; D660-R697 IonicContact OD2-NH2 2.87Å; D660-R697 PolarHBondContact OD2-NH2 2.95Å; I663-R697 HydrophobicContact CD1-CB 4.05Å; I663-R697 HydrophobicContact CD1-CG 3.89Å; L693-R697 WeakPolarHBondContact O-CB 3.44Å; L693-R697 PolarHBondContact O-N 3.32Å; R697-R699 PolarHBondContact O-N 2.88Å; R697-E700 PolarHBondContact O-N 2.98Å; R697-I701 HydrophobicContact CG-CD1 4.03Å; R697-I701 VanDerWaalsContact O-CG1 3.32Å; R697-I701 WeakPolarHBondContact O-CG1 3.25Å; R697-I701 PolarHBondContact O-N 3.11Å
698	A	92.4	Very high	86.6	Confident	8 Å²	8	23 Å²	23	7%	0.066	13%	0.125	C	C	.	.	H	α-helix	trans	-57.5	-41.7	178.8	0	0	0	0	0	111.2	E694 Q695 A696 I701 Y702 C745	E694-A698 WeakPolarHBondContact O-CB 3.38Å; E694-A698 PolarHBondContact O-N 2.79Å; Q695-A698 PolarHBondContact O-N 3.48Å; A696-A698 PolarHBondContact O-N 3.4Å; A698-I701 PolarHBondContact O-N 3.44Å; A698-Y702 PolarHBondContact O-N 3.37Å; A698-C745 HydrophobicContact CB-CB 4.16Å
699	R	91.4	Very high	86.7	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-66.4	-45.3	175.9	179.1	64.3	-170.6	160.3	1.3	113.5	Q695 A696 R697 I701 Y702 E703 A904 S908 G909	Q695-R699 PolarHBondContact O-N 2.93Å; A696-R699 PolarHBondContact O-N 2.77Å; R697-R699 PolarHBondContact O-N 2.88Å; R699-I701 VanDerWaalsContact C-N 3.26Å; R699-I701 PolarHBondContact O-N 2.91Å; R699-Y702 VanDerWaalsContact NH1-CE1 3.32Å; R699-Y702 WeakPolarHBondContact O-CB 3.2Å; R699-Y702 PolarHBondContact O-N 3.35Å; R699-Y702 VanDerWaalsContact O-N 3.16Å; R699-E703 HydrophobicContact CG-CG 4.49Å; R699-E703 IonicContact CZ-OE1 2.78Å; R699-E703 IonicContact NE-OE1 3.44Å; R699-E703 PolarHBondContact NE-OE1 3.32Å; R699-E703 VanDerWaalsContact NH2-CD 3.33Å; R699-E703 IonicContact NH2-OE1 3.58Å; R699-E703 PolarHBondContact NH2-OE1 3.31Å; R699-E703 PolarHBondContact O-N 3.16Å; R699-A904 HydrophobicContact CG-CB 4.02Å; R699-A904 VanDerWaalsContact CG-O 3.3Å; R699-A904 WeakPolarHBondContact CG-O 3.37Å; R699-S908 PolarHBondContact NH1-O 3.12Å; R699-S908 PolarHBondContact NH2-O 3.27Å; R699-G909 PolarHBondContact NH2-O 3.46Å
700	E	92.6	Very high	86.8	Confident	3 Å²	3	25.9 Å²	25.9	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-39.2	178.6	-60.8	-47.6	148.4	0	0	111	V659 A696 R697 Q704 P858 F863 S903	V659-E700 HydrophobicContact CG1-CB 3.87Å; V659-E700 HydrophobicContact CG2-CB 4.23Å; A696-E700 VanDerWaalsContact O-CG 3.31Å; A696-E700 WeakPolarHBondContact O-CG 3.4Å; A696-E700 PolarHBondContact O-N 2.99Å; R697-E700 PolarHBondContact O-N 2.98Å; E700-Q704 VanDerWaalsContact O-CB 3.3Å; E700-Q704 WeakPolarHBondContact O-CB 3.46Å; E700-Q704 PolarHBondContact O-N 3.31Å; E700-P858 HydrophobicContact CG-CG 4.38Å; E700-F863 HydrophobicContact CB-CE2 4.18Å; E700-F863 HydrophobicContact CB-CZ 3.86Å; E700-F863 HydrophobicContact CG-CE2 4.35Å; E700-F863 HydrophobicContact CG-CZ 3.81Å; E700-F863 WeakPolarHBondContact OE2-CE2 3.28Å; E700-S903 PolarHBondContact OE1-OG 3Å
701	I	94	Very high	87	Confident	2 Å²	2	25 Å²	25	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-65.2	-43	175.3	-61.9	170.2	0	0	0	110.9	A655 T656 V659 R697 A698 R699 Q704 T705 T743	A655-I701 HydrophobicContact CB-CG2 4.01Å; T656-I701 HydrophobicContact CG2-CD1 4.21Å; T656-I701 WeakPolarHBondContact OG1-CG2 3.44Å; V659-I701 HydrophobicContact CB-CG1 3.88Å; V659-I701 HydrophobicContact CG1-CG1 3.88Å; V659-I701 HydrophobicContact CG2-CG1 4.14Å; R697-I701 HydrophobicContact CG-CD1 4.03Å; R697-I701 VanDerWaalsContact O-CG1 3.32Å; R697-I701 WeakPolarHBondContact O-CG1 3.25Å; R697-I701 PolarHBondContact O-N 3.11Å; A698-I701 PolarHBondContact O-N 3.44Å; R699-I701 VanDerWaalsContact C-N 3.26Å; R699-I701 PolarHBondContact O-N 2.91Å; I701-Q704 PolarHBondContact O-N 3.34Å; I701-T705 WeakPolarHBondContact O-CB 3.4Å; I701-T705 PolarHBondContact O-N 3.44Å; I701-T705 PolarHBondContact O-OG1 3.34Å; I701-T743 HydrophobicContact CB-CG2 4.31Å; I701-T743 HydrophobicContact CG2-CG2 3.59Å
702	Y	91.2	Very high	86.8	Confident	7 Å²	7	24.8 Å²	24.8	3%	0.027	13%	0.125	C	C	.	.	H	α-helix	trans	-57.7	-52.8	176.2	-177.4	-76	0	0	0	111.3	A698 R699 Q704 T705 V706 I739 C745 D910	A698-Y702 PolarHBondContact O-N 3.37Å; R699-Y702 VanDerWaalsContact NH1-CE1 3.32Å; R699-Y702 WeakPolarHBondContact O-CB 3.2Å; R699-Y702 PolarHBondContact O-N 3.35Å; R699-Y702 VanDerWaalsContact O-N 3.16Å; Y702-Q704 VanDerWaalsContact C-N 3.32Å; Y702-Q704 PolarHBondContact O-N 2.81Å; Y702-T705 WeakPolarHBondContact O-CB 3.42Å; Y702-T705 PolarHBondContact O-N 3.05Å; Y702-T705 VanDerWaalsContact O-N 3.15Å; Y702-V706 HydrophobicContact CD1-CG2 4.06Å; Y702-V706 HydrophobicContact CE1-CG2 3.69Å; Y702-V706 WeakPolarHBondContact O-CG2 3.19Å; Y702-V706 PolarHBondContact O-N 2.88Å; Y702-I739 HydrophobicContact CD2-CG2 3.53Å; Y702-I739 HydrophobicContact CE2-CB 4.26Å; Y702-I739 HydrophobicContact CE2-CG2 3.68Å; Y702-I739 HydrophobicContact CG-CG2 4.19Å; Y702-C745 HydrophobicContact CD2-CB 4.02Å; Y702-C745 HydrophobicContact CG-CB 4.34Å; Y702-D910 WeakPolarHBondContact CE1-OD2 3.48Å; Y702-D910 PolarHBondContact OH-OD2 2.93Å
703	E	87.3	Confident	86	Confident	27 Å²	27	26.6 Å²	26.6	13%	0.126	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-44.1	-179.4	-72.6	-175.3	-178.2	0	0	111.8	R699 T705 V706 S707 R921	R699-E703 HydrophobicContact CG-CG 4.49Å; R699-E703 IonicContact CZ-OE1 2.78Å; R699-E703 IonicContact NE-OE1 3.44Å; R699-E703 PolarHBondContact NE-OE1 3.32Å; R699-E703 VanDerWaalsContact NH2-CD 3.33Å; R699-E703 IonicContact NH2-OE1 3.58Å; R699-E703 PolarHBondContact NH2-OE1 3.31Å; R699-E703 PolarHBondContact O-N 3.16Å; E703-T705 VanDerWaalsContact C-N 3.32Å; E703-T705 PolarHBondContact O-N 3.35Å; E703-V706 PolarHBondContact O-N 2.84Å; E703-S707 PolarHBondContact O-N 3Å; E703-R921 IonicContact OE1-CZ 3.48Å; E703-R921 IonicContact OE1-NH1 3.29Å; E703-R921 PolarHBondContact OE1-NH1 3.47Å; E703-R921 IonicContact OE1-NH2 3.6Å; E703-R921 IonicContact OE2-CZ 2.72Å; E703-R921 IonicContact OE2-NH1 3.42Å; E703-R921 PolarHBondContact OE2-NH1 2.83Å; E703-R921 IonicContact OE2-NH2 2.66Å
704	Q	90.8	Very high	85.1	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.028	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-34.2	179.1	-177.7	54.3	9.6	0	0	111.8	A655 E658 V659 E700 I701 Y702 S707 L708 F863	A655-Q704 HydrophobicContact CB-CB 3.96Å; A655-Q704 HydrophobicContact CB-CG 3.83Å; E658-Q704 PolarHBondContact OE2-NE2 3.35Å; V659-Q704 HydrophobicContact CG2-CB 4.2Å; V659-Q704 HydrophobicContact CG2-CG 4.48Å; E700-Q704 VanDerWaalsContact O-CB 3.3Å; E700-Q704 WeakPolarHBondContact O-CB 3.46Å; E700-Q704 PolarHBondContact O-N 3.31Å; I701-Q704 PolarHBondContact O-N 3.34Å; Y702-Q704 VanDerWaalsContact C-N 3.32Å; Y702-Q704 PolarHBondContact O-N 2.81Å; Q704-S707 PolarHBondContact O-N 3.43Å; Q704-L708 HydrophobicContact CG-CD1 4.3Å; Q704-L708 WeakPolarHBondContact O-CB 3.4Å; Q704-L708 VanDerWaalsContact O-CG 3.24Å; Q704-L708 WeakPolarHBondContact O-CG 3.46Å; Q704-L708 PolarHBondContact O-N 2.89Å; Q704-F863 HydrophobicContact CG-CB 4.47Å
705	T	90.6	Very high	84.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-48.8	173.2	-59.6	0	0	0	0	110.9	V652 A655 I701 Y702 E703 S707 L708 V709 I739	V652-T705 HydrophobicContact CB-CG2 4.46Å; V652-T705 HydrophobicContact CG2-CG2 3.52Å; A655-T705 WeakPolarHBondContact CB-OG1 3.38Å; I701-T705 WeakPolarHBondContact O-CB 3.4Å; I701-T705 PolarHBondContact O-N 3.44Å; I701-T705 PolarHBondContact O-OG1 3.34Å; Y702-T705 WeakPolarHBondContact O-CB 3.42Å; Y702-T705 PolarHBondContact O-N 3.05Å; Y702-T705 VanDerWaalsContact O-N 3.15Å; E703-T705 VanDerWaalsContact C-N 3.32Å; E703-T705 PolarHBondContact O-N 3.35Å; T705-S707 VanDerWaalsContact C-N 3.32Å; T705-S707 PolarHBondContact O-N 3.41Å; T705-L708 PolarHBondContact O-N 3.39Å; T705-V709 WeakPolarHBondContact O-CG2 3.15Å; T705-V709 PolarHBondContact O-N 3.06Å; T705-I739 HydrophobicContact CG2-CD1 4.23Å; T705-I739 HydrophobicContact CG2-CG1 4.08Å; T705-I739 HydrophobicContact CG2-CG2 3.98Å
706	V	82.8	Confident	82.9	Confident	15 Å²	15	33.6 Å²	33.6	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-43.3	178.3	172.9	0	0	0	0	110.6	Y702 E703 L708 V709 Q710 Y727 L731	Y702-V706 HydrophobicContact CD1-CG2 4.06Å; Y702-V706 HydrophobicContact CE1-CG2 3.69Å; Y702-V706 WeakPolarHBondContact O-CG2 3.19Å; Y702-V706 PolarHBondContact O-N 2.88Å; E703-V706 PolarHBondContact O-N 2.84Å; V706-L708 PolarHBondContact O-N 3.46Å; V706-V709 PolarHBondContact O-N 2.93Å; V706-Q710 PolarHBondContact O-N 3.23Å; V706-Y727 WeakPolarHBondContact CG1-OH 3.11Å; V706-L731 HydrophobicContact CG2-CD1 4.44Å
707	S	82	Confident	81.1	Confident	39 Å²	39	38 Å²	38	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-40.3	175.2	-169.7	0	0	0	0	113	E703 Q704 T705 Q710 S711 Q864	E703-S707 PolarHBondContact O-N 3Å; Q704-S707 PolarHBondContact O-N 3.43Å; T705-S707 VanDerWaalsContact C-N 3.32Å; T705-S707 PolarHBondContact O-N 3.41Å; S707-Q710 WeakPolarHBondContact O-CB 3.39Å; S707-Q710 PolarHBondContact O-N 3.02Å; S707-S711 WeakPolarHBondContact O-CB 3.03Å; S707-S711 PolarHBondContact O-N 3Å; S707-Q864 PolarHBondContact OG-NE2 3.46Å
708	L	86.5	Confident	78.8	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-45.6	176.5	-73.8	171.4	0	0	0	111.5	S651 Q654 A655 Q704 T705 V706 Q710 S711 H712	S651-L708 WeakPolarHBondContact O-CD1 3.45Å; Q654-L708 HydrophobicContact CB-CD1 3.88Å; Q654-L708 HydrophobicContact CG-CD1 3.75Å; Q654-L708 HydrophobicContact CG-CD2 4.46Å; A655-L708 HydrophobicContact CB-CD1 3.96Å; Q704-L708 HydrophobicContact CG-CD1 4.3Å; Q704-L708 WeakPolarHBondContact O-CB 3.4Å; Q704-L708 VanDerWaalsContact O-CG 3.24Å; Q704-L708 WeakPolarHBondContact O-CG 3.46Å; Q704-L708 PolarHBondContact O-N 2.89Å; T705-L708 PolarHBondContact O-N 3.39Å; V706-L708 PolarHBondContact O-N 3.46Å; L708-Q710 VanDerWaalsContact C-N 3.31Å; L708-Q710 PolarHBondContact O-N 3.41Å; L708-S711 CarbonylContact O-C 3.57Å; L708-S711 WeakPolarHBondContact O-CA 3.36Å; L708-S711 WeakPolarHBondContact O-CB 3.37Å; L708-S711 PolarHBondContact O-N 3.44Å; L708-S711 VanDerWaalsContact O-N 3.09Å; L708-H712 PolarHBondContact O-CD2 3.23Å; L708-H712 PolarHBondContact O-N 2.86Å
709	V	81.3	Confident	76.6	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-46.2	175.6	173	0	0	0	0	110.4	I643 I648 T705 V706 S711 H712 V713 V730 L731	I643-V709 HydrophobicContact CD1-CG1 4.19Å; I648-V709 HydrophobicContact CD1-CG2 3.86Å; T705-V709 WeakPolarHBondContact O-CG2 3.15Å; T705-V709 PolarHBondContact O-N 3.06Å; V706-V709 PolarHBondContact O-N 2.93Å; V709-S711 VanDerWaalsContact C-N 3.32Å; V709-S711 PolarHBondContact O-N 3.31Å; V709-H712 PolarHBondContact O-N 2.86Å; V709-V713 VanDerWaalsContact O-CG2 3.29Å; V709-V713 WeakPolarHBondContact O-CG2 3.47Å; V709-V713 PolarHBondContact O-N 3.41Å; V709-V730 HydrophobicContact CG1-CG1 3.78Å; V709-L731 HydrophobicContact CG1-CD2 3.87Å; V709-L731 HydrophobicContact CG1-CG 4.46Å
710	Q	76	Confident	74.1	Confident	76 Å²	76	53.7 Å²	53.7	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-55.7	-47.6	174	-172.4	172.3	20.3	0	0	111.8	V706 S707 L708 H712 V713 V714 Y727	V706-Q710 PolarHBondContact O-N 3.23Å; S707-Q710 WeakPolarHBondContact O-CB 3.39Å; S707-Q710 PolarHBondContact O-N 3.02Å; L708-Q710 VanDerWaalsContact C-N 3.31Å; L708-Q710 PolarHBondContact O-N 3.41Å; Q710-H712 VanDerWaalsContact C-N 3.32Å; Q710-H712 PolarHBondContact O-N 3.11Å; Q710-V713 PolarHBondContact O-N 3.23Å; Q710-V714 WeakPolarHBondContact O-CG2 3.36Å; Q710-V714 PolarHBondContact O-N 3.11Å; Q710-Y727 HydrophobicContact CB-CD2 4.07Å; Q710-Y727 HydrophobicContact CB-CE2 3.37Å; Q710-Y727 HydrophobicContact CG-CD2 3.56Å; Q710-Y727 HydrophobicContact CG-CE2 3.33Å; Q710-Y727 HydrophobicContact CG-CG 4.42Å
711	S	78	Confident	71.6	Confident	44 Å²	44	56.3 Å²	56.3	31%	0.308	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-37.8	178.8	-176.6	0	0	0	0	112.8	S707 L708 V709 R715	S707-S711 WeakPolarHBondContact O-CB 3.03Å; S707-S711 PolarHBondContact O-N 3Å; L708-S711 CarbonylContact O-C 3.57Å; L708-S711 WeakPolarHBondContact O-CA 3.36Å; L708-S711 WeakPolarHBondContact O-CB 3.37Å; L708-S711 PolarHBondContact O-N 3.44Å; L708-S711 VanDerWaalsContact O-N 3.09Å; V709-S711 VanDerWaalsContact C-N 3.32Å; V709-S711 PolarHBondContact O-N 3.31Å; S711-R715 WeakPolarHBondContact O-CB 3.42Å; S711-R715 WeakPolarHBondContact O-CG 3.31Å; S711-R715 PolarHBondContact O-N 3.19Å; S711-R715 VanDerWaalsContact O-N 3.07Å; S711-R715 PolarHBondContact O-NE 2.87Å; S711-R715 PolarHBondContact OG-NE 3.08Å; S711-R715 VanDerWaalsContact OG-NE 3.12Å; S711-R715 PolarHBondContact OG-NH2 3.12Å
712	H	77.1	Confident	68.8	Low	26 Å²	26	61.4 Å²	61.4	12%	0.12	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-40.7	177.4	-74.5	-56.6	0	0	0	112.2	L647 L708 V709 Q710 R715 L717	L647-H712 HydrophobicContact CD1-CB 4.26Å; L647-H712 HydrophobicContact CD2-CB 4.47Å; L708-H712 PolarHBondContact O-CD2 3.23Å; L708-H712 PolarHBondContact O-N 2.86Å; V709-H712 PolarHBondContact O-N 2.86Å; Q710-H712 VanDerWaalsContact C-N 3.32Å; Q710-H712 PolarHBondContact O-N 3.11Å; H712-R715 PolarHBondContact O-N 3.5Å; H712-L717 HydrophobicContact CB-CD1 3.89Å
713	V	67.6	Low	66.6	Low	40 Å²	40	63.6 Å²	63.6	24%	0.242	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-46.9	176.6	175.4	0	0	0	0	110.8	I643 V709 Q710 R715 G716 V730	I643-V713 HydrophobicContact CD1-CG2 4.41Å; V709-V713 VanDerWaalsContact O-CG2 3.29Å; V709-V713 WeakPolarHBondContact O-CG2 3.47Å; V709-V713 PolarHBondContact O-N 3.41Å; Q710-V713 PolarHBondContact O-N 3.23Å; V713-R715 VanDerWaalsContact C-N 3.3Å; V713-R715 PolarHBondContact O-N 2.84Å; V713-G716 PolarHBondContact O-N 3.11Å; V713-V730 HydrophobicContact CG1-CG2 4.17Å; V713-V730 HydrophobicContact CG2-CG1 3.67Å; V713-V730 HydrophobicContact CG2-CG2 4.31Å
714	V	68	Low	64.3	Low	117 Å²	117	72.2 Å²	72.2	71%	0.709	40%	0.397	S	S	*	.	H	α-helix	trans	-64.9	-32.2	179.8	172.8	0	0	0	0	112.3	Q710 G716	Q710-V714 WeakPolarHBondContact O-CG2 3.36Å; Q710-V714 PolarHBondContact O-N 3.11Å; V714-G716 PolarHBondContact O-N 3.45Å
715	R	69.8	Low	62.1	Low	159 Å²	159	76.1 Å²	76.1	60%	0.6	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	3.6	178.4	-78	-175.4	-78.3	167.5	-5.2	114.8	S711 H712 V713	S711-R715 WeakPolarHBondContact O-CB 3.42Å; S711-R715 WeakPolarHBondContact O-CG 3.31Å; S711-R715 PolarHBondContact O-N 3.19Å; S711-R715 VanDerWaalsContact O-N 3.07Å; S711-R715 PolarHBondContact O-NE 2.87Å; S711-R715 PolarHBondContact OG-NE 3.08Å; S711-R715 VanDerWaalsContact OG-NE 3.12Å; S711-R715 PolarHBondContact OG-NH2 3.12Å; H712-R715 PolarHBondContact O-N 3.5Å; V713-R715 VanDerWaalsContact C-N 3.3Å; V713-R715 PolarHBondContact O-N 2.84Å
716	G	57.1	Low	60.1	Low	45 Å²	45	83.1 Å²	83.1	46%	0.464	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	28.8	169.3	0	0	0	0	0	114.9	V713 V714 H718	V713-G716 PolarHBondContact O-N 3.11Å; V714-G716 PolarHBondContact O-N 3.45Å; G716-H718 PolarHBondContact O-N 3.41Å
717	L	53.8	Low	58.5	Low	93 Å²	93	85.2 Å²	85.2	49%	0.487	45%	0.454	S	S	.	.			trans	-53.5	117.1	161.9	-81.9	159.4	0	0	0	107.5	H712 F719	H712-L717 HydrophobicContact CB-CD1 3.89Å; L717-F719 VanDerWaalsContact C-N 3.31Å; L717-F719 HydrophobicContact CB-CE2 4.17Å; L717-F719 WeakPolarHBondContact O-CD2 3.5Å; L717-F719 WeakPolarHBondContact O-CE2 3.16Å; L717-F719 PolarHBondContact O-N 3.06Å
718	H	44.7	Very low	57.1	Low	197 Å²	197	85.7 Å²	85.7	91%	0.912	46%	0.456	S	S	*	.			trans	-63.7	84.2	-168.4	-72.1	-63.8	0	0	0	112.1	G716	G716-H718 PolarHBondContact O-N 3.41Å
719	F	45.7	Very low	55.5	Low	64 Å²	64	91 Å²	91	28%	0.281	48%	0.481	S	S	.	.			trans	-77.1	133.1	156.9	-57.1	-79.5	0	0	0	107.4	L647 L717 L721	L647-F719 HydrophobicContact CD2-CZ 3.83Å; L717-F719 VanDerWaalsContact C-N 3.31Å; L717-F719 HydrophobicContact CB-CE2 4.17Å; L717-F719 WeakPolarHBondContact O-CD2 3.5Å; L717-F719 WeakPolarHBondContact O-CE2 3.16Å; L717-F719 PolarHBondContact O-N 3.06Å; F719-L721 HydrophobicContact CB-CB 4.39Å; F719-L721 HydrophobicContact CB-CD1 3.6Å; F719-L721 HydrophobicContact CB-CD2 4.29Å; F719-L721 HydrophobicContact CB-CG 3.45Å; F719-L721 VanDerWaalsContact CB-CG 3.45Å; F719-L721 HydrophobicContact CD2-CD1 4.32Å; F719-L721 HydrophobicContact CG-CD1 4.23Å; F719-L721 HydrophobicContact CG-CG 4.46Å; F719-L721 PolarHBondContact O-N 3.16Å
720	N	39.7	Very low	54.5	Low	158 Å²	158	91.8 Å²	91.8	85%	0.845	49%	0.485	S	S	*	.			trans	-74.4	68.2	170.3	-158.4	7.5	0	0	0	108.8	S722	N720-S722 PolarHBondContact O-N 3.09Å
721	L	40.9	Very low	54.1	Low	59 Å²	59	89.1 Å²	89.1	31%	0.309	47%	0.473	S	S	.	.			trans	-88.9	93.3	-178.9	-79	175.7	0	0	0	106.9	P641 F719 G723 F725	P641-L721 HydrophobicContact CB-CD2 3.8Å; P641-L721 HydrophobicContact CG-CD2 3.57Å; F719-L721 HydrophobicContact CB-CB 4.39Å; F719-L721 HydrophobicContact CB-CD1 3.6Å; F719-L721 HydrophobicContact CB-CD2 4.29Å; F719-L721 HydrophobicContact CB-CG 3.45Å; F719-L721 VanDerWaalsContact CB-CG 3.45Å; F719-L721 HydrophobicContact CD2-CD1 4.32Å; F719-L721 HydrophobicContact CG-CD1 4.23Å; F719-L721 HydrophobicContact CG-CG 4.46Å; F719-L721 PolarHBondContact O-N 3.16Å; L721-G723 PolarHBondContact O-N 3.17Å; L721-F725 HydrophobicContact CB-CD2 3.63Å; L721-F725 HydrophobicContact CB-CE2 3.31Å; L721-F725 HydrophobicContact CB-CZ 4Å; L721-F725 HydrophobicContact CD1-CD2 4Å; L721-F725 HydrophobicContact CD1-CE2 4.31Å; L721-F725 HydrophobicContact CD1-CG 4.22Å; L721-F725 HydrophobicContact CD2-CD1 4.21Å; L721-F725 HydrophobicContact CD2-CD2 4.12Å; L721-F725 HydrophobicContact CD2-CE1 3.69Å; L721-F725 HydrophobicContact CD2-CE2 3.66Å; L721-F725 HydrophobicContact CD2-CG 4.42Å; L721-F725 HydrophobicContact CD2-CZ 3.4Å; L721-F725 VanDerWaalsContact CD2-CZ 3.4Å; L721-F725 HydrophobicContact CG-CD2 4.07Å; L721-F725 HydrophobicContact CG-CE2 3.86Å; L721-F725 HydrophobicContact CG-CZ 4.14Å
722	S	34.3	Very low	53.7	Low	108 Å²	108	88.5 Å²	88.5	76%	0.755	47%	0.469	S	S	*	.			trans	-70.6	77.9	175.1	58	0	0	0	0	110.2	N720	N720-S722 PolarHBondContact O-N 3.09Å
723	G	44.4	Very low	53.3	Low	53 Å²	53	89.6 Å²	89.6	55%	0.546	48%	0.483	S	S	.	.	S	Bend	trans	154.6	165.1	176.7	0	0	0	0	0	114	L721 F725	L721-G723 PolarHBondContact O-N 3.17Å; G723-F725 WeakPolarHBondContact O-CD2 3.43Å; G723-F725 WeakPolarHBondContact O-CE2 3.45Å
724	Q	39.7	Very low	53.5	Low	208 Å²	208	90.9 Å²	90.9	97%	0.972	50%	0.497	S	S	*	.			trans	-70.8	128.2	163.2	-72.6	179	-26.9	0	0	108.4
725	F	43.6	Very low	54.1	Low	88 Å²	88	86.1 Å²	86.1	39%	0.386	47%	0.467	S	S	.	.			trans	-113.4	136.5	178.7	-75.4	-98.6	0	0	0	110.8	P641 L721 G723	P641-F725 HydrophobicContact CG-CZ 4.06Å; L721-F725 HydrophobicContact CB-CD2 3.63Å; L721-F725 HydrophobicContact CB-CE2 3.31Å; L721-F725 HydrophobicContact CB-CZ 4Å; L721-F725 HydrophobicContact CD1-CD2 4Å; L721-F725 HydrophobicContact CD1-CE2 4.31Å; L721-F725 HydrophobicContact CD1-CG 4.22Å; L721-F725 HydrophobicContact CD2-CD1 4.21Å; L721-F725 HydrophobicContact CD2-CD2 4.12Å; L721-F725 HydrophobicContact CD2-CE1 3.69Å; L721-F725 HydrophobicContact CD2-CE2 3.66Å; L721-F725 HydrophobicContact CD2-CG 4.42Å; L721-F725 HydrophobicContact CD2-CZ 3.4Å; L721-F725 VanDerWaalsContact CD2-CZ 3.4Å; L721-F725 HydrophobicContact CG-CD2 4.07Å; L721-F725 HydrophobicContact CG-CE2 3.86Å; L721-F725 HydrophobicContact CG-CZ 4.14Å; G723-F725 WeakPolarHBondContact O-CD2 3.43Å; G723-F725 WeakPolarHBondContact O-CE2 3.45Å
726	E	49	Very low	54.4	Low	147 Å²	147	78.8 Å²	78.8	69%	0.687	44%	0.44	S	S	*	.			trans	-99	145.8	165.9	-64.1	-152.9	164	0	0	110.5	P728 H729	E726-P728 VanDerWaalsContact C-N 3.31Å; E726-P728 WeakPolarHBondContact O-CD 3.5Å; E726-P728 VanDerWaalsContact O-N 3.11Å; E726-H729 WeakPolarHBondContact O-CB 3.38Å; E726-H729 PolarHBondContact O-N 3.02Å
727	Y	50.4	Low	55.4	Low	60 Å²	60	79.2 Å²	79.2	24%	0.235	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-46.9	-37.3	-175.8	175.3	-109.1	0	0	0	116.4	V706 Q710 H729 V730	V706-Y727 WeakPolarHBondContact CG1-OH 3.11Å; Q710-Y727 HydrophobicContact CB-CD2 4.07Å; Q710-Y727 HydrophobicContact CB-CE2 3.37Å; Q710-Y727 HydrophobicContact CG-CD2 3.56Å; Q710-Y727 HydrophobicContact CG-CE2 3.33Å; Q710-Y727 HydrophobicContact CG-CG 4.42Å; Y727-H729 PolarHBondContact O-N 3.45Å; Y727-V730 HydrophobicContact CD2-CG2 4.16Å; Y727-V730 VanDerWaalsContact O-CB 3.25Å; Y727-V730 WeakPolarHBondContact O-CB 3.49Å; Y727-V730 WeakPolarHBondContact O-CG2 3.36Å; Y727-V730 PolarHBondContact O-N 3.36Å
728	P	52.1	Low	57	Low	48 Å²	48	76.4 Å²	76.4	31%	0.312	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-60.6	-19.8	-179.8	-21.1	32.5	0	0	0	113.4	E726 V730 V913	E726-P728 VanDerWaalsContact C-N 3.31Å; E726-P728 WeakPolarHBondContact O-CD 3.5Å; E726-P728 VanDerWaalsContact O-N 3.11Å; P728-V730 VanDerWaalsContact C-N 3.34Å; P728-V913 HydrophobicContact CB-CG2 3.96Å; P728-V913 WeakPolarHBondContact O-CG2 3.32Å
729	H	53.2	Low	59	Low	121 Å²	121	67 Å²	67	56%	0.56	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-91.2	5	-175.3	-61.1	-172.1	0	0	0	113.5	E726 Y727 V913	E726-H729 WeakPolarHBondContact O-CB 3.38Å; E726-H729 PolarHBondContact O-N 3.02Å; Y727-H729 PolarHBondContact O-N 3.45Å; H729-V913 WeakPolarHBondContact CD2-CG2 3.46Å
730	V	58.9	Low	60.9	Low	17 Å²	17	64.5 Å²	64.5	10%	0.103	37%	0.371	C	S	.	.	S	Bend	trans	-77.4	-45.6	-170.5	168.8	0	0	0	0	112.1	I643 V709 V713 Y727 P728	I643-V730 HydrophobicContact CD1-CB 4.34Å; I643-V730 HydrophobicContact CD1-CG1 3.33Å; I643-V730 WeakPolarHBondContact CD1-O 3.45Å; V709-V730 HydrophobicContact CG1-CG1 3.78Å; V713-V730 HydrophobicContact CG1-CG2 4.17Å; V713-V730 HydrophobicContact CG2-CG1 3.67Å; V713-V730 HydrophobicContact CG2-CG2 4.31Å; Y727-V730 HydrophobicContact CD2-CG2 4.16Å; Y727-V730 VanDerWaalsContact O-CB 3.25Å; Y727-V730 WeakPolarHBondContact O-CB 3.49Å; Y727-V730 WeakPolarHBondContact O-CG2 3.36Å; Y727-V730 PolarHBondContact O-N 3.36Å; P728-V730 VanDerWaalsContact C-N 3.34Å
731	L	69.1	Low	63.2	Low	19 Å²	19	63.9 Å²	63.9	10%	0.099	36%	0.363	C	S	.	.			trans	-100.5	134.1	-177.9	-65.2	179.7	0	0	0	111.1	I643 I648 V706 V709 H735 V736 I739 L914	I643-L731 HydrophobicContact CD1-CD2 4.43Å; I648-L731 HydrophobicContact CD1-CD2 3.65Å; V706-L731 HydrophobicContact CG2-CD1 4.44Å; V709-L731 HydrophobicContact CG1-CD2 3.87Å; V709-L731 HydrophobicContact CG1-CG 4.46Å; L731-H735 HydrophobicContact CB-CB 4.26Å; L731-H735 HydrophobicContact CD2-CB 3.89Å; L731-V736 HydrophobicContact CB-CG2 4.09Å; L731-I739 HydrophobicContact CD1-CD1 3.7Å; L731-I739 HydrophobicContact CD2-CD1 4.25Å; L731-L914 WeakPolarHBondContact O-CD1 3.33Å
732	S	68.6	Low	65.6	Low	32 Å²	32	64 Å²	64	22%	0.224	36%	0.364	C	S	.	.			trans	-84.5	167.2	171	77.7	0	0	0	0	110.7	A734 H735 V736 L914	S732-A734 PolarHBondContact O-N 3.36Å; S732-A734 PolarHBondContact OG-N 3.11Å; S732-H735 PolarHBondContact N-ND1 3.22Å; S732-H735 VanDerWaalsContact N-ND1 3.15Å; S732-H735 WeakPolarHBondContact O-CA 3.32Å; S732-H735 WeakPolarHBondContact O-CB 3.46Å; S732-H735 PolarHBondContact O-N 2.88Å; S732-H735 PolarHBondContact OG-CD2 3.39Å; S732-H735 PolarHBondContact OG-CE1 3.13Å; S732-H735 PolarHBondContact OG-N 3.04Å; S732-H735 VanDerWaalsContact OG-N 3.08Å; S732-H735 PolarHBondContact OG-ND1 3.11Å; S732-H735 PolarHBondContact OG-NE2 3.44Å; S732-V736 PolarHBondContact O-N 2.82Å; S732-L914 VanDerWaalsContact CA-CD1 3.42Å
733	A	68.4	Low	68.3	Low	49 Å²	49	59.3 Å²	59.3	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-37.2	177	0	0	0	0	0	110.1	H735 V736 A737 L914	A733-H735 VanDerWaalsContact C-N 3.31Å; A733-H735 PolarHBondContact O-N 3.44Å; A733-V736 PolarHBondContact O-N 3.48Å; A733-A737 VanDerWaalsContact O-CB 3.3Å; A733-A737 WeakPolarHBondContact O-CB 3.46Å; A733-A737 PolarHBondContact O-N 2.87Å; A733-L914 HydrophobicContact CB-CB 3.7Å; A733-L914 HydrophobicContact CB-CD1 4.39Å; A733-L914 HydrophobicContact CB-CD2 3.59Å; A733-L914 HydrophobicContact CB-CG 4.02Å
734	A	72.4	Confident	70.3	Confident	67 Å²	67	58.4 Å²	58.4	55%	0.554	32%	0.322	S	S	*	.	H	α-helix	trans	-62.8	-38.2	173.7	0	0	0	0	0	111.4	S732 L738	S732-A734 PolarHBondContact O-N 3.36Å; S732-A734 PolarHBondContact OG-N 3.11Å; A734-L738 WeakPolarHBondContact O-CB 3.37Å; A734-L738 PolarHBondContact O-N 3.45Å
735	H	79.8	Confident	72.4	Confident	17 Å²	17	48.5 Å²	48.5	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-69	-41.9	175.6	-56.6	154.3	0	0	0	112.3	I643 I648 L731 S732 A733 L738 I739	I643-H735 PolarHBondContact O-CE1 3.15Å; I643-H735 PolarHBondContact O-NE2 3.27Å; I648-H735 HydrophobicContact CD1-CB 4.42Å; I648-H735 HydrophobicContact CG1-CB 4.45Å; L731-H735 HydrophobicContact CB-CB 4.26Å; L731-H735 HydrophobicContact CD2-CB 3.89Å; S732-H735 PolarHBondContact N-ND1 3.22Å; S732-H735 VanDerWaalsContact N-ND1 3.15Å; S732-H735 WeakPolarHBondContact O-CA 3.32Å; S732-H735 WeakPolarHBondContact O-CB 3.46Å; S732-H735 PolarHBondContact O-N 2.88Å; S732-H735 PolarHBondContact OG-CD2 3.39Å; S732-H735 PolarHBondContact OG-CE1 3.13Å; S732-H735 PolarHBondContact OG-N 3.04Å; S732-H735 VanDerWaalsContact OG-N 3.08Å; S732-H735 PolarHBondContact OG-ND1 3.11Å; S732-H735 PolarHBondContact OG-NE2 3.44Å; A733-H735 VanDerWaalsContact C-N 3.31Å; A733-H735 PolarHBondContact O-N 3.44Å; H735-L738 PolarHBondContact O-N 2.75Å; H735-I739 VanDerWaalsContact O-CG1 3.28Å; H735-I739 WeakPolarHBondContact O-CG1 3.4Å; H735-I739 PolarHBondContact O-N 2.94Å
736	V	77.2	Confident	74	Confident	4 Å²	4	49 Å²	49	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-45.3	176.4	173.6	0	0	0	0	110.6	L731 S732 A733 L738 I739 S740 F915	L731-V736 HydrophobicContact CB-CG2 4.09Å; S732-V736 PolarHBondContact O-N 2.82Å; A733-V736 PolarHBondContact O-N 3.48Å; V736-L738 VanDerWaalsContact C-N 3.32Å; V736-L738 PolarHBondContact O-N 2.84Å; V736-I739 PolarHBondContact O-N 3.37Å; V736-S740 PolarHBondContact O-N 3.48Å; V736-S740 PolarHBondContact O-OG 3.33Å; V736-F915 HydrophobicContact CG1-CE2 4.02Å; V736-F915 HydrophobicContact CG1-CZ 3.94Å
737	A	78.5	Confident	74.6	Confident	55 Å²	55	45.6 Å²	45.6	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-43.2	174.6	0	0	0	0	0	111.7	A733 S740 E741	A733-A737 VanDerWaalsContact O-CB 3.3Å; A733-A737 WeakPolarHBondContact O-CB 3.46Å; A733-A737 PolarHBondContact O-N 2.87Å; A737-S740 PolarHBondContact O-N 3.02Å; A737-E741 WeakPolarHBondContact O-CB 3.34Å; A737-E741 PolarHBondContact O-N 2.87Å
738	L	85.8	Confident	74.9	Confident	34 Å²	34	50 Å²	50	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-43.3	175.9	-179.2	63.5	0	0	0	112	A645 I648 A734 H735 V736 E741 L742	A645-L738 HydrophobicContact CB-CD2 3.96Å; I648-L738 HydrophobicContact CB-CD2 4.13Å; I648-L738 HydrophobicContact CG2-CD2 3.93Å; I648-L738 HydrophobicContact CG2-CG 4.1Å; A734-L738 WeakPolarHBondContact O-CB 3.37Å; A734-L738 PolarHBondContact O-N 3.45Å; H735-L738 PolarHBondContact O-N 2.75Å; V736-L738 VanDerWaalsContact C-N 3.32Å; V736-L738 PolarHBondContact O-N 2.84Å; L738-E741 PolarHBondContact O-N 2.78Å; L738-L742 HydrophobicContact CD1-CD1 3.81Å; L738-L742 HydrophobicContact CD1-CD2 4.46Å; L738-L742 HydrophobicContact CD1-CG 3.94Å; L738-L742 HydrophobicContact CD2-CD1 4.5Å; L738-L742 HydrophobicContact CG-CD1 3.78Å; L738-L742 HydrophobicContact CG-CG 4.3Å; L738-L742 WeakPolarHBondContact O-CB 3.48Å; L738-L742 WeakPolarHBondContact O-CG 3.39Å; L738-L742 PolarHBondContact O-N 2.72Å
739	I	87.6	Confident	75.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-47.6	175.1	-66	165.2	0	0	0	110	I648 Y702 T705 L731 H735 V736 E741 L742 T743	I648-I739 HydrophobicContact CD1-CD1 4.26Å; I648-I739 HydrophobicContact CD1-CG1 4.47Å; I648-I739 HydrophobicContact CG2-CD1 4.42Å; I648-I739 HydrophobicContact CG2-CG1 3.52Å; Y702-I739 HydrophobicContact CD2-CG2 3.53Å; Y702-I739 HydrophobicContact CE2-CB 4.26Å; Y702-I739 HydrophobicContact CE2-CG2 3.68Å; Y702-I739 HydrophobicContact CG-CG2 4.19Å; T705-I739 HydrophobicContact CG2-CD1 4.23Å; T705-I739 HydrophobicContact CG2-CG1 4.08Å; T705-I739 HydrophobicContact CG2-CG2 3.98Å; L731-I739 HydrophobicContact CD1-CD1 3.7Å; L731-I739 HydrophobicContact CD2-CD1 4.25Å; H735-I739 VanDerWaalsContact O-CG1 3.28Å; H735-I739 WeakPolarHBondContact O-CG1 3.4Å; H735-I739 PolarHBondContact O-N 2.94Å; V736-I739 PolarHBondContact O-N 3.37Å; I739-E741 VanDerWaalsContact C-N 3.33Å; I739-E741 PolarHBondContact O-N 2.84Å; I739-L742 PolarHBondContact O-N 2.88Å; I739-T743 HydrophobicContact CG2-CG2 4.03Å; I739-T743 WeakPolarHBondContact O-CB 3.29Å; I739-T743 WeakPolarHBondContact O-CG2 3.24Å; I739-T743 PolarHBondContact O-N 3.44Å; I739-T743 PolarHBondContact O-OG1 3.26Å
740	S	85.5	Confident	76.5	Confident	10 Å²	10	54.2 Å²	54.2	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-44.8	178.5	-62.9	0	0	0	0	112.1	V736 A737 T743 G744 C745	V736-S740 PolarHBondContact O-N 3.48Å; V736-S740 PolarHBondContact O-OG 3.33Å; A737-S740 PolarHBondContact O-N 3.02Å; S740-T743 PolarHBondContact O-OG1 3.03Å; S740-G744 CarbonylContact O-C 3.44Å; S740-G744 WeakPolarHBondContact O-CA 3.43Å; S740-G744 PolarHBondContact O-N 2.79Å; S740-C745 PolarHBondContact O-N 3.02Å
741	E	87.7	Confident	77.4	Confident	145 Å²	145	58.9 Å²	58.9	68%	0.678	33%	0.325	S	S	*	.	H	α-helix	trans	-61.7	-50.8	176.8	-175.9	-176.7	170	0	0	111.7	A737 L738 I739 T743 G744	A737-E741 WeakPolarHBondContact O-CB 3.34Å; A737-E741 PolarHBondContact O-N 2.87Å; L738-E741 PolarHBondContact O-N 2.78Å; I739-E741 VanDerWaalsContact C-N 3.33Å; I739-E741 PolarHBondContact O-N 2.84Å; E741-T743 VanDerWaalsContact C-N 3.33Å; E741-T743 PolarHBondContact O-N 2.65Å; E741-G744 PolarHBondContact O-N 3.28Å
742	L	91.3	Very high	78.1	Confident	61 Å²	61	59.7 Å²	59.7	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-69.3	-29.5	-176.3	-66.6	173.7	0	0	0	113.4	I648 H649 V652 L738 I739	I648-L742 HydrophobicContact CG2-CD1 4.3Å; H649-L742 WeakPolarHBondContact ND1-CD1 3.16Å; V652-L742 HydrophobicContact CB-CB 4.42Å; V652-L742 HydrophobicContact CG1-CB 3.91Å; V652-L742 HydrophobicContact CG2-CB 4.11Å; V652-L742 HydrophobicContact CG2-CD1 4.12Å; L738-L742 HydrophobicContact CD1-CD1 3.81Å; L738-L742 HydrophobicContact CD1-CD2 4.46Å; L738-L742 HydrophobicContact CD1-CG 3.94Å; L738-L742 HydrophobicContact CD2-CD1 4.5Å; L738-L742 HydrophobicContact CG-CD1 3.78Å; L738-L742 HydrophobicContact CG-CG 4.3Å; L738-L742 WeakPolarHBondContact O-CB 3.48Å; L738-L742 WeakPolarHBondContact O-CG 3.39Å; L738-L742 PolarHBondContact O-N 2.72Å; I739-L742 PolarHBondContact O-N 2.88Å
743	T	90.6	Very high	78.6	Confident	10 Å²	10	63.8 Å²	63.8	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-89.5	-15.2	179.1	59.5	0	0	0	0	113.2	V652 I701 I739 S740 E741 C745	V652-T743 HydrophobicContact CG1-CG2 3.92Å; V652-T743 HydrophobicContact CG2-CG2 4.11Å; I701-T743 HydrophobicContact CB-CG2 4.31Å; I701-T743 HydrophobicContact CG2-CG2 3.59Å; I739-T743 HydrophobicContact CG2-CG2 4.03Å; I739-T743 WeakPolarHBondContact O-CB 3.29Å; I739-T743 WeakPolarHBondContact O-CG2 3.24Å; I739-T743 PolarHBondContact O-N 3.44Å; I739-T743 PolarHBondContact O-OG1 3.26Å; S740-T743 PolarHBondContact O-OG1 3.03Å; E741-T743 VanDerWaalsContact C-N 3.33Å; E741-T743 PolarHBondContact O-N 2.65Å; T743-C745 PolarHBondContact O-N 2.88Å; T743-C745 WeakPolarHBondContact OG1-CB 3.21Å; T743-C745 PolarHBondContact OG1-N 3.43Å
744	G	86.7	Confident	79.5	Confident	35 Å²	35	62.1 Å²	62.1	36%	0.361	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	8.5	-170.1	0	0	0	0	0	113.7	S740 E741 N746	S740-G744 CarbonylContact O-C 3.44Å; S740-G744 WeakPolarHBondContact O-CA 3.43Å; S740-G744 PolarHBondContact O-N 2.79Å; E741-G744 PolarHBondContact O-N 3.28Å; G744-N746 PolarHBondContact O-N 3.31Å
745	C	85.1	Confident	80.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.345	C	S	.	.			trans	-83.5	65.7	-177.2	-165.5	0	0	0	0	111.3	A698 Y702 S740 T743 C906	A698-C745 HydrophobicContact CB-CB 4.16Å; Y702-C745 HydrophobicContact CD2-CB 4.02Å; Y702-C745 HydrophobicContact CG-CB 4.34Å; S740-C745 PolarHBondContact O-N 3.02Å; T743-C745 PolarHBondContact O-N 2.88Å; T743-C745 WeakPolarHBondContact OG1-CB 3.21Å; T743-C745 PolarHBondContact OG1-N 3.43Å; C745-C906 WeakPolarHBondContact CA-SG 3.36Å; C745-C906 HydrophobicContact CB-CB 4.06Å; C745-C906 WeakPolarHBondContact CB-SG 3.27Å; C745-C906 WeakPolarHBondContact SG-CA 3.24Å; C745-C906 WeakPolarHBondContact SG-CB 3.1Å; C745-C906 CovalentContact SG-SG 2.04Å; C745-C906 PolarHBondContact SG-SG 3.36Å
746	N	75.8	Confident	80.4	Confident	98 Å²	98	66.7 Å²	66.7	52%	0.524	36%	0.364	S	S	.	.			trans	-69.5	132.7	-178.9	-66.8	-31.2	0	0	0	110.9	G744 H748 C906	G744-N746 PolarHBondContact O-N 3.31Å; N746-H748 PolarHBondContact O-N 3.06Å; N746-C906 VanDerWaalsContact O-CB 3.24Å; N746-C906 WeakPolarHBondContact O-CB 3.32Å
747	I	62.2	Low	80.9	Confident	75 Å²	75	69.8 Å²	69.8	39%	0.385	38%	0.379	S	S	.	.	S	Bend	trans	-63	-24.4	-177.3	-58.9	174.7	0	0	0	111.7	F915	I747-F915 HydrophobicContact CD1-CZ 4.41Å
748	H	57.4	Low	81.2	Confident	153 Å²	153	72 Å²	72	71%	0.708	39%	0.39	S	S	*	.	S	Bend	trans	-118.2	120.3	-176.4	-57.2	-58	0	0	0	110.1	N746	N746-H748 PolarHBondContact O-N 3.06Å
749	R	67.7	Low	81.4	Confident	77 Å²	77	72.9 Å²	72.9	29%	0.291	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-58	136.3	156.3	-175	177	176.4	-156.7	-6.5	107.1	M751 D767 L777 S780 S781	R749-M751 PolarHBondContact O-N 3.31Å; R749-D767 IonicContact CZ-OD2 3.6Å; R749-D767 IonicContact NH1-OD2 3.71Å; R749-D767 IonicContact NH2-OD2 2.72Å; R749-D767 PolarHBondContact NH2-OD2 2.97Å; R749-L777 HydrophobicContact CB-CD1 4.27Å; R749-S780 PolarHBondContact NH1-OG 3.49Å; R749-S781 PolarHBondContact NH1-O 3.46Å
750	E	70.2	Confident	81.6	Confident	180 Å²	180	74 Å²	74	84%	0.841	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-55.1	125.3	175.5	-71.2	-175.9	178.1	0	0	109.2	P752	E750-P752 WeakPolarHBondContact O-CD 3.27Å
751	M	78.4	Confident	81.7	Confident	116 Å²	116	82 Å²	82	57%	0.571	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-67.2	122.7	179.5	-72.9	-74.2	-85.4	0	0	108.3	R749 T753 P776 L777	R749-M751 PolarHBondContact O-N 3.31Å; M751-T753 PolarHBondContact O-N 2.8Å; M751-P776 HydrophobicContact CE-CG 4.38Å; M751-L777 HydrophobicContact SD-CD1 3.52Å; M751-L777 VanDerWaalsContact SD-CD1 3.52Å; M751-L777 HydrophobicContact SD-CG 3.77Å
752	P	83.1	Confident	81.9	Confident	36 Å²	36	80.9 Å²	80.9	23%	0.234	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-63	138.4	178.1	23.7	-29.7	0	0	0	109.3	E750 C754 P776 L777	E750-P752 WeakPolarHBondContact O-CD 3.27Å; P752-C754 PolarHBondContact O-N 3.21Å; P752-P776 HydrophobicContact CG-CB 3.81Å; P752-L777 HydrophobicContact CG-CD2 4.13Å
753	T	79.1	Confident	82.1	Confident	118 Å²	118	79 Å²	79	72%	0.724	41%	0.408	S	S	*	.			trans	-70.4	-18.2	-174	56.7	0	0	0	0	113.3	M751 S755	M751-T753 PolarHBondContact O-N 2.8Å; T753-S755 PolarHBondContact O-N 3.4Å; T753-S755 PolarHBondContact OG1-OG 3.36Å
754	C	87.9	Confident	82.4	Confident	14 Å²	14	80.2 Å²	80.2	10%	0.095	41%	0.411	C	S	.	.			trans	47.5	28.5	-172.2	-50.5	0	0	0	0	113.2	P752 D756 C770	P752-C754 PolarHBondContact O-N 3.21Å; C754-D756 PolarHBondContact O-N 2.98Å; C754-C770 WeakPolarHBondContact CA-SG 3.14Å; C754-C770 HydrophobicContact CB-CB 3.84Å; C754-C770 WeakPolarHBondContact CB-SG 3.4Å; C754-C770 WeakPolarHBondContact SG-CB 3.27Å; C754-C770 CovalentContact SG-SG 2.03Å; C754-C770 PolarHBondContact SG-SG 2.81Å
755	S	84.2	Confident	82.8	Confident	94 Å²	94	79 Å²	79	66%	0.657	40%	0.397	S	S	*	.			trans	-72.9	-27.8	-167.3	49.1	0	0	0	0	113.3	T753 M757	T753-S755 PolarHBondContact O-N 3.4Å; T753-S755 PolarHBondContact OG1-OG 3.36Å; S755-M757 PolarHBondContact O-N 3.02Å
756	D	86.8	Confident	83.2	Confident	86 Å²	86	82.6 Å²	82.6	46%	0.46	41%	0.411	S	S	.	.			trans	-78.6	74.8	171.5	-170.7	-9.6	0	0	0	110.5	C754 C758 F759 H760	C754-D756 PolarHBondContact O-N 2.98Å; D756-C758 PolarHBondContact O-N 3.38Å; D756-C758 WeakPolarHBondContact OD1-CB 3.23Å; D756-C758 PolarHBondContact OD1-N 3.2Å; D756-C758 VanDerWaalsContact OD1-N 3.14Å; D756-F759 HydrophobicContact CB-CB 4.17Å; D756-F759 VanDerWaalsContact CG-CB 3.42Å; D756-F759 PolarHBondContact O-N 3.49Å; D756-F759 PolarHBondContact OD1-N 2.95Å; D756-F759 VanDerWaalsContact OD2-CB 3.28Å; D756-F759 WeakPolarHBondContact OD2-CB 3.17Å; D756-H760 PolarHBondContact O-CD2 2.89Å; D756-H760 PolarHBondContact O-N 3.15Å
757	M	87.3	Confident	84.1	Confident	69 Å²	69	78.3 Å²	78.3	34%	0.34	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-21.1	177	-69.6	-59.8	-60.3	0	0	112.5	S755 R761 F773	S755-M757 PolarHBondContact O-N 3.02Å; M757-R761 HydrophobicContact CE-CG 4.22Å; M757-R761 WeakPolarHBondContact O-CB 3.31Å; M757-R761 VanDerWaalsContact O-CD 3.29Å; M757-R761 WeakPolarHBondContact O-CD 3.49Å; M757-R761 WeakPolarHBondContact O-CG 3.5Å; M757-R761 PolarHBondContact O-N 2.78Å; M757-R761 VanDerWaalsContact O-N 3.16Å; M757-F773 HydrophobicContact CE-CE1 4.06Å; M757-F773 HydrophobicContact CE-CE2 4.45Å; M757-F773 HydrophobicContact CE-CZ 3.93Å; M757-F773 HydrophobicContact SD-CE1 4.16Å
758	C	84.7	Confident	85.7	Confident	102 Å²	102	74.9 Å²	74.9	69%	0.689	37%	0.371	S	S	*	.	H	α-helix	trans	-71	-44.3	176.1	-79.3	0	0	0	0	111	D756	D756-C758 PolarHBondContact O-N 3.38Å; D756-C758 WeakPolarHBondContact OD1-CB 3.23Å; D756-C758 PolarHBondContact OD1-N 3.2Å; D756-C758 VanDerWaalsContact OD1-N 3.14Å
759	F	90.9	Very high	87.4	Confident	51 Å²	51	68 Å²	68	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-68.2	-56.4	172.9	179.7	-91.1	0	0	0	111.4	D756 R761 K762 Y763 R764	D756-F759 HydrophobicContact CB-CB 4.17Å; D756-F759 VanDerWaalsContact CG-CB 3.42Å; D756-F759 PolarHBondContact O-N 3.49Å; D756-F759 PolarHBondContact OD1-N 2.95Å; D756-F759 VanDerWaalsContact OD2-CB 3.28Å; D756-F759 WeakPolarHBondContact OD2-CB 3.17Å; F759-R761 PolarHBondContact O-N 3.07Å; F759-R761 VanDerWaalsContact O-N 3.1Å; F759-K762 PolarHBondContact O-N 3.46Å; F759-Y763 AromaticContact CD2-CD2 3.99Å; F759-Y763 HydrophobicContact CD2-CD2 3.99Å; F759-Y763 HydrophobicContact CE2-CD2 4.05Å; F759-Y763 HydrophobicContact CE2-CG 4.38Å; F759-Y763 PolarHBondContact O-N 2.73Å; F759-R764 WeakPolarHBondContact CZ-O 3.43Å
760	H	90.9	Very high	88.7	Confident	24 Å²	24	64.3 Å²	64.3	11%	0.111	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-17.8	-172.4	-68.4	-60.5	0	0	0	114	D756 F773 R1282 F1283	D756-H760 PolarHBondContact O-CD2 2.89Å; D756-H760 PolarHBondContact O-N 3.15Å; H760-F773 HydrophobicContact CB-CE1 4.11Å; H760-F773 HydrophobicContact CB-CZ 4.44Å; H760-R1282 VanDerWaalsContact O-CZ 3.24Å; H760-R1282 PolarHBondContact O-NH1 3.05Å; H760-R1282 PolarHBondContact O-NH2 3.41Å; H760-F1283 VanDerWaalsContact O-CZ 3.28Å; H760-F1283 WeakPolarHBondContact O-CZ 3.5Å
761	R	88.6	Confident	90	Very high	178 Å²	178	55.9 Å²	55.9	67%	0.672	29%	0.287	S	S	*	.	H	α-helix	trans	-74.8	-28.2	169.3	-78.1	174.7	178	-174	0.8	113	M757 F759	M757-R761 HydrophobicContact CE-CG 4.22Å; M757-R761 WeakPolarHBondContact O-CB 3.31Å; M757-R761 VanDerWaalsContact O-CD 3.29Å; M757-R761 WeakPolarHBondContact O-CD 3.49Å; M757-R761 WeakPolarHBondContact O-CG 3.5Å; M757-R761 PolarHBondContact O-N 2.78Å; M757-R761 VanDerWaalsContact O-N 3.16Å; F759-R761 PolarHBondContact O-N 3.07Å; F759-R761 VanDerWaalsContact O-N 3.1Å
762	K	91	Very high	90.7	Very high	122 Å²	122	50.5 Å²	50.5	53%	0.53	26%	0.26	S	S	.	.	H	α-helix	trans	-105.1	-37.1	-171.8	-67.9	-177	179.6	179.1	0	113.9	F759 K1054	F759-K762 PolarHBondContact O-N 3.46Å; K762-K1054 PolarHBondContact O-NZ 2.81Å
763	Y	96.2	Very high	91.2	Very high	22 Å²	22	52.7 Å²	52.7	9%	0.086	27%	0.266	C	S	.	.	S	Bend	trans	-133.3	152.4	-171	-52.4	-60.4	0	0	0	112.8	F759 K1047 Q1050 E1051 K1054 F1283	F759-Y763 AromaticContact CD2-CD2 3.99Å; F759-Y763 HydrophobicContact CD2-CD2 3.99Å; F759-Y763 HydrophobicContact CE2-CD2 4.05Å; F759-Y763 HydrophobicContact CE2-CG 4.38Å; F759-Y763 PolarHBondContact O-N 2.73Å; Y763-K1047 VanDerWaalsContact OH-CD 3.31Å; Y763-K1047 WeakPolarHBondContact OH-CD 3.36Å; Y763-K1047 PolarHBondContact OH-NZ 3.07Å; Y763-Q1050 HydrophobicContact CD1-CB 3.72Å; Y763-Q1050 HydrophobicContact CD2-CB 4.15Å; Y763-Q1050 HydrophobicContact CD2-CG 4.31Å; Y763-Q1050 HydrophobicContact CE1-CB 3.72Å; Y763-Q1050 HydrophobicContact CE2-CB 4.14Å; Y763-Q1050 HydrophobicContact CG-CB 3.95Å; Y763-Q1050 HydrophobicContact CG-CG 4.32Å; Y763-E1051 HydrophobicContact CE1-CG 4.36Å; Y763-E1051 WeakPolarHBondContact CE1-OE1 3.34Å; Y763-E1051 PolarHBondContact OH-OE1 3.06Å; Y763-K1054 HydrophobicContact CD1-CD 4.4Å; Y763-K1054 HydrophobicContact CE1-CD 4.44Å; Y763-F1283 WeakPolarHBondContact O-CZ 3.42Å
764	R	96.7	Very high	91.8	Very high	34 Å²	34	50.5 Å²	50.5	13%	0.128	26%	0.261	C	S	.	.			trans	-73.8	141.8	171.3	-61.7	173.7	-175	-86.1	0	109.7	F759 N771 R1053 Q1061 D1281 F1283	F759-R764 WeakPolarHBondContact CZ-O 3.43Å; R764-N771 PolarHBondContact NH1-ND2 2.58Å; R764-R1053 PolarHBondContact O-NH1 3.1Å; R764-Q1061 VanDerWaalsContact NH2-NE2 3.11Å; R764-D1281 IonicContact CZ-OD1 2.84Å; R764-D1281 IonicContact CZ-OD2 3.62Å; R764-D1281 IonicContact NH1-OD1 3.17Å; R764-D1281 PolarHBondContact NH1-OD1 3Å; R764-D1281 IonicContact NH1-OD2 2.78Å; R764-D1281 PolarHBondContact NH1-OD2 3.31Å; R764-D1281 VanDerWaalsContact NH2-CG 3.33Å; R764-D1281 IonicContact NH2-OD1 3.6Å; R764-D1281 PolarHBondContact NH2-OD1 3.28Å; R764-D1281 IonicContact NH2-OD2 2.75Å; R764-D1281 PolarHBondContact NH2-OD2 2.72Å; R764-F1283 HydrophobicContact CB-CE2 4.49Å; R764-F1283 HydrophobicContact CG-CB 3.98Å; R764-F1283 HydrophobicContact CG-CD1 4.31Å; R764-F1283 HydrophobicContact CG-CD2 3.53Å; R764-F1283 HydrophobicContact CG-CE2 3.95Å; R764-F1283 HydrophobicContact CG-CG 3.71Å; R764-F1283 PolarHBondContact NH2-O 2.91Å
765	S	95.5	Very high	92	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.063	28%	0.275	C	S	.	.			trans	-64	165.4	162.7	66.3	0	0	0	0	110.3	D767 G768 S769 R1053	S765-D767 VanDerWaalsContact C-N 3.29Å; S765-D767 WeakPolarHBondContact CB-OD1 3.31Å; S765-D767 PolarHBondContact OG-OD1 2.93Å; S765-G768 PolarHBondContact OG-N 3.14Å; S765-G768 VanDerWaalsContact OG-N 3.15Å; S765-S769 PolarHBondContact OG-N 2.78Å; S765-S769 PolarHBondContact OG-O 3.29Å; S765-S769 VanDerWaalsContact OG-O 3.08Å; S765-S769 PolarHBondContact OG-OG 3.05Å; S765-R1053 PolarHBondContact O-NH2 3.3Å
766	Y	93	Very high	92.4	Very high	77 Å²	77	50 Å²	50	30%	0.302	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-31.5	175.7	53.8	-99.9	0	0	0	112	T928 S939 E940 E941	Y766-T928 WeakPolarHBondContact O-CG2 3.28Å; Y766-S939 WeakPolarHBondContact O-CA 3.42Å; Y766-E940 VanDerWaalsContact CD2-C 3.47Å; Y766-E941 HydrophobicContact CD1-CB 4.11Å; Y766-E941 HydrophobicContact CD1-CG 4.05Å; Y766-E941 HydrophobicContact CD2-CB 4.19Å; Y766-E941 HydrophobicContact CE1-CB 3.61Å; Y766-E941 HydrophobicContact CE1-CG 3.54Å; Y766-E941 HydrophobicContact CE2-CB 3.74Å; Y766-E941 VanDerWaalsContact CE2-N 3.3Å; Y766-E941 HydrophobicContact CG-CB 4.38Å; Y766-E941 VanDerWaalsContact CZ-CB 3.42Å; Y766-E941 PolarHBondContact OH-OE2 3.26Å
767	D	93.5	Very high	92.7	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.043	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4.3	-176.1	72.3	-19.3	0	0	0	113.5	R749 S765 S769 S780 S781 T928 S939	R749-D767 IonicContact CZ-OD2 3.6Å; R749-D767 IonicContact NH1-OD2 3.71Å; R749-D767 IonicContact NH2-OD2 2.72Å; R749-D767 PolarHBondContact NH2-OD2 2.97Å; S765-D767 VanDerWaalsContact C-N 3.29Å; S765-D767 WeakPolarHBondContact CB-OD1 3.31Å; S765-D767 PolarHBondContact OG-OD1 2.93Å; D767-S769 PolarHBondContact O-N 2.8Å; D767-S769 VanDerWaalsContact OD1-CB 3.25Å; D767-S769 WeakPolarHBondContact OD1-CB 3.46Å; D767-S769 PolarHBondContact OD1-N 3.04Å; D767-S769 PolarHBondContact OD1-OG 2.81Å; D767-S769 PolarHBondContact OD2-OG 3.11Å; D767-S780 CarbonylContact O-C 3.6Å; D767-S780 WeakPolarHBondContact O-CA 3.24Å; D767-S780 VanDerWaalsContact O-CB 3.29Å; D767-S780 WeakPolarHBondContact O-CB 3.23Å; D767-S781 VanDerWaalsContact CB-OG 3.31Å; D767-S781 WeakPolarHBondContact CB-OG 3.45Å; D767-S781 PolarHBondContact O-N 3.01Å; D767-T928 VanDerWaalsContact C-CG2 3.42Å; D767-S939 WeakPolarHBondContact CA-O 3.16Å
768	G	95.8	Very high	93	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.021	23%	0.23	C	C	.	.			trans	75	-1.5	-178.3	0	0	0	0	0	115.4	S765 Y930	S765-G768 PolarHBondContact OG-N 3.14Å; S765-G768 VanDerWaalsContact OG-N 3.15Å; G768-Y930 WeakPolarHBondContact O-CE2 3.22Å
769	S	94.6	Very high	93.5	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.063	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	159.6	175.2	67	0	0	0	0	113.9	S765 D767 N771 P776	S765-S769 PolarHBondContact OG-N 2.78Å; S765-S769 PolarHBondContact OG-O 3.29Å; S765-S769 VanDerWaalsContact OG-O 3.08Å; S765-S769 PolarHBondContact OG-OG 3.05Å; D767-S769 PolarHBondContact O-N 2.8Å; D767-S769 VanDerWaalsContact OD1-CB 3.25Å; D767-S769 WeakPolarHBondContact OD1-CB 3.46Å; D767-S769 PolarHBondContact OD1-N 3.04Å; D767-S769 PolarHBondContact OD1-OG 2.81Å; D767-S769 PolarHBondContact OD2-OG 3.11Å; S769-N771 PolarHBondContact O-N 3.13Å; S769-P776 CarbonylContact C-O 3.45Å; S769-P776 VanDerWaalsContact CA-O 3.25Å; S769-P776 WeakPolarHBondContact CA-O 3.4Å
770	C	95.1	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	14.7	-179.9	-55.5	0	0	0	0	114.5	C754 P776 R1282	C754-C770 WeakPolarHBondContact CA-SG 3.14Å; C754-C770 HydrophobicContact CB-CB 3.84Å; C754-C770 WeakPolarHBondContact CB-SG 3.4Å; C754-C770 WeakPolarHBondContact SG-CB 3.27Å; C754-C770 CovalentContact SG-SG 2.03Å; C754-C770 PolarHBondContact SG-SG 2.81Å; C770-P776 PolarHBondContact N-O 3.35Å; C770-R1282 PolarHBondContact O-NH2 3.08Å
771	N	95.9	Very high	93.8	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	18%	0.182	C	C	.	.	S	Bend	trans	-63.9	-51.9	167.8	-173.4	-43.1	0	0	0	109.3	R764 S769 Y930 D1281 R1282	R764-N771 PolarHBondContact NH1-ND2 2.58Å; S769-N771 PolarHBondContact O-N 3.13Å; N771-Y930 HydrophobicContact CB-CE1 4.32Å; N771-Y930 HydrophobicContact CB-CE2 3.77Å; N771-Y930 WeakPolarHBondContact CB-OH 3.46Å; N771-Y930 WeakPolarHBondContact ND2-CE1 3.13Å; N771-Y930 WeakPolarHBondContact ND2-CE2 3.03Å; N771-D1281 PolarHBondContact ND2-OD1 3.43Å; N771-R1282 WeakPolarHBondContact O-CB 3.27Å; N771-R1282 PolarHBondContact O-NE 3.45Å; N771-R1282 VanDerWaalsContact OD1-CB 3.31Å; N771-R1282 WeakPolarHBondContact OD1-CB 3.32Å; N771-R1282 PolarHBondContact OD1-N 3.27Å
772	N	94.9	Very high	93.8	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	15%	0.153	C	C	.	.	S	Bend	trans	-93.7	115.1	168.4	-170.7	-47.6	0	0	0	110.6	A774 H775 P776 P1089	N772-A774 PolarHBondContact O-N 3.41Å; N772-A774 PolarHBondContact OD1-N 2.92Å; N772-H775 CarbonylContact O-C 3.53Å; N772-H775 PolarHBondContact O-N 2.86Å; N772-H775 PolarHBondContact OD1-N 3.15Å; N772-P776 WeakPolarHBondContact O-CA 3.41Å; N772-P776 VanDerWaalsContact O-N 3.08Å; N772-P1089 PolarHBondContact ND2-O 3.1Å
773	F	93	Very high	93.7	Very high	82 Å²	82	26.2 Å²	26.2	36%	0.36	13%	0.133	S	C	.	.	S	Bend	trans	-70.6	-27	-178.4	-67.2	-57.4	0	0	0	114.2	M757 H760 R1282	M757-F773 HydrophobicContact CE-CE1 4.06Å; M757-F773 HydrophobicContact CE-CE2 4.45Å; M757-F773 HydrophobicContact CE-CZ 3.93Å; M757-F773 HydrophobicContact SD-CE1 4.16Å; H760-F773 HydrophobicContact CB-CE1 4.11Å; H760-F773 HydrophobicContact CB-CZ 4.44Å; F773-R1282 VanDerWaalsContact CZ-CZ 3.47Å
774	A	90.2	Very high	93.5	Very high	73 Å²	73	27.5 Å²	27.5	60%	0.603	14%	0.144	S	C	*	.	S	Bend	trans	-79.2	-31.3	176.5	0	0	0	0	0	111.5	N772	N772-A774 PolarHBondContact O-N 3.41Å; N772-A774 PolarHBondContact OD1-N 2.92Å
775	H	92.5	Very high	93.4	Very high	84 Å²	84	26.1 Å²	26.1	39%	0.389	14%	0.139	S	C	.	.	S	Bend	trans	-130.3	74.5	178	-60.3	-68.3	0	0	0	111.1	N772 L777 W778	N772-H775 CarbonylContact O-C 3.53Å; N772-H775 PolarHBondContact O-N 2.86Å; N772-H775 PolarHBondContact OD1-N 3.15Å; H775-L777 PolarHBondContact O-N 2.9Å; H775-W778 HydrophobicContact CB-CB 4.28Å; H775-W778 HydrophobicContact CB-CD2 3.38Å; H775-W778 HydrophobicContact CB-CE3 3.82Å; H775-W778 HydrophobicContact CB-CG 3.58Å; H775-W778 HydrophobicContact CB-CZ2 4.18Å; H775-W778 HydrophobicContact CB-CZ3 4.38Å; H775-W778 AromaticContact CD2-CE2 3.83Å; H775-W778 AromaticContact CD2-CE3 3.9Å; H775-W778 AromaticContact CD2-CH2 3.33Å; H775-W778 WeakPolarHBondContact CD2-CH2 3.2Å; H775-W778 AromaticContact CD2-CZ2 3.49Å; H775-W778 VanDerWaalsContact CD2-CZ2 3.49Å; H775-W778 WeakPolarHBondContact CD2-CZ2 3.47Å; H775-W778 AromaticContact CD2-CZ3 3.55Å; H775-W778 AromaticContact CG-CD2 3.8Å; H775-W778 AromaticContact CG-CE2 3.55Å; H775-W778 AromaticContact CG-CH2 3.95Å; H775-W778 AromaticContact CG-CZ2 3.64Å; H775-W778 AromaticContact NE2-CH2 3.77Å; H775-W778 AromaticContact NE2-CZ2 3.85Å; H775-W778 PolarHBondContact O-N 2.97Å
776	P	93.3	Very high	93.3	Very high	12 Å²	12	28.6 Å²	28.6	8%	0.078	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.2	-171.3	-30.3	36.9	0	0	0	117	M751 P752 S769 C770 N772	M751-P776 HydrophobicContact CE-CG 4.38Å; P752-P776 HydrophobicContact CG-CB 3.81Å; S769-P776 CarbonylContact C-O 3.45Å; S769-P776 VanDerWaalsContact CA-O 3.25Å; S769-P776 WeakPolarHBondContact CA-O 3.4Å; C770-P776 PolarHBondContact N-O 3.35Å; N772-P776 WeakPolarHBondContact O-CA 3.41Å; N772-P776 VanDerWaalsContact O-N 3.08Å
777	L	92.3	Very high	93.4	Very high	33 Å²	33	27.1 Å²	27.1	17%	0.173	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-11.6	179.9	-66.1	-178.9	0	0	0	114.2	R749 M751 P752 H775 G779 S780 T783	R749-L777 HydrophobicContact CB-CD1 4.27Å; M751-L777 HydrophobicContact SD-CD1 3.52Å; M751-L777 VanDerWaalsContact SD-CD1 3.52Å; M751-L777 HydrophobicContact SD-CG 3.77Å; P752-L777 HydrophobicContact CG-CD2 4.13Å; H775-L777 PolarHBondContact O-N 2.9Å; L777-G779 PolarHBondContact O-N 3.21Å; L777-S780 WeakPolarHBondContact CA-OG 3.34Å; L777-S780 WeakPolarHBondContact O-CB 3.33Å; L777-S780 PolarHBondContact O-N 3.08Å; L777-S780 PolarHBondContact O-OG 2.92Å; L777-T783 HydrophobicContact CB-CG2 4.41Å
778	W	94.6	Very high	93.6	Very high	69 Å²	69	27.9 Å²	27.9	26%	0.261	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	126.2	176.2	-76.2	0.3	0	0	0	109.8	H775 S780 Y930 D1092	H775-W778 HydrophobicContact CB-CB 4.28Å; H775-W778 HydrophobicContact CB-CD2 3.38Å; H775-W778 HydrophobicContact CB-CE3 3.82Å; H775-W778 HydrophobicContact CB-CG 3.58Å; H775-W778 HydrophobicContact CB-CZ2 4.18Å; H775-W778 HydrophobicContact CB-CZ3 4.38Å; H775-W778 AromaticContact CD2-CE2 3.83Å; H775-W778 AromaticContact CD2-CE3 3.9Å; H775-W778 AromaticContact CD2-CH2 3.33Å; H775-W778 WeakPolarHBondContact CD2-CH2 3.2Å; H775-W778 AromaticContact CD2-CZ2 3.49Å; H775-W778 VanDerWaalsContact CD2-CZ2 3.49Å; H775-W778 WeakPolarHBondContact CD2-CZ2 3.47Å; H775-W778 AromaticContact CD2-CZ3 3.55Å; H775-W778 AromaticContact CG-CD2 3.8Å; H775-W778 AromaticContact CG-CE2 3.55Å; H775-W778 AromaticContact CG-CH2 3.95Å; H775-W778 AromaticContact CG-CZ2 3.64Å; H775-W778 AromaticContact NE2-CH2 3.77Å; H775-W778 AromaticContact NE2-CZ2 3.85Å; H775-W778 PolarHBondContact O-N 2.97Å; W778-S780 PolarHBondContact O-N 3.28Å; W778-Y930 PolarHBondContact O-OH 3.27Å; W778-D1092 HydrophobicContact CD2-CB 3.86Å; W778-D1092 HydrophobicContact CE3-CB 3.76Å; W778-D1092 HydrophobicContact CH2-CB 4.12Å; W778-D1092 HydrophobicContact CZ2-CB 4.21Å; W778-D1092 HydrophobicContact CZ3-CB 3.9Å
779	G	94.3	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	0.6	-177	0	0	0	0	0	116.1	L777 S929 S1094	L777-G779 PolarHBondContact O-N 3.21Å; G779-S929 PolarHBondContact O-N 3.29Å; G779-S1094 PolarHBondContact N-OG 2.9Å
780	S	95.1	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.			trans	-75.5	152.3	177.2	67.7	0	0	0	0	112.5	R749 D767 L777 W778 T783	R749-S780 PolarHBondContact NH1-OG 3.49Å; D767-S780 CarbonylContact O-C 3.6Å; D767-S780 WeakPolarHBondContact O-CA 3.24Å; D767-S780 VanDerWaalsContact O-CB 3.29Å; D767-S780 WeakPolarHBondContact O-CB 3.23Å; L777-S780 WeakPolarHBondContact CA-OG 3.34Å; L777-S780 WeakPolarHBondContact O-CB 3.33Å; L777-S780 PolarHBondContact O-N 3.08Å; L777-S780 PolarHBondContact O-OG 2.92Å; W778-S780 PolarHBondContact O-N 3.28Å; S780-T783 WeakPolarHBondContact O-CG2 3.42Å; S780-T783 PolarHBondContact O-OG1 2.81Å; S780-T783 WeakPolarHBondContact OG-CG2 3.44Å
781	S	93.1	Very high	93.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.014	18%	0.183	C	C	.	.	S	Bend	trans	-62.4	160.8	172.5	63.4	0	0	0	0	111.7	R749 D767 T783 V926 L927 S939	R749-S781 PolarHBondContact NH1-O 3.46Å; D767-S781 VanDerWaalsContact CB-OG 3.31Å; D767-S781 WeakPolarHBondContact CB-OG 3.45Å; D767-S781 PolarHBondContact O-N 3.01Å; S781-T783 VanDerWaalsContact C-N 3.28Å; S781-T783 PolarHBondContact O-N 3.09Å; S781-V926 VanDerWaalsContact CB-O 3.23Å; S781-V926 WeakPolarHBondContact CB-O 3.4Å; S781-L927 WeakPolarHBondContact CA-O 3.06Å; S781-S939 PolarHBondContact OG-O 3.47Å
782	L	89	Confident	93.2	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.063	20%	0.202	C	C	.	.	S	Bend	trans	56.5	40.5	-177	-52.8	174.9	0	0	0	112.9	A691 A692 L924 N925 V926	A691-L782 HydrophobicContact CB-CD1 3.67Å; A692-L782 HydrophobicContact CB-CD2 3.78Å; L782-L924 HydrophobicContact CD2-CD2 3.92Å; L782-N925 VanDerWaalsContact CA-O 3.29Å; L782-N925 WeakPolarHBondContact CA-O 3.24Å; L782-N925 PolarHBondContact N-O 3.16Å; L782-V926 HydrophobicContact CD2-CB 4.11Å; L782-V926 HydrophobicContact CD2-CG1 3.85Å
783	T	89.4	Confident	92.8	Very high	18 Å²	18	37.9 Å²	37.9	11%	0.11	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	164.9	172.6	63.4	0	0	0	0	111.4	L777 S780 S781 N925	L777-T783 HydrophobicContact CB-CG2 4.41Å; S780-T783 WeakPolarHBondContact O-CG2 3.42Å; S780-T783 PolarHBondContact O-OG1 2.81Å; S780-T783 WeakPolarHBondContact OG-CG2 3.44Å; S781-T783 VanDerWaalsContact C-N 3.28Å; S781-T783 PolarHBondContact O-N 3.09Å; T783-N925 PolarHBondContact N-O 2.96Å; T783-N925 PolarHBondContact O-N 2.88Å
784	S	91.1	Very high	92.4	Very high	48 Å²	48	35.1 Å²	35.1	34%	0.336	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.2	179.5	55.2	0	0	0	0	112	Q923	S784-Q923 WeakPolarHBondContact CA-O 3.2Å
785	F	94.9	Very high	91.7	Very high	5 Å²	5	34 Å²	34	2%	0.022	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-63.1	142.5	168.3	-67.8	-76.7	0	0	0	111.4	T854 Q923 L924 N925 M1095 N1097 A1100	F785-T854 HydrophobicContact CE2-CG2 4.19Å; F785-T854 WeakPolarHBondContact CE2-OG1 3.49Å; F785-T854 WeakPolarHBondContact CZ-OG1 3.39Å; F785-Q923 HydrophobicContact CD2-CB 4.05Å; F785-Q923 WeakPolarHBondContact CD2-O 3.46Å; F785-Q923 HydrophobicContact CE2-CB 4.28Å; F785-Q923 PolarHBondContact N-O 2.88Å; F785-L924 WeakPolarHBondContact CE2-O 3.27Å; F785-N925 HydrophobicContact CD1-CB 4.16Å; F785-N925 HydrophobicContact CE1-CB 3.63Å; F785-N925 HydrophobicContact CE2-CB 4.13Å; F785-N925 HydrophobicContact CZ-CB 3.61Å; F785-M1095 CarbonylContact C-O 3.42Å; F785-M1095 WeakPolarHBondContact CA-O 3.36Å; F785-M1095 HydrophobicContact CD1-CB 3.81Å; F785-M1095 HydrophobicContact CE1-CB 4.05Å; F785-N1097 HydrophobicContact CB-CB 3.66Å; F785-N1097 HydrophobicContact CG-CB 4.3Å; F785-A1100 HydrophobicContact CD1-CB 4.16Å; F785-A1100 HydrophobicContact CE1-CB 3.63Å; F785-A1100 HydrophobicContact CZ-CB 4.17Å
786	K	94.7	Very high	90.8	Very high	62 Å²	62	31.7 Å²	31.7	27%	0.27	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-66.9	139.6	170.2	-174.6	-179.3	-171.7	66.8	0	110.8	D1092 M1095 A1096 N1097	K786-D1092 WeakPolarHBondContact CD-OD2 3.47Å; K786-D1092 IonicContact NZ-OD2 3.34Å; K786-D1092 PolarHBondContact NZ-OD2 3.42Å; K786-M1095 PolarHBondContact N-O 2.99Å; K786-A1096 CarbonylContact O-C 3.5Å; K786-A1096 VanDerWaalsContact O-CA 3.26Å; K786-A1096 WeakPolarHBondContact O-CA 3.49Å; K786-N1097 PolarHBondContact O-N 3.36Å
787	R	95.1	Very high	90	Very high	46 Å²	46	32.7 Å²	32.7	17%	0.174	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-95.1	122.6	171.1	-69.5	-71.2	-179	-174.8	-6.1	110.5	R921 E922 Q923 N1097 H1199	R787-R921 PolarHBondContact NH2-O 3.35Å; R787-E922 IonicContact CZ-OE1 3.23Å; R787-E922 IonicContact CZ-OE2 3.54Å; R787-E922 IonicContact NE-OE1 3.46Å; R787-E922 PolarHBondContact NE-OE1 3.35Å; R787-E922 IonicContact NE-OE2 3.06Å; R787-E922 PolarHBondContact NE-OE2 3.05Å; R787-E922 IonicContact NH2-OE1 2.79Å; R787-E922 IonicContact NH2-OE2 3.93Å; R787-E922 PolarHBondContact NH2-OE2 3.03Å; R787-Q923 VanDerWaalsContact NH2-OE1 3.12Å; R787-N1097 PolarHBondContact NH1-ND2 3.05Å; R787-N1097 PolarHBondContact NH2-ND2 2.59Å; R787-H1199 PolarHBondContact NH1-O 2.97Å; R787-H1199 PolarHBondContact NH2-O 3.31Å
788	L	96.9	Very high	89.5	Confident	23 Å²	23	32.6 Å²	32.6	12%	0.12	18%	0.177	C	C	.	.	S	Bend	trans	-77	-34	167.5	-61.3	-178.5	0	0	0	111.7	A1096 A1098 Y1207 W1210 I1269 D1272 R1276	L788-A1096 HydrophobicContact CD1-CB 4.08Å; L788-A1096 HydrophobicContact CD2-CB 4.07Å; L788-A1096 HydrophobicContact CG-CB 3.82Å; L788-A1098 HydrophobicContact CD1-CB 4.3Å; L788-Y1207 HydrophobicContact CB-CE1 4.32Å; L788-Y1207 HydrophobicContact CD1-CE1 4.5Å; L788-W1210 HydrophobicContact CB-CZ2 4.39Å; L788-W1210 HydrophobicContact CD1-CH2 3.96Å; L788-W1210 HydrophobicContact CD1-CZ2 4.31Å; L788-W1210 HydrophobicContact CD1-CZ3 4.2Å; L788-W1210 HydrophobicContact CD2-CH2 4.36Å; L788-W1210 HydrophobicContact CD2-CZ2 4.12Å; L788-I1269 HydrophobicContact CD1-CG2 4.06Å; L788-D1272 WeakPolarHBondContact CD2-OD2 3.04Å; L788-R1276 VanDerWaalsContact CD2-NH1 3.32Å
789	L	96.5	Very high	89.2	Confident	31 Å²	31	32 Å²	32	16%	0.162	18%	0.177	C	C	.	.	S	Bend	trans	-133	147.7	174.9	-70	173.8	0	0	0	108.2	P1202 E1206 Y1207 W1210	L789-P1202 HydrophobicContact CB-CG 3.9Å; L789-P1202 HydrophobicContact CD1-CB 4.36Å; L789-P1202 HydrophobicContact CD1-CG 4.37Å; L789-E1206 HydrophobicContact CD1-CB 4.01Å; L789-Y1207 HydrophobicContact CD1-CD1 3.92Å; L789-Y1207 HydrophobicContact CD1-CD2 4.08Å; L789-Y1207 HydrophobicContact CD1-CE1 3.92Å; L789-Y1207 HydrophobicContact CD1-CE2 4.09Å; L789-Y1207 HydrophobicContact CD1-CG 4.01Å; L789-Y1207 HydrophobicContact CG-CE1 4.32Å; L789-W1210 HydrophobicContact CD1-CB 4.19Å; L789-W1210 HydrophobicContact CD2-CB 4.16Å; L789-W1210 HydrophobicContact CD2-CG 4.19Å; L789-W1210 HydrophobicContact CG-CB 4.38Å; L789-W1210 HydrophobicContact CG-CG 4.37Å
790	P	92.1	Very high	89.2	Confident	92 Å²	92	32 Å²	32	60%	0.597	18%	0.177	S	C	*	.			trans	-55.1	139.7	173.6	-24	34	0	0	0	111.5	P1202	P790-P1202 VanDerWaalsContact O-CG 3.24Å; P790-P1202 WeakPolarHBondContact O-CG 3.47Å
791	P	92.9	Very high	89	Confident	12 Å²	12	32.6 Å²	32.6	8%	0.078	18%	0.18	C	C	.	.			trans	-69.2	154.8	177.9	28.7	-34.2	0	0	0	112.4	Y793 H920 A1200	P791-Y793 HydrophobicContact CB-CD2 4.29Å; P791-Y793 HydrophobicContact CB-CE2 4.01Å; P791-Y793 HydrophobicContact CG-CD2 4.49Å; P791-Y793 HydrophobicContact CG-CE2 4.21Å; P791-H920 WeakPolarHBondContact CD-ND1 3.26Å; P791-H920 HydrophobicContact CG-CB 3.5Å; P791-H920 VanDerWaalsContact CG-ND1 3.27Å; P791-H920 WeakPolarHBondContact CG-ND1 3.42Å; P791-A1200 VanDerWaalsContact CA-O 3.26Å; P791-A1200 WeakPolarHBondContact CA-O 3.47Å; P791-A1200 HydrophobicContact CB-CB 3.91Å; P791-A1200 WeakPolarHBondContact CB-O 3.47Å
792	I	90.9	Very high	88.8	Confident	82 Å²	82	33.6 Å²	33.6	42%	0.421	19%	0.191	S	C	.	.			trans	-117	94.9	176.7	-56.3	177.5	0	0	0	109.3	I801 A1200 P1202	I792-I801 HydrophobicContact CB-CD1 4.22Å; I792-I801 HydrophobicContact CG2-CD1 4.05Å; I792-I801 WeakPolarHBondContact O-CD1 3.19Å; I792-I801 WeakPolarHBondContact O-CG1 2.84Å; I792-A1200 PolarHBondContact N-O 2.81Å; I792-A1200 WeakPolarHBondContact O-CB 3.42Å; I792-P1202 HydrophobicContact CD1-CB 4.02Å; I792-P1202 HydrophobicContact CD1-CG 4.23Å; I792-P1202 HydrophobicContact CG1-CG 4.23Å
793	Y	87.1	Confident	88.9	Confident	10 Å²	10	34.7 Å²	34.7	4%	0.039	19%	0.194	C	C	.	.			trans	-90.4	147.5	169.9	-72.2	-73.1	0	0	0	110.4	P791 N795 G796 F797 D798 Q799 H920 R921 Q923 A1200	P791-Y793 HydrophobicContact CB-CD2 4.29Å; P791-Y793 HydrophobicContact CB-CE2 4.01Å; P791-Y793 HydrophobicContact CG-CD2 4.49Å; P791-Y793 HydrophobicContact CG-CE2 4.21Å; Y793-N795 VanDerWaalsContact C-N 3.27Å; Y793-N795 PolarHBondContact O-N 2.85Å; Y793-G796 PolarHBondContact O-N 3.34Å; Y793-F797 VanDerWaalsContact CD2-C 3.44Å; Y793-F797 WeakPolarHBondContact CD2-O 3.36Å; Y793-F797 WeakPolarHBondContact CE2-O 3.24Å; Y793-D798 WeakPolarHBondContact CD1-O 3.42Å; Y793-D798 WeakPolarHBondContact CE1-O 3.45Å; Y793-Q799 CarbonylContact C-O 3.55Å; Y793-Q799 WeakPolarHBondContact CA-O 3.38Å; Y793-Q799 WeakPolarHBondContact CB-O 2.94Å; Y793-Q799 WeakPolarHBondContact CD1-O 3.25Å; Y793-H920 HydrophobicContact CD2-CB 4.35Å; Y793-H920 HydrophobicContact CE2-CB 4.2Å; Y793-R921 HydrophobicContact CE1-CB 4.37Å; Y793-R921 HydrophobicContact CE2-CB 3.87Å; Y793-R921 WeakPolarHBondContact CE2-O 3.15Å; Y793-R921 WeakPolarHBondContact OH-CB 3.35Å; Y793-R921 PolarHBondContact OH-O 3.49Å; Y793-Q923 PolarHBondContact OH-NE2 3.23Å; Y793-Q923 VanDerWaalsContact OH-NE2 3.07Å; Y793-A1200 HydrophobicContact CD1-CB 3.45Å; Y793-A1200 VanDerWaalsContact CD1-CB 3.45Å; Y793-A1200 HydrophobicContact CD2-CB 3.8Å; Y793-A1200 HydrophobicContact CE1-CB 3.31Å; Y793-A1200 HydrophobicContact CE2-CB 3.67Å; Y793-A1200 HydrophobicContact CG-CB 3.7Å; Y793-A1200 VanDerWaalsContact CZ-CB 3.41Å
794	E	84.9	Confident	88.8	Confident	24 Å²	24	40 Å²	40	11%	0.112	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-31	-175.4	-162	-176.7	113.2	0	0	113.7	Q799 G802 W803 R804 L807 Y809	E794-Q799 HydrophobicContact CB-CB 4.3Å; E794-Q799 WeakPolarHBondContact CB-O 3.28Å; E794-Q799 PolarHBondContact N-O 2.86Å; E794-G802 PolarHBondContact OE2-N 2.86Å; E794-W803 PolarHBondContact OE2-N 3.1Å; E794-R804 WeakPolarHBondContact OE1-CB 3.5Å; E794-R804 WeakPolarHBondContact OE1-CD 3.3Å; E794-R804 WeakPolarHBondContact OE1-CG 3.35Å; E794-R804 IonicContact OE1-CZ 2.68Å; E794-R804 PolarHBondContact OE1-N 3.14Å; E794-R804 IonicContact OE1-NE 2.82Å; E794-R804 PolarHBondContact OE1-NE 3.4Å; E794-R804 IonicContact OE1-NH2 3.81Å; E794-R804 PolarHBondContact OE1-NH2 3.04Å; E794-R804 PolarHBondContact OE2-N 3.03Å; E794-L807 HydrophobicContact CG-CD2 3.24Å; E794-L807 WeakPolarHBondContact OE1-CD2 2.96Å; E794-Y809 PolarHBondContact OE2-OH 3.12Å
795	N	76.1	Confident	88.4	Confident	50 Å²	50	43.8 Å²	43.8	27%	0.267	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	8.6	172.5	67.9	-11.6	0	0	0	112.9	Y793 F797 D798 Q799	Y793-N795 VanDerWaalsContact C-N 3.27Å; Y793-N795 PolarHBondContact O-N 2.85Å; N795-F797 HydrophobicContact CB-CD1 4.44Å; N795-F797 HydrophobicContact CB-CE1 4.21Å; N795-F797 WeakPolarHBondContact ND2-CE1 3.3Å; N795-F797 VanDerWaalsContact ND2-CZ 3.26Å; N795-F797 WeakPolarHBondContact ND2-CZ 3.1Å; N795-F797 WeakPolarHBondContact O-CD1 3.35Å; N795-F797 PolarHBondContact OD1-N 2.96Å; N795-D798 PolarHBondContact ND2-OD1 2.86Å; N795-D798 PolarHBondContact OD1-N 3.38Å; N795-D798 VanDerWaalsContact OD1-N 3.1Å; N795-D798 PolarHBondContact OD1-OD1 2.8Å; N795-Q799 HydrophobicContact CB-CB 4.28Å; N795-Q799 HydrophobicContact CB-CG 4.5Å; N795-Q799 WeakPolarHBondContact ND2-CG 3.42Å; N795-Q799 PolarHBondContact OD1-N 3.3Å
796	G	72.9	Confident	87.8	Confident	35 Å²	35	46.5 Å²	46.5	36%	0.361	25%	0.253	S	S	.	.	S	Bend	trans	87.8	-10.1	178.8	0	0	0	0	0	116.1	Y793 H920	Y793-G796 PolarHBondContact O-N 3.34Å; G796-H920 PolarHBondContact O-CD2 3.39Å; G796-H920 PolarHBondContact O-NE2 2.95Å
797	F	75.3	Confident	87.6	Confident	32 Å²	32	46.4 Å²	46.4	14%	0.14	25%	0.254	C	S	.	.	S	Bend	trans	-140.5	-34.4	-176.2	69.3	-85.5	0	0	0	117	Y793 N795 T911 V918 H920 R921	Y793-F797 VanDerWaalsContact CD2-C 3.44Å; Y793-F797 WeakPolarHBondContact CD2-O 3.36Å; Y793-F797 WeakPolarHBondContact CE2-O 3.24Å; N795-F797 HydrophobicContact CB-CD1 4.44Å; N795-F797 HydrophobicContact CB-CE1 4.21Å; N795-F797 WeakPolarHBondContact ND2-CE1 3.3Å; N795-F797 VanDerWaalsContact ND2-CZ 3.26Å; N795-F797 WeakPolarHBondContact ND2-CZ 3.1Å; N795-F797 WeakPolarHBondContact O-CD1 3.35Å; N795-F797 PolarHBondContact OD1-N 2.96Å; F797-T911 HydrophobicContact CB-CG2 3.97Å; F797-T911 HydrophobicContact CD1-CG2 3.3Å; F797-T911 HydrophobicContact CD2-CG2 3.99Å; F797-T911 HydrophobicContact CE1-CG2 3.65Å; F797-T911 HydrophobicContact CE2-CG2 4.3Å; F797-T911 HydrophobicContact CG-CG2 3.49Å; F797-T911 VanDerWaalsContact CG-CG2 3.49Å; F797-T911 HydrophobicContact CZ-CG2 4.15Å; F797-V918 HydrophobicContact CB-CG1 3.58Å; F797-H920 CarbonylContact O-C 3.59Å; F797-H920 WeakPolarHBondContact O-CA 3.41Å; F797-R921 PolarHBondContact O-N 2.83Å
798	D	83.3	Confident	87.5	Confident	31 Å²	31	49.1 Å²	49.1	17%	0.166	27%	0.272	C	S	.	.	S	Bend	trans	-148	-22.3	-176	80.7	-34.7	0	0	0	116.9	Y793 N795 R901 R921	Y793-D798 WeakPolarHBondContact CD1-O 3.42Å; Y793-D798 WeakPolarHBondContact CE1-O 3.45Å; N795-D798 PolarHBondContact ND2-OD1 2.86Å; N795-D798 PolarHBondContact OD1-N 3.38Å; N795-D798 VanDerWaalsContact OD1-N 3.1Å; N795-D798 PolarHBondContact OD1-OD1 2.8Å; D798-R901 PolarHBondContact O-NH1 2.95Å; D798-R901 VanDerWaalsContact O-NH1 3.14Å; D798-R901 PolarHBondContact O-NH2 3.44Å; D798-R921 HydrophobicContact CB-CB 4.06Å
799	Q	88.4	Confident	87.3	Confident	57 Å²	57	49.6 Å²	49.6	27%	0.266	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-80	118.9	-178.1	-76.2	176.2	7.6	0	0	110.1	Y793 E794 N795 W803	Y793-Q799 CarbonylContact C-O 3.55Å; Y793-Q799 WeakPolarHBondContact CA-O 3.38Å; Y793-Q799 WeakPolarHBondContact CB-O 2.94Å; Y793-Q799 WeakPolarHBondContact CD1-O 3.25Å; E794-Q799 HydrophobicContact CB-CB 4.3Å; E794-Q799 WeakPolarHBondContact CB-O 3.28Å; E794-Q799 PolarHBondContact N-O 2.86Å; N795-Q799 HydrophobicContact CB-CB 4.28Å; N795-Q799 HydrophobicContact CB-CG 4.5Å; N795-Q799 WeakPolarHBondContact ND2-CG 3.42Å; N795-Q799 PolarHBondContact OD1-N 3.3Å; Q799-W803 HydrophobicContact CB-CB 4.32Å; Q799-W803 HydrophobicContact CB-CG 4.27Å; Q799-W803 HydrophobicContact CG-CG 4.33Å
800	P	92.7	Very high	87.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-68	158.5	-174.9	29.9	-35	0	0	0	111.7	G802 W803 F880 R1197	P800-G802 PolarHBondContact O-N 3.12Å; P800-W803 HydrophobicContact CG-CB 4.37Å; P800-W803 HydrophobicContact CG-CD2 4.48Å; P800-W803 HydrophobicContact CG-CE3 3.68Å; P800-W803 HydrophobicContact CG-CZ3 4.39Å; P800-W803 WeakPolarHBondContact O-CB 3.45Å; P800-W803 PolarHBondContact O-N 3.28Å; P800-W803 VanDerWaalsContact O-N 3.12Å; P800-F880 HydrophobicContact CB-CD1 4.42Å; P800-F880 HydrophobicContact CB-CE1 3.78Å; P800-F880 HydrophobicContact CB-CZ 4.1Å; P800-F880 HydrophobicContact CG-CD1 3.82Å; P800-F880 HydrophobicContact CG-CD2 4.42Å; P800-F880 HydrophobicContact CG-CE1 3.51Å; P800-F880 HydrophobicContact CG-CE2 4.16Å; P800-F880 HydrophobicContact CG-CG 4.28Å; P800-F880 HydrophobicContact CG-CZ 3.7Å; P800-R1197 WeakPolarHBondContact CB-O 3.02Å
801	I	91.1	Very high	87.2	Confident	12 Å²	12	50.8 Å²	50.8	6%	0.062	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	126.8	176.2	-72.9	171.4	0	0	0	110	I792 Y809 K814	I792-I801 HydrophobicContact CB-CD1 4.22Å; I792-I801 HydrophobicContact CG2-CD1 4.05Å; I792-I801 WeakPolarHBondContact O-CD1 3.19Å; I792-I801 WeakPolarHBondContact O-CG1 2.84Å; I801-Y809 HydrophobicContact CB-CE1 4.42Å; I801-Y809 HydrophobicContact CG1-CE1 4.15Å; I801-Y809 HydrophobicContact CG2-CD1 4.43Å; I801-Y809 HydrophobicContact CG2-CE1 3.84Å; I801-Y809 HydrophobicContact CG2-CE2 4.24Å; I801-K814 HydrophobicContact CG2-CD 4.07Å; I801-K814 HydrophobicContact CG2-CG 3.75Å
802	G	89.4	Confident	87.3	Confident	24 Å²	24	54.6 Å²	54.6	25%	0.247	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	11.4	-176.1	0	0	0	0	0	113.4	E794 P800 Y809	E794-G802 PolarHBondContact OE2-N 2.86Å; P800-G802 PolarHBondContact O-N 3.12Å; G802-Y809 PolarHBondContact N-OH 3.21Å
803	W	90.4	Very high	87.4	Confident	35 Å²	35	54 Å²	54	13%	0.133	30%	0.303	C	S	.	.			trans	-68.5	-47.9	176.4	-174.6	-94.8	0	0	0	111.6	E794 Q799 P800 N875 F880	E794-W803 PolarHBondContact OE2-N 3.1Å; Q799-W803 HydrophobicContact CB-CB 4.32Å; Q799-W803 HydrophobicContact CB-CG 4.27Å; Q799-W803 HydrophobicContact CG-CG 4.33Å; P800-W803 HydrophobicContact CG-CB 4.37Å; P800-W803 HydrophobicContact CG-CD2 4.48Å; P800-W803 HydrophobicContact CG-CE3 3.68Å; P800-W803 HydrophobicContact CG-CZ3 4.39Å; P800-W803 WeakPolarHBondContact O-CB 3.45Å; P800-W803 PolarHBondContact O-N 3.28Å; P800-W803 VanDerWaalsContact O-N 3.12Å; W803-N875 HydrophobicContact CD2-CB 3.7Å; W803-N875 HydrophobicContact CE3-CB 3.73Å; W803-N875 HydrophobicContact CG-CB 4.41Å; W803-N875 VanDerWaalsContact CH2-C 3.49Å; W803-N875 HydrophobicContact CH2-CB 3.83Å; W803-N875 HydrophobicContact CZ2-CB 3.79Å; W803-N875 VanDerWaalsContact CZ2-O 3.22Å; W803-N875 WeakPolarHBondContact CZ2-O 3.36Å; W803-N875 HydrophobicContact CZ3-CB 3.8Å; W803-N875 PolarHBondContact O-ND2 3.38Å; W803-F880 AromaticContact CE3-CD2 3.65Å; W803-F880 HydrophobicContact CE3-CD2 3.65Å; W803-F880 HydrophobicContact CE3-CE2 4Å; W803-F880 HydrophobicContact CE3-CG 4.16Å; W803-F880 HydrophobicContact CZ3-CB 4.08Å; W803-F880 AromaticContact CZ3-CD2 3.94Å; W803-F880 HydrophobicContact CZ3-CD2 3.94Å; W803-F880 HydrophobicContact CZ3-CG 4.14Å
804	R	88.4	Confident	87.7	Confident	128 Å²	128	55 Å²	55	48%	0.483	31%	0.308	S	S	.	.	S	Bend	trans	-87.7	122.9	171.7	-64.7	179.1	-69.8	-174.8	-5.3	110.3	E794 G806 L807	E794-R804 WeakPolarHBondContact OE1-CB 3.5Å; E794-R804 WeakPolarHBondContact OE1-CD 3.3Å; E794-R804 WeakPolarHBondContact OE1-CG 3.35Å; E794-R804 IonicContact OE1-CZ 2.68Å; E794-R804 PolarHBondContact OE1-N 3.14Å; E794-R804 IonicContact OE1-NE 2.82Å; E794-R804 PolarHBondContact OE1-NE 3.4Å; E794-R804 IonicContact OE1-NH2 3.81Å; E794-R804 PolarHBondContact OE1-NH2 3.04Å; E794-R804 PolarHBondContact OE2-N 3.03Å; R804-G806 PolarHBondContact O-N 2.03Å; R804-L807 PolarHBondContact O-N 3.38Å
805	K	82.9	Confident	88.2	Confident	128 Å²	128	54.6 Å²	54.6	56%	0.557	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	131.2	178.1	-62.1	-177.4	-174.1	173.7	0	110.3	C873 E883	K805-C873 PolarHBondContact NZ-O 3.02Å; K805-C873 VanDerWaalsContact NZ-O 3.13Å; K805-E883 WeakPolarHBondContact CE-OE1 3.45Å; K805-E883 IonicContact NZ-OE1 3.11Å; K805-E883 PolarHBondContact NZ-OE1 2.97Å
806	G	82.7	Confident	89	Confident	63 Å²	63	54.1 Å²	54.1	65%	0.649	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	1.4	176.5	0	0	0	0	0	115.8	R804	R804-G806 PolarHBondContact O-N 2.03Å
807	L	88.9	Confident	90.1	Very high	59 Å²	59	52.7 Å²	52.7	31%	0.309	29%	0.289	S	S	.	.			trans	-64.3	137.8	172.7	-169.3	69.6	0	0	0	110.5	E794 R804 Y809	E794-L807 HydrophobicContact CG-CD2 3.24Å; E794-L807 WeakPolarHBondContact OE1-CD2 2.96Å; R804-L807 PolarHBondContact O-N 3.38Å; L807-Y809 HydrophobicContact CB-CE2 4.37Å; L807-Y809 HydrophobicContact CD2-CE1 4.33Å; L807-Y809 WeakPolarHBondContact O-CE2 3.46Å
808	L	93.5	Very high	91	Very high	103 Å²	103	51.2 Å²	51.2	54%	0.539	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136	-178.1	-54.6	-179.7	0	0	0	110.8	F812 P813	L808-F812 WeakPolarHBondContact CA-O 3.5Å; L808-P813 HydrophobicContact CD2-CB 4.27Å; L808-P813 HydrophobicContact CD2-CG 4.47Å
809	Y	91.9	Very high	91.5	Very high	34 Å²	34	51.5 Å²	51.5	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.9	173.5	-54.5	-93.4	0	0	0	106.6	E794 I801 G802 L807 G811 F812 K814 N1244	E794-Y809 PolarHBondContact OE2-OH 3.12Å; I801-Y809 HydrophobicContact CB-CE1 4.42Å; I801-Y809 HydrophobicContact CG1-CE1 4.15Å; I801-Y809 HydrophobicContact CG2-CD1 4.43Å; I801-Y809 HydrophobicContact CG2-CE1 3.84Å; I801-Y809 HydrophobicContact CG2-CE2 4.24Å; G802-Y809 PolarHBondContact N-OH 3.21Å; L807-Y809 HydrophobicContact CB-CE2 4.37Å; L807-Y809 HydrophobicContact CD2-CE1 4.33Å; L807-Y809 WeakPolarHBondContact O-CE2 3.46Å; Y809-G811 PolarHBondContact O-N 3.4Å; Y809-F812 PolarHBondContact N-O 2.72Å; Y809-F812 PolarHBondContact O-N 3.21Å; Y809-K814 HydrophobicContact CD2-CB 4.26Å; Y809-K814 HydrophobicContact CD2-CG 3.45Å; Y809-K814 VanDerWaalsContact CD2-CG 3.45Å; Y809-K814 HydrophobicContact CE2-CB 4.19Å; Y809-K814 HydrophobicContact CE2-CG 3.59Å; Y809-K814 HydrophobicContact CG-CG 4.13Å; Y809-N1244 VanDerWaalsContact CB-OD1 3.3Å; Y809-N1244 WeakPolarHBondContact CB-OD1 3.23Å; Y809-N1244 PolarHBondContact O-ND2 3.3Å; Y809-N1244 PolarHBondContact O-OD1 3.11Å
810	N	93.9	Very high	91.9	Very high	94 Å²	94	48.8 Å²	48.8	50%	0.503	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	37.7	-173.9	-56.9	-67.2	0	0	0	113.2	F812 H1241 N1244	N810-F812 VanDerWaalsContact O-CD2 3.23Å; N810-F812 WeakPolarHBondContact O-CD2 3.34Å; N810-H1241 HydrophobicContact CB-CB 3.92Å; N810-N1244 PolarHBondContact ND2-OD1 3.13Å
811	G	93.7	Very high	92.1	Very high	54 Å²	54	48.8 Å²	48.8	56%	0.557	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-3.7	-179.8	0	0	0	0	0	116.5	Y809	Y809-G811 PolarHBondContact O-N 3.4Å
812	F	94.8	Very high	92.2	Very high	91 Å²	91	50.8 Å²	50.8	40%	0.399	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147	-175.6	-60.1	-88.5	0	0	0	112.8	L808 Y809 N810 G1240 H1241	L808-F812 WeakPolarHBondContact CA-O 3.5Å; Y809-F812 PolarHBondContact N-O 2.72Å; Y809-F812 PolarHBondContact O-N 3.21Å; N810-F812 VanDerWaalsContact O-CD2 3.23Å; N810-F812 WeakPolarHBondContact O-CD2 3.34Å; F812-G1240 WeakPolarHBondContact CE2-O 3.48Å; F812-H1241 HydrophobicContact CD2-CB 4Å; F812-H1241 HydrophobicContact CE2-CB 4.24Å
813	P	92.5	Very high	92.5	Very high	69 Å²	69	52.8 Å²	52.8	45%	0.448	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	148.4	173.4	30.4	-34.2	0	0	0	110.6	L808	L808-P813 HydrophobicContact CD2-CB 4.27Å; L808-P813 HydrophobicContact CD2-CG 4.47Å
814	K	93.6	Very high	92.8	Very high	33 Å²	33	51.5 Å²	51.5	14%	0.143	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-65.3	134	169.5	-81.6	-81.6	-175.5	159.4	0	109.8	I801 Y809 N1244 D1246	I801-K814 HydrophobicContact CG2-CD 4.07Å; I801-K814 HydrophobicContact CG2-CG 3.75Å; Y809-K814 HydrophobicContact CD2-CB 4.26Å; Y809-K814 HydrophobicContact CD2-CG 3.45Å; Y809-K814 VanDerWaalsContact CD2-CG 3.45Å; Y809-K814 HydrophobicContact CE2-CB 4.19Å; Y809-K814 HydrophobicContact CE2-CG 3.59Å; Y809-K814 HydrophobicContact CG-CG 4.13Å; K814-N1244 WeakPolarHBondContact CE-O 3.24Å; K814-N1244 PolarHBondContact NZ-O 3.49Å; K814-D1246 IonicContact NZ-OD1 3.04Å; K814-D1246 PolarHBondContact NZ-OD1 3.33Å
815	P	95.2	Very high	93.1	Very high	14 Å²	14	45.4 Å²	45.4	9%	0.091	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-68.8	153.9	179.6	25.6	-32.4	0	0	0	111.6	P817 V820 R1197 L1238 Y1239	P815-P817 WeakPolarHBondContact O-CD 3.5Å; P815-V820 HydrophobicContact CB-CG2 3.7Å; P815-V820 HydrophobicContact CG-CG2 3.6Å; P815-R1197 PolarHBondContact O-NH1 2.91Å; P815-R1197 PolarHBondContact O-NH2 3.32Å; P815-L1238 HydrophobicContact CB-CB 4.38Å; P815-L1238 HydrophobicContact CB-CD2 4.32Å; P815-L1238 VanDerWaalsContact CB-O 3.31Å; P815-L1238 WeakPolarHBondContact CB-O 3.16Å; P815-L1238 HydrophobicContact CG-CB 4.45Å; P815-L1238 WeakPolarHBondContact CG-O 3.46Å; P815-Y1239 HydrophobicContact CG-CD1 3.62Å; P815-Y1239 HydrophobicContact CG-CD2 4.24Å; P815-Y1239 HydrophobicContact CG-CE1 3.44Å; P815-Y1239 VanDerWaalsContact CG-CE1 3.44Å; P815-Y1239 HydrophobicContact CG-CE2 4.07Å; P815-Y1239 HydrophobicContact CG-CG 4.04Å
816	N	94	Very high	93.7	Very high	40 Å²	40	40.9 Å²	40.9	21%	0.214	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-62.1	123.3	170.3	-177.1	-50.6	0	0	0	109.7	R818 V819 V820 E883	N816-R818 PolarHBondContact O-N 3.15Å; N816-R818 VanDerWaalsContact O-N 3.15Å; N816-R818 WeakPolarHBondContact OD1-CB 3.48Å; N816-R818 PolarHBondContact OD1-N 2.84Å; N816-V819 HydrophobicContact CB-CB 4.32Å; N816-V819 HydrophobicContact CB-CG2 3.88Å; N816-V819 PolarHBondContact O-N 3.02Å; N816-V820 PolarHBondContact O-N 2.91Å; N816-V820 VanDerWaalsContact O-N 3.13Å; N816-E883 PolarHBondContact ND2-O 2.93Å
817	P	95.5	Very high	94.3	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-53	-35.2	-178.5	-28.3	35.1	0	0	0	114.7	P815 V820 S821 I882 T1190 I1193	P815-P817 WeakPolarHBondContact O-CD 3.5Å; P817-V820 WeakPolarHBondContact O-CB 3.02Å; P817-V820 PolarHBondContact O-N 3.48Å; P817-S821 PolarHBondContact O-N 3.27Å; P817-I882 HydrophobicContact CB-CG2 4.4Å; P817-I882 HydrophobicContact CG-CG1 4.49Å; P817-I882 HydrophobicContact CG-CG2 4.4Å; P817-T1190 HydrophobicContact CB-CG2 3.82Å; P817-I1193 HydrophobicContact CB-CB 4.03Å; P817-I1193 HydrophobicContact CB-CD1 4.49Å; P817-I1193 HydrophobicContact CB-CG2 3.84Å; P817-I1193 HydrophobicContact CG-CG2 4Å
818	R	93.7	Very high	94.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-38.8	178.9	179.2	57.5	176	158.9	5.8	112.4	N816 V820 S821 Q822 I882 P885 D888 T1174 E1175 D1187 T1190	N816-R818 PolarHBondContact O-N 3.15Å; N816-R818 VanDerWaalsContact O-N 3.15Å; N816-R818 WeakPolarHBondContact OD1-CB 3.48Å; N816-R818 PolarHBondContact OD1-N 2.84Å; R818-V820 VanDerWaalsContact C-N 3.34Å; R818-S821 WeakPolarHBondContact O-CB 3.43Å; R818-S821 PolarHBondContact O-N 2.93Å; R818-Q822 VanDerWaalsContact CZ-NE2 3.28Å; R818-Q822 WeakPolarHBondContact O-CG 3.32Å; R818-Q822 PolarHBondContact O-N 3.43Å; R818-I882 HydrophobicContact CB-CG2 4.34Å; R818-P885 HydrophobicContact CG-CG 4.18Å; R818-D888 WeakPolarHBondContact CG-OD2 3.24Å; R818-D888 IonicContact CZ-OD2 3.86Å; R818-D888 IonicContact NE-OD2 3.98Å; R818-D888 PolarHBondContact NE-OD2 3.46Å; R818-D888 IonicContact NH2-OD1 3.34Å; R818-D888 PolarHBondContact NH2-OD1 3.14Å; R818-D888 IonicContact NH2-OD2 3.48Å; R818-D888 PolarHBondContact NH2-OD2 2.99Å; R818-T1174 PolarHBondContact NH1-O 3.44Å; R818-E1175 IonicContact CZ-OE1 3.64Å; R818-E1175 IonicContact CZ-OE2 2.74Å; R818-E1175 IonicContact NH1-OE1 3.22Å; R818-E1175 PolarHBondContact NH1-OE1 3.22Å; R818-E1175 IonicContact NH1-OE2 2.69Å; R818-E1175 PolarHBondContact NH1-OE2 2.91Å; R818-E1175 VanDerWaalsContact NH2-CD 3.33Å; R818-E1175 IonicContact NH2-OE1 3.32Å; R818-E1175 PolarHBondContact NH2-OE1 3.29Å; R818-E1175 VanDerWaalsContact NH2-OE1 3.15Å; R818-E1175 IonicContact NH2-OE2 3.5Å; R818-E1175 PolarHBondContact NH2-OE2 2.95Å; R818-D1187 WeakPolarHBondContact CD-OD2 2.99Å; R818-D1187 IonicContact CZ-OD2 3.81Å; R818-D1187 IonicContact NE-OD2 3.14Å; R818-D1187 IonicContact NH1-OD2 2.64Å; R818-D1187 PolarHBondContact NH1-OD2 3.23Å; R818-T1190 VanDerWaalsContact CA-OG1 3.31Å; R818-T1190 WeakPolarHBondContact CA-OG1 3.28Å; R818-T1190 HydrophobicContact CB-CG2 4.25Å
819	V	95.2	Very high	94.6	Very high	38 Å²	38	43.2 Å²	43.2	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-39.2	175.7	-176.6	0	0	0	0	110.3	N816 Q822 M823 P885 L1238	N816-V819 HydrophobicContact CB-CB 4.32Å; N816-V819 HydrophobicContact CB-CG2 3.88Å; N816-V819 PolarHBondContact O-N 3.02Å; V819-Q822 PolarHBondContact O-N 3.19Å; V819-M823 HydrophobicContact CG1-CG 4.25Å; V819-M823 HydrophobicContact CG1-SD 3.74Å; V819-M823 WeakPolarHBondContact O-CB 3.2Å; V819-M823 WeakPolarHBondContact O-CG 3.43Å; V819-M823 PolarHBondContact O-N 2.71Å; V819-P885 HydrophobicContact CG2-CB 3.76Å; V819-P885 HydrophobicContact CG2-CG 3.84Å; V819-L1238 HydrophobicContact CG1-CD2 3.87Å
820	V	97	Very high	94.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-47.4	173.9	178.6	0	0	0	0	110.7	P815 N816 P817 R818 Q822 M823 L824 I1193 L1238 Y1239 V1249	P815-V820 HydrophobicContact CB-CG2 3.7Å; P815-V820 HydrophobicContact CG-CG2 3.6Å; N816-V820 PolarHBondContact O-N 2.91Å; N816-V820 VanDerWaalsContact O-N 3.13Å; P817-V820 WeakPolarHBondContact O-CB 3.02Å; P817-V820 PolarHBondContact O-N 3.48Å; R818-V820 VanDerWaalsContact C-N 3.34Å; V820-Q822 PolarHBondContact O-N 3.17Å; V820-M823 PolarHBondContact O-N 3.31Å; V820-L824 HydrophobicContact CG1-CD1 4.13Å; V820-L824 WeakPolarHBondContact O-CB 3.46Å; V820-L824 PolarHBondContact O-N 3.3Å; V820-I1193 HydrophobicContact CB-CD1 3.84Å; V820-I1193 HydrophobicContact CG1-CD1 3.58Å; V820-L1238 HydrophobicContact CG2-CD1 4.44Å; V820-L1238 HydrophobicContact CG2-CD2 4.42Å; V820-Y1239 HydrophobicContact CG1-CE2 4.38Å; V820-Y1239 HydrophobicContact CG2-CE2 4.34Å; V820-V1249 HydrophobicContact CG1-CG1 4.25Å; V820-V1249 HydrophobicContact CG1-CG2 3.91Å
821	S	95.9	Very high	94.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-55.3	-52	176.2	176	0	0	0	0	111.8	P817 R818 M823 I825 S826 D1187 A1189 T1190	P817-S821 PolarHBondContact O-N 3.27Å; R818-S821 WeakPolarHBondContact O-CB 3.43Å; R818-S821 PolarHBondContact O-N 2.93Å; S821-M823 PolarHBondContact O-N 2.8Å; S821-I825 PolarHBondContact O-N 3.17Å; S821-S826 WeakPolarHBondContact O-CB 3.4Å; S821-S826 PolarHBondContact O-N 2.84Å; S821-D1187 WeakPolarHBondContact CB-OD2 3.49Å; S821-D1187 PolarHBondContact OG-OD1 2.8Å; S821-D1187 PolarHBondContact OG-OD2 3.44Å; S821-A1189 WeakPolarHBondContact OG-CB 3.29Å; S821-T1190 WeakPolarHBondContact CB-OG1 3.34Å
822	Q	93.4	Very high	95.1	Very high	53 Å²	53	42.7 Å²	42.7	25%	0.248	23%	0.231	C	C	.	.	I	π-helix	trans	-63.8	-39.5	-178.5	-72.9	172.6	-19.9	0	0	113.6	R818 V819 V820 D888 H889	R818-Q822 VanDerWaalsContact CZ-NE2 3.28Å; R818-Q822 WeakPolarHBondContact O-CG 3.32Å; R818-Q822 PolarHBondContact O-N 3.43Å; V819-Q822 PolarHBondContact O-N 3.19Å; V820-Q822 PolarHBondContact O-N 3.17Å; Q822-D888 PolarHBondContact NE2-OD2 3.27Å; Q822-H889 PolarHBondContact NE2-ND1 3.14Å
823	M	95	Very high	95.2	Very high	67 Å²	67	38.4 Å²	38.4	33%	0.33	21%	0.212	S	C	.	.	I	π-helix	trans	-83.4	-31.8	-174.2	-73.6	-175.2	64.9	0	0	113.9	V819 V820 S821 K1234 V1237 L1238	V819-M823 HydrophobicContact CG1-CG 4.25Å; V819-M823 HydrophobicContact CG1-SD 3.74Å; V819-M823 WeakPolarHBondContact O-CB 3.2Å; V819-M823 WeakPolarHBondContact O-CG 3.43Å; V819-M823 PolarHBondContact O-N 2.71Å; V820-M823 PolarHBondContact O-N 3.31Å; S821-M823 PolarHBondContact O-N 2.8Å; M823-K1234 HydrophobicContact CE-CG 4.42Å; M823-V1237 HydrophobicContact CE-CG1 4.45Å; M823-L1238 HydrophobicContact CB-CD1 4.01Å; M823-L1238 HydrophobicContact CE-CD1 4.41Å; M823-L1238 HydrophobicContact CE-CD2 4.36Å; M823-L1238 HydrophobicContact CE-CG 4.21Å; M823-L1238 HydrophobicContact SD-CD1 4.24Å; M823-L1238 HydrophobicContact SD-CD2 3.56Å; M823-L1238 VanDerWaalsContact SD-CD2 3.56Å; M823-L1238 HydrophobicContact SD-CG 4.02Å
824	L	96.5	Very high	95.3	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.037	23%	0.227	C	C	.	.	I	π-helix	trans	-117	-31.6	-170.2	-71	172	0	0	0	114.6	V820 Y1168 L1231 K1234 L1235 L1238 V1249 L1253	V820-L824 HydrophobicContact CG1-CD1 4.13Å; V820-L824 WeakPolarHBondContact O-CB 3.46Å; V820-L824 PolarHBondContact O-N 3.3Å; L824-Y1168 WeakPolarHBondContact O-CD2 3.12Å; L824-Y1168 WeakPolarHBondContact O-CE2 3.34Å; L824-L1231 HydrophobicContact CD2-CD2 3.99Å; L824-K1234 HydrophobicContact CD2-CB 3.54Å; L824-K1234 HydrophobicContact CD2-CD 4.13Å; L824-K1234 HydrophobicContact CD2-CG 4.47Å; L824-K1234 HydrophobicContact CG-CB 4.4Å; L824-L1235 HydrophobicContact CD1-CD2 3.73Å; L824-L1235 HydrophobicContact CD1-CG 4.27Å; L824-L1238 HydrophobicContact CD1-CD1 3.4Å; L824-L1238 HydrophobicContact CG-CD1 3.72Å; L824-V1249 HydrophobicContact CD1-CG1 4.21Å; L824-L1253 HydrophobicContact CD1-CD1 4.17Å; L824-L1253 HydrophobicContact CD2-CD1 4.35Å
825	I	96.6	Very high	95.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.243	C	C	.	.	I	π-helix	trans	-114.3	-47.1	-161	-56.3	-61.9	0	0	0	113.5	S821 Y1168 L1169 A1189 W1248 V1252 L1253	S821-I825 PolarHBondContact O-N 3.17Å; I825-Y1168 HydrophobicContact CD1-CD2 4.43Å; I825-L1169 HydrophobicContact CG2-CB 3.94Å; I825-L1169 HydrophobicContact CG2-CD1 3.94Å; I825-L1169 HydrophobicContact CG2-CD2 4.35Å; I825-L1169 HydrophobicContact CG2-CG 4.28Å; I825-L1169 PolarHBondContact O-N 3.22Å; I825-L1169 VanDerWaalsContact O-N 3.08Å; I825-A1189 HydrophobicContact CB-CB 4.23Å; I825-A1189 HydrophobicContact CG2-CB 3.68Å; I825-W1248 HydrophobicContact CD1-CZ3 4.29Å; I825-W1248 HydrophobicContact CG1-CZ3 4.22Å; I825-W1248 HydrophobicContact CG2-CH2 3.96Å; I825-W1248 HydrophobicContact CG2-CZ3 4.28Å; I825-V1252 HydrophobicContact CD1-CG1 4.24Å; I825-L1253 HydrophobicContact CD1-CD2 4.17Å
826	S	94.8	Very high	95.6	Very high	33 Å²	33	48.7 Å²	48.7	23%	0.231	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.4	-174.8	-172.3	0	0	0	0	111.6	S821 T1174	S821-S826 WeakPolarHBondContact O-CB 3.4Å; S821-S826 PolarHBondContact O-N 2.84Å; S826-T1174 WeakPolarHBondContact OG-CB 3.4Å; S826-T1174 PolarHBondContact OG-OG1 2.96Å
827	T	94.7	Very high	95.8	Very high	18 Å²	18	46.8 Å²	46.8	11%	0.11	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.9	176.5	-170	0	0	0	0	112.4	K829 F1166 E1167 L1169 N1170 A1171	T827-K829 VanDerWaalsContact CG2-O 3.25Å; T827-K829 WeakPolarHBondContact CG2-O 3.41Å; T827-K829 PolarHBondContact OG1-N 3.28Å; T827-K829 VanDerWaalsContact OG1-N 3.1Å; T827-K829 PolarHBondContact OG1-O 2.9Å; T827-F1166 PolarHBondContact OG1-O 3.34Å; T827-E1167 HydrophobicContact CG2-CB 4.21Å; T827-L1169 WeakPolarHBondContact CG2-O 3.34Å; T827-L1169 PolarHBondContact N-O 3.49Å; T827-N1170 CarbonylContact O-C 3.49Å; T827-N1170 WeakPolarHBondContact O-CA 3.46Å; T827-A1171 PolarHBondContact O-N 3.02Å
828	T	93	Very high	95.9	Very high	134 Å²	134	46.9 Å²	46.9	82%	0.822	23%	0.234	S	C	*	.	S	Bend	trans	-96.3	-13.3	167	53.7	0	0	0	0	112.3	A1171	T828-A1171 HydrophobicContact CG2-CB 4.2Å
829	K	95.6	Very high	96.1	Very high	122 Å²	122	46.9 Å²	46.9	53%	0.53	23%	0.234	S	C	.	.			trans	-90.1	132.2	179.8	-171.8	178.5	173.3	-148	0	109.8	T827 E1167	T827-K829 VanDerWaalsContact CG2-O 3.25Å; T827-K829 WeakPolarHBondContact CG2-O 3.41Å; T827-K829 PolarHBondContact OG1-N 3.28Å; T827-K829 VanDerWaalsContact OG1-N 3.1Å; T827-K829 PolarHBondContact OG1-O 2.9Å; K829-E1167 HydrophobicContact CB-CG 4.21Å; K829-E1167 HydrophobicContact CD-CG 4.37Å; K829-E1167 WeakPolarHBondContact CD-OE1 3.5Å; K829-E1167 WeakPolarHBondContact CE-OE1 3.42Å; K829-E1167 HydrophobicContact CG-CG 4.31Å; K829-E1167 IonicContact NZ-OE1 3.56Å; K829-E1167 PolarHBondContact NZ-OE1 3.35Å
830	V	95	Very high	96.3	Very high	45 Å²	45	45.1 Å²	45.1	27%	0.273	22%	0.223	S	C	.	.			trans	-128	123.4	-178.4	176.2	0	0	0	0	107.8	P1113 K1161 N1170	V830-P1113 HydrophobicContact CG2-CG 4.14Å; V830-K1161 HydrophobicContact CG1-CB 4.4Å; V830-K1161 HydrophobicContact CG1-CD 4.15Å; V830-K1161 HydrophobicContact CG1-CG 3.94Å; V830-N1170 HydrophobicContact CG2-CB 4.07Å
831	T	97.3	Very high	96.3	Very high	40 Å²	40	45.6 Å²	45.6	25%	0.245	23%	0.225	C	C	.	.			trans	-104.3	128.4	170.9	-58.7	0	0	0	0	108.6	L1162 K1164 E1167	T831-L1162 HydrophobicContact CG2-CB 4.43Å; T831-L1162 HydrophobicContact CG2-CD2 4.17Å; T831-L1162 WeakPolarHBondContact O-CB 3.48Å; T831-L1162 PolarHBondContact O-N 2.86Å; T831-K1164 HydrophobicContact CG2-CD 4.32Å; T831-K1164 PolarHBondContact OG1-NZ 2.84Å; T831-E1167 WeakPolarHBondContact CB-OE2 3.45Å; T831-E1167 PolarHBondContact N-OE2 2.95Å; T831-E1167 VanDerWaalsContact N-OE2 3.15Å; T831-E1167 PolarHBondContact OG1-OE1 3.03Å; T831-E1167 PolarHBondContact OG1-OE2 3.17Å
832	D	97	Very high	96.4	Very high	85 Å²	85	45.6 Å²	45.6	46%	0.455	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141	175.2	-69.5	-24.1	0	0	0	112	R834 Q1112 P1159	D832-R834 PolarHBondContact O-N 3.03Å; D832-Q1112 PolarHBondContact OD1-NE2 2.56Å; D832-P1159 HydrophobicContact CB-CB 3.68Å; D832-P1159 HydrophobicContact CB-CG 3.69Å; D832-P1159 WeakPolarHBondContact OD1-CG 3.13Å
833	D	97.2	Very high	96.7	Very high	2 Å²	2	43 Å²	43	1%	0.011	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	111.5	168.5	-165.9	-31.7	0	0	0	109.5	E835 Y836 P1159 A1160 L1162 R1261 N1325	D833-E835 VanDerWaalsContact C-N 3.25Å; D833-E835 PolarHBondContact O-N 2.95Å; D833-E835 PolarHBondContact OD1-N 3Å; D833-Y836 PolarHBondContact OD1-N 3.06Å; D833-Y836 VanDerWaalsContact OD1-N 3.1Å; D833-P1159 WeakPolarHBondContact O-CB 3.16Å; D833-A1160 HydrophobicContact CB-CB 4.14Å; D833-A1160 VanDerWaalsContact CB-O 3.3Å; D833-A1160 WeakPolarHBondContact CB-O 3.44Å; D833-A1160 PolarHBondContact N-O 2.72Å; D833-L1162 HydrophobicContact CB-CB 4.36Å; D833-L1162 HydrophobicContact CB-CD1 4.31Å; D833-R1261 IonicContact OD1-CZ 3.98Å; D833-R1261 IonicContact OD1-NH2 3.18Å; D833-R1261 PolarHBondContact OD1-NH2 2.85Å; D833-R1261 IonicContact OD2-CZ 3.5Å; D833-R1261 VanDerWaalsContact OD2-CZ 3.3Å; D833-R1261 IonicContact OD2-NE 2.67Å; D833-R1261 PolarHBondContact OD2-NE 2.73Å; D833-R1261 IonicContact OD2-NH2 3.45Å; D833-R1261 PolarHBondContact OD2-NH2 3.15Å; D833-R1261 VanDerWaalsContact OD2-NH2 3.07Å; D833-N1325 PolarHBondContact O-ND2 2.56Å
834	R	95.7	Very high	96.8	Very high	200 Å²	200	40.4 Å²	40.4	76%	0.755	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	-10.8	-179.7	-65.3	-173.2	178.4	-171.5	-1.6	113.2	D832 N1327	D832-R834 PolarHBondContact O-N 3.03Å; R834-N1327 PolarHBondContact O-ND2 3.46Å; R834-N1327 PolarHBondContact O-OD1 3.29Å
835	E	96.3	Very high	96.9	Very high	104 Å²	104	42 Å²	42	49%	0.486	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-37	-179.3	-60.6	175.5	177.2	0	0	111.3	D833 R1261 V1324 N1325	D833-E835 VanDerWaalsContact C-N 3.25Å; D833-E835 PolarHBondContact O-N 2.95Å; D833-E835 PolarHBondContact OD1-N 3Å; E835-R1261 IonicContact OE2-CZ 2.77Å; E835-R1261 IonicContact OE2-NH1 3.82Å; E835-R1261 PolarHBondContact OE2-NH1 3.25Å; E835-R1261 IonicContact OE2-NH2 3.63Å; E835-R1261 PolarHBondContact OE2-NH2 3.03Å; E835-V1324 WeakPolarHBondContact O-CA 3.36Å; E835-N1325 PolarHBondContact O-N 3.25Å
836	Y	97.8	Very high	97	Very high	27 Å²	27	42 Å²	42	11%	0.106	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.9	-172.1	-55.6	-39.5	0	0	0	114.2	D833 L840 K1071 A1160 G1259 R1261 F1323	D833-Y836 PolarHBondContact OD1-N 3.06Å; D833-Y836 VanDerWaalsContact OD1-N 3.1Å; Y836-L840 HydrophobicContact CD2-CD2 3.61Å; Y836-L840 HydrophobicContact CE2-CD2 4.44Å; Y836-L840 HydrophobicContact CG-CD2 3.95Å; Y836-K1071 HydrophobicContact CD1-CB 4.2Å; Y836-K1071 HydrophobicContact CD1-CG 3.9Å; Y836-K1071 HydrophobicContact CD2-CB 4.48Å; Y836-K1071 HydrophobicContact CE1-CB 3.79Å; Y836-K1071 HydrophobicContact CE1-CG 3.45Å; Y836-K1071 VanDerWaalsContact CE1-CG 3.45Å; Y836-K1071 HydrophobicContact CE2-CB 4.02Å; Y836-K1071 WeakPolarHBondContact CE2-O 3.44Å; Y836-K1071 PolarHBondContact OH-O 3.07Å; Y836-A1160 PolarHBondContact O-N 3.42Å; Y836-G1259 PolarHBondContact OH-O 3.34Å; Y836-R1261 HydrophobicContact CD2-CG 4.05Å; Y836-R1261 VanDerWaalsContact CD2-NE 3.27Å; Y836-R1261 HydrophobicContact CE2-CG 4.06Å; Y836-R1261 VanDerWaalsContact CE2-NH1 3.33Å; Y836-F1323 CarbonylContact C-O 3.57Å; Y836-F1323 VanDerWaalsContact CA-O 3.23Å; Y836-F1323 WeakPolarHBondContact CA-O 3.3Å; Y836-F1323 WeakPolarHBondContact CB-O 3.06Å
837	S	98	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	165	178.3	71.9	0	0	0	0	110.9	M839 L840 F1156 G1158 A1160 V1322 F1323	S837-M839 PolarHBondContact O-N 3.19Å; S837-M839 WeakPolarHBondContact OG-CB 3.48Å; S837-M839 PolarHBondContact OG-N 2.84Å; S837-L840 VanDerWaalsContact O-CB 3.3Å; S837-L840 WeakPolarHBondContact O-CB 3.21Å; S837-L840 PolarHBondContact O-N 3.19Å; S837-F1156 VanDerWaalsContact CB-O 3.23Å; S837-F1156 WeakPolarHBondContact CB-O 3.26Å; S837-G1158 CarbonylContact C-O 3.34Å; S837-G1158 WeakPolarHBondContact CA-O 3.49Å; S837-G1158 WeakPolarHBondContact CB-O 3.29Å; S837-A1160 WeakPolarHBondContact O-CB 3.03Å; S837-V1322 PolarHBondContact OG-O 2.88Å; S837-F1323 PolarHBondContact N-O 3.19Å; S837-F1323 WeakPolarHBondContact OG-CA 3.35Å; S837-F1323 PolarHBondContact OG-O 3.28Å
838	H	98.1	Very high	97.3	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.037	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.4	176.5	-166.6	86.6	0	0	0	112.6	L840 M841 Q842 Q1112 M1155 G1158	H838-L840 PolarHBondContact O-N 3.17Å; H838-M841 WeakPolarHBondContact CE1-CE 3.49Å; H838-M841 WeakPolarHBondContact NE2-CE 3.35Å; H838-M841 WeakPolarHBondContact O-CB 3.38Å; H838-M841 PolarHBondContact O-N 2.95Å; H838-Q842 PolarHBondContact O-N 2.91Å; H838-Q1112 WeakPolarHBondContact ND1-CG 3.28Å; H838-M1155 CarbonylContact C-O 3.19Å; H838-M1155 WeakPolarHBondContact CA-O 3.2Å; H838-M1155 WeakPolarHBondContact CB-O 3.49Å; H838-M1155 PolarHBondContact N-O 2.97Å; H838-M1155 VanDerWaalsContact N-O 3.13Å; H838-G1158 PolarHBondContact N-O 3.33Å
839	M	98.3	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-28.5	172.1	-171	58.1	73.5	0	0	112.3	S837 M841 Q842 W843 M1021 M1155 F1156 L1304 L1308 V1322 F1323	S837-M839 PolarHBondContact O-N 3.19Å; S837-M839 WeakPolarHBondContact OG-CB 3.48Å; S837-M839 PolarHBondContact OG-N 2.84Å; M839-M841 VanDerWaalsContact C-N 3.33Å; M839-M841 PolarHBondContact O-N 3.42Å; M839-Q842 PolarHBondContact O-N 3.36Å; M839-Q842 HydrophobicContact SD-CB 4.43Å; M839-W843 WeakPolarHBondContact O-CB 3.45Å; M839-W843 PolarHBondContact O-N 2.71Å; M839-M1021 HydrophobicContact CE-SD 4.38Å; M839-M1021 HydrophobicContact SD-CE 4.36Å; M839-M1021 HydrophobicContact SD-SD 4.06Å; M839-M1155 HydrophobicContact CE-CB 3.84Å; M839-M1155 HydrophobicContact CE-CE 4.33Å; M839-M1155 PolarHBondContact N-O 3.4Å; M839-F1156 HydrophobicContact CE-CB 4.43Å; M839-L1304 HydrophobicContact CG-CD2 3.9Å; M839-L1304 HydrophobicContact SD-CD2 3.94Å; M839-L1308 HydrophobicContact CE-CD1 4.46Å; M839-V1322 HydrophobicContact CG-CG2 4.03Å; M839-F1323 HydrophobicContact CB-CD1 4.31Å; M839-F1323 HydrophobicContact CG-CD1 3.98Å; M839-F1323 HydrophobicContact CG-CE1 3.85Å
840	L	98.2	Very high	97.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-59	-45.5	173.9	-170.7	81.5	0	0	0	111.4	Y836 S837 H838 G844 W1068 K1071 V1072 L1110 R1261 F1323	Y836-L840 HydrophobicContact CD2-CD2 3.61Å; Y836-L840 HydrophobicContact CE2-CD2 4.44Å; Y836-L840 HydrophobicContact CG-CD2 3.95Å; S837-L840 VanDerWaalsContact O-CB 3.3Å; S837-L840 WeakPolarHBondContact O-CB 3.21Å; S837-L840 PolarHBondContact O-N 3.19Å; H838-L840 PolarHBondContact O-N 3.17Å; L840-G844 PolarHBondContact O-N 3.1Å; L840-W1068 PolarHBondContact O-NE1 3.42Å; L840-K1071 HydrophobicContact CD1-CB 3.6Å; L840-K1071 HydrophobicContact CD1-CG 4.42Å; L840-V1072 HydrophobicContact CD1-CG2 3.9Å; L840-V1072 HydrophobicContact CD2-CG2 4.49Å; L840-V1072 HydrophobicContact CG-CG2 4.27Å; L840-L1110 HydrophobicContact CD2-CD1 4.25Å; L840-R1261 HydrophobicContact CD2-CG 4.24Å; L840-F1323 HydrophobicContact CD1-CB 4.21Å; L840-F1323 HydrophobicContact CD1-CD1 4.42Å
841	M	97.9	Very high	97.7	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.049	13%	0.127	C	C	.	.	H	α-helix	trans	-67.2	-49.7	176.3	-176.2	-74.2	-69.7	0	0	110.4	H838 M839 W843 G844 Q845 L1110 I1111	H838-M841 WeakPolarHBondContact CE1-CE 3.49Å; H838-M841 WeakPolarHBondContact NE2-CE 3.35Å; H838-M841 WeakPolarHBondContact O-CB 3.38Å; H838-M841 PolarHBondContact O-N 2.95Å; M839-M841 VanDerWaalsContact C-N 3.33Å; M839-M841 PolarHBondContact O-N 3.42Å; M841-W843 VanDerWaalsContact C-N 3.35Å; M841-W843 PolarHBondContact O-N 3Å; M841-G844 WeakPolarHBondContact O-CA 3.39Å; M841-G844 PolarHBondContact O-N 3.42Å; M841-Q845 PolarHBondContact O-N 3.22Å; M841-Q845 VanDerWaalsContact O-N 3.07Å; M841-L1110 HydrophobicContact CB-CB 3.8Å; M841-L1110 HydrophobicContact CG-CB 3.8Å; M841-I1111 HydrophobicContact CE-CG1 4.1Å; M841-I1111 HydrophobicContact CG-CG1 3.73Å; M841-I1111 HydrophobicContact SD-CD1 4.41Å; M841-I1111 HydrophobicContact SD-CG1 3.69Å
842	Q	98.4	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-41.1	-174	-172.5	65.1	70.4	0	0	112.5	H838 M839 G844 Q845 F846 M1021 M1155	H838-Q842 PolarHBondContact O-N 2.91Å; M839-Q842 PolarHBondContact O-N 3.36Å; M839-Q842 HydrophobicContact SD-CB 4.43Å; Q842-G844 VanDerWaalsContact C-N 3.32Å; Q842-Q845 VanDerWaalsContact NE2-OE1 3.17Å; Q842-Q845 PolarHBondContact O-N 2.84Å; Q842-F846 PolarHBondContact O-N 2.88Å; Q842-M1021 HydrophobicContact CG-CG 3.56Å; Q842-M1021 HydrophobicContact CG-SD 4.31Å; Q842-M1155 HydrophobicContact CB-SD 3.79Å; Q842-M1155 HydrophobicContact CG-CE 4.26Å; Q842-M1155 HydrophobicContact CG-SD 3.44Å; Q842-M1155 WeakPolarHBondContact CG-SD 3.22Å; Q842-M1155 PolarHBondContact OE1-SD 3.14Å
843	W	98.6	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-39.5	174.5	-175.6	-90.6	0	0	0	111.8	M839 M841 Q845 F846 L847 M1021 W1025 M1060 I1063 T1064 W1068 L1304 F1323	M839-W843 WeakPolarHBondContact O-CB 3.45Å; M839-W843 PolarHBondContact O-N 2.71Å; M841-W843 VanDerWaalsContact C-N 3.35Å; M841-W843 PolarHBondContact O-N 3Å; W843-Q845 PolarHBondContact O-N 2.8Å; W843-F846 PolarHBondContact O-N 3.38Å; W843-L847 VanDerWaalsContact O-CB 3.23Å; W843-L847 WeakPolarHBondContact O-CB 3.43Å; W843-L847 PolarHBondContact O-N 3.08Å; W843-M1021 HydrophobicContact CE3-CE 3.86Å; W843-M1021 HydrophobicContact CZ3-CE 4.14Å; W843-W1025 HydrophobicContact CH2-CH2 4.39Å; W843-W1025 AromaticContact CH2-CZ2 3.5Å; W843-W1025 HydrophobicContact CH2-CZ2 3.5Å; W843-W1025 AromaticContact CZ3-CE2 3.91Å; W843-W1025 AromaticContact CZ3-CZ2 3.6Å; W843-W1025 HydrophobicContact CZ3-CZ2 3.6Å; W843-W1025 AromaticContact CZ3-NE1 3.65Å; W843-M1060 HydrophobicContact CH2-CG 4.15Å; W843-I1063 HydrophobicContact CD2-CG2 4.33Å; W843-I1063 HydrophobicContact CE3-CG2 4.49Å; W843-I1063 HydrophobicContact CH2-CB 4.08Å; W843-I1063 HydrophobicContact CH2-CD1 4.12Å; W843-I1063 HydrophobicContact CH2-CG2 3.7Å; W843-I1063 HydrophobicContact CZ2-CB 3.89Å; W843-I1063 HydrophobicContact CZ2-CG2 3.49Å; W843-I1063 VanDerWaalsContact CZ2-CG2 3.49Å; W843-I1063 HydrophobicContact CZ3-CG2 4.19Å; W843-T1064 PolarHBondContact NE1-OG1 3.34Å; W843-W1068 AromaticContact CD1-CD1 3.37Å; W843-W1068 AromaticContact CD1-CD2 3.66Å; W843-W1068 AromaticContact CD1-CE2 3.81Å; W843-W1068 AromaticContact CD1-CG 3.37Å; W843-W1068 AromaticContact CD1-NE1 3.63Å; W843-W1068 AromaticContact CG-CD1 3.84Å; W843-W1068 HydrophobicContact CG-CG 4.21Å; W843-W1068 AromaticContact NE1-CG 3.98Å; W843-L1304 HydrophobicContact CE3-CD1 4.38Å; W843-L1304 HydrophobicContact CE3-CD2 3.71Å; W843-L1304 HydrophobicContact CZ3-CD1 3.92Å; W843-L1304 HydrophobicContact CZ3-CD2 4.04Å; W843-F1323 HydrophobicContact CB-CE1 3.67Å; W843-F1323 HydrophobicContact CB-CZ 4.26Å; W843-F1323 HydrophobicContact CD2-CE1 4.43Å; W843-F1323 HydrophobicContact CD2-CZ 4.16Å; W843-F1323 AromaticContact CG-CE1 3.92Å; W843-F1323 HydrophobicContact CG-CE1 3.92Å; W843-F1323 HydrophobicContact CG-CZ 4Å
844	G	98.3	Very high	97.1	Very high	12 Å²	12	23 Å²	23	12%	0.124	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-43	175.4	0	0	0	0	0	113	L840 M841 Q842 D848 F1104	L840-G844 PolarHBondContact O-N 3.1Å; M841-G844 WeakPolarHBondContact O-CA 3.39Å; M841-G844 PolarHBondContact O-N 3.42Å; Q842-G844 VanDerWaalsContact C-N 3.32Å; G844-D848 PolarHBondContact O-N 2.79Å; G844-F1104 WeakPolarHBondContact O-CE1 3.28Å
845	Q	98.2	Very high	96.7	Very high	40 Å²	40	13.7 Å²	13.7	19%	0.187	7%	0.07	C	C	.	.	H	α-helix	trans	-66.2	-46.5	175	-172.6	-176.4	25.6	0	0	111.7	M841 Q842 W843 L847 D848 H849 E1014 L1018	M841-Q845 PolarHBondContact O-N 3.22Å; M841-Q845 VanDerWaalsContact O-N 3.07Å; Q842-Q845 VanDerWaalsContact NE2-OE1 3.17Å; Q842-Q845 PolarHBondContact O-N 2.84Å; W843-Q845 PolarHBondContact O-N 2.8Å; Q845-L847 VanDerWaalsContact C-N 3.27Å; Q845-L847 PolarHBondContact O-N 2.79Å; Q845-D848 PolarHBondContact O-N 2.93Å; Q845-H849 PolarHBondContact O-CD2 3.05Å; Q845-H849 VanDerWaalsContact O-CD2 3.27Å; Q845-H849 PolarHBondContact O-N 3.26Å; Q845-H849 VanDerWaalsContact O-N 3.13Å; Q845-E1014 PolarHBondContact NE2-OE2 3.06Å; Q845-L1018 HydrophobicContact CG-CD1 4.34Å; Q845-L1018 HydrophobicContact CG-CD2 4.46Å
846	F	98.3	Very high	96.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61	-37.8	179	-177.5	-109.5	0	0	0	112.1	Q842 W843 H849 D850 V936 L1018 M1021 H1022 W1025 M1060	Q842-F846 PolarHBondContact O-N 2.88Å; W843-F846 PolarHBondContact O-N 3.38Å; F846-H849 PolarHBondContact O-N 3.45Å; F846-D850 PolarHBondContact O-N 2.84Å; F846-V936 HydrophobicContact CZ-CG2 4.09Å; F846-L1018 HydrophobicContact CB-CD1 4.21Å; F846-L1018 HydrophobicContact CD2-CD1 4.11Å; F846-M1021 HydrophobicContact CB-CB 4.5Å; F846-M1021 HydrophobicContact CD2-CB 3.89Å; F846-M1021 HydrophobicContact CE2-CB 4.34Å; F846-M1021 HydrophobicContact CG-CB 4.17Å; F846-H1022 AromaticContact CD2-NE2 3.93Å; F846-H1022 AromaticContact CE2-CE1 3.77Å; F846-H1022 AromaticContact CE2-CG 3.85Å; F846-H1022 AromaticContact CE2-ND1 3.69Å; F846-H1022 AromaticContact CE2-NE2 3.99Å; F846-W1025 AromaticContact CE1-CD1 3.29Å; F846-W1025 HydrophobicContact CE1-CD2 4.46Å; F846-W1025 AromaticContact CE1-CG 3.94Å; F846-W1025 HydrophobicContact CE1-CG 3.94Å; F846-W1025 AromaticContact CE1-NE1 3.47Å; F846-W1025 HydrophobicContact CZ-CB 4.08Å; F846-W1025 AromaticContact CZ-CD1 3.33Å; F846-W1025 AromaticContact CZ-CG 3.78Å; F846-W1025 HydrophobicContact CZ-CG 3.78Å; F846-M1060 HydrophobicContact CD1-CE 4.32Å; F846-M1060 HydrophobicContact CE1-CE 3.7Å; F846-M1060 HydrophobicContact CE1-SD 4.13Å; F846-M1060 HydrophobicContact CZ-CE 4.47Å
847	L	97.9	Very high	95.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-72.4	-39.6	175.5	-178	63.8	0	0	0	112.8	W843 Q845 H849 D850 L851 I931 T1064 W1068 F1104 F1274	W843-L847 VanDerWaalsContact O-CB 3.23Å; W843-L847 WeakPolarHBondContact O-CB 3.43Å; W843-L847 PolarHBondContact O-N 3.08Å; Q845-L847 VanDerWaalsContact C-N 3.27Å; Q845-L847 PolarHBondContact O-N 2.79Å; L847-H849 PolarHBondContact O-N 3.05Å; L847-D850 WeakPolarHBondContact O-CB 3.42Å; L847-D850 PolarHBondContact O-N 2.88Å; L847-L851 HydrophobicContact CD1-CD1 4.31Å; L847-L851 HydrophobicContact CG-CD1 4.07Å; L847-L851 WeakPolarHBondContact O-CG 3.09Å; L847-L851 PolarHBondContact O-N 3.39Å; L847-I931 HydrophobicContact CD1-CD1 4.08Å; L847-I931 HydrophobicContact CD1-CG1 3.98Å; L847-I931 HydrophobicContact CD1-CG2 3.93Å; L847-T1064 HydrophobicContact CD2-CG2 3.56Å; L847-W1068 HydrophobicContact CD2-CE3 4.31Å; L847-W1068 HydrophobicContact CD2-CH2 4.46Å; L847-W1068 HydrophobicContact CD2-CZ3 4.04Å; L847-F1104 HydrophobicContact CD2-CZ 4.25Å; L847-F1274 HydrophobicContact CD2-CE1 4.02Å; L847-F1274 HydrophobicContact CD2-CZ 3.87Å
848	D	97.9	Very high	95.5	Very high	29 Å²	29	9 Å²	9	16%	0.155	5%	0.051	C	C	.	.	H	α-helix	trans	-55.8	-38.7	172.9	179.8	64	0	0	0	110.9	G844 Q845 D850 L851 T852 R1011 F1104	G844-D848 PolarHBondContact O-N 2.79Å; Q845-D848 PolarHBondContact O-N 2.93Å; D848-D850 PolarHBondContact O-N 3.35Å; D848-L851 PolarHBondContact O-N 3.22Å; D848-T852 PolarHBondContact O-N 2.88Å; D848-T852 PolarHBondContact OD1-OG1 3.49Å; D848-R1011 IonicContact OD2-NH1 3.76Å; D848-F1104 HydrophobicContact CB-CD1 3.72Å; D848-F1104 HydrophobicContact CB-CE1 3.66Å; D848-F1104 WeakPolarHBondContact OD1-CD1 3.39Å
849	H	96.6	Very high	95.2	Very high	11 Å²	11	8.7 Å²	8.7	5%	0.051	5%	0.05	C	C	.	.	H	α-helix	trans	-75.8	-4.5	179.5	-68.8	-159.5	0	0	0	114.3	Q845 F846 L847 L927 S935 D1009 R1011 L1018	Q845-H849 PolarHBondContact O-CD2 3.05Å; Q845-H849 VanDerWaalsContact O-CD2 3.27Å; Q845-H849 PolarHBondContact O-N 3.26Å; Q845-H849 VanDerWaalsContact O-N 3.13Å; F846-H849 PolarHBondContact O-N 3.45Å; L847-H849 PolarHBondContact O-N 3.05Å; H849-L927 WeakPolarHBondContact O-CD1 3.45Å; H849-S935 WeakPolarHBondContact O-CB 3.38Å; H849-D1009 HydrophobicContact CB-CB 4.33Å; H849-D1009 IonicContact CG-OD1 3Å; H849-D1009 IonicContact ND1-OD1 3.04Å; H849-D1009 PolarHBondContact ND1-OD1 3.35Å; H849-R1011 PolarHBondContact CD2-NH1 3.25Å; H849-R1011 VanDerWaalsContact CD2-NH1 3.3Å; H849-R1011 VanDerWaalsContact CE1-CB 3.43Å; H849-R1011 WeakPolarHBondContact CE1-CB 3.01Å; H849-L1018 WeakPolarHBondContact CE1-CD2 3.22Å
850	D	97.8	Very high	94.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-92.1	-17.7	166.5	-160.4	14.1	0	0	0	111.6	F846 L847 D848 D932 A933 S934 S935 M1060	F846-D850 PolarHBondContact O-N 2.84Å; L847-D850 WeakPolarHBondContact O-CB 3.42Å; L847-D850 PolarHBondContact O-N 2.88Å; D848-D850 PolarHBondContact O-N 3.35Å; D850-D932 PolarHBondContact OD2-N 3Å; D850-A933 WeakPolarHBondContact OD1-CA 3.49Å; D850-A933 PolarHBondContact OD1-N 3.13Å; D850-A933 WeakPolarHBondContact OD2-CA 3.23Å; D850-A933 PolarHBondContact OD2-N 3.37Å; D850-S934 PolarHBondContact O-OG 2.96Å; D850-S934 VanDerWaalsContact O-OG 3.1Å; D850-S934 WeakPolarHBondContact OD1-CA 3.43Å; D850-S934 WeakPolarHBondContact OD1-CB 3.49Å; D850-S934 PolarHBondContact OD1-N 3.36Å; D850-S934 PolarHBondContact OD1-OG 2.91Å; D850-S935 PolarHBondContact OD1-N 3.43Å; D850-M1060 WeakPolarHBondContact OD2-CE 3.23Å
851	L	97.3	Very high	94.4	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-113.3	-39.4	-167.5	-64.4	174.6	0	0	0	113.5	L847 D848 N925 S929 I931 M1095 F1099 L1277	L847-L851 HydrophobicContact CD1-CD1 4.31Å; L847-L851 HydrophobicContact CG-CD1 4.07Å; L847-L851 WeakPolarHBondContact O-CG 3.09Å; L847-L851 PolarHBondContact O-N 3.39Å; D848-L851 PolarHBondContact O-N 3.22Å; L851-N925 PolarHBondContact O-ND2 3.42Å; L851-S929 VanDerWaalsContact CD2-O 3.25Å; L851-S929 WeakPolarHBondContact CD2-O 3.44Å; L851-I931 HydrophobicContact CD2-CG1 4Å; L851-M1095 HydrophobicContact CB-SD 4.01Å; L851-M1095 HydrophobicContact CD2-CE 4.26Å; L851-M1095 WeakPolarHBondContact O-CG 3.22Å; L851-F1099 HydrophobicContact CD1-CE1 4.46Å; L851-L1277 HydrophobicContact CD1-CD1 4.17Å; L851-L1277 HydrophobicContact CD2-CD1 4.12Å; L851-L1277 HydrophobicContact CD2-CD2 4.24Å
852	T	94.9	Very high	94.1	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.037	6%	0.055	C	C	.	.			trans	-138.8	129.9	-168.1	89.2	0	0	0	0	113.6	D848 N925 R1011 M1095 F1099 A1100	D848-T852 PolarHBondContact O-N 2.88Å; D848-T852 PolarHBondContact OD1-OG1 3.49Å; T852-N925 WeakPolarHBondContact CA-OD1 3.14Å; T852-R1011 VanDerWaalsContact O-CZ 3.3Å; T852-R1011 PolarHBondContact O-NH1 3.1Å; T852-R1011 PolarHBondContact O-NH2 2.86Å; T852-M1095 HydrophobicContact CG2-CB 4.47Å; T852-M1095 HydrophobicContact CG2-CG 3.91Å; T852-M1095 HydrophobicContact CG2-SD 3.91Å; T852-F1099 HydrophobicContact CG2-CD1 4.41Å; T852-F1099 HydrophobicContact CG2-CE1 4.4Å; T852-A1100 HydrophobicContact CG2-CB 3.65Å
853	L	93.1	Very high	93.8	Very high	17 Å²	17	9.8 Å²	9.8	9%	0.089	6%	0.056	C	C	.	.			trans	-150.1	116.1	163.4	-179.7	52.8	0	0	0	109.3	N925 V926 L927	L853-N925 PolarHBondContact N-OD1 3.48Å; L853-N925 WeakPolarHBondContact O-CA 3.42Å; L853-N925 PolarHBondContact O-OD1 3.22Å; L853-V926 HydrophobicContact CB-CG2 3.62Å; L853-V926 HydrophobicContact CD2-CG2 3.59Å; L853-V926 HydrophobicContact CG-CG2 3.59Å; L853-V926 PolarHBondContact O-N 2.93Å; L853-L927 HydrophobicContact CB-CD1 3.92Å; L853-L927 HydrophobicContact CB-CD2 4.32Å; L853-L927 HydrophobicContact CB-CG 3.73Å
854	T	92.3	Very high	93.2	Very high	18 Å²	18	13.4 Å²	13.4	11%	0.11	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-87.4	133.3	176.8	-48.8	0	0	0	0	111.3	F785 N856 S902 Q923 L924	F785-T854 HydrophobicContact CE2-CG2 4.19Å; F785-T854 WeakPolarHBondContact CE2-OG1 3.49Å; F785-T854 WeakPolarHBondContact CZ-OG1 3.39Å; T854-N856 PolarHBondContact O-N 3.22Å; T854-S902 VanDerWaalsContact CG2-OG 3.29Å; T854-S902 WeakPolarHBondContact CG2-OG 3.24Å; T854-Q923 HydrophobicContact CG2-CB 4.1Å; T854-L924 WeakPolarHBondContact CA-O 3.35Å
855	V	86.6	Confident	92.7	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.024	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-70.1	123.9	172.3	-175.7	0	0	0	0	110.7	P688 A692 A696 S902 S903 L924 V926	P688-V855 HydrophobicContact CB-CG1 3.87Å; P688-V855 HydrophobicContact CG-CG1 4.01Å; A692-V855 HydrophobicContact CB-CG2 4.19Å; A696-V855 HydrophobicContact CB-CG1 4.06Å; V855-S902 CarbonylContact O-C 3.53Å; V855-S902 VanDerWaalsContact O-CA 3.23Å; V855-S902 WeakPolarHBondContact O-CA 3.06Å; V855-S902 WeakPolarHBondContact O-CB 3.44Å; V855-S903 PolarHBondContact O-N 2.94Å; V855-L924 HydrophobicContact CG2-CB 4.32Å; V855-L924 HydrophobicContact CG2-CD2 3.83Å; V855-L924 HydrophobicContact CG2-CG 4.46Å; V855-V926 HydrophobicContact CG2-CG1 3.05Å
856	N	86.7	Confident	92.3	Very high	24 Å²	24	15.3 Å²	15.3	13%	0.128	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-79.1	155.1	164.9	-75.5	-16.1	0	0	0	110.1	T854 R1195	T854-N856 PolarHBondContact O-N 3.22Å; N856-R1195 PolarHBondContact OD1-NH2 2.96Å
857	A	90.3	Very high	92	Very high	9 Å²	9	18 Å²	18	7%	0.074	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-50.7	131.8	170.3	0	0	0	0	0	110.9	S859 P878 E900 R901 S903	A857-S859 PolarHBondContact O-N 2.94Å; A857-P878 HydrophobicContact CB-CB 3.31Å; A857-P878 HydrophobicContact CB-CG 4.11Å; A857-E900 HydrophobicContact CB-CB 4.49Å; A857-R901 WeakPolarHBondContact CB-O 3.06Å; A857-R901 PolarHBondContact N-O 3.06Å; A857-S903 WeakPolarHBondContact CA-OG 3.36Å
858	P	90	Very high	91.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.111	C	C	.	.	S	Bend	trans	-70.4	-1.3	-176.6	27.2	-34.9	0	0	0	113.6	I663 T666 Y687 P688 L693 A696 E700	I663-P858 HydrophobicContact CD1-CB 4.15Å; I663-P858 HydrophobicContact CD1-CG 3.6Å; I663-P858 HydrophobicContact CG1-CB 4.05Å; I663-P858 HydrophobicContact CG1-CG 3.83Å; I663-P858 HydrophobicContact CG2-CB 4.49Å; T666-P858 WeakPolarHBondContact CG2-O 3.28Å; Y687-P858 HydrophobicContact CE2-CB 4.28Å; Y687-P858 WeakPolarHBondContact CE2-O 3.38Å; P688-P858 HydrophobicContact CG-CB 4.29Å; L693-P858 HydrophobicContact CD1-CB 3.59Å; L693-P858 HydrophobicContact CD1-CG 4.17Å; A696-P858 HydrophobicContact CB-CG 4.34Å; E700-P858 HydrophobicContact CG-CG 4.38Å
859	S	91	Very high	90.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.			trans	-120.2	142.3	179.2	175.3	0	0	0	0	110.8	A662 T666 A857 L861 P878	A662-S859 WeakPolarHBondContact CB-OG 3.42Å; T666-S859 WeakPolarHBondContact OG1-CA 2.86Å; A857-S859 PolarHBondContact O-N 2.94Å; S859-L861 PolarHBondContact OG-N 3.44Å; S859-L861 PolarHBondContact OG-O 3.48Å; S859-P878 WeakPolarHBondContact O-CG 3.48Å
860	V	88.5	Confident	90.1	Very high	17 Å²	17	20 Å²	20	10%	0.103	12%	0.115	C	C	.	.	S	Bend	trans	-104	7.4	165.5	-56.9	0	0	0	0	112.2	W665 T666 C869 E900	W665-V860 HydrophobicContact CE3-CG2 4.22Å; W665-V860 HydrophobicContact CZ3-CG2 3.63Å; T666-V860 HydrophobicContact CG2-CG1 4.19Å; T666-V860 HydrophobicContact CG2-CG2 4.13Å; T666-V860 PolarHBondContact OG1-N 3.15Å; T666-V860 VanDerWaalsContact OG1-N 3.08Å; V860-C869 WeakPolarHBondContact O-CB 3.41Å; V860-C869 PolarHBondContact O-N 3.21Å; V860-C869 PolarHBondContact O-SG 2.97Å; V860-E900 HydrophobicContact CG1-CG 4.25Å
861	L	92.1	Very high	89.4	Confident	11 Å²	11	29.7 Å²	29.7	6%	0.058	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-103.9	136.9	173.2	-61.5	-170.3	0	0	0	110.3	A662 W665 S859 F863 D868 P878	A662-L861 HydrophobicContact CB-CB 4.03Å; W665-L861 HydrophobicContact CB-CD1 3.74Å; W665-L861 HydrophobicContact CD2-CD1 3.62Å; W665-L861 HydrophobicContact CD2-CD2 4.11Å; W665-L861 HydrophobicContact CD2-CG 3.98Å; W665-L861 HydrophobicContact CE3-CD1 3.82Å; W665-L861 HydrophobicContact CE3-CD2 3.72Å; W665-L861 HydrophobicContact CE3-CG 3.61Å; W665-L861 HydrophobicContact CG-CD1 3.6Å; W665-L861 HydrophobicContact CG-CG 4.41Å; W665-L861 HydrophobicContact CH2-CD2 3.99Å; W665-L861 HydrophobicContact CZ2-CD2 4.39Å; W665-L861 HydrophobicContact CZ3-CD2 3.68Å; W665-L861 HydrophobicContact CZ3-CG 4.06Å; S859-L861 PolarHBondContact OG-N 3.44Å; S859-L861 PolarHBondContact OG-O 3.48Å; L861-F863 PolarHBondContact O-N 3.42Å; L861-D868 VanDerWaalsContact CD2-CA 3.49Å; L861-D868 HydrophobicContact CD2-CB 3.79Å; L861-P878 WeakPolarHBondContact O-CD 3.34Å
862	Q	92.2	Very high	88.9	Confident	3 Å²	3	30.5 Å²	30.5	1%	0.014	16%	0.156	C	C	.	.			trans	-56	124.8	166.3	-69	-174	-10.1	0	0	109.8	Q864 T865 G866 V867 Q874 R876 P877 C879	Q862-Q864 PolarHBondContact O-N 2.96Å; Q862-T865 WeakPolarHBondContact CB-OG1 3.36Å; Q862-T865 PolarHBondContact O-N 2.74Å; Q862-T865 PolarHBondContact OE1-OG1 3Å; Q862-G866 VanDerWaalsContact O-CA 3.3Å; Q862-G866 WeakPolarHBondContact O-CA 3.32Å; Q862-G866 PolarHBondContact O-N 3.4Å; Q862-V867 PolarHBondContact N-O 2.64Å; Q862-Q874 PolarHBondContact NE2-O 3.01Å; Q862-R876 HydrophobicContact CG-CB 4.13Å; Q862-P877 WeakPolarHBondContact CA-O 3.5Å; Q862-C879 HydrophobicContact CG-CB 4.48Å; Q862-C879 WeakPolarHBondContact CG-SG 3.31Å
863	F	91.4	Very high	88.5	Confident	3 Å²	3	31.2 Å²	31.2	1%	0.013	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-47.2	-174	-59.4	-54	0	0	0	112.2	V659 R661 A662 E700 Q704 L861 P877 P878	V659-F863 HydrophobicContact CB-CD1 4.27Å; V659-F863 HydrophobicContact CB-CE1 4.4Å; V659-F863 HydrophobicContact CG1-CE1 4.18Å; V659-F863 HydrophobicContact CG2-CB 4.49Å; V659-F863 HydrophobicContact CG2-CD1 3.82Å; V659-F863 HydrophobicContact CG2-CD2 4.45Å; V659-F863 HydrophobicContact CG2-CE1 4.1Å; V659-F863 HydrophobicContact CG2-CG 4.02Å; R661-F863 PolarHBondContact NH2-O 2.84Å; A662-F863 HydrophobicContact CB-CD1 3.75Å; A662-F863 HydrophobicContact CB-CE1 4.14Å; E700-F863 HydrophobicContact CB-CE2 4.18Å; E700-F863 HydrophobicContact CB-CZ 3.86Å; E700-F863 HydrophobicContact CG-CE2 4.35Å; E700-F863 HydrophobicContact CG-CZ 3.81Å; E700-F863 WeakPolarHBondContact OE2-CE2 3.28Å; Q704-F863 HydrophobicContact CG-CB 4.47Å; L861-F863 PolarHBondContact O-N 3.42Å; F863-P877 HydrophobicContact CD2-CB 4.02Å; F863-P877 HydrophobicContact CE2-CB 4.11Å; F863-P877 PolarHBondContact N-O 3.01Å; F863-P878 HydrophobicContact CE2-CB 4.36Å; F863-P878 HydrophobicContact CE2-CG 4.42Å; F863-P878 HydrophobicContact CZ-CB 4.31Å; F863-P878 HydrophobicContact CZ-CG 4.15Å
864	Q	85.7	Confident	88.3	Confident	76 Å²	76	35.3 Å²	35.3	36%	0.355	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-41.3	-176	-68.7	173	-0.8	0	0	114.1	S707 Q862	S707-Q864 PolarHBondContact OG-NE2 3.46Å; Q862-Q864 PolarHBondContact O-N 2.96Å
865	T	88.4	Confident	88.2	Confident	64 Å²	64	35.8 Å²	35.8	39%	0.393	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-18.9	-169.5	64.5	0	0	0	0	112.9	Q862 V867	Q862-T865 WeakPolarHBondContact CB-OG1 3.36Å; Q862-T865 PolarHBondContact O-N 2.74Å; Q862-T865 PolarHBondContact OE1-OG1 3Å; T865-V867 PolarHBondContact O-N 2.72Å; T865-V867 WeakPolarHBondContact OG1-CB 3.09Å; T865-V867 WeakPolarHBondContact OG1-CG2 3.23Å; T865-V867 PolarHBondContact OG1-N 3.32Å
866	G	90	Very high	88.4	Confident	28 Å²	28	39.9 Å²	39.9	29%	0.289	20%	0.197	S	C	.	.			trans	68.2	9.1	-170.9	0	0	0	0	0	114.2	Q862	Q862-G866 VanDerWaalsContact O-CA 3.3Å; Q862-G866 WeakPolarHBondContact O-CA 3.32Å; Q862-G866 PolarHBondContact O-N 3.4Å
867	V	90.5	Very high	88.5	Confident	58 Å²	58	40.7 Å²	40.7	35%	0.352	20%	0.203	S	C	.	.			trans	-73.5	129	178.1	176.9	0	0	0	0	109.3	Q862 T865 C869 T872	Q862-V867 PolarHBondContact N-O 2.64Å; T865-V867 PolarHBondContact O-N 2.72Å; T865-V867 WeakPolarHBondContact OG1-CB 3.09Å; T865-V867 WeakPolarHBondContact OG1-CG2 3.23Å; T865-V867 PolarHBondContact OG1-N 3.32Å; V867-C869 PolarHBondContact O-N 3Å; V867-T872 HydrophobicContact CG1-CG2 3.89Å
868	D	87.8	Confident	88.6	Confident	15 Å²	15	40.4 Å²	40.4	8%	0.08	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-60.7	128.8	173.1	-174.4	-21.9	0	0	0	110.5	R669 L861 K870 R871	R669-D868 IonicContact NH1-OD2 3.62Å; R669-D868 PolarHBondContact NH1-OD2 2.96Å; L861-D868 VanDerWaalsContact CD2-CA 3.49Å; L861-D868 HydrophobicContact CD2-CB 3.79Å; D868-K870 PolarHBondContact O-N 2.96Å; D868-K870 VanDerWaalsContact O-N 3.16Å; D868-K870 WeakPolarHBondContact OD1-CB 3.48Å; D868-K870 WeakPolarHBondContact OD1-CG 3.47Å; D868-K870 PolarHBondContact OD1-N 3.15Å; D868-R871 HydrophobicContact CB-CG 4.21Å; D868-R871 PolarHBondContact O-N 3.08Å
869	C	86.2	Confident	88.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-52.6	-35.5	177.1	-65.2	0	0	0	0	110.8	V860 V867 R871 T872 C879 N881	V860-C869 WeakPolarHBondContact O-CB 3.41Å; V860-C869 PolarHBondContact O-N 3.21Å; V860-C869 PolarHBondContact O-SG 2.97Å; V867-C869 PolarHBondContact O-N 3Å; C869-R871 PolarHBondContact O-N 3.3Å; C869-T872 PolarHBondContact O-N 2.93Å; C869-C879 WeakPolarHBondContact CA-SG 3.34Å; C869-C879 HydrophobicContact CB-CB 3.8Å; C869-C879 WeakPolarHBondContact CB-SG 3.32Å; C869-C879 VanDerWaalsContact SG-CA 3.5Å; C869-C879 WeakPolarHBondContact SG-CB 3.47Å; C869-C879 CovalentContact SG-SG 2.03Å; C869-C879 PolarHBondContact SG-SG 2.93Å; C869-N881 PolarHBondContact O-ND2 2.64Å
870	K	79.2	Confident	88.8	Confident	65 Å²	65	40.5 Å²	40.5	28%	0.283	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-59.7	-21	176.2	-64.1	179.1	174.8	179.8	0	114.2	D868 E898	D868-K870 PolarHBondContact O-N 2.96Å; D868-K870 VanDerWaalsContact O-N 3.16Å; D868-K870 WeakPolarHBondContact OD1-CB 3.48Å; D868-K870 WeakPolarHBondContact OD1-CG 3.47Å; D868-K870 PolarHBondContact OD1-N 3.15Å; K870-E898 WeakPolarHBondContact CE-OE1 3.37Å; K870-E898 WeakPolarHBondContact CE-OE2 3.45Å; K870-E898 HydrophobicContact CG-CB 4.32Å; K870-E898 HydrophobicContact CG-CG 4.11Å; K870-E898 WeakPolarHBondContact CG-OE1 3.23Å; K870-E898 WeakPolarHBondContact CG-OE2 3.31Å; K870-E898 IonicContact NZ-OE2 2.8Å
871	R	83.2	Confident	89	Confident	205 Å²	205	40 Å²	40	77%	0.774	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-105.4	4.2	-171.9	-61.8	-174.7	177.6	-171.2	-0.7	114.2	D868 C869	D868-R871 HydrophobicContact CB-CG 4.21Å; D868-R871 PolarHBondContact O-N 3.08Å; C869-R871 PolarHBondContact O-N 3.3Å
872	T	86.1	Confident	88.9	Confident	16 Å²	16	39.6 Å²	39.6	10%	0.098	20%	0.196	C	C	.	.			trans	-142.5	150.2	-173.2	-174.7	0	0	0	0	112.7	V867 C869 Q874 N881	V867-T872 HydrophobicContact CG1-CG2 3.89Å; C869-T872 PolarHBondContact O-N 2.93Å; T872-Q874 WeakPolarHBondContact OG1-CB 3.21Å; T872-Q874 PolarHBondContact OG1-N 3.49Å; T872-Q874 VanDerWaalsContact OG1-N 3.12Å; T872-N881 PolarHBondContact O-ND2 2.69Å
873	C	87	Confident	88.7	Confident	21 Å²	21	43.3 Å²	43.3	14%	0.142	21%	0.213	C	C	.	.			trans	-109.6	14.3	170.3	-66.9	0	0	0	0	112.2	K805 E883 L895 C896	K805-C873 PolarHBondContact NZ-O 3.02Å; K805-C873 VanDerWaalsContact NZ-O 3.13Å; C873-E883 HydrophobicContact CB-CG 4.37Å; C873-L895 WeakPolarHBondContact SG-CB 3.49Å; C873-L895 PolarHBondContact SG-O 2.9Å; C873-C896 WeakPolarHBondContact CA-SG 3.48Å; C873-C896 HydrophobicContact CB-CB 4.29Å; C873-C896 WeakPolarHBondContact CB-SG 3.08Å; C873-C896 WeakPolarHBondContact SG-CB 3.46Å; C873-C896 CovalentContact SG-SG 2Å; C873-C896 PolarHBondContact SG-SG 2.97Å
874	Q	88.7	Confident	88.6	Confident	104 Å²	104	44.2 Å²	44.2	49%	0.486	22%	0.218	S	C	.	.			trans	-85.8	122.3	176.2	-63.4	-174.8	12.2	0	0	109.1	Q862 T872 R876	Q862-Q874 PolarHBondContact NE2-O 3.01Å; T872-Q874 WeakPolarHBondContact OG1-CB 3.21Å; T872-Q874 PolarHBondContact OG1-N 3.49Å; T872-Q874 VanDerWaalsContact OG1-N 3.12Å; Q874-R876 PolarHBondContact O-N 2.63Å; Q874-R876 VanDerWaalsContact O-N 3.1Å
875	N	91	Very high	88.7	Confident	27 Å²	27	41.5 Å²	41.5	14%	0.144	21%	0.207	C	C	.	.			trans	-69.1	104.6	171.9	-65.1	-19.1	0	0	0	108.8	W803 F880	W803-N875 HydrophobicContact CD2-CB 3.7Å; W803-N875 HydrophobicContact CE3-CB 3.73Å; W803-N875 HydrophobicContact CG-CB 4.41Å; W803-N875 VanDerWaalsContact CH2-C 3.49Å; W803-N875 HydrophobicContact CH2-CB 3.83Å; W803-N875 HydrophobicContact CZ2-CB 3.79Å; W803-N875 VanDerWaalsContact CZ2-O 3.22Å; W803-N875 WeakPolarHBondContact CZ2-O 3.36Å; W803-N875 HydrophobicContact CZ3-CB 3.8Å; W803-N875 PolarHBondContact O-ND2 3.38Å; N875-F880 HydrophobicContact CB-CD2 4.45Å
876	R	90.5	Very high	88.4	Confident	91 Å²	91	45 Å²	45	34%	0.343	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-149.7	136.9	173.5	-62.6	-168	-173.4	-153	2.3	108.4	Q862 Q874 C879	Q862-R876 HydrophobicContact CG-CB 4.13Å; Q874-R876 PolarHBondContact O-N 2.63Å; Q874-R876 VanDerWaalsContact O-N 3.1Å; R876-C879 PolarHBondContact N-O 3.46Å; R876-C879 WeakPolarHBondContact O-CA 3.46Å; R876-C879 WeakPolarHBondContact O-CB 3.49Å; R876-C879 PolarHBondContact O-N 2.99Å; R876-C879 VanDerWaalsContact O-O 3.12Å
877	P	89.2	Confident	88	Confident	41 Å²	41	50.9 Å²	50.9	27%	0.266	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	133.2	-177.6	-28.2	35.6	0	0	0	113.2	Q862 F863	Q862-P877 WeakPolarHBondContact CA-O 3.5Å; F863-P877 HydrophobicContact CD2-CB 4.02Å; F863-P877 HydrophobicContact CE2-CB 4.11Å; F863-P877 PolarHBondContact N-O 3.01Å
878	P	92	Very high	87.8	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.013	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.9	0.8	0.9	33.6	-30.5	0	0	0	115.1	A857 S859 L861 F863 R901	A857-P878 HydrophobicContact CB-CB 3.31Å; A857-P878 HydrophobicContact CB-CG 4.11Å; S859-P878 WeakPolarHBondContact O-CG 3.48Å; L861-P878 WeakPolarHBondContact O-CD 3.34Å; F863-P878 HydrophobicContact CE2-CB 4.36Å; F863-P878 HydrophobicContact CE2-CG 4.42Å; F863-P878 HydrophobicContact CZ-CB 4.31Å; F863-P878 HydrophobicContact CZ-CG 4.15Å; P878-R901 PolarHBondContact O-N 3.35Å
879	C	92.5	Very high	87.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-72.9	129.3	-174.5	-40.5	0	0	0	0	113.5	Q862 C869 R876	Q862-C879 HydrophobicContact CG-CB 4.48Å; Q862-C879 WeakPolarHBondContact CG-SG 3.31Å; C869-C879 WeakPolarHBondContact CA-SG 3.34Å; C869-C879 HydrophobicContact CB-CB 3.8Å; C869-C879 WeakPolarHBondContact CB-SG 3.32Å; C869-C879 VanDerWaalsContact SG-CA 3.5Å; C869-C879 WeakPolarHBondContact SG-CB 3.47Å; C869-C879 CovalentContact SG-SG 2.03Å; C869-C879 PolarHBondContact SG-SG 2.93Å; R876-C879 PolarHBondContact N-O 3.46Å; R876-C879 WeakPolarHBondContact O-CA 3.46Å; R876-C879 WeakPolarHBondContact O-CB 3.49Å; R876-C879 PolarHBondContact O-N 2.99Å; R876-C879 VanDerWaalsContact O-O 3.12Å
880	F	93.5	Very high	87.4	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.013	27%	0.27	C	S	.	.			trans	-138.8	53	170.8	-174.9	-143.2	0	0	0	111	P800 W803 N875 F899 R901 Q1194 R1197 D1198	P800-F880 HydrophobicContact CB-CD1 4.42Å; P800-F880 HydrophobicContact CB-CE1 3.78Å; P800-F880 HydrophobicContact CB-CZ 4.1Å; P800-F880 HydrophobicContact CG-CD1 3.82Å; P800-F880 HydrophobicContact CG-CD2 4.42Å; P800-F880 HydrophobicContact CG-CE1 3.51Å; P800-F880 HydrophobicContact CG-CE2 4.16Å; P800-F880 HydrophobicContact CG-CG 4.28Å; P800-F880 HydrophobicContact CG-CZ 3.7Å; W803-F880 AromaticContact CE3-CD2 3.65Å; W803-F880 HydrophobicContact CE3-CD2 3.65Å; W803-F880 HydrophobicContact CE3-CE2 4Å; W803-F880 HydrophobicContact CE3-CG 4.16Å; W803-F880 HydrophobicContact CZ3-CB 4.08Å; W803-F880 AromaticContact CZ3-CD2 3.94Å; W803-F880 HydrophobicContact CZ3-CD2 3.94Å; W803-F880 HydrophobicContact CZ3-CG 4.14Å; N875-F880 HydrophobicContact CB-CD2 4.45Å; F880-F899 CarbonylContact C-O 3.6Å; F880-F899 HydrophobicContact CB-CD1 4.1Å; F880-F899 HydrophobicContact CD1-CD1 4.32Å; F880-F899 HydrophobicContact CD1-CE1 4.22Å; F880-F899 PolarHBondContact N-O 3.24Å; F880-F899 WeakPolarHBondContact O-CD1 3.25Å; F880-R901 HydrophobicContact CB-CG 3.77Å; F880-Q1194 HydrophobicContact CD1-CG 4.34Å; F880-Q1194 HydrophobicContact CE1-CG 4.35Å; F880-Q1194 VanDerWaalsContact CE1-NE2 3.31Å; F880-Q1194 PolarHBondContact O-NE2 3.41Å; F880-R1197 HydrophobicContact CE1-CB 4.46Å; F880-D1198 HydrophobicContact CD1-CB 4.29Å; F880-D1198 HydrophobicContact CE1-CB 4.49Å
881	N	91.3	Very high	87.2	Confident	7 Å²	7	53 Å²	53	4%	0.037	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-64.3	156	-171	-62.1	-28.1	0	0	0	113.9	C869 T872 C896 M897 E898 F899	C869-N881 PolarHBondContact O-ND2 2.64Å; T872-N881 PolarHBondContact O-ND2 2.69Å; N881-C896 HydrophobicContact CB-CB 3.86Å; N881-M897 WeakPolarHBondContact CA-O 3.41Å; N881-M897 WeakPolarHBondContact CB-O 3.17Å; N881-E898 WeakPolarHBondContact OD1-CA 3.41Å; N881-F899 PolarHBondContact OD1-N 3.35Å; N881-F899 PolarHBondContact OD1-O 3.4Å
882	I	90.7	Very high	86.5	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.1	177.3	-57.7	121.6	0	0	0	109.4	P817 R818 C896 M897 F899 T1190 Q1194	P817-I882 HydrophobicContact CB-CG2 4.4Å; P817-I882 HydrophobicContact CG-CG1 4.49Å; P817-I882 HydrophobicContact CG-CG2 4.4Å; R818-I882 HydrophobicContact CB-CG2 4.34Å; I882-C896 CarbonylContact O-C 3.59Å; I882-C896 WeakPolarHBondContact O-CA 3.31Å; I882-C896 WeakPolarHBondContact O-CB 3.37Å; I882-M897 HydrophobicContact CB-CB 4.3Å; I882-M897 HydrophobicContact CD1-CB 4.49Å; I882-M897 HydrophobicContact CD1-SD 4.44Å; I882-M897 PolarHBondContact N-O 3.08Å; I882-M897 PolarHBondContact O-N 2.91Å; I882-F899 HydrophobicContact CD1-CB 4.13Å; I882-F899 HydrophobicContact CD1-CD2 4.32Å; I882-T1190 HydrophobicContact CB-CG2 4.31Å; I882-T1190 HydrophobicContact CD1-CG2 3.65Å; I882-T1190 HydrophobicContact CG1-CG2 4Å; I882-T1190 HydrophobicContact CG2-CG2 3.89Å; I882-Q1194 HydrophobicContact CD1-CB 4.04Å; I882-Q1194 HydrophobicContact CD1-CG 3.98Å; I882-Q1194 HydrophobicContact CG1-CB 4.09Å; I882-Q1194 HydrophobicContact CG1-CG 3.79Å
883	E	88.9	Confident	85.4	Confident	81 Å²	81	59.3 Å²	59.3	38%	0.379	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	138.4	174.5	-62.5	-172.4	146.5	0	0	111.5	K805 N816 C873	K805-E883 WeakPolarHBondContact CE-OE1 3.45Å; K805-E883 IonicContact NZ-OE1 3.11Å; K805-E883 PolarHBondContact NZ-OE1 2.97Å; N816-E883 PolarHBondContact ND2-O 2.93Å; C873-E883 HydrophobicContact CB-CG 4.37Å
884	I	88.2	Confident	84.3	Confident	22 Å²	22	60.7 Å²	60.7	11%	0.113	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-81.4	126.1	174	-57.4	-50	0	0	0	108.9	D888 I891 L895 M897	I884-D888 HydrophobicContact CG2-CB 3.66Å; I884-I891 HydrophobicContact CD1-CD1 3.49Å; I884-I891 VanDerWaalsContact CD1-CD1 3.49Å; I884-I891 HydrophobicContact CG1-CD1 4.17Å; I884-I891 HydrophobicContact CG1-CG2 4.06Å; I884-I891 HydrophobicContact CG2-CB 3.76Å; I884-I891 HydrophobicContact CG2-CD1 4.37Å; I884-I891 HydrophobicContact CG2-CG2 3.88Å; I884-L895 PolarHBondContact N-O 3.39Å; I884-M897 HydrophobicContact CD1-CB 3.92Å
885	P	87.1	Confident	83.6	Confident	19 Å²	19	62.3 Å²	62.3	12%	0.123	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64.5	143.4	178.2	25.2	-31.3	0	0	0	110.6	R818 V819 N887 D888	R818-P885 HydrophobicContact CG-CG 4.18Å; V819-P885 HydrophobicContact CG2-CB 3.76Å; V819-P885 HydrophobicContact CG2-CG 3.84Å; P885-N887 PolarHBondContact O-N 2.87Å; P885-D888 HydrophobicContact CG-CB 4.03Å; P885-D888 WeakPolarHBondContact O-CB 3.09Å; P885-D888 PolarHBondContact O-N 3.1Å
886	P	83	Confident	83.3	Confident	136 Å²	136	61.9 Å²	61.9	88%	0.883	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.2	-176.2	-27.8	34.2	0	0	0	115.2
887	N	82.2	Confident	82.8	Confident	152 Å²	152	57.7 Å²	57.7	81%	0.813	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	19.4	-178.9	-63.6	-20.4	0	0	0	112.7	P885 H889	P885-N887 PolarHBondContact O-N 2.87Å; N887-H889 PolarHBondContact O-N 2.85Å
888	D	86.1	Confident	82.5	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.293	C	S	.	.			trans	-56.8	127	176.9	-162.4	-70.5	0	0	0	109.9	R818 Q822 I884 P885 R890 I891 K892	R818-D888 WeakPolarHBondContact CG-OD2 3.24Å; R818-D888 IonicContact CZ-OD2 3.86Å; R818-D888 IonicContact NE-OD2 3.98Å; R818-D888 PolarHBondContact NE-OD2 3.46Å; R818-D888 IonicContact NH2-OD1 3.34Å; R818-D888 PolarHBondContact NH2-OD1 3.14Å; R818-D888 IonicContact NH2-OD2 3.48Å; R818-D888 PolarHBondContact NH2-OD2 2.99Å; Q822-D888 PolarHBondContact NE2-OD2 3.27Å; I884-D888 HydrophobicContact CG2-CB 3.66Å; P885-D888 HydrophobicContact CG-CB 4.03Å; P885-D888 WeakPolarHBondContact O-CB 3.09Å; P885-D888 PolarHBondContact O-N 3.1Å; D888-R890 VanDerWaalsContact C-N 3.31Å; D888-R890 PolarHBondContact O-N 3.27Å; D888-R890 WeakPolarHBondContact OD1-CA 3.18Å; D888-R890 PolarHBondContact OD1-N 3.23Å; D888-I891 HydrophobicContact CB-CB 4.41Å; D888-I891 PolarHBondContact OD1-N 2.9Å; D888-K892 PolarHBondContact O-NZ 2.76Å
889	H	84.2	Confident	82.3	Confident	110 Å²	110	57.2 Å²	57.2	51%	0.509	29%	0.293	S	S	.	.	S	Bend	trans	-72.5	-29.4	-175.4	65.6	-90.5	0	0	0	111.6	Q822 N887 K892 E1175	Q822-H889 PolarHBondContact NE2-ND1 3.14Å; N887-H889 PolarHBondContact O-N 2.85Å; H889-K892 VanDerWaalsContact O-CE 3.27Å; H889-K892 WeakPolarHBondContact O-CE 3.46Å; H889-K892 PolarHBondContact O-NZ 3Å; H889-E1175 IonicContact CE1-OE1 3.29Å; H889-E1175 PolarHBondContact CE1-OE1 2.91Å; H889-E1175 IonicContact CE1-OE2 3.03Å; H889-E1175 IonicContact NE2-OE1 2.69Å; H889-E1175 IonicContact NE2-OE2 3.66Å; H889-E1175 PolarHBondContact NE2-OE2 2.93Å
890	R	80.2	Confident	82.2	Confident	60 Å²	60	58.4 Å²	58.4	23%	0.226	30%	0.298	C	S	.	.	S	Bend	trans	-95.3	-46.6	-176.2	179.2	173.4	59.8	87.3	-13.7	112.2	D888 K892 E1175 A1185	D888-R890 VanDerWaalsContact C-N 3.31Å; D888-R890 PolarHBondContact O-N 3.27Å; D888-R890 WeakPolarHBondContact OD1-CA 3.18Å; D888-R890 PolarHBondContact OD1-N 3.23Å; R890-K892 PolarHBondContact O-N 2.02Å; R890-E1175 WeakPolarHBondContact CD-O 3.26Å; R890-E1175 WeakPolarHBondContact CD-OE2 3.12Å; R890-E1175 IonicContact CZ-OE2 3.05Å; R890-E1175 PolarHBondContact NE-O 3.38Å; R890-E1175 IonicContact NE-OE2 2.58Å; R890-E1175 PolarHBondContact NE-OE2 3.44Å; R890-A1185 PolarHBondContact NH1-O 3.16Å; R890-A1185 PolarHBondContact NH2-O 2.86Å
891	I	75	Confident	82.2	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.067	30%	0.299	C	S	.	.			trans	-97.7	95.9	-171.7	-52.4	168.3	0	0	0	109.2	I884 D888 Y893 M897 V1184	I884-I891 HydrophobicContact CD1-CD1 3.49Å; I884-I891 VanDerWaalsContact CD1-CD1 3.49Å; I884-I891 HydrophobicContact CG1-CD1 4.17Å; I884-I891 HydrophobicContact CG1-CG2 4.06Å; I884-I891 HydrophobicContact CG2-CB 3.76Å; I884-I891 HydrophobicContact CG2-CD1 4.37Å; I884-I891 HydrophobicContact CG2-CG2 3.88Å; D888-I891 HydrophobicContact CB-CB 4.41Å; D888-I891 PolarHBondContact OD1-N 2.9Å; I891-Y893 WeakPolarHBondContact CG2-O 3.35Å; I891-M897 HydrophobicContact CD1-CE 4.18Å; I891-V1184 HydrophobicContact CD1-CG1 3.36Å; I891-V1184 HydrophobicContact CG1-CG1 3.74Å; I891-V1184 HydrophobicContact CG2-CG1 4.3Å; I891-V1184 HydrophobicContact CG2-CG2 4.39Å
892	K	69.6	Low	82.3	Confident	138 Å²	138	58.3 Å²	58.3	60%	0.6	30%	0.297	S	S	*	.	S	Bend	trans	-85.9	-26.5	178.7	-58.6	-55.4	-179.4	-166.4	0	113.5	D888 H889 R890	D888-K892 PolarHBondContact O-NZ 2.76Å; H889-K892 VanDerWaalsContact O-CE 3.27Å; H889-K892 WeakPolarHBondContact O-CE 3.46Å; H889-K892 PolarHBondContact O-NZ 3Å; R890-K892 PolarHBondContact O-N 2.02Å
893	Y	62	Low	82.4	Confident	214 Å²	214	58.2 Å²	58.2	84%	0.839	30%	0.297	S	S	*	.	S	Bend	trans	-132.8	133.5	-178.4	-53.7	-76.8	0	0	0	108.7	I891	I891-Y893 WeakPolarHBondContact CG2-O 3.35Å
894	G	65.2	Low	82.4	Confident	50 Å²	50	54.5 Å²	54.5	52%	0.515	28%	0.281	S	S	.	.			trans	121.2	130.9	-172.7	0	0	0	0	0	111.1
895	L	74	Confident	82.3	Confident	139 Å²	139	55.4 Å²	55.4	73%	0.728	29%	0.285	S	S	*	.	S	Bend	trans	-84.2	-32.5	-177.3	-64.5	170.9	0	0	0	111.9	C873 I884	C873-L895 WeakPolarHBondContact SG-CB 3.49Å; C873-L895 PolarHBondContact SG-O 2.9Å; I884-L895 PolarHBondContact N-O 3.39Å
896	C	82.9	Confident	82.1	Confident	17 Å²	17	55.3 Å²	55.3	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.4	-174.2	-83.6	0	0	0	0	113.4	C873 N881 I882	C873-C896 WeakPolarHBondContact CA-SG 3.48Å; C873-C896 HydrophobicContact CB-CB 4.29Å; C873-C896 WeakPolarHBondContact CB-SG 3.08Å; C873-C896 WeakPolarHBondContact SG-CB 3.46Å; C873-C896 CovalentContact SG-SG 2Å; C873-C896 PolarHBondContact SG-SG 2.97Å; N881-C896 HydrophobicContact CB-CB 3.86Å; I882-C896 CarbonylContact O-C 3.59Å; I882-C896 WeakPolarHBondContact O-CA 3.31Å; I882-C896 WeakPolarHBondContact O-CB 3.37Å
897	M	81.9	Confident	81.8	Confident	4 Å²	4	50 Å²	50	2%	0.02	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.8	160.7	-171.8	-179.4	-61	0	0	108.9	N881 I882 I884 I891 L1186 D1187 T1190	N881-M897 WeakPolarHBondContact CA-O 3.41Å; N881-M897 WeakPolarHBondContact CB-O 3.17Å; I882-M897 HydrophobicContact CB-CB 4.3Å; I882-M897 HydrophobicContact CD1-CB 4.49Å; I882-M897 HydrophobicContact CD1-SD 4.44Å; I882-M897 PolarHBondContact N-O 3.08Å; I882-M897 PolarHBondContact O-N 2.91Å; I884-M897 HydrophobicContact CD1-CB 3.92Å; I891-M897 HydrophobicContact CD1-CE 4.18Å; M897-L1186 HydrophobicContact CG-CD2 3.82Å; M897-L1186 HydrophobicContact SD-CD2 4.2Å; M897-D1187 HydrophobicContact CE-CB 3.98Å; M897-D1187 HydrophobicContact SD-CB 4.35Å; M897-T1190 HydrophobicContact SD-CG2 4.18Å
898	E	82	Confident	81.7	Confident	28 Å²	28	43 Å²	43	13%	0.131	22%	0.218	C	C	.	.			trans	-62.2	137	-179	-178.5	-178.5	-146	0	0	111.8	K870 N881 E900 H1182	K870-E898 WeakPolarHBondContact CE-OE1 3.37Å; K870-E898 WeakPolarHBondContact CE-OE2 3.45Å; K870-E898 HydrophobicContact CG-CB 4.32Å; K870-E898 HydrophobicContact CG-CG 4.11Å; K870-E898 WeakPolarHBondContact CG-OE1 3.23Å; K870-E898 WeakPolarHBondContact CG-OE2 3.31Å; K870-E898 IonicContact NZ-OE2 2.8Å; N881-E898 WeakPolarHBondContact OD1-CA 3.41Å; E898-E900 WeakPolarHBondContact CG-OE1 3.29Å; E898-H1182 IonicContact OE2-CE1 4Å
899	F	88.1	Confident	81.2	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.018	22%	0.22	C	C	.	.			trans	-158	117.6	173.5	-174.4	-80.3	0	0	0	110.5	F880 N881 I882 Q1194 R1195 D1198	F880-F899 CarbonylContact C-O 3.6Å; F880-F899 HydrophobicContact CB-CD1 4.1Å; F880-F899 HydrophobicContact CD1-CD1 4.32Å; F880-F899 HydrophobicContact CD1-CE1 4.22Å; F880-F899 PolarHBondContact N-O 3.24Å; F880-F899 WeakPolarHBondContact O-CD1 3.25Å; N881-F899 PolarHBondContact OD1-N 3.35Å; N881-F899 PolarHBondContact OD1-O 3.4Å; I882-F899 HydrophobicContact CD1-CB 4.13Å; I882-F899 HydrophobicContact CD1-CD2 4.32Å; F899-Q1194 HydrophobicContact CD1-CG 3.86Å; F899-Q1194 HydrophobicContact CD2-CB 4.01Å; F899-Q1194 HydrophobicContact CD2-CG 3.75Å; F899-Q1194 HydrophobicContact CE1-CG 3.92Å; F899-Q1194 HydrophobicContact CE2-CB 3.8Å; F899-Q1194 HydrophobicContact CE2-CG 3.8Å; F899-Q1194 HydrophobicContact CG-CG 3.79Å; F899-Q1194 HydrophobicContact CZ-CB 4.17Å; F899-Q1194 HydrophobicContact CZ-CG 3.89Å; F899-R1195 HydrophobicContact CE2-CB 4.22Å; F899-R1195 HydrophobicContact CZ-CB 4.03Å; F899-D1198 HydrophobicContact CE1-CB 3.97Å; F899-D1198 HydrophobicContact CZ-CB 4.16Å
900	E	90.1	Very high	80.4	Confident	25 Å²	25	38.5 Å²	38.5	12%	0.117	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-92.9	141.1	171.7	-59.7	67.8	-146.2	0	0	110.9	A857 V860 E898 R1195	A857-E900 HydrophobicContact CB-CB 4.49Å; V860-E900 HydrophobicContact CG1-CG 4.25Å; E898-E900 WeakPolarHBondContact CG-OE1 3.29Å; E900-R1195 PolarHBondContact O-NH1 2.67Å; E900-R1195 PolarHBondContact O-NH2 2.71Å
901	R	93.6	Very high	79.2	Confident	8 Å²	8	37 Å²	37	3%	0.03	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-62	149.2	170.7	-64.7	-165.4	69.5	-172.2	6.4	111.2	D798 A857 P878 F880 D1198	D798-R901 PolarHBondContact O-NH1 2.95Å; D798-R901 VanDerWaalsContact O-NH1 3.14Å; D798-R901 PolarHBondContact O-NH2 3.44Å; A857-R901 WeakPolarHBondContact CB-O 3.06Å; A857-R901 PolarHBondContact N-O 3.06Å; P878-R901 PolarHBondContact O-N 3.35Å; F880-R901 HydrophobicContact CB-CG 3.77Å; R901-D1198 WeakPolarHBondContact CA-OD2 3.18Å; R901-D1198 WeakPolarHBondContact CG-OD1 3.18Å; R901-D1198 IonicContact CZ-OD1 3.18Å; R901-D1198 IonicContact NE-OD1 3.86Å; R901-D1198 PolarHBondContact NE-OD1 3Å; R901-D1198 IonicContact NH2-OD1 2.63Å
902	S	94	Very high	78	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-72.1	136.5	169.4	-71	0	0	0	0	110.7	T854 V855 R921 R1195 D1198 H1199	T854-S902 VanDerWaalsContact CG2-OG 3.29Å; T854-S902 WeakPolarHBondContact CG2-OG 3.24Å; V855-S902 CarbonylContact O-C 3.53Å; V855-S902 VanDerWaalsContact O-CA 3.23Å; V855-S902 WeakPolarHBondContact O-CA 3.06Å; V855-S902 WeakPolarHBondContact O-CB 3.44Å; S902-R921 PolarHBondContact O-NH2 3.13Å; S902-R1195 PolarHBondContact OG-NH1 3.4Å; S902-D1198 PolarHBondContact N-OD2 3.31Å; S902-H1199 PolarHBondContact OG-NE2 3.4Å
903	S	91.6	Very high	76.6	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.007	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-62.8	145.5	175.1	-72	0	0	0	0	110.4	E700 V855 A857	E700-S903 PolarHBondContact OE1-OG 3Å; V855-S903 PolarHBondContact O-N 2.94Å; A857-S903 WeakPolarHBondContact CA-OG 3.36Å
904	A	89.1	Confident	75.4	Confident	4 Å²	4	27.2 Å²	27.2	3%	0.033	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-95.9	162.7	178.7	0	0	0	0	0	111.7	R699 R921 E922	R699-A904 HydrophobicContact CG-CB 4.02Å; R699-A904 VanDerWaalsContact CG-O 3.3Å; R699-A904 WeakPolarHBondContact CG-O 3.37Å; A904-R921 HydrophobicContact CB-CG 3.55Å; A904-E922 CarbonylContact C-O 3.51Å; A904-E922 WeakPolarHBondContact CA-O 3.48Å; A904-E922 WeakPolarHBondContact CB-O 3.33Å
905	I	87.2	Confident	74.5	Confident	40 Å²	40	28.8 Å²	28.8	21%	0.205	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-78.3	147.1	168.3	-163.1	166.3	0	0	0	110.2	S908 E922 L924	I905-S908 WeakPolarHBondContact O-CB 3.42Å; I905-S908 PolarHBondContact O-N 3.08Å; I905-S908 PolarHBondContact O-OG 2.99Å; I905-E922 HydrophobicContact CG2-CB 4Å; I905-E922 PolarHBondContact N-O 2.91Å; I905-L924 HydrophobicContact CD1-CD1 4.19Å; I905-L924 HydrophobicContact CG1-CD1 4.31Å
906	C	82.9	Confident	73.2	Confident	17 Å²	17	29.5 Å²	29.5	12%	0.115	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	144.4	170.9	-73.9	0	0	0	0	112	C745 N746 S908	C745-C906 WeakPolarHBondContact CA-SG 3.36Å; C745-C906 HydrophobicContact CB-CB 4.06Å; C745-C906 WeakPolarHBondContact CB-SG 3.27Å; C745-C906 WeakPolarHBondContact SG-CA 3.24Å; C745-C906 WeakPolarHBondContact SG-CB 3.1Å; C745-C906 CovalentContact SG-SG 2.04Å; C745-C906 PolarHBondContact SG-SG 3.36Å; N746-C906 VanDerWaalsContact O-CB 3.24Å; N746-C906 WeakPolarHBondContact O-CB 3.32Å; C906-S908 VanDerWaalsContact C-N 3.32Å; C906-S908 PolarHBondContact O-N 3.27Å
907	G	75.2	Confident	71.6	Confident	24 Å²	24	37.7 Å²	37.7	25%	0.247	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	6.9	-175.2	0	0	0	0	0	116.2
908	S	80.7	Confident	70.5	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.042	22%	0.215	C	C	.	.			trans	-112.4	164.7	174.5	80.5	0	0	0	0	111.2	R699 I905 C906 H920 E922	R699-S908 PolarHBondContact NH1-O 3.12Å; R699-S908 PolarHBondContact NH2-O 3.27Å; I905-S908 WeakPolarHBondContact O-CB 3.42Å; I905-S908 PolarHBondContact O-N 3.08Å; I905-S908 PolarHBondContact O-OG 2.99Å; C906-S908 VanDerWaalsContact C-N 3.32Å; C906-S908 PolarHBondContact O-N 3.27Å; S908-H920 VanDerWaalsContact CB-O 3.26Å; S908-H920 WeakPolarHBondContact CB-O 3.32Å; S908-E922 PolarHBondContact OG-N 3.31Å
909	G	75	Confident	69.9	Low	5 Å²	5	43.9 Å²	43.9	5%	0.052	23%	0.227	C	C	.	.	S	Bend	trans	64.7	46.1	171.1	0	0	0	0	0	114.8	R699 Q919 H920 R921	R699-G909 PolarHBondContact NH2-O 3.46Å; G909-Q919 CarbonylContact C-O 3.48Å; G909-Q919 WeakPolarHBondContact CA-O 3.49Å; G909-Q919 PolarHBondContact N-O 2.98Å; G909-H920 PolarHBondContact N-O 3.37Å; G909-R921 VanDerWaalsContact CA-CA 3.41Å; G909-R921 VanDerWaalsContact CA-N 3.29Å
910	D	67.1	Low	69.6	Low	12 Å²	12	46.3 Å²	46.3	6%	0.064	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153	179.8	-158.4	-4.9	0	0	0	111.8	Y702 Q919	Y702-D910 WeakPolarHBondContact CE1-OD2 3.48Å; Y702-D910 PolarHBondContact OH-OD2 2.93Å; D910-Q919 PolarHBondContact N-O 2.97Å; D910-Q919 PolarHBondContact O-N 3.07Å; D910-Q919 VanDerWaalsContact O-N 3.09Å
911	T	56.3	Low	69.6	Low	27 Å²	27	45.3 Å²	45.3	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.6	174.7	60.6	0	0	0	0	108.7	F797 V918	F797-T911 HydrophobicContact CB-CG2 3.97Å; F797-T911 HydrophobicContact CD1-CG2 3.3Å; F797-T911 HydrophobicContact CD2-CG2 3.99Å; F797-T911 HydrophobicContact CE1-CG2 3.65Å; F797-T911 HydrophobicContact CE2-CG2 4.3Å; F797-T911 HydrophobicContact CG-CG2 3.49Å; F797-T911 VanDerWaalsContact CG-CG2 3.49Å; F797-T911 HydrophobicContact CZ-CG2 4.15Å; T911-V918 HydrophobicContact CG2-CG1 4.35Å
912	S	49.2	Very low	69.5	Low	9 Å²	9	46.3 Å²	46.3	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.6	174.8	162.4	0	0	0	0	109.7	L914 F915	S912-L914 PolarHBondContact O-N 3.29Å; S912-L914 WeakPolarHBondContact OG-CD1 3.47Å; S912-L914 PolarHBondContact OG-N 2.86Å; S912-L914 VanDerWaalsContact OG-N 3.11Å; S912-F915 PolarHBondContact O-N 2.89Å
913	V	39.4	Very low	69.5	Low	72 Å²	72	46.3 Å²	46.3	44%	0.436	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-13.7	171.9	178.2	0	0	0	0	111.4	P728 H729	P728-V913 HydrophobicContact CB-CG2 3.96Å; P728-V913 WeakPolarHBondContact O-CG2 3.32Å; H729-V913 WeakPolarHBondContact CD2-CG2 3.46Å
914	L	36.7	Very low	69.4	Low	79 Å²	79	46.5 Å²	46.5	41%	0.414	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-9.1	-173.2	-52.1	108.6	0	0	0	114.3	L731 S732 A733 S912 D916	L731-L914 WeakPolarHBondContact O-CD1 3.33Å; S732-L914 VanDerWaalsContact CA-CD1 3.42Å; A733-L914 HydrophobicContact CB-CB 3.7Å; A733-L914 HydrophobicContact CB-CD1 4.39Å; A733-L914 HydrophobicContact CB-CD2 3.59Å; A733-L914 HydrophobicContact CB-CG 4.02Å; S912-L914 PolarHBondContact O-N 3.29Å; S912-L914 WeakPolarHBondContact OG-CD1 3.47Å; S912-L914 PolarHBondContact OG-N 2.86Å; S912-L914 VanDerWaalsContact OG-N 3.11Å; L914-D916 VanDerWaalsContact C-N 3.33Å
915	F	47.9	Very low	69.5	Low	84 Å²	84	46.4 Å²	46.4	37%	0.368	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.3	163.9	-59	-59.5	0	0	0	112	V736 I747 S912 R917	V736-F915 HydrophobicContact CG1-CE2 4.02Å; V736-F915 HydrophobicContact CG1-CZ 3.94Å; I747-F915 HydrophobicContact CD1-CZ 4.41Å; S912-F915 PolarHBondContact O-N 2.89Å; F915-R917 WeakPolarHBondContact O-CB 3.28Å; F915-R917 WeakPolarHBondContact O-CG 3.35Å; F915-R917 PolarHBondContact O-N 3.26Å
916	D	45.4	Very low	69.7	Low	153 Å²	153	45.2 Å²	45.2	82%	0.818	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	15.8	-170.9	-114.7	-4.5	0	0	0	112.9	L914	L914-D916 VanDerWaalsContact C-N 3.33Å
917	R	50.4	Low	70.2	Confident	189 Å²	189	44.7 Å²	44.7	71%	0.713	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-154.7	137.9	-167	-64.9	-176	-175.9	-173.6	0.9	110.8	F915	F915-R917 WeakPolarHBondContact O-CB 3.28Å; F915-R917 WeakPolarHBondContact O-CG 3.35Å; F915-R917 PolarHBondContact O-N 3.26Å
918	V	58.4	Low	71.3	Confident	77 Å²	77	43.6 Å²	43.6	47%	0.467	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.4	168.7	176.8	0	0	0	0	108.8	F797 T911	F797-V918 HydrophobicContact CB-CG1 3.58Å; T911-V918 HydrophobicContact CG2-CG1 4.35Å
919	Q	69.2	Low	72	Confident	85 Å²	85	43.4 Å²	43.4	40%	0.397	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.9	172.7	-66.8	-67.5	-9	0	0	108.7	G909 D910	G909-Q919 CarbonylContact C-O 3.48Å; G909-Q919 WeakPolarHBondContact CA-O 3.49Å; G909-Q919 PolarHBondContact N-O 2.98Å; D910-Q919 PolarHBondContact N-O 2.97Å; D910-Q919 PolarHBondContact O-N 3.07Å; D910-Q919 VanDerWaalsContact O-N 3.09Å
920	H	82.7	Confident	73.1	Confident	56 Å²	56	43.2 Å²	43.2	26%	0.259	21%	0.214	S	C	.	.			trans	-70.2	151.4	179.5	-57.1	153.2	0	0	0	111.4	P791 Y793 G796 F797 S908 G909 E922	P791-H920 WeakPolarHBondContact CD-ND1 3.26Å; P791-H920 HydrophobicContact CG-CB 3.5Å; P791-H920 VanDerWaalsContact CG-ND1 3.27Å; P791-H920 WeakPolarHBondContact CG-ND1 3.42Å; Y793-H920 HydrophobicContact CD2-CB 4.35Å; Y793-H920 HydrophobicContact CE2-CB 4.2Å; G796-H920 PolarHBondContact O-CD2 3.39Å; G796-H920 PolarHBondContact O-NE2 2.95Å; F797-H920 CarbonylContact O-C 3.59Å; F797-H920 WeakPolarHBondContact O-CA 3.41Å; S908-H920 VanDerWaalsContact CB-O 3.26Å; S908-H920 WeakPolarHBondContact CB-O 3.32Å; G909-H920 PolarHBondContact N-O 3.37Å; H920-E922 PolarHBondContact O-N 2.69Å
921	R	89.2	Confident	74.6	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.011	21%	0.212	C	C	.	.			trans	-67.9	126.6	176.3	-179.2	-161.8	-179.8	92.9	5.8	109.7	E703 R787 Y793 F797 D798 S902 A904 G909	E703-R921 IonicContact OE1-CZ 3.48Å; E703-R921 IonicContact OE1-NH1 3.29Å; E703-R921 PolarHBondContact OE1-NH1 3.47Å; E703-R921 IonicContact OE1-NH2 3.6Å; E703-R921 IonicContact OE2-CZ 2.72Å; E703-R921 IonicContact OE2-NH1 3.42Å; E703-R921 PolarHBondContact OE2-NH1 2.83Å; E703-R921 IonicContact OE2-NH2 2.66Å; R787-R921 PolarHBondContact NH2-O 3.35Å; Y793-R921 HydrophobicContact CE1-CB 4.37Å; Y793-R921 HydrophobicContact CE2-CB 3.87Å; Y793-R921 WeakPolarHBondContact CE2-O 3.15Å; Y793-R921 WeakPolarHBondContact OH-CB 3.35Å; Y793-R921 PolarHBondContact OH-O 3.49Å; F797-R921 PolarHBondContact O-N 2.83Å; D798-R921 HydrophobicContact CB-CB 4.06Å; S902-R921 PolarHBondContact O-NH2 3.13Å; A904-R921 HydrophobicContact CB-CG 3.55Å; G909-R921 VanDerWaalsContact CA-CA 3.41Å; G909-R921 VanDerWaalsContact CA-N 3.29Å
922	E	92	Very high	76.6	Confident	30 Å²	30	41.7 Å²	41.7	14%	0.14	21%	0.205	C	C	.	.			trans	-121.2	133.1	-178.8	-64.2	-59.8	169	0	0	111.7	R787 A904 I905 S908 H920	R787-E922 IonicContact CZ-OE1 3.23Å; R787-E922 IonicContact CZ-OE2 3.54Å; R787-E922 IonicContact NE-OE1 3.46Å; R787-E922 PolarHBondContact NE-OE1 3.35Å; R787-E922 IonicContact NE-OE2 3.06Å; R787-E922 PolarHBondContact NE-OE2 3.05Å; R787-E922 IonicContact NH2-OE1 2.79Å; R787-E922 IonicContact NH2-OE2 3.93Å; R787-E922 PolarHBondContact NH2-OE2 3.03Å; A904-E922 CarbonylContact C-O 3.51Å; A904-E922 WeakPolarHBondContact CA-O 3.48Å; A904-E922 WeakPolarHBondContact CB-O 3.33Å; I905-E922 HydrophobicContact CG2-CB 4Å; I905-E922 PolarHBondContact N-O 2.91Å; S908-E922 PolarHBondContact OG-N 3.31Å; H920-E922 PolarHBondContact O-N 2.69Å
923	Q	93.1	Very high	79	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-85.6	150.9	-177.5	-66.6	77.5	25.4	0	0	112.2	S784 F785 R787 Y793 T854 N1097	S784-Q923 WeakPolarHBondContact CA-O 3.2Å; F785-Q923 HydrophobicContact CD2-CB 4.05Å; F785-Q923 WeakPolarHBondContact CD2-O 3.46Å; F785-Q923 HydrophobicContact CE2-CB 4.28Å; F785-Q923 PolarHBondContact N-O 2.88Å; R787-Q923 VanDerWaalsContact NH2-OE1 3.12Å; Y793-Q923 PolarHBondContact OH-NE2 3.23Å; Y793-Q923 VanDerWaalsContact OH-NE2 3.07Å; T854-Q923 HydrophobicContact CG2-CB 4.1Å; Q923-N1097 PolarHBondContact OE1-ND2 2.67Å
924	L	90	Very high	81.7	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.8	-178.2	-165.1	71.9	0	0	0	111.9	L782 F785 T854 V855 I905 V926	L782-L924 HydrophobicContact CD2-CD2 3.92Å; F785-L924 WeakPolarHBondContact CE2-O 3.27Å; T854-L924 WeakPolarHBondContact CA-O 3.35Å; V855-L924 HydrophobicContact CG2-CB 4.32Å; V855-L924 HydrophobicContact CG2-CD2 3.83Å; V855-L924 HydrophobicContact CG2-CG 4.46Å; I905-L924 HydrophobicContact CD1-CD1 4.19Å; I905-L924 HydrophobicContact CG1-CD1 4.31Å; L924-V926 HydrophobicContact CD2-CG1 4.23Å
925	N	92.3	Very high	84.5	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.011	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124	161.3	-169.3	17.8	0	0	0	109.2	L782 T783 F785 L851 T852 L853 L927	L782-N925 VanDerWaalsContact CA-O 3.29Å; L782-N925 WeakPolarHBondContact CA-O 3.24Å; L782-N925 PolarHBondContact N-O 3.16Å; T783-N925 PolarHBondContact N-O 2.96Å; T783-N925 PolarHBondContact O-N 2.88Å; F785-N925 HydrophobicContact CD1-CB 4.16Å; F785-N925 HydrophobicContact CE1-CB 3.63Å; F785-N925 HydrophobicContact CE2-CB 4.13Å; F785-N925 HydrophobicContact CZ-CB 3.61Å; L851-N925 PolarHBondContact O-ND2 3.42Å; T852-N925 WeakPolarHBondContact CA-OD1 3.14Å; L853-N925 PolarHBondContact N-OD1 3.48Å; L853-N925 WeakPolarHBondContact O-CA 3.42Å; L853-N925 PolarHBondContact O-OD1 3.22Å; N925-L927 PolarHBondContact ND2-O 2.03Å; N925-L927 PolarHBondContact OD1-N 3.3Å
926	V	90.6	Very high	86.9	Confident	16 Å²	16	30.5 Å²	30.5	10%	0.097	15%	0.146	C	C	.	.			trans	-91.1	-4.4	178.2	-54.3	0	0	0	0	114	A692 S781 L782 L853 V855 L924 S939	A692-V926 HydrophobicContact CB-CG1 3.85Å; S781-V926 VanDerWaalsContact CB-O 3.23Å; S781-V926 WeakPolarHBondContact CB-O 3.4Å; L782-V926 HydrophobicContact CD2-CB 4.11Å; L782-V926 HydrophobicContact CD2-CG1 3.85Å; L853-V926 HydrophobicContact CB-CG2 3.62Å; L853-V926 HydrophobicContact CD2-CG2 3.59Å; L853-V926 HydrophobicContact CG-CG2 3.59Å; L853-V926 PolarHBondContact O-N 2.93Å; V855-V926 HydrophobicContact CG2-CG1 3.05Å; L924-V926 HydrophobicContact CD2-CG1 4.23Å; V926-S939 WeakPolarHBondContact O-CB 3.45Å
927	L	94.1	Very high	89.4	Confident	6 Å²	6	23.2 Å²	23.2	3%	0.031	11%	0.108	C	C	.	.	S	Bend	trans	-100.5	158.8	176.2	-55.8	-173.8	0	0	0	111.3	S781 H849 L853 N925 S939	S781-L927 WeakPolarHBondContact CA-O 3.06Å; H849-L927 WeakPolarHBondContact O-CD1 3.45Å; L853-L927 HydrophobicContact CB-CD1 3.92Å; L853-L927 HydrophobicContact CB-CD2 4.32Å; L853-L927 HydrophobicContact CB-CG 3.73Å; N925-L927 PolarHBondContact ND2-O 2.03Å; N925-L927 PolarHBondContact OD1-N 3.3Å; L927-S939 WeakPolarHBondContact CA-OG 3.32Å
928	T	96.7	Very high	91.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.			trans	-61.2	152.6	164	81.6	0	0	0	0	108.7	Y766 D767 Y930 D932 S939	Y766-T928 WeakPolarHBondContact O-CG2 3.28Å; D767-T928 VanDerWaalsContact C-CG2 3.42Å; T928-Y930 VanDerWaalsContact C-N 3.3Å; T928-D932 VanDerWaalsContact OG1-CG 3.31Å; T928-D932 PolarHBondContact OG1-OD1 3.48Å; T928-D932 VanDerWaalsContact OG1-OD1 3.06Å; T928-D932 PolarHBondContact OG1-OD2 2.9Å; T928-S939 PolarHBondContact N-OG 3.26Å
929	S	97	Very high	93	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.014	5%	0.052	C	C	.	.	S	Bend	trans	-85.1	-5.1	175.2	-60.9	0	0	0	0	112.1	G779 L851 M1095 L1277	G779-S929 PolarHBondContact O-N 3.29Å; L851-S929 VanDerWaalsContact CD2-O 3.25Å; L851-S929 WeakPolarHBondContact CD2-O 3.44Å; S929-M1095 WeakPolarHBondContact O-CE 3.3Å; S929-M1095 PolarHBondContact OG-N 3.3Å; S929-L1277 WeakPolarHBondContact O-CD2 3.35Å
930	Y	98.2	Very high	93.8	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.008	4%	0.039	C	C	.	.	S	Bend	trans	-88.4	155	-172.4	-57.4	-72	0	0	0	111	G768 N771 W778 T928 D932 A1093 D1281	G768-Y930 WeakPolarHBondContact O-CE2 3.22Å; N771-Y930 HydrophobicContact CB-CE1 4.32Å; N771-Y930 HydrophobicContact CB-CE2 3.77Å; N771-Y930 WeakPolarHBondContact CB-OH 3.46Å; N771-Y930 WeakPolarHBondContact ND2-CE1 3.13Å; N771-Y930 WeakPolarHBondContact ND2-CE2 3.03Å; W778-Y930 PolarHBondContact O-OH 3.27Å; T928-Y930 VanDerWaalsContact C-N 3.3Å; Y930-D932 PolarHBondContact O-N 3.26Å; Y930-A1093 HydrophobicContact CD1-CB 4.42Å; Y930-A1093 HydrophobicContact CE1-CB 3.67Å; Y930-D1281 HydrophobicContact CD1-CB 3.83Å; Y930-D1281 HydrophobicContact CE1-CB 4.04Å
931	I	98.5	Very high	93.8	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.021	5%	0.047	C	C	.	.	S	Bend	trans	-79.3	81.6	163.1	-52.7	176.2	0	0	0	106.4	L847 L851 M1060 Q1061 T1064 F1065 F1274 L1277	L847-I931 HydrophobicContact CD1-CD1 4.08Å; L847-I931 HydrophobicContact CD1-CG1 3.98Å; L847-I931 HydrophobicContact CD1-CG2 3.93Å; L851-I931 HydrophobicContact CD2-CG1 4Å; I931-M1060 HydrophobicContact CG2-CB 4.08Å; I931-Q1061 HydrophobicContact CB-CG 3.89Å; I931-Q1061 HydrophobicContact CG2-CG 3.91Å; I931-Q1061 WeakPolarHBondContact O-CG 3.47Å; I931-Q1061 PolarHBondContact O-NE2 3.31Å; I931-T1064 HydrophobicContact CD1-CG2 3.97Å; I931-F1065 HydrophobicContact CD1-CD2 4.43Å; I931-F1065 HydrophobicContact CD1-CE2 3.77Å; I931-F1274 HydrophobicContact CD1-CE1 4.17Å; I931-L1277 HydrophobicContact CG1-CD1 4.47Å
932	D	98.2	Very high	93.3	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	6%	0.058	C	C	.	.	S	Bend	trans	-125.5	12.5	-173.2	68	6.3	0	0	0	113.6	D850 T928 Y930 S934	D850-D932 PolarHBondContact OD2-N 3Å; T928-D932 VanDerWaalsContact OG1-CG 3.31Å; T928-D932 PolarHBondContact OG1-OD1 3.48Å; T928-D932 VanDerWaalsContact OG1-OD1 3.06Å; T928-D932 PolarHBondContact OG1-OD2 2.9Å; Y930-D932 PolarHBondContact O-N 3.26Å; D932-S934 PolarHBondContact O-N 3.33Å; D932-S934 VanDerWaalsContact OD1-CB 3.28Å; D932-S934 WeakPolarHBondContact OD1-CB 3.42Å; D932-S934 PolarHBondContact OD1-N 2.68Å; D932-S934 VanDerWaalsContact OD1-N 3.1Å
933	A	98.4	Very high	92.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.			trans	61.7	29.4	-178.6	0	0	0	0	0	113.1	D850 S935 V936 Y937 V1056 M1060	D850-A933 WeakPolarHBondContact OD1-CA 3.49Å; D850-A933 PolarHBondContact OD1-N 3.13Å; D850-A933 WeakPolarHBondContact OD2-CA 3.23Å; D850-A933 PolarHBondContact OD2-N 3.37Å; A933-S935 PolarHBondContact O-N 2.77Å; A933-S935 VanDerWaalsContact O-N 3.17Å; A933-V936 HydrophobicContact CB-CB 4.42Å; A933-V936 HydrophobicContact CB-CG2 4.36Å; A933-V936 WeakPolarHBondContact O-CA 3.44Å; A933-V936 WeakPolarHBondContact O-CB 3.49Å; A933-V936 PolarHBondContact O-N 2.98Å; A933-Y937 HydrophobicContact CB-CD2 3.73Å; A933-Y937 HydrophobicContact CB-CE2 3.61Å; A933-Y937 WeakPolarHBondContact O-CD2 3.36Å; A933-Y937 PolarHBondContact O-N 3.3Å; A933-V1056 HydrophobicContact CB-CG1 4.02Å; A933-M1060 HydrophobicContact CB-CE 4.31Å; A933-M1060 HydrophobicContact CB-SD 3.46Å; A933-M1060 WeakPolarHBondContact CB-SD 3.37Å
934	S	97.2	Very high	92.6	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.007	6%	0.06	C	C	.	.	H	α-helix	trans	-54.6	-26.2	168.2	73.3	0	0	0	0	112.6	D850 D932 V936 Y937 G938 S939 G1008	D850-S934 PolarHBondContact O-OG 2.96Å; D850-S934 VanDerWaalsContact O-OG 3.1Å; D850-S934 WeakPolarHBondContact OD1-CA 3.43Å; D850-S934 WeakPolarHBondContact OD1-CB 3.49Å; D850-S934 PolarHBondContact OD1-N 3.36Å; D850-S934 PolarHBondContact OD1-OG 2.91Å; D932-S934 PolarHBondContact O-N 3.33Å; D932-S934 VanDerWaalsContact OD1-CB 3.28Å; D932-S934 WeakPolarHBondContact OD1-CB 3.42Å; D932-S934 PolarHBondContact OD1-N 2.68Å; D932-S934 VanDerWaalsContact OD1-N 3.1Å; S934-V936 PolarHBondContact O-N 3.24Å; S934-Y937 PolarHBondContact O-N 3.47Å; S934-G938 WeakPolarHBondContact O-CA 3.19Å; S934-G938 PolarHBondContact O-N 3Å; S934-S939 WeakPolarHBondContact CB-OG 3.44Å; S934-G1008 CarbonylContact O-C 3.54Å; S934-G1008 WeakPolarHBondContact O-CA 3.3Å
935	S	96	Very high	92.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.7	-17.6	170.5	71	0	0	0	0	114.2	H849 D850 A933 G1008 D1009 H1022	H849-S935 WeakPolarHBondContact O-CB 3.38Å; D850-S935 PolarHBondContact OD1-N 3.43Å; A933-S935 PolarHBondContact O-N 2.77Å; A933-S935 VanDerWaalsContact O-N 3.17Å; S935-G1008 WeakPolarHBondContact O-CA 3.43Å; S935-G1008 PolarHBondContact O-N 2.76Å; S935-G1008 VanDerWaalsContact O-N 3.09Å; S935-D1009 PolarHBondContact O-N 3.24Å; S935-H1022 PolarHBondContact O-CE1 2.99Å; S935-H1022 VanDerWaalsContact O-CE1 3.25Å; S935-H1022 PolarHBondContact O-ND1 2.03Å
936	V	97.9	Very high	91.9	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.042	7%	0.073	C	C	.	.	H	α-helix	trans	-103.2	-39.5	174.7	-176.4	0	0	0	0	111.1	F846 A933 S934 L957 G1008 W1025	F846-V936 HydrophobicContact CZ-CG2 4.09Å; A933-V936 HydrophobicContact CB-CB 4.42Å; A933-V936 HydrophobicContact CB-CG2 4.36Å; A933-V936 WeakPolarHBondContact O-CA 3.44Å; A933-V936 WeakPolarHBondContact O-CB 3.49Å; A933-V936 PolarHBondContact O-N 2.98Å; S934-V936 PolarHBondContact O-N 3.24Å; V936-L957 HydrophobicContact CG1-CD1 3.71Å; V936-G1008 PolarHBondContact O-N 2.69Å; V936-W1025 HydrophobicContact CG2-CB 3.75Å
937	Y	97	Very high	91.8	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-104.3	-7	-169.1	-59.7	-64.6	0	0	0	115.7	A933 S934 S944 L957 H1029 Y1049 R1053 V1056	A933-Y937 HydrophobicContact CB-CD2 3.73Å; A933-Y937 HydrophobicContact CB-CE2 3.61Å; A933-Y937 WeakPolarHBondContact O-CD2 3.36Å; A933-Y937 PolarHBondContact O-N 3.3Å; S934-Y937 PolarHBondContact O-N 3.47Å; Y937-S944 WeakPolarHBondContact O-CA 3.24Å; Y937-S944 VanDerWaalsContact O-CB 3.27Å; Y937-S944 WeakPolarHBondContact O-CB 3.42Å; Y937-L957 HydrophobicContact CD1-CD1 4.34Å; Y937-L957 HydrophobicContact CD1-CD2 4.19Å; Y937-L957 HydrophobicContact CE1-CD1 3.91Å; Y937-L957 HydrophobicContact CE1-CD2 4.3Å; Y937-L957 HydrophobicContact CE1-CG 4.39Å; Y937-H1029 AromaticContact CE1-CE1 3.8Å; Y937-H1029 AromaticContact CE1-ND1 3.46Å; Y937-H1029 WeakPolarHBondContact CE1-ND1 3.08Å; Y937-H1029 AromaticContact CZ-ND1 3.57Å; Y937-H1029 PolarHBondContact OH-ND1 2.73Å; Y937-Y1049 AromaticContact CD1-CE2 3.81Å; Y937-Y1049 HydrophobicContact CD1-CE2 3.81Å; Y937-Y1049 AromaticContact CD1-CZ 3.98Å; Y937-Y1049 WeakPolarHBondContact CD1-OH 3.37Å; Y937-Y1049 HydrophobicContact CE1-CE2 4.01Å; Y937-R1053 HydrophobicContact CD1-CB 4.46Å; Y937-R1053 HydrophobicContact CD1-CG 4.33Å; Y937-R1053 HydrophobicContact CD2-CB 4.36Å; Y937-R1053 HydrophobicContact CD2-CG 3.63Å; Y937-R1053 HydrophobicContact CE1-CB 4.07Å; Y937-R1053 HydrophobicContact CE1-CG 4.33Å; Y937-R1053 HydrophobicContact CE2-CB 3.95Å; Y937-R1053 HydrophobicContact CE2-CG 3.62Å; Y937-R1053 HydrophobicContact CG-CG 4.03Å; Y937-V1056 HydrophobicContact CE2-CB 4.33Å; Y937-V1056 HydrophobicContact CE2-CG1 4.07Å; Y937-V1056 WeakPolarHBondContact OH-CB 3.03Å; Y937-V1056 WeakPolarHBondContact OH-CG2 3.07Å
938	G	92.5	Very high	91.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.			trans	81.4	157.4	-174	0	0	0	0	0	113.3	S934 G1008	S934-G938 WeakPolarHBondContact O-CA 3.19Å; S934-G938 PolarHBondContact O-N 3Å; G938-G1008 VanDerWaalsContact N-CA 3.3Å
939	S	92.8	Very high	91.1	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	-109.3	1.9	177.4	-71.5	0	0	0	0	113.5	Y766 D767 S781 V926 L927 T928 S934	Y766-S939 WeakPolarHBondContact O-CA 3.42Å; D767-S939 WeakPolarHBondContact CA-O 3.16Å; S781-S939 PolarHBondContact OG-O 3.47Å; V926-S939 WeakPolarHBondContact O-CB 3.45Å; L927-S939 WeakPolarHBondContact CA-OG 3.32Å; T928-S939 PolarHBondContact N-OG 3.26Å; S934-S939 WeakPolarHBondContact CB-OG 3.44Å
940	E	85.1	Confident	90.4	Very high	23 Å²	23	18.8 Å²	18.8	11%	0.107	10%	0.1	C	C	.	.	S	Bend	trans	-126.6	153.6	176.3	-64.3	-171.5	-165.2	0	0	109.5	Y766 A942 D943 S944	Y766-E940 VanDerWaalsContact CD2-C 3.47Å; E940-A942 VanDerWaalsContact C-N 3.35Å; E940-A942 PolarHBondContact O-N 3.45Å; E940-D943 PolarHBondContact O-N 2.97Å; E940-S944 PolarHBondContact O-N 3.02Å
941	E	84.2	Confident	89.1	Confident	93 Å²	93	23.8 Å²	23.8	44%	0.435	12%	0.122	S	C	.	.	H	α-helix	trans	-60.7	-45.5	-178	-161.7	165.9	171.6	0	0	112	Y766 D943 S944 L945	Y766-E941 HydrophobicContact CD1-CB 4.11Å; Y766-E941 HydrophobicContact CD1-CG 4.05Å; Y766-E941 HydrophobicContact CD2-CB 4.19Å; Y766-E941 HydrophobicContact CE1-CB 3.61Å; Y766-E941 HydrophobicContact CE1-CG 3.54Å; Y766-E941 HydrophobicContact CE2-CB 3.74Å; Y766-E941 VanDerWaalsContact CE2-N 3.3Å; Y766-E941 HydrophobicContact CG-CB 4.38Å; Y766-E941 VanDerWaalsContact CZ-CB 3.42Å; Y766-E941 PolarHBondContact OH-OE2 3.26Å; E941-D943 VanDerWaalsContact C-N 3.3Å; E941-D943 PolarHBondContact O-N 2.84Å; E941-S944 PolarHBondContact O-N 2.93Å; E941-L945 HydrophobicContact CG-CD1 3.87Å; E941-L945 HydrophobicContact CG-CG 4.47Å; E941-L945 WeakPolarHBondContact O-CB 3.38Å; E941-L945 VanDerWaalsContact O-CG 3.31Å; E941-L945 WeakPolarHBondContact O-CG 3.46Å; E941-L945 PolarHBondContact O-N 2.75Å
942	A	78.2	Confident	88.1	Confident	30 Å²	30	24.2 Å²	24.2	25%	0.248	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-42.6	-179.6	0	0	0	0	0	111.2	E940 N946	E940-A942 VanDerWaalsContact C-N 3.35Å; E940-A942 PolarHBondContact O-N 3.45Å; A942-N946 WeakPolarHBondContact O-CB 3.38Å; A942-N946 PolarHBondContact O-N 3.45Å; A942-N946 PolarHBondContact O-ND2 2.88Å; A942-N946 VanDerWaalsContact O-ND2 3.07Å
943	D	81.5	Confident	87.2	Confident	23 Å²	23	29.1 Å²	29.1	12%	0.123	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-45.7	-179.8	-65.2	-15	0	0	0	111.2	E940 E941 L945 N946 L947 Y1010	E940-D943 PolarHBondContact O-N 2.97Å; E941-D943 VanDerWaalsContact C-N 3.3Å; E941-D943 PolarHBondContact O-N 2.84Å; D943-L945 PolarHBondContact O-N 3.48Å; D943-N946 PolarHBondContact O-N 3.24Å; D943-L947 WeakPolarHBondContact O-CD1 3.47Å; D943-L947 VanDerWaalsContact O-CG 3.28Å; D943-L947 WeakPolarHBondContact O-CG 3.43Å; D943-L947 PolarHBondContact O-N 2.98Å; D943-Y1010 PolarHBondContact OD1-OH 3.43Å; D943-Y1010 WeakPolarHBondContact OD2-CE2 3.43Å; D943-Y1010 PolarHBondContact OD2-OH 3.48Å
944	S	88	Confident	86.8	Confident	9 Å²	9	31.8 Å²	31.8	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-45.4	176.2	176.5	0	0	0	0	112.1	Y937 E940 E941 R948 Y1049	Y937-S944 WeakPolarHBondContact O-CA 3.24Å; Y937-S944 VanDerWaalsContact O-CB 3.27Å; Y937-S944 WeakPolarHBondContact O-CB 3.42Å; E940-S944 PolarHBondContact O-N 3.02Å; E941-S944 PolarHBondContact O-N 2.93Å; S944-R948 VanDerWaalsContact O-CD 3.24Å; S944-R948 WeakPolarHBondContact O-CD 3.37Å; S944-R948 WeakPolarHBondContact O-CG 3.23Å; S944-Y1049 PolarHBondContact OG-OH 2.96Å
945	L	86.8	Confident	86.5	Confident	28 Å²	28	31.9 Å²	31.9	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-69.9	-37.4	177.9	-66.3	172.7	0	0	0	112.1	F497 E941 D943 L947 R948 L950	F497-L945 HydrophobicContact CB-CD1 3.87Å; F497-L945 HydrophobicContact CD1-CB 4.14Å; F497-L945 HydrophobicContact CD1-CD1 3.3Å; F497-L945 HydrophobicContact CD1-CG 4.25Å; F497-L945 HydrophobicContact CD2-CD1 4.12Å; F497-L945 HydrophobicContact CE1-CB 3.64Å; F497-L945 HydrophobicContact CE1-CD1 3.74Å; F497-L945 HydrophobicContact CE1-CG 4.25Å; F497-L945 HydrophobicContact CE2-CD1 4.5Å; F497-L945 HydrophobicContact CG-CD1 3.49Å; F497-L945 VanDerWaalsContact CG-CD1 3.49Å; F497-L945 HydrophobicContact CZ-CB 3.92Å; F497-L945 HydrophobicContact CZ-CD1 4.31Å; E941-L945 HydrophobicContact CG-CD1 3.87Å; E941-L945 HydrophobicContact CG-CG 4.47Å; E941-L945 WeakPolarHBondContact O-CB 3.38Å; E941-L945 VanDerWaalsContact O-CG 3.31Å; E941-L945 WeakPolarHBondContact O-CG 3.46Å; E941-L945 PolarHBondContact O-N 2.75Å; D943-L945 PolarHBondContact O-N 3.48Å; L945-L947 VanDerWaalsContact C-N 3.32Å; L945-L947 PolarHBondContact O-N 3.27Å; L945-R948 PolarHBondContact O-N 2.91Å; L945-L950 HydrophobicContact CB-CD1 4.49Å; L945-L950 HydrophobicContact CD2-CD1 4.42Å
946	N	81	Confident	86.4	Confident	29 Å²	29	33.1 Å²	33.1	16%	0.155	17%	0.171	C	C	.	.	H	α-helix	trans	-67.9	-29.2	-179.9	-78.9	-24.3	0	0	0	113.6	A942 D943 K958 I976	A942-N946 WeakPolarHBondContact O-CB 3.38Å; A942-N946 PolarHBondContact O-N 3.45Å; A942-N946 PolarHBondContact O-ND2 2.88Å; A942-N946 VanDerWaalsContact O-ND2 3.07Å; D943-N946 PolarHBondContact O-N 3.24Å; N946-K958 VanDerWaalsContact O-CD 3.3Å; N946-K958 WeakPolarHBondContact O-CD 3.3Å; N946-K958 WeakPolarHBondContact O-CE 3.31Å; N946-K958 PolarHBondContact O-NZ 3.1Å; N946-I976 HydrophobicContact CB-CD1 3.98Å
947	L	89.7	Confident	86.3	Confident	14 Å²	14	33 Å²	33	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-83	-14.8	178.8	-69.6	165.2	0	0	0	113.4	D943 L945 L957 K958 M1006	D943-L947 WeakPolarHBondContact O-CD1 3.47Å; D943-L947 VanDerWaalsContact O-CG 3.28Å; D943-L947 WeakPolarHBondContact O-CG 3.43Å; D943-L947 PolarHBondContact O-N 2.98Å; L945-L947 VanDerWaalsContact C-N 3.32Å; L945-L947 PolarHBondContact O-N 3.27Å; L947-L957 HydrophobicContact CB-CD2 4.26Å; L947-L957 CarbonylContact O-C 3.33Å; L947-L957 WeakPolarHBondContact O-CA 3.5Å; L947-L957 WeakPolarHBondContact O-CD2 3.24Å; L947-K958 PolarHBondContact O-N 3.26Å; L947-M1006 HydrophobicContact CD2-CB 4.28Å
948	R	89.5	Confident	86	Confident	23 Å²	23	35.2 Å²	35.2	9%	0.087	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-88.5	140.5	-176.8	-72.2	167.4	62.8	172.2	1	112.4	S944 L945 L950 L957 K958 E1046 Y1049	S944-R948 VanDerWaalsContact O-CD 3.24Å; S944-R948 WeakPolarHBondContact O-CD 3.37Å; S944-R948 WeakPolarHBondContact O-CG 3.23Å; L945-R948 PolarHBondContact O-N 2.91Å; R948-L950 HydrophobicContact CB-CD2 3.72Å; R948-L950 HydrophobicContact CB-CG 4.14Å; R948-L950 PolarHBondContact O-N 3.29Å; R948-L950 VanDerWaalsContact O-N 3.08Å; R948-L957 HydrophobicContact CG-CD2 4.11Å; R948-K958 WeakPolarHBondContact O-CE 3.4Å; R948-K958 WeakPolarHBondContact O-CG 3.44Å; R948-E1046 IonicContact CZ-OE2 2.69Å; R948-E1046 IonicContact NH1-OE1 3.29Å; R948-E1046 IonicContact NH1-OE2 2.7Å; R948-E1046 PolarHBondContact NH1-OE2 2.93Å; R948-E1046 IonicContact NH2-OE2 3.05Å; R948-E1046 PolarHBondContact NH2-OE2 3.19Å; R948-Y1049 HydrophobicContact CG-CD2 4.02Å; R948-Y1049 HydrophobicContact CG-CE2 3.61Å
949	D	86	Confident	85.9	Confident	34 Å²	34	39.3 Å²	39.3	18%	0.182	20%	0.198	C	C	.	.			trans	-74.4	96.8	162.7	178.2	10.8	0	0	0	108.2	F951 S952 L956	D949-F951 VanDerWaalsContact C-N 3.29Å; D949-F951 WeakPolarHBondContact OD1-CA 3.23Å; D949-F951 WeakPolarHBondContact OD1-CB 3.43Å; D949-F951 PolarHBondContact OD1-N 3.1Å; D949-S952 VanDerWaalsContact CG-OG 3.29Å; D949-S952 PolarHBondContact OD1-N 2.73Å; D949-S952 VanDerWaalsContact OD1-N 3.1Å; D949-S952 VanDerWaalsContact OD2-CB 3.26Å; D949-S952 WeakPolarHBondContact OD2-CB 3.49Å; D949-S952 PolarHBondContact OD2-OG 2.96Å; D949-L956 HydrophobicContact CB-CB 4.14Å; D949-L956 PolarHBondContact N-O 3.42Å
950	L	81	Confident	85.4	Confident	68 Å²	68	41.2 Å²	41.2	36%	0.356	21%	0.208	S	C	.	.			trans	-87.5	-2.4	176.1	-57	179.5	0	0	0	112.1	L945 R948	L945-L950 HydrophobicContact CB-CD1 4.49Å; L945-L950 HydrophobicContact CD2-CD1 4.42Å; R948-L950 HydrophobicContact CB-CD2 3.72Å; R948-L950 HydrophobicContact CB-CG 4.14Å; R948-L950 PolarHBondContact O-N 3.29Å; R948-L950 VanDerWaalsContact O-N 3.08Å
951	F	72.7	Confident	84.9	Confident	107 Å²	107	44.1 Å²	44.1	47%	0.469	23%	0.227	S	C	.	.	S	Bend	trans	-85.6	-40.6	178.6	-61.3	-75.9	0	0	0	110.9	Y473 P474 L475 D949	Y473-F951 WeakPolarHBondContact CD2-O 3.42Å; Y473-F951 HydrophobicContact CE2-CB 4.05Å; Y473-F951 WeakPolarHBondContact CE2-O 3.07Å; P474-F951 HydrophobicContact CB-CD1 4.01Å; P474-F951 HydrophobicContact CB-CE1 4.18Å; L475-F951 HydrophobicContact CB-CD1 4.5Å; D949-F951 VanDerWaalsContact C-N 3.29Å; D949-F951 WeakPolarHBondContact OD1-CA 3.23Å; D949-F951 WeakPolarHBondContact OD1-CB 3.43Å; D949-F951 PolarHBondContact OD1-N 3.1Å
952	S	75.6	Confident	84.1	Confident	13 Å²	13	42.6 Å²	42.6	9%	0.091	22%	0.224	C	C	.	.	S	Bend	trans	-86.1	142.6	170.7	74.1	0	0	0	0	111.7	D949 H954	D949-S952 VanDerWaalsContact CG-OG 3.29Å; D949-S952 PolarHBondContact OD1-N 2.73Å; D949-S952 VanDerWaalsContact OD1-N 3.1Å; D949-S952 VanDerWaalsContact OD2-CB 3.26Å; D949-S952 WeakPolarHBondContact OD2-CB 3.49Å; D949-S952 PolarHBondContact OD2-OG 2.96Å; S952-H954 PolarHBondContact O-N 3.39Å; S952-H954 VanDerWaalsContact O-N 3.09Å
953	D	81.2	Confident	83.4	Confident	105 Å²	105	43.3 Å²	43.3	56%	0.561	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	33.8	172.8	-163.1	31.2	0	0	0	111.4	G1045	D953-G1045 WeakPolarHBondContact O-CA 3.48Å; D953-G1045 PolarHBondContact O-N 3Å; D953-G1045 WeakPolarHBondContact OD1-CA 3.04Å; D953-G1045 PolarHBondContact OD1-N 3.08Å
954	H	89.3	Confident	82.4	Confident	57 Å²	57	51.9 Å²	51.9	26%	0.264	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-3.2	-171.2	-59.6	161.4	0	0	0	113.4	F440 S952 L956 L1037 I1048	F440-H954 AromaticContact CZ-CE1 3.87Å; S952-H954 PolarHBondContact O-N 3.39Å; S952-H954 VanDerWaalsContact O-N 3.09Å; H954-L956 VanDerWaalsContact C-N 3.33Å; H954-L956 HydrophobicContact CB-CD1 4.11Å; H954-L956 HydrophobicContact CB-CG 3.92Å; H954-L956 PolarHBondContact O-N 2.93Å; H954-L1037 HydrophobicContact CB-CD2 4.19Å; H954-I1048 VanDerWaalsContact O-CG2 3.27Å; H954-I1048 WeakPolarHBondContact O-CG2 3.33Å
955	G	90.6	Very high	81.4	Confident	3 Å²	3	60.8 Å²	60.8	3%	0.031	30%	0.304	C	S	.	.			trans	65.4	32.9	178.7	0	0	0	0	0	114.1	H1029 G1045	G955-H1029 PolarHBondContact O-NE2 2.75Å; G955-G1045 WeakPolarHBondContact CA-O 3.36Å
956	L	94.5	Very high	80.8	Confident	25 Å²	25	62 Å²	62	13%	0.131	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-86.5	158.3	179.7	-59.5	174.5	0	0	0	111.7	D949 H954 N1030 A1033	D949-L956 HydrophobicContact CB-CB 4.14Å; D949-L956 PolarHBondContact N-O 3.42Å; H954-L956 VanDerWaalsContact C-N 3.33Å; H954-L956 HydrophobicContact CB-CD1 4.11Å; H954-L956 HydrophobicContact CB-CG 3.92Å; H954-L956 PolarHBondContact O-N 2.93Å; L956-N1030 HydrophobicContact CD2-CB 4.12Å; L956-A1033 HydrophobicContact CD2-CB 3.87Å
957	L	95.1	Very high	81.2	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.026	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-85.8	147.7	158.9	-66.5	174.4	0	0	0	109.9	V936 Y937 L947 R948 F959 M1026 H1029 N1030 Y1049	V936-L957 HydrophobicContact CG1-CD1 3.71Å; Y937-L957 HydrophobicContact CD1-CD1 4.34Å; Y937-L957 HydrophobicContact CD1-CD2 4.19Å; Y937-L957 HydrophobicContact CE1-CD1 3.91Å; Y937-L957 HydrophobicContact CE1-CD2 4.3Å; Y937-L957 HydrophobicContact CE1-CG 4.39Å; L947-L957 HydrophobicContact CB-CD2 4.26Å; L947-L957 CarbonylContact O-C 3.33Å; L947-L957 WeakPolarHBondContact O-CA 3.5Å; L947-L957 WeakPolarHBondContact O-CD2 3.24Å; R948-L957 HydrophobicContact CG-CD2 4.11Å; L957-F959 WeakPolarHBondContact O-CD1 3.3Å; L957-M1026 HydrophobicContact CB-CG 4.18Å; L957-M1026 HydrophobicContact CD1-CG 4.29Å; L957-H1029 HydrophobicContact CD1-CB 4.06Å; L957-H1029 VanDerWaalsContact CG-CD2 3.49Å; L957-H1029 WeakPolarHBondContact CG-CD2 3.42Å; L957-N1030 PolarHBondContact N-OD1 3.36Å; L957-N1030 PolarHBondContact O-ND2 2.91Å; L957-N1030 PolarHBondContact O-OD1 3.39Å; L957-Y1049 HydrophobicContact CD2-CE2 4.09Å
958	K	89.9	Confident	81.2	Confident	47 Å²	47	65.4 Å²	65.4	20%	0.204	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-58.8	148.7	172.7	-64.7	-175.6	-172.4	166.8	0	110.5	N946 L947 R948 P971	N946-K958 VanDerWaalsContact O-CD 3.3Å; N946-K958 WeakPolarHBondContact O-CD 3.3Å; N946-K958 WeakPolarHBondContact O-CE 3.31Å; N946-K958 PolarHBondContact O-NZ 3.1Å; L947-K958 PolarHBondContact O-N 3.26Å; R948-K958 WeakPolarHBondContact O-CE 3.4Å; R948-K958 WeakPolarHBondContact O-CG 3.44Å; K958-P971 HydrophobicContact CB-CB 4.17Å; K958-P971 HydrophobicContact CB-CG 4.04Å; K958-P971 WeakPolarHBondContact O-CD 3.33Å
959	F	90.3	Very high	81.3	Confident	87 Å²	87	64.4 Å²	64.4	38%	0.382	32%	0.322	S	S	.	.			trans	-152	159	178.6	61.2	-96.4	0	0	0	110.2	L957 T961 P968 Y969 M1026 N1030	L957-F959 WeakPolarHBondContact O-CD1 3.3Å; F959-T961 HydrophobicContact CD2-CG2 4.3Å; F959-T961 HydrophobicContact CE2-CG2 4.35Å; F959-P968 HydrophobicContact CB-CB 3.69Å; F959-P968 HydrophobicContact CD2-CB 3.45Å; F959-P968 VanDerWaalsContact CD2-CB 3.45Å; F959-P968 HydrophobicContact CD2-CG 3.69Å; F959-P968 HydrophobicContact CE2-CB 4.28Å; F959-P968 HydrophobicContact CE2-CG 4.02Å; F959-P968 HydrophobicContact CG-CB 3.74Å; F959-P968 HydrophobicContact CG-CG 4.2Å; F959-Y969 CarbonylContact C-O 3.54Å; F959-Y969 VanDerWaalsContact CA-O 3.28Å; F959-Y969 WeakPolarHBondContact CA-O 3.37Å; F959-Y969 WeakPolarHBondContact CB-O 3.37Å; F959-M1026 HydrophobicContact CB-CE 4.07Å; F959-M1026 HydrophobicContact CB-SD 4Å; F959-N1030 WeakPolarHBondContact CD1-ND2 3.29Å
960	D	82.8	Confident	81.6	Confident	43 Å²	43	63 Å²	63	23%	0.23	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-117.7	156	171.1	-88	-51.4	0	0	0	111.2	P968 Y969 P971 F972	D960-P968 CarbonylContact O-C 3.5Å; D960-P968 VanDerWaalsContact O-CA 3.31Å; D960-P968 WeakPolarHBondContact O-CA 3.32Å; D960-Y969 PolarHBondContact N-O 3.48Å; D960-Y969 PolarHBondContact O-N 3.41Å; D960-P971 VanDerWaalsContact OD2-CA 3.26Å; D960-P971 WeakPolarHBondContact OD2-CA 3.49Å; D960-F972 HydrophobicContact CB-CD2 4.21Å; D960-F972 HydrophobicContact CB-CE2 4.26Å; D960-F972 WeakPolarHBondContact OD2-CD2 3.38Å; D960-F972 PolarHBondContact OD2-N 2.66Å
961	T	75.9	Confident	82	Confident	84 Å²	84	60.1 Å²	60.1	52%	0.515	30%	0.3	S	S	.	.			trans	-122.7	122	173.8	58.1	0	0	0	0	109.7	F959 P968	F959-T961 HydrophobicContact CD2-CG2 4.3Å; F959-T961 HydrophobicContact CE2-CG2 4.35Å; T961-P968 HydrophobicContact CG2-CB 4.12Å; T961-P968 HydrophobicContact CG2-CG 3.97Å
962	T	66.8	Low	82.4	Confident	60 Å²	60	56.9 Å²	56.9	37%	0.368	29%	0.286	S	S	.	.	S	Bend	trans	-94.8	-15.2	176.4	55.7	0	0	0	0	112.6	Y969 F972 L1143	T962-Y969 HydrophobicContact CG2-CD2 4.3Å; T962-Y969 VanDerWaalsContact OG1-CE2 3.28Å; T962-Y969 WeakPolarHBondContact OG1-CE2 3.32Å; T962-F972 HydrophobicContact CG2-CZ 4.45Å; T962-L1143 HydrophobicContact CG2-CD1 4.33Å; T962-L1143 HydrophobicContact CG2-CD2 4Å
963	S	63.1	Low	81.9	Confident	46 Å²	46	56.9 Å²	56.9	32%	0.322	29%	0.285	S	S	.	.			trans	-156.2	142.8	-178.7	173.3	0	0	0	0	110.1	K965 Q966	S963-K965 PolarHBondContact O-N 3.07Å; S963-K965 PolarHBondContact OG-N 3.01Å; S963-Q966 PolarHBondContact O-N 2.93Å
964	H	60.8	Low	80.6	Confident	202 Å²	202	53.6 Å²	53.6	94%	0.935	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.3	172.8	-64.2	-65	0	0	0	113.8
965	K	66.6	Low	78.5	Confident	196 Å²	196	55.3 Å²	55.3	85%	0.852	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-21.1	-179.6	-65.1	-172.9	178.2	-177	0	113.9	S963	S963-K965 PolarHBondContact O-N 3.07Å; S963-K965 PolarHBondContact OG-N 3.01Å
966	Q	75.1	Confident	76.2	Confident	54 Å²	54	56.3 Å²	56.3	25%	0.252	29%	0.285	S	S	.	.	S	Bend	trans	-104.8	147.6	-177.4	-69.5	179.8	-29.2	0	0	109.8	S963 Y969	S963-Q966 PolarHBondContact O-N 2.93Å; Q966-Y969 HydrophobicContact CB-CE2 4.39Å; Q966-Y969 VanDerWaalsContact CD-OH 3.24Å; Q966-Y969 PolarHBondContact NE2-OH 3.04Å; Q966-Y969 PolarHBondContact OE1-OH 3.25Å
967	K	88.3	Confident	73.2	Confident	77 Å²	77	60.7 Å²	60.7	34%	0.335	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-63.7	157	169.9	-68	173.1	179.5	172.6	0	109.8	R1027 H1310 G1312 D1313	K967-R1027 VanDerWaalsContact CB-CZ 3.45Å; K967-R1027 PolarHBondContact O-NH2 2.93Å; K967-H1310 PolarHBondContact NZ-O 3.13Å; K967-G1312 WeakPolarHBondContact CE-O 3.34Å; K967-G1312 PolarHBondContact NZ-O 2.84Å; K967-D1313 WeakPolarHBondContact CB-OD1 3.46Å; K967-D1313 WeakPolarHBondContact CG-OD1 3.31Å; K967-D1313 PolarHBondContact N-OD1 3.3Å
968	P	90.6	Very high	70	Confident	38 Å²	38	63.2 Å²	63.2	25%	0.247	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-57.4	152.9	-176.3	-25.5	34.1	0	0	0	114.8	F959 D960 T961 R1027	F959-P968 HydrophobicContact CB-CB 3.69Å; F959-P968 HydrophobicContact CD2-CB 3.45Å; F959-P968 VanDerWaalsContact CD2-CB 3.45Å; F959-P968 HydrophobicContact CD2-CG 3.69Å; F959-P968 HydrophobicContact CE2-CB 4.28Å; F959-P968 HydrophobicContact CE2-CG 4.02Å; F959-P968 HydrophobicContact CG-CB 3.74Å; F959-P968 HydrophobicContact CG-CG 4.2Å; D960-P968 CarbonylContact O-C 3.5Å; D960-P968 VanDerWaalsContact O-CA 3.31Å; D960-P968 WeakPolarHBondContact O-CA 3.32Å; T961-P968 HydrophobicContact CG2-CB 4.12Å; T961-P968 HydrophobicContact CG2-CG 3.97Å; P968-R1027 PolarHBondContact O-NE 2.88Å; P968-R1027 PolarHBondContact O-NH2 3.37Å
969	Y	92	Very high	67	Low	1 Å²	1	68 Å²	68	0%	0.004	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-102.7	170	170.5	-65.8	-83.9	0	0	0	110.4	F959 D960 T962 Q966 T1023 M1026 V1142 L1143 G1147 I1148	F959-Y969 CarbonylContact C-O 3.54Å; F959-Y969 VanDerWaalsContact CA-O 3.28Å; F959-Y969 WeakPolarHBondContact CA-O 3.37Å; F959-Y969 WeakPolarHBondContact CB-O 3.37Å; D960-Y969 PolarHBondContact N-O 3.48Å; D960-Y969 PolarHBondContact O-N 3.41Å; T962-Y969 HydrophobicContact CG2-CD2 4.3Å; T962-Y969 VanDerWaalsContact OG1-CE2 3.28Å; T962-Y969 WeakPolarHBondContact OG1-CE2 3.32Å; Q966-Y969 HydrophobicContact CB-CE2 4.39Å; Q966-Y969 VanDerWaalsContact CD-OH 3.24Å; Q966-Y969 PolarHBondContact NE2-OH 3.04Å; Q966-Y969 PolarHBondContact OE1-OH 3.25Å; Y969-T1023 HydrophobicContact CD1-CG2 3.97Å; Y969-M1026 VanDerWaalsContact O-CE 3.23Å; Y969-M1026 WeakPolarHBondContact O-CE 3.39Å; Y969-V1142 HydrophobicContact CE1-CG1 4.03Å; Y969-L1143 HydrophobicContact CD1-CD2 3.58Å; Y969-L1143 HydrophobicContact CD2-CD2 3.6Å; Y969-L1143 HydrophobicContact CE1-CD2 3.79Å; Y969-L1143 HydrophobicContact CE2-CD2 3.82Å; Y969-L1143 HydrophobicContact CG-CD2 3.48Å; Y969-L1143 VanDerWaalsContact CG-CD2 3.48Å; Y969-G1147 VanDerWaalsContact OH-CA 3.28Å; Y969-G1147 WeakPolarHBondContact OH-CA 3.23Å; Y969-I1148 HydrophobicContact CE1-CG2 4.14Å
970	L	92.3	Very high	64.1	Low	6 Å²	6	67 Å²	67	3%	0.031	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-55.1	154.3	167.9	-68.5	165.9	0	0	0	110.8	L1005 M1006 A1007 L1019 H1022 M1026	L970-L1005 HydrophobicContact CB-CB 3.89Å; L970-L1005 HydrophobicContact CB-CD1 4.49Å; L970-L1005 HydrophobicContact CD1-CB 4.44Å; L970-L1005 WeakPolarHBondContact O-CD2 3.42Å; L970-M1006 WeakPolarHBondContact CB-O 3.31Å; L970-M1006 WeakPolarHBondContact CD2-O 3.45Å; L970-A1007 HydrophobicContact CD1-CB 4.26Å; L970-A1007 HydrophobicContact CD2-CB 4.34Å; L970-L1019 HydrophobicContact CD1-CD1 3.79Å; L970-H1022 HydrophobicContact CD1-CB 3.67Å; L970-M1026 HydrophobicContact CD2-CB 3.63Å; L970-M1026 HydrophobicContact CD2-CE 4.44Å; L970-M1026 HydrophobicContact CD2-CG 4Å
971	P	88.2	Confident	61.6	Low	7 Å²	7	73 Å²	73	5%	0.045	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-70.6	147.3	180	29.3	-34.5	0	0	0	111.9	K958 D960 L1005 M1006	K958-P971 HydrophobicContact CB-CB 4.17Å; K958-P971 HydrophobicContact CB-CG 4.04Å; K958-P971 WeakPolarHBondContact O-CD 3.33Å; D960-P971 VanDerWaalsContact OD2-CA 3.26Å; D960-P971 WeakPolarHBondContact OD2-CA 3.49Å; P971-L1005 CarbonylContact O-C 3.55Å; P971-L1005 WeakPolarHBondContact O-CA 3.19Å; P971-M1006 HydrophobicContact CB-CE 4.35Å; P971-M1006 HydrophobicContact CG-CB 4.41Å; P971-M1006 HydrophobicContact CG-CE 4.17Å; P971-M1006 PolarHBondContact O-N 3.23Å
972	F	80.5	Confident	59.4	Low	39 Å²	39	71.7 Å²	71.7	17%	0.171	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-70.7	152.1	170.9	-68.7	-76	0	0	0	111.5	D960 T962 S974 V1002 R1003 L1005 M1006 L1143	D960-F972 HydrophobicContact CB-CD2 4.21Å; D960-F972 HydrophobicContact CB-CE2 4.26Å; D960-F972 WeakPolarHBondContact OD2-CD2 3.38Å; D960-F972 PolarHBondContact OD2-N 2.66Å; T962-F972 HydrophobicContact CG2-CZ 4.45Å; F972-S974 PolarHBondContact O-N 2.89Å; F972-V1002 HydrophobicContact CE1-CB 4.13Å; F972-R1003 HydrophobicContact CD1-CB 4.27Å; F972-L1005 HydrophobicContact CD1-CD2 3.44Å; F972-L1005 VanDerWaalsContact CD1-CD2 3.44Å; F972-L1005 HydrophobicContact CD2-CD2 4.48Å; F972-L1005 HydrophobicContact CE1-CD2 3.48Å; F972-L1005 VanDerWaalsContact CE1-CD2 3.48Å; F972-L1005 HydrophobicContact CE2-CD2 4.5Å; F972-L1005 HydrophobicContact CG-CD2 3.98Å; F972-L1005 HydrophobicContact CZ-CD2 4.04Å; F972-M1006 VanDerWaalsContact O-CE 3.26Å; F972-M1006 WeakPolarHBondContact O-CE 3.36Å; F972-L1143 HydrophobicContact CE1-CD1 3.76Å; F972-L1143 HydrophobicContact CZ-CD1 3.62Å
973	N	66.9	Low	57.7	Low	13 Å²	13	75.9 Å²	75.9	7%	0.07	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	11.6	176	-159.6	-0.2	0	0	0	115.1	L988 M990 C1004 M1006	N973-L988 PolarHBondContact ND2-O 3.06Å; N973-L988 VanDerWaalsContact ND2-O 3.15Å; N973-M990 WeakPolarHBondContact ND2-CA 3.32Å; N973-M990 WeakPolarHBondContact ND2-CB 3.4Å; N973-M990 PolarHBondContact ND2-N 2.67Å; N973-M990 PolarHBondContact ND2-O 3.19Å; N973-C1004 PolarHBondContact N-O 2.67Å; N973-C1004 VanDerWaalsContact N-O 3.17Å; N973-M1006 HydrophobicContact CB-CG 3.89Å; N973-M1006 HydrophobicContact CB-SD 3.93Å; N973-M1006 PolarHBondContact OD1-SD 3.38Å
974	S	53.6	Low	56.2	Low	35 Å²	35	81.4 Å²	81.4	25%	0.245	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-31.6	179.6	-38.3	0	0	0	0	113.4	F972 I976 R1003	F972-S974 PolarHBondContact O-N 2.89Å; S974-I976 PolarHBondContact O-N 3.39Å; S974-R1003 WeakPolarHBondContact OG-CD 3.22Å; S974-R1003 PolarHBondContact OG-NH1 3.34Å
975	D	45.4	Very low	54.9	Low	94 Å²	94	74 Å²	74	50%	0.503	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	14.7	-155.4	-57.4	-52.9	0	0	0	113.6
976	I	41.4	Very low	53.3	Low	23 Å²	23	74 Å²	74	12%	0.118	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	1.1	178.4	-44.2	-179.9	0	0	0	111.5	N946 S974 G978 N987 M1006	N946-I976 HydrophobicContact CB-CD1 3.98Å; S974-I976 PolarHBondContact O-N 3.39Å; I976-G978 PolarHBondContact O-N 3.01Å; I976-N987 WeakPolarHBondContact CB-ND2 3.19Å; I976-N987 WeakPolarHBondContact CG2-ND2 2.94Å; I976-N987 PolarHBondContact O-ND2 3.45Å; I976-M1006 HydrophobicContact CD1-CE 3.37Å; I976-M1006 HydrophobicContact CD1-SD 3.45Å; I976-M1006 WeakPolarHBondContact CD1-SD 3.05Å; I976-M1006 HydrophobicContact CG1-CE 3.81Å; I976-M1006 HydrophobicContact CG1-SD 4.37Å
977	I	32.2	Very low	51.8	Low	118 Å²	118	73.7 Å²	73.7	61%	0.605	39%	0.387	S	S	*	.			trans	-92.9	34	179.2	-42.6	-177.7	0	0	0	111.7
978	G	28	Very low	50	Low	57 Å²	57	71.7 Å²	71.7	59%	0.588	38%	0.38	S	S	*	.	S	Bend	trans	-106.7	108.4	167.6	0	0	0	0	0	110.8	I976 A980	I976-G978 PolarHBondContact O-N 3.01Å; G978-A980 PolarHBondContact O-N 3.49Å
979	E	26.8	Very low	48.1	Very low	147 Å²	147	72.8 Å²	72.8	69%	0.687	39%	0.387	S	S	*	.	S	Bend	trans	79.6	-14.5	159.3	-56.9	-167.8	162.2	0	0	121.8	S477 K981	S477-E979 WeakPolarHBondContact CB-OE2 3.07Å; S477-E979 PolarHBondContact OG-OE2 3.37Å; E979-K981 PolarHBondContact O-N 2.96Å; E979-K981 VanDerWaalsContact O-N 3.16Å
980	A	29.2	Very low	46.7	Very low	68 Å²	68	73.2 Å²	73.2	56%	0.562	39%	0.389	S	S	*	.			trans	-88.3	82.2	175.3	0	0	0	0	0	113.7	G978 S982	G978-A980 PolarHBondContact O-N 3.49Å; A980-S982 PolarHBondContact O-N 2.88Å
981	K	29.9	Very low	45.5	Very low	169 Å²	169	73.9 Å²	73.9	74%	0.735	39%	0.392	S	S	*	.			trans	-69.1	22.9	175.9	-77.6	-175.1	171.7	-175.2	0	115.4	T229 E979 L983	T229-K981 PolarHBondContact O-NZ 3.18Å; E979-K981 PolarHBondContact O-N 2.96Å; E979-K981 VanDerWaalsContact O-N 3.16Å; K981-L983 PolarHBondContact O-N 3.16Å
982	S	30.1	Very low	44.9	Very low	55 Å²	55	73.6 Å²	73.6	39%	0.385	39%	0.391	S	S	.	.			trans	-70.2	123.6	175.1	166.1	0	0	0	0	110.1	A980 F984 C985	A980-S982 PolarHBondContact O-N 2.88Å; S982-F984 PolarHBondContact O-N 3.45Å; S982-F984 PolarHBondContact OG-N 2.81Å; S982-C985 PolarHBondContact O-N 3.39Å
983	L	30.5	Very low	44.5	Very low	149 Å²	149	75.4 Å²	75.4	78%	0.78	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.6	177.9	-158.2	75.7	0	0	0	113.2	K981	K981-L983 PolarHBondContact O-N 3.16Å
984	F	31.5	Very low	44.4	Very low	162 Å²	162	77.1 Å²	77.1	71%	0.711	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-15.7	177.1	-78.1	-90.9	0	0	0	114	S982	S982-F984 PolarHBondContact O-N 3.45Å; S982-F984 PolarHBondContact OG-N 2.81Å
985	C	33.1	Very low	44.8	Very low	46 Å²	46	78.4 Å²	78.4	31%	0.311	41%	0.406	S	S	.	.			trans	-103.3	36.8	179.8	-59.2	0	0	0	0	112.1	S982 N987	S982-C985 PolarHBondContact O-N 3.39Å; C985-N987 PolarHBondContact O-N 3Å
986	R	34	Very low	45.3	Very low	197 Å²	197	78.8 Å²	78.8	74%	0.743	42%	0.416	S	S	*	.			trans	-66.3	81.8	160.2	-78.1	-167.2	-173.4	-155.4	2.4	107.1	L988	R986-L988 PolarHBondContact O-N 3.34Å; R986-L988 VanDerWaalsContact O-N 3.11Å
987	N	44.2	Very low	45.9	Very low	47 Å²	47	82 Å²	82	25%	0.251	44%	0.44	S	S	.	.			trans	-33.9	118.5	168.1	-70.3	-35.8	0	0	0	107.3	I976 C985 P989	I976-N987 WeakPolarHBondContact CB-ND2 3.19Å; I976-N987 WeakPolarHBondContact CG2-ND2 2.94Å; I976-N987 PolarHBondContact O-ND2 3.45Å; C985-N987 PolarHBondContact O-N 3Å; N987-P989 WeakPolarHBondContact O-CD 3.4Å
988	L	49.1	Very low	47.1	Very low	35 Å²	35	80.1 Å²	80.1	18%	0.183	43%	0.434	C	S	.	.			trans	-71.9	101.1	179.6	-65.1	167.3	0	0	0	105.9	Y671 Y687 N973 R986 M990	Y671-L988 HydrophobicContact CD2-CD2 4.32Å; Y671-L988 VanDerWaalsContact CE1-CA 3.44Å; Y671-L988 HydrophobicContact CE1-CB 3.47Å; Y671-L988 VanDerWaalsContact CE1-CB 3.47Å; Y671-L988 HydrophobicContact CE1-CD2 3.68Å; Y671-L988 HydrophobicContact CE1-CG 4.11Å; Y671-L988 HydrophobicContact CE2-CD2 3.42Å; Y671-L988 VanDerWaalsContact CE2-CD2 3.42Å; Y671-L988 VanDerWaalsContact OH-CB 3.26Å; Y671-L988 WeakPolarHBondContact OH-CB 3.24Å; Y671-L988 WeakPolarHBondContact OH-CD2 3.19Å; Y671-L988 WeakPolarHBondContact OH-CG 3.33Å; Y687-L988 HydrophobicContact CD1-CD1 4.13Å; Y687-L988 HydrophobicContact CD1-CD2 4.35Å; N973-L988 PolarHBondContact ND2-O 3.06Å; N973-L988 VanDerWaalsContact ND2-O 3.15Å; R986-L988 PolarHBondContact O-N 3.34Å; R986-L988 VanDerWaalsContact O-N 3.11Å; L988-M990 VanDerWaalsContact C-N 3.27Å; L988-M990 PolarHBondContact O-N 2.86Å
989	P	52	Low	48.1	Very low	60 Å²	60	82.3 Å²	82.3	39%	0.39	44%	0.438	S	S	.	.			trans	-69.1	92.6	177.8	29.9	-35.7	0	0	0	108.5	Y671 N987 D991	Y671-P989 HydrophobicContact CD1-CG 4.05Å; N987-P989 WeakPolarHBondContact O-CD 3.4Å; P989-D991 PolarHBondContact O-N 2.87Å
990	M	62	Low	49.8	Very low	11 Å²	11	81.7 Å²	81.7	5%	0.054	44%	0.435	C	S	.	.			trans	-56.5	106	156.4	-60.4	-172.9	-66.4	0	0	107.3	L684 I685 N973 L988 C1004 Y1010	L684-M990 HydrophobicContact CD2-CB 4.38Å; L684-M990 HydrophobicContact CG-CG 4.39Å; I685-M990 HydrophobicContact CB-SD 4.29Å; I685-M990 HydrophobicContact CD1-SD 4.46Å; I685-M990 HydrophobicContact CG1-CG 4.23Å; I685-M990 HydrophobicContact CG1-SD 3.4Å; I685-M990 WeakPolarHBondContact CG1-SD 3.49Å; N973-M990 WeakPolarHBondContact ND2-CA 3.32Å; N973-M990 WeakPolarHBondContact ND2-CB 3.4Å; N973-M990 PolarHBondContact ND2-N 2.67Å; N973-M990 PolarHBondContact ND2-O 3.19Å; L988-M990 VanDerWaalsContact C-N 3.27Å; L988-M990 PolarHBondContact O-N 2.86Å; M990-C1004 HydrophobicContact CB-CB 4.05Å; M990-Y1010 HydrophobicContact CE-CD1 3.73Å; M990-Y1010 HydrophobicContact CE-CE1 4.5Å; M990-Y1010 HydrophobicContact SD-CD1 3.9Å
991	D	67	Low	51.6	Low	19 Å²	19	79.9 Å²	79.9	10%	0.102	42%	0.418	C	S	.	.			trans	-114.9	101	-178.3	-169	0.2	0	0	0	109.2	L681 P989 R993	L681-D991 WeakPolarHBondContact CD2-O 3.17Å; P989-D991 PolarHBondContact O-N 2.87Å; D991-R993 VanDerWaalsContact CG-NE 3.33Å; D991-R993 PolarHBondContact O-N 3.06Å; D991-R993 WeakPolarHBondContact OD1-CB 3.45Å; D991-R993 WeakPolarHBondContact OD1-CG 3.44Å; D991-R993 IonicContact OD1-CZ 3.57Å; D991-R993 PolarHBondContact OD1-N 2.87Å; D991-R993 VanDerWaalsContact OD1-N 3.08Å; D991-R993 IonicContact OD1-NE 3.79Å; D991-R993 PolarHBondContact OD1-NE 2.88Å; D991-R993 IonicContact OD1-NH2 3.25Å; D991-R993 IonicContact OD2-CZ 2.8Å; D991-R993 VanDerWaalsContact OD2-CZ 3.26Å; D991-R993 IonicContact OD2-NE 3.79Å; D991-R993 PolarHBondContact OD2-NE 3.47Å; D991-R993 IonicContact OD2-NH2 2.91Å; D991-R993 PolarHBondContact OD2-NH2 3.44Å
992	C	76.3	Confident	53.9	Low	2 Å²	2	72.7 Å²	72.7	1%	0.014	39%	0.389	C	S	.	.			trans	-71.7	-4.3	178.4	-75	0	0	0	0	112.2	R994 C1004 P1139	C992-R994 PolarHBondContact O-N 3.39Å; C992-C1004 WeakPolarHBondContact CA-SG 3.49Å; C992-C1004 HydrophobicContact CB-CB 4.05Å; C992-C1004 WeakPolarHBondContact CB-SG 3.49Å; C992-C1004 PolarHBondContact N-SG 3.33Å; C992-C1004 WeakPolarHBondContact SG-CA 3.29Å; C992-C1004 WeakPolarHBondContact SG-CB 3.09Å; C992-C1004 CovalentContact SG-SG 2.03Å; C992-C1004 PolarHBondContact SG-SG 3.05Å; C992-P1139 HydrophobicContact CB-CG 3.68Å
993	R	71.8	Confident	56.2	Low	77 Å²	77	74.5 Å²	74.5	29%	0.291	39%	0.387	S	S	.	.			trans	-68.4	102.7	176.3	-61.6	178.8	-66.1	168.6	6.4	110.2	D991 S1001 V1002	D991-R993 VanDerWaalsContact CG-NE 3.33Å; D991-R993 PolarHBondContact O-N 3.06Å; D991-R993 WeakPolarHBondContact OD1-CB 3.45Å; D991-R993 WeakPolarHBondContact OD1-CG 3.44Å; D991-R993 IonicContact OD1-CZ 3.57Å; D991-R993 PolarHBondContact OD1-N 2.87Å; D991-R993 VanDerWaalsContact OD1-N 3.08Å; D991-R993 IonicContact OD1-NE 3.79Å; D991-R993 PolarHBondContact OD1-NE 2.88Å; D991-R993 IonicContact OD1-NH2 3.25Å; D991-R993 IonicContact OD2-CZ 2.8Å; D991-R993 VanDerWaalsContact OD2-CZ 3.26Å; D991-R993 IonicContact OD2-NE 3.79Å; D991-R993 PolarHBondContact OD2-NE 3.47Å; D991-R993 IonicContact OD2-NH2 2.91Å; D991-R993 PolarHBondContact OD2-NH2 3.44Å; R993-S1001 VanDerWaalsContact CA-OG 3.25Å; R993-S1001 WeakPolarHBondContact CA-OG 3.25Å; R993-S1001 VanDerWaalsContact CB-OG 3.26Å; R993-S1001 WeakPolarHBondContact CB-OG 3.03Å; R993-S1001 WeakPolarHBondContact CG-OG 3.28Å; R993-V1002 WeakPolarHBondContact CG-O 3.45Å
994	R	64.7	Low	58.7	Low	49 Å²	49	67.4 Å²	67.4	19%	0.185	35%	0.35	C	S	.	.	S	Bend	trans	-69	-36	175.5	-67.9	-177.5	178.1	163.1	0.7	112.6	P675 L681 C992 F1136	P675-R994 VanDerWaalsContact CA-O 3.26Å; P675-R994 WeakPolarHBondContact CA-O 3.35Å; P675-R994 WeakPolarHBondContact CB-O 3.43Å; L681-R994 HydrophobicContact CD1-CG 4.26Å; C992-R994 PolarHBondContact O-N 3.39Å; R994-F1136 PolarHBondContact NH2-O 2.92Å
995	N	61.9	Low	61.4	Low	62 Å²	62	59.8 Å²	59.8	33%	0.332	32%	0.316	S	S	.	.			trans	-150.3	112.5	179.1	-178.9	0.9	0	0	0	108.8	S997 V998	N995-S997 PolarHBondContact ND2-OG 2.89Å; N995-S997 PolarHBondContact O-N 3.18Å; N995-S997 VanDerWaalsContact O-N 3.08Å; N995-S997 PolarHBondContact OD1-N 2.73Å; N995-S997 PolarHBondContact OD1-OG 2.72Å; N995-V998 HydrophobicContact CB-CG2 3.89Å; N995-V998 PolarHBondContact O-N 2.86Å
996	S	56.6	Low	64	Low	102 Å²	102	58.5 Å²	58.5	71%	0.713	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.3	179.8	52.9	0	0	0	0	113.7
997	S	53.5	Low	66.7	Low	90 Å²	90	49.8 Å²	49.8	63%	0.629	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.9	174.4	60.1	0	0	0	0	114.4	N995 P999	N995-S997 PolarHBondContact ND2-OG 2.89Å; N995-S997 PolarHBondContact O-N 3.18Å; N995-S997 VanDerWaalsContact O-N 3.08Å; N995-S997 PolarHBondContact OD1-N 2.73Å; N995-S997 PolarHBondContact OD1-OG 2.72Å; S997-P999 WeakPolarHBondContact O-CD 3.39Å
998	V	56.3	Low	69	Low	79 Å²	79	47.7 Å²	47.7	48%	0.479	27%	0.266	S	S	.	.	S	Bend	trans	-81.2	120.3	173.4	178.6	0	0	0	0	109.2	N995 H1000 S1001	N995-V998 HydrophobicContact CB-CG2 3.89Å; N995-V998 PolarHBondContact O-N 2.86Å; V998-H1000 PolarHBondContact O-N 2.04Å; V998-S1001 WeakPolarHBondContact O-CB 3.37Å; V998-S1001 PolarHBondContact O-N 3.15Å
999	P	49.1	Very low	71	Confident	102 Å²	102	46.1 Å²	46.1	66%	0.662	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	137.5	172.2	-21.8	32.3	0	0	0	110	S997 S1001	S997-P999 WeakPolarHBondContact O-CD 3.39Å; P999-S1001 VanDerWaalsContact C-N 3.35Å; P999-S1001 PolarHBondContact O-N 3.04Å
1000	H	63.9	Low	72.6	Confident	134 Å²	134	46.1 Å²	46.1	62%	0.62	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	16	-177.7	-44.8	-74.4	0	0	0	116.5	V998 V1002 E1140	V998-H1000 PolarHBondContact O-N 2.04Å; H1000-V1002 PolarHBondContact O-N 3.02Å; H1000-E1140 WeakPolarHBondContact O-CB 3.33Å
1001	S	67.2	Low	73.9	Confident	31 Å²	31	46.3 Å²	46.3	22%	0.217	25%	0.25	C	S	.	.			trans	-67.4	117.7	169.7	-164.7	0	0	0	0	110.5	R993 V998 P999	R993-S1001 VanDerWaalsContact CA-OG 3.25Å; R993-S1001 WeakPolarHBondContact CA-OG 3.25Å; R993-S1001 VanDerWaalsContact CB-OG 3.26Å; R993-S1001 WeakPolarHBondContact CB-OG 3.03Å; R993-S1001 WeakPolarHBondContact CG-OG 3.28Å; V998-S1001 WeakPolarHBondContact O-CB 3.37Å; V998-S1001 PolarHBondContact O-N 3.15Å; P999-S1001 VanDerWaalsContact C-N 3.35Å; P999-S1001 PolarHBondContact O-N 3.04Å
1002	V	77	Confident	75.1	Confident	18 Å²	18	45.4 Å²	45.4	11%	0.109	25%	0.245	C	C	.	.			trans	-109.7	153	-177.4	-57.9	0	0	0	0	111.9	F972 R993 H1000 P1139 E1140 L1143	F972-V1002 HydrophobicContact CE1-CB 4.13Å; R993-V1002 WeakPolarHBondContact CG-O 3.45Å; H1000-V1002 PolarHBondContact O-N 3.02Å; V1002-P1139 HydrophobicContact CG2-CB 3.78Å; V1002-P1139 HydrophobicContact CG2-CG 3.59Å; V1002-E1140 HydrophobicContact CG2-CB 3.95Å; V1002-E1140 VanDerWaalsContact CG2-N 3.35Å; V1002-L1143 HydrophobicContact CB-CD1 4.34Å; V1002-L1143 HydrophobicContact CG1-CD1 4.28Å; V1002-L1143 HydrophobicContact CG2-CD1 4Å
1003	R	78.4	Confident	75.8	Confident	93 Å²	93	45.4 Å²	45.4	35%	0.351	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-69.2	165.3	175	-66.2	179	-179.9	-176.7	-1.6	110.3	F972 S974	F972-R1003 HydrophobicContact CD1-CB 4.27Å; S974-R1003 WeakPolarHBondContact OG-CD 3.22Å; S974-R1003 PolarHBondContact OG-NH1 3.34Å
1004	C	83.6	Confident	76.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-64.5	146.9	172.3	-58.5	0	0	0	0	110.4	N973 M990 C992	N973-C1004 PolarHBondContact N-O 2.67Å; N973-C1004 VanDerWaalsContact N-O 3.17Å; M990-C1004 HydrophobicContact CB-CB 4.05Å; C992-C1004 WeakPolarHBondContact CA-SG 3.49Å; C992-C1004 HydrophobicContact CB-CB 4.05Å; C992-C1004 WeakPolarHBondContact CB-SG 3.49Å; C992-C1004 PolarHBondContact N-SG 3.33Å; C992-C1004 WeakPolarHBondContact SG-CA 3.29Å; C992-C1004 WeakPolarHBondContact SG-CB 3.09Å; C992-C1004 CovalentContact SG-SG 2.03Å; C992-C1004 PolarHBondContact SG-SG 3.05Å
1005	L	88.1	Confident	77.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-88.2	148.6	170.5	-60.3	177.6	0	0	0	110.2	L970 P971 F972 N1013 L1019 L1143	L970-L1005 HydrophobicContact CB-CB 3.89Å; L970-L1005 HydrophobicContact CB-CD1 4.49Å; L970-L1005 HydrophobicContact CD1-CB 4.44Å; L970-L1005 WeakPolarHBondContact O-CD2 3.42Å; P971-L1005 CarbonylContact O-C 3.55Å; P971-L1005 WeakPolarHBondContact O-CA 3.19Å; F972-L1005 HydrophobicContact CD1-CD2 3.44Å; F972-L1005 VanDerWaalsContact CD1-CD2 3.44Å; F972-L1005 HydrophobicContact CD2-CD2 4.48Å; F972-L1005 HydrophobicContact CE1-CD2 3.48Å; F972-L1005 VanDerWaalsContact CE1-CD2 3.48Å; F972-L1005 HydrophobicContact CE2-CD2 4.5Å; F972-L1005 HydrophobicContact CG-CD2 3.98Å; F972-L1005 HydrophobicContact CZ-CD2 4.04Å; L1005-N1013 PolarHBondContact N-OD1 2.71Å; L1005-N1013 VanDerWaalsContact N-OD1 3.08Å; L1005-N1013 PolarHBondContact O-ND2 2.8Å; L1005-L1019 HydrophobicContact CB-CD1 4Å; L1005-L1019 HydrophobicContact CD1-CD1 3.96Å; L1005-L1019 HydrophobicContact CD1-CD2 4.08Å; L1005-L1019 HydrophobicContact CD1-CG 4.36Å; L1005-L1019 HydrophobicContact CG-CD1 4.49Å; L1005-L1143 HydrophobicContact CD1-CD2 4.28Å
1006	M	87.1	Confident	79.4	Confident	19 Å²	19	38 Å²	38	9%	0.094	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-103.8	142	-176.1	-63.6	-175.4	-61.4	0	0	112.6	L947 L970 P971 F972 N973 I976	L947-M1006 HydrophobicContact CD2-CB 4.28Å; L970-M1006 WeakPolarHBondContact CB-O 3.31Å; L970-M1006 WeakPolarHBondContact CD2-O 3.45Å; P971-M1006 HydrophobicContact CB-CE 4.35Å; P971-M1006 HydrophobicContact CG-CB 4.41Å; P971-M1006 HydrophobicContact CG-CE 4.17Å; P971-M1006 PolarHBondContact O-N 3.23Å; F972-M1006 VanDerWaalsContact O-CE 3.26Å; F972-M1006 WeakPolarHBondContact O-CE 3.36Å; N973-M1006 HydrophobicContact CB-CG 3.89Å; N973-M1006 HydrophobicContact CB-SD 3.93Å; N973-M1006 PolarHBondContact OD1-SD 3.38Å; I976-M1006 HydrophobicContact CD1-CE 3.37Å; I976-M1006 HydrophobicContact CD1-SD 3.45Å; I976-M1006 WeakPolarHBondContact CD1-SD 3.05Å; I976-M1006 HydrophobicContact CG1-CE 3.81Å; I976-M1006 HydrophobicContact CG1-SD 4.37Å
1007	A	91.3	Very high	81.3	Confident	15 Å²	15	33.1 Å²	33.1	12%	0.124	18%	0.18	C	C	.	.			trans	-140.1	-177	172.1	0	0	0	0	0	109.4	L970 D1009 A1012 H1022	L970-A1007 HydrophobicContact CD1-CB 4.26Å; L970-A1007 HydrophobicContact CD2-CB 4.34Å; A1007-D1009 PolarHBondContact O-N 3.27Å; A1007-A1012 HydrophobicContact CB-CB 3.76Å; A1007-H1022 HydrophobicContact CB-CB 4.05Å; A1007-H1022 WeakPolarHBondContact CB-ND1 3.19Å
1008	G	91.4	Very high	83.4	Confident	3 Å²	3	28.8 Å²	28.8	3%	0.031	15%	0.15	C	C	.	.	S	Bend	trans	-63.2	-26.8	175.1	0	0	0	0	0	114.6	S934 S935 V936 G938	S934-G1008 CarbonylContact O-C 3.54Å; S934-G1008 WeakPolarHBondContact O-CA 3.3Å; S935-G1008 WeakPolarHBondContact O-CA 3.43Å; S935-G1008 PolarHBondContact O-N 2.76Å; S935-G1008 VanDerWaalsContact O-N 3.09Å; V936-G1008 PolarHBondContact O-N 2.69Å; G938-G1008 VanDerWaalsContact N-CA 3.3Å
1009	D	91	Very high	85.3	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-110.3	131.6	170.6	-179.2	-93.7	0	0	0	111.3	H849 S935 A1007 R1011 A1012	H849-D1009 HydrophobicContact CB-CB 4.33Å; H849-D1009 IonicContact CG-OD1 3Å; H849-D1009 IonicContact ND1-OD1 3.04Å; H849-D1009 PolarHBondContact ND1-OD1 3.35Å; S935-D1009 PolarHBondContact O-N 3.24Å; A1007-D1009 PolarHBondContact O-N 3.27Å; D1009-R1011 PolarHBondContact O-N 2.8Å; D1009-R1011 WeakPolarHBondContact OD1-CA 3.24Å; D1009-R1011 WeakPolarHBondContact OD1-CB 3.3Å; D1009-R1011 IonicContact OD1-CZ 3.3Å; D1009-R1011 PolarHBondContact OD1-N 2.93Å; D1009-R1011 IonicContact OD1-NE 3.95Å; D1009-R1011 PolarHBondContact OD1-NE 3.33Å; D1009-R1011 IonicContact OD1-NH2 3.07Å; D1009-R1011 IonicContact OD2-CZ 2.87Å; D1009-R1011 IonicContact OD2-NE 2.68Å; D1009-R1011 PolarHBondContact OD2-NE 3.18Å; D1009-R1011 VanDerWaalsContact OD2-NE 3.15Å; D1009-R1011 IonicContact OD2-NH2 2.78Å; D1009-R1011 PolarHBondContact OD2-NH2 3.01Å; D1009-A1012 WeakPolarHBondContact O-CB 3.29Å; D1009-A1012 PolarHBondContact O-N 3.27Å
1010	Y	86.7	Confident	87.6	Confident	60 Å²	60	20.3 Å²	20.3	24%	0.235	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-63.3	-22.7	-177.1	-66.5	-82.6	0	0	0	113.5	I685 D943 M990 A1012	I685-Y1010 VanDerWaalsContact CG2-O 3.25Å; I685-Y1010 WeakPolarHBondContact CG2-O 3.46Å; I685-Y1010 WeakPolarHBondContact O-CB 3.41Å; D943-Y1010 PolarHBondContact OD1-OH 3.43Å; D943-Y1010 WeakPolarHBondContact OD2-CE2 3.43Å; D943-Y1010 PolarHBondContact OD2-OH 3.48Å; M990-Y1010 HydrophobicContact CE-CD1 3.73Å; M990-Y1010 HydrophobicContact CE-CE1 4.5Å; M990-Y1010 HydrophobicContact SD-CD1 3.9Å; Y1010-A1012 PolarHBondContact O-N 3.38Å
1011	R	89.9	Confident	89.2	Confident	15 Å²	15	13.9 Å²	13.9	6%	0.057	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-83.5	8.4	-179	-51.4	162	-75.7	-170.7	-15.7	113.1	I685 D848 H849 T852 D1009 N1013 E1014 L1018	I685-R1011 HydrophobicContact CG2-CB 4.14Å; I685-R1011 HydrophobicContact CG2-CG 3.79Å; D848-R1011 IonicContact OD2-NH1 3.76Å; H849-R1011 PolarHBondContact CD2-NH1 3.25Å; H849-R1011 VanDerWaalsContact CD2-NH1 3.3Å; H849-R1011 VanDerWaalsContact CE1-CB 3.43Å; H849-R1011 WeakPolarHBondContact CE1-CB 3.01Å; T852-R1011 VanDerWaalsContact O-CZ 3.3Å; T852-R1011 PolarHBondContact O-NH1 3.1Å; T852-R1011 PolarHBondContact O-NH2 2.86Å; D1009-R1011 PolarHBondContact O-N 2.8Å; D1009-R1011 WeakPolarHBondContact OD1-CA 3.24Å; D1009-R1011 WeakPolarHBondContact OD1-CB 3.3Å; D1009-R1011 IonicContact OD1-CZ 3.3Å; D1009-R1011 PolarHBondContact OD1-N 2.93Å; D1009-R1011 IonicContact OD1-NE 3.95Å; D1009-R1011 PolarHBondContact OD1-NE 3.33Å; D1009-R1011 IonicContact OD1-NH2 3.07Å; D1009-R1011 IonicContact OD2-CZ 2.87Å; D1009-R1011 IonicContact OD2-NE 2.68Å; D1009-R1011 PolarHBondContact OD2-NE 3.18Å; D1009-R1011 VanDerWaalsContact OD2-NE 3.15Å; D1009-R1011 IonicContact OD2-NH2 2.78Å; D1009-R1011 PolarHBondContact OD2-NH2 3.01Å; R1011-N1013 PolarHBondContact O-N 3.37Å; R1011-E1014 HydrophobicContact CB-CB 4.44Å; R1011-E1014 WeakPolarHBondContact O-CB 3.41Å; R1011-E1014 PolarHBondContact O-N 3.37Å; R1011-L1018 WeakPolarHBondContact O-CD2 3.41Å
1012	A	92.2	Very high	90.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-53	-30.6	179.7	0	0	0	0	0	114.5	A1007 D1009 Y1010 L1019 H1022	A1007-A1012 HydrophobicContact CB-CB 3.76Å; D1009-A1012 WeakPolarHBondContact O-CB 3.29Å; D1009-A1012 PolarHBondContact O-N 3.27Å; Y1010-A1012 PolarHBondContact O-N 3.38Å; A1012-L1019 VanDerWaalsContact O-CA 3.27Å; A1012-L1019 WeakPolarHBondContact O-CA 3.3Å; A1012-L1019 WeakPolarHBondContact O-CB 3.43Å; A1012-L1019 PolarHBondContact O-N 2.93Å; A1012-H1022 HydrophobicContact CB-CB 4.27Å; A1012-H1022 VanDerWaalsContact CB-CD2 3.44Å; A1012-H1022 WeakPolarHBondContact CB-CD2 3.2Å
1013	N	90.7	Very high	91.7	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.011	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-90.3	5.9	178.4	-61.8	-100.1	0	0	0	113.4	L1005 R1011 Q1015 F1137	L1005-N1013 PolarHBondContact N-OD1 2.71Å; L1005-N1013 VanDerWaalsContact N-OD1 3.08Å; L1005-N1013 PolarHBondContact O-ND2 2.8Å; R1011-N1013 PolarHBondContact O-N 3.37Å; N1013-Q1015 VanDerWaalsContact C-N 3.26Å; N1013-Q1015 PolarHBondContact O-N 2.7Å; N1013-F1137 HydrophobicContact CB-CD1 4.48Å; N1013-F1137 VanDerWaalsContact O-CA 3.24Å; N1013-F1137 WeakPolarHBondContact O-CA 3.41Å; N1013-F1137 WeakPolarHBondContact O-CD1 3.32Å; N1013-F1137 PolarHBondContact O-N 3.45Å; N1013-F1137 VanDerWaalsContact O-N 3.16Å
1014	E	88.4	Confident	92.6	Very high	24 Å²	24	7.2 Å²	7.2	11%	0.112	4%	0.035	C	C	.	.	S	Bend	trans	-53.8	-46.6	-176.2	-171.7	-85.4	159.9	0	0	110.7	M682 Q845 R1011 L1018 F1136 F1137	M682-E1014 HydrophobicContact SD-CG 4.44Å; Q845-E1014 PolarHBondContact NE2-OE2 3.06Å; R1011-E1014 HydrophobicContact CB-CB 4.44Å; R1011-E1014 WeakPolarHBondContact O-CB 3.41Å; R1011-E1014 PolarHBondContact O-N 3.37Å; E1014-L1018 HydrophobicContact CB-CD2 4.16Å; E1014-F1136 CarbonylContact O-C 3.4Å; E1014-F1136 WeakPolarHBondContact O-CA 3.42Å; E1014-F1136 VanDerWaalsContact O-CD1 3.3Å; E1014-F1136 WeakPolarHBondContact O-CD1 3.35Å; E1014-F1136 WeakPolarHBondContact OE1-CD1 3.36Å; E1014-F1136 WeakPolarHBondContact OE1-CE1 3.3Å; E1014-F1137 HydrophobicContact CB-CE1 4.43Å; E1014-F1137 HydrophobicContact CB-CZ 4.33Å; E1014-F1137 HydrophobicContact CG-CZ 4.13Å; E1014-F1137 PolarHBondContact O-N 3.4Å; E1014-F1137 VanDerWaalsContact O-N 3.12Å
1015	Q	91.3	Very high	93.3	Very high	6 Å²	6	7.2 Å²	7.2	3%	0.028	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	-147.9	156.1	170.5	61.1	84.2	7.8	0	0	112.1	N1013 G1017 L1018 L1019 A1135 F1136	N1013-Q1015 VanDerWaalsContact C-N 3.26Å; N1013-Q1015 PolarHBondContact O-N 2.7Å; Q1015-G1017 PolarHBondContact O-N 3.41Å; Q1015-G1017 VanDerWaalsContact OE1-CA 3.26Å; Q1015-L1018 VanDerWaalsContact CD-N 3.34Å; Q1015-L1018 HydrophobicContact CG-CB 4.22Å; Q1015-L1018 WeakPolarHBondContact O-CB 3.27Å; Q1015-L1018 PolarHBondContact O-N 3.19Å; Q1015-L1018 VanDerWaalsContact O-N 3.1Å; Q1015-L1019 PolarHBondContact O-N 2.99Å; Q1015-L1019 VanDerWaalsContact O-N 3.12Å; Q1015-A1135 WeakPolarHBondContact CA-O 3.33Å; Q1015-A1135 HydrophobicContact CB-CB 4.46Å; Q1015-F1136 HydrophobicContact CB-CD1 3.92Å; Q1015-F1136 HydrophobicContact CB-CE1 4.23Å
1016	A	94.2	Very high	93.7	Very high	2 Å²	2	7.3 Å²	7.3	2%	0.017	4%	0.036	C	C	.	.	H	α-helix	trans	-57.8	-36.3	-170	0	0	0	0	0	116	L1019 A1020 L1115 L1130 A1135 V1142 L1151	A1016-L1019 PolarHBondContact O-N 2.94Å; A1016-A1020 PolarHBondContact O-N 3.32Å; A1016-L1115 HydrophobicContact CB-CD1 4.43Å; A1016-L1130 HydrophobicContact CB-CD2 3.94Å; A1016-A1135 HydrophobicContact CB-CB 4.29Å; A1016-A1135 PolarHBondContact N-O 2.8Å; A1016-V1142 HydrophobicContact CB-CG2 3.81Å; A1016-L1151 HydrophobicContact CB-CD1 3.92Å
1017	G	96.5	Very high	94.2	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-67.7	-36.3	174.9	0	0	0	0	0	113.5	Q1015 A1020 M1021	Q1015-G1017 PolarHBondContact O-N 3.41Å; Q1015-G1017 VanDerWaalsContact OE1-CA 3.26Å; G1017-A1020 WeakPolarHBondContact O-CB 3.19Å; G1017-A1020 PolarHBondContact O-N 2.79Å; G1017-M1021 WeakPolarHBondContact O-CG 3.35Å; G1017-M1021 PolarHBondContact O-N 3.43Å; G1017-M1021 VanDerWaalsContact O-N 3.14Å
1018	L	97.1	Very high	94.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-66.8	-43.8	173.2	179.1	63.7	0	0	0	110.2	Q845 F846 H849 R1011 E1014 Q1015 A1020 M1021 H1022	Q845-L1018 HydrophobicContact CG-CD1 4.34Å; Q845-L1018 HydrophobicContact CG-CD2 4.46Å; F846-L1018 HydrophobicContact CB-CD1 4.21Å; F846-L1018 HydrophobicContact CD2-CD1 4.11Å; H849-L1018 WeakPolarHBondContact CE1-CD2 3.22Å; R1011-L1018 WeakPolarHBondContact O-CD2 3.41Å; E1014-L1018 HydrophobicContact CB-CD2 4.16Å; Q1015-L1018 VanDerWaalsContact CD-N 3.34Å; Q1015-L1018 HydrophobicContact CG-CB 4.22Å; Q1015-L1018 WeakPolarHBondContact O-CB 3.27Å; Q1015-L1018 PolarHBondContact O-N 3.19Å; Q1015-L1018 VanDerWaalsContact O-N 3.1Å; L1018-A1020 VanDerWaalsContact C-N 3.27Å; L1018-A1020 PolarHBondContact O-N 2.85Å; L1018-M1021 WeakPolarHBondContact O-CB 3.48Å; L1018-M1021 PolarHBondContact O-N 3.31Å; L1018-H1022 PolarHBondContact O-CD2 2.91Å; L1018-H1022 VanDerWaalsContact O-CD2 3.29Å; L1018-H1022 PolarHBondContact O-N 3.17Å
1019	L	96	Very high	94.9	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.01	3%	0.026	C	C	.	.	H	α-helix	trans	-59.8	-38.2	175.6	-179.1	58.5	0	0	0	112.2	L970 L1005 A1012 Q1015 A1016 M1021 H1022 T1023 P1139 V1142	L970-L1019 HydrophobicContact CD1-CD1 3.79Å; L1005-L1019 HydrophobicContact CB-CD1 4Å; L1005-L1019 HydrophobicContact CD1-CD1 3.96Å; L1005-L1019 HydrophobicContact CD1-CD2 4.08Å; L1005-L1019 HydrophobicContact CD1-CG 4.36Å; L1005-L1019 HydrophobicContact CG-CD1 4.49Å; A1012-L1019 VanDerWaalsContact O-CA 3.27Å; A1012-L1019 WeakPolarHBondContact O-CA 3.3Å; A1012-L1019 WeakPolarHBondContact O-CB 3.43Å; A1012-L1019 PolarHBondContact O-N 2.93Å; Q1015-L1019 PolarHBondContact O-N 2.99Å; Q1015-L1019 VanDerWaalsContact O-N 3.12Å; A1016-L1019 PolarHBondContact O-N 2.94Å; L1019-M1021 VanDerWaalsContact C-N 3.34Å; L1019-H1022 PolarHBondContact O-N 2.82Å; L1019-T1023 WeakPolarHBondContact O-CB 3.42Å; L1019-T1023 PolarHBondContact O-N 2.81Å; L1019-T1023 PolarHBondContact O-OG1 3.01Å; L1019-P1139 HydrophobicContact CD2-CB 3.91Å; L1019-V1142 HydrophobicContact CD2-CB 4.27Å; L1019-V1142 HydrophobicContact CD2-CG2 3.93Å; L1019-V1142 HydrophobicContact CG-CG2 4.46Å
1020	A	97.2	Very high	95.1	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.4	-40.5	172.8	0	0	0	0	0	112.1	A1016 G1017 L1018 T1023 L1024 I1148 L1152	A1016-A1020 PolarHBondContact O-N 3.32Å; G1017-A1020 WeakPolarHBondContact O-CB 3.19Å; G1017-A1020 PolarHBondContact O-N 2.79Å; L1018-A1020 VanDerWaalsContact C-N 3.27Å; L1018-A1020 PolarHBondContact O-N 2.85Å; A1020-T1023 PolarHBondContact O-N 3.01Å; A1020-L1024 WeakPolarHBondContact O-CB 3.46Å; A1020-L1024 PolarHBondContact O-N 3.15Å; A1020-I1148 HydrophobicContact CB-CB 3.83Å; A1020-I1148 HydrophobicContact CB-CG2 3.83Å; A1020-L1152 HydrophobicContact CB-CD2 4.34Å
1021	M	98.2	Very high	95.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-66	-45.4	175.6	-68	-59.5	-66.2	0	0	112.9	M839 Q842 W843 F846 G1017 L1018 L1019 T1023 L1024 W1025 L1152 M1155	M839-M1021 HydrophobicContact CE-SD 4.38Å; M839-M1021 HydrophobicContact SD-CE 4.36Å; M839-M1021 HydrophobicContact SD-SD 4.06Å; Q842-M1021 HydrophobicContact CG-CG 3.56Å; Q842-M1021 HydrophobicContact CG-SD 4.31Å; W843-M1021 HydrophobicContact CE3-CE 3.86Å; W843-M1021 HydrophobicContact CZ3-CE 4.14Å; F846-M1021 HydrophobicContact CB-CB 4.5Å; F846-M1021 HydrophobicContact CD2-CB 3.89Å; F846-M1021 HydrophobicContact CE2-CB 4.34Å; F846-M1021 HydrophobicContact CG-CB 4.17Å; G1017-M1021 WeakPolarHBondContact O-CG 3.35Å; G1017-M1021 PolarHBondContact O-N 3.43Å; G1017-M1021 VanDerWaalsContact O-N 3.14Å; L1018-M1021 WeakPolarHBondContact O-CB 3.48Å; L1018-M1021 PolarHBondContact O-N 3.31Å; L1019-M1021 VanDerWaalsContact C-N 3.34Å; M1021-T1023 VanDerWaalsContact C-N 3.29Å; M1021-T1023 PolarHBondContact O-N 2.95Å; M1021-L1024 HydrophobicContact CE-CD2 4.48Å; M1021-L1024 WeakPolarHBondContact O-CB 3.32Å; M1021-L1024 PolarHBondContact O-N 2.81Å; M1021-L1024 HydrophobicContact SD-CD2 4.38Å; M1021-W1025 VanDerWaalsContact O-CD1 3.31Å; M1021-W1025 PolarHBondContact O-N 2.75Å; M1021-L1152 HydrophobicContact SD-CD2 4.26Å; M1021-M1155 HydrophobicContact SD-CE 4.43Å
1022	H	98.2	Very high	96	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.009	2%	0.024	C	C	.	.	H	α-helix	trans	-61.6	-40.3	175.9	-75.5	-88.2	0	0	0	111.5	F846 S935 L970 A1007 A1012 L1018 L1019 W1025 M1026	F846-H1022 AromaticContact CD2-NE2 3.93Å; F846-H1022 AromaticContact CE2-CE1 3.77Å; F846-H1022 AromaticContact CE2-CG 3.85Å; F846-H1022 AromaticContact CE2-ND1 3.69Å; F846-H1022 AromaticContact CE2-NE2 3.99Å; S935-H1022 PolarHBondContact O-CE1 2.99Å; S935-H1022 VanDerWaalsContact O-CE1 3.25Å; S935-H1022 PolarHBondContact O-ND1 2.03Å; L970-H1022 HydrophobicContact CD1-CB 3.67Å; A1007-H1022 HydrophobicContact CB-CB 4.05Å; A1007-H1022 WeakPolarHBondContact CB-ND1 3.19Å; A1012-H1022 HydrophobicContact CB-CB 4.27Å; A1012-H1022 VanDerWaalsContact CB-CD2 3.44Å; A1012-H1022 WeakPolarHBondContact CB-CD2 3.2Å; L1018-H1022 PolarHBondContact O-CD2 2.91Å; L1018-H1022 VanDerWaalsContact O-CD2 3.29Å; L1018-H1022 PolarHBondContact O-N 3.17Å; L1019-H1022 PolarHBondContact O-N 2.82Å; H1022-W1025 PolarHBondContact O-N 2.89Å; H1022-M1026 PolarHBondContact O-N 3.44Å
1023	T	97.3	Very high	96.2	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62.4	-44.3	175.1	-57.5	0	0	0	0	111.5	Y969 L1019 A1020 M1021 W1025 M1026 R1027 I1148	Y969-T1023 HydrophobicContact CD1-CG2 3.97Å; L1019-T1023 WeakPolarHBondContact O-CB 3.42Å; L1019-T1023 PolarHBondContact O-N 2.81Å; L1019-T1023 PolarHBondContact O-OG1 3.01Å; A1020-T1023 PolarHBondContact O-N 3.01Å; M1021-T1023 VanDerWaalsContact C-N 3.29Å; M1021-T1023 PolarHBondContact O-N 2.95Å; T1023-W1025 VanDerWaalsContact C-N 3.33Å; T1023-W1025 PolarHBondContact O-N 2.91Å; T1023-M1026 PolarHBondContact O-N 2.82Å; T1023-R1027 VanDerWaalsContact O-CG 3.3Å; T1023-R1027 WeakPolarHBondContact O-CG 3.47Å; T1023-R1027 PolarHBondContact O-N 2.83Å; T1023-I1148 HydrophobicContact CG2-CD1 4.19Å; T1023-I1148 HydrophobicContact CG2-CG2 4.21Å
1024	L	97.8	Very high	96.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-57.3	-44.5	177.4	-173.3	78.2	0	0	0	112	A1020 M1021 R1027 Q1028 L1152 L1304 V1307 L1308 N1311	A1020-L1024 WeakPolarHBondContact O-CB 3.46Å; A1020-L1024 PolarHBondContact O-N 3.15Å; M1021-L1024 HydrophobicContact CE-CD2 4.48Å; M1021-L1024 WeakPolarHBondContact O-CB 3.32Å; M1021-L1024 PolarHBondContact O-N 2.81Å; M1021-L1024 HydrophobicContact SD-CD2 4.38Å; L1024-R1027 WeakPolarHBondContact O-CB 3.47Å; L1024-R1027 PolarHBondContact O-N 2.88Å; L1024-Q1028 PolarHBondContact O-N 2.87Å; L1024-L1152 HydrophobicContact CD1-CD1 4.01Å; L1024-L1304 HydrophobicContact CD2-CD1 4.37Å; L1024-V1307 HydrophobicContact CD2-CG1 4.05Å; L1024-V1307 HydrophobicContact CG-CG1 4.12Å; L1024-L1308 HydrophobicContact CD1-CD2 4.19Å; L1024-L1308 HydrophobicContact CD2-CD2 3.77Å; L1024-L1308 HydrophobicContact CD2-CG 4.39Å; L1024-N1311 HydrophobicContact CD1-CB 3.49Å; L1024-N1311 VanDerWaalsContact CD1-CB 3.49Å; L1024-N1311 HydrophobicContact CG-CB 4.24Å
1025	W	98.2	Very high	96.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-78.2	-30.4	-177	-79.2	103.2	0	0	0	113.9	W843 F846 V936 M1021 H1022 T1023 Q1028 H1029 V1056 Q1059 M1060 I1063 L1304 V1307	W843-W1025 HydrophobicContact CH2-CH2 4.39Å; W843-W1025 AromaticContact CH2-CZ2 3.5Å; W843-W1025 HydrophobicContact CH2-CZ2 3.5Å; W843-W1025 AromaticContact CZ3-CE2 3.91Å; W843-W1025 AromaticContact CZ3-CZ2 3.6Å; W843-W1025 HydrophobicContact CZ3-CZ2 3.6Å; W843-W1025 AromaticContact CZ3-NE1 3.65Å; F846-W1025 AromaticContact CE1-CD1 3.29Å; F846-W1025 HydrophobicContact CE1-CD2 4.46Å; F846-W1025 AromaticContact CE1-CG 3.94Å; F846-W1025 HydrophobicContact CE1-CG 3.94Å; F846-W1025 AromaticContact CE1-NE1 3.47Å; F846-W1025 HydrophobicContact CZ-CB 4.08Å; F846-W1025 AromaticContact CZ-CD1 3.33Å; F846-W1025 AromaticContact CZ-CG 3.78Å; F846-W1025 HydrophobicContact CZ-CG 3.78Å; V936-W1025 HydrophobicContact CG2-CB 3.75Å; M1021-W1025 VanDerWaalsContact O-CD1 3.31Å; M1021-W1025 PolarHBondContact O-N 2.75Å; H1022-W1025 PolarHBondContact O-N 2.89Å; T1023-W1025 VanDerWaalsContact C-N 3.33Å; T1023-W1025 PolarHBondContact O-N 2.91Å; W1025-Q1028 HydrophobicContact CE3-CB 4.2Å; W1025-Q1028 HydrophobicContact CE3-CG 4.06Å; W1025-Q1028 HydrophobicContact CZ3-CG 4.05Å; W1025-Q1028 PolarHBondContact O-N 3.17Å; W1025-H1029 PolarHBondContact O-N 2.84Å; W1025-V1056 HydrophobicContact CE3-CG1 3.73Å; W1025-V1056 HydrophobicContact CZ3-CG1 3.9Å; W1025-Q1059 HydrophobicContact CH2-CB 4.09Å; W1025-Q1059 HydrophobicContact CZ3-CB 4.2Å; W1025-M1060 HydrophobicContact CD2-CG 4.45Å; W1025-M1060 HydrophobicContact CD2-SD 4.41Å; W1025-M1060 HydrophobicContact CE3-CG 4.28Å; W1025-M1060 HydrophobicContact CE3-SD 4.4Å; W1025-M1060 HydrophobicContact CH2-CG 3.67Å; W1025-M1060 HydrophobicContact CZ2-CG 3.88Å; W1025-M1060 HydrophobicContact CZ3-CG 3.88Å; W1025-I1063 HydrophobicContact CH2-CD1 3.95Å; W1025-I1063 HydrophobicContact CZ2-CD1 4.04Å; W1025-L1304 HydrophobicContact CZ2-CD1 4.36Å; W1025-V1307 HydrophobicContact CH2-CG2 4.34Å
1026	M	97.7	Very high	96.7	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.015	5%	0.046	C	C	.	.	H	α-helix	trans	-62.3	-46.1	166.2	175.2	-80.3	-66.3	0	0	110.8	L957 F959 Y969 L970 H1022 T1023 Q1028 H1029 N1030	L957-M1026 HydrophobicContact CB-CG 4.18Å; L957-M1026 HydrophobicContact CD1-CG 4.29Å; F959-M1026 HydrophobicContact CB-CE 4.07Å; F959-M1026 HydrophobicContact CB-SD 4Å; Y969-M1026 VanDerWaalsContact O-CE 3.23Å; Y969-M1026 WeakPolarHBondContact O-CE 3.39Å; L970-M1026 HydrophobicContact CD2-CB 3.63Å; L970-M1026 HydrophobicContact CD2-CE 4.44Å; L970-M1026 HydrophobicContact CD2-CG 4Å; H1022-M1026 PolarHBondContact O-N 3.44Å; T1023-M1026 PolarHBondContact O-N 2.82Å; M1026-Q1028 VanDerWaalsContact C-N 3.29Å; M1026-Q1028 PolarHBondContact O-N 3.2Å; M1026-H1029 PolarHBondContact O-N 3.43Å; M1026-N1030 PolarHBondContact O-N 3.36Å; M1026-N1030 PolarHBondContact SD-ND2 3.03Å
1027	R	97.6	Very high	96.5	Very high	12 Å²	12	10.5 Å²	10.5	5%	0.045	6%	0.057	C	C	.	.	H	α-helix	trans	-58.4	-41.9	174.9	-71.3	175.1	-178.3	-172.8	0.7	111.1	K967 P968 T1023 L1024 N1030 R1031 I1148 N1311 D1313	K967-R1027 VanDerWaalsContact CB-CZ 3.45Å; K967-R1027 PolarHBondContact O-NH2 2.93Å; P968-R1027 PolarHBondContact O-NE 2.88Å; P968-R1027 PolarHBondContact O-NH2 3.37Å; T1023-R1027 VanDerWaalsContact O-CG 3.3Å; T1023-R1027 WeakPolarHBondContact O-CG 3.47Å; T1023-R1027 PolarHBondContact O-N 2.83Å; L1024-R1027 WeakPolarHBondContact O-CB 3.47Å; L1024-R1027 PolarHBondContact O-N 2.88Å; R1027-N1030 PolarHBondContact O-N 2.69Å; R1027-R1031 WeakPolarHBondContact O-CB 3.37Å; R1027-R1031 PolarHBondContact O-N 3.01Å; R1027-I1148 VanDerWaalsContact NH1-CD1 3.26Å; R1027-N1311 HydrophobicContact CB-CB 3.9Å; R1027-N1311 WeakPolarHBondContact CB-OD1 3.45Å; R1027-N1311 VanDerWaalsContact CD-O 3.22Å; R1027-N1311 WeakPolarHBondContact CD-O 3.24Å; R1027-N1311 PolarHBondContact NH1-O 3.5Å; R1027-N1311 PolarHBondContact O-OD1 3.06Å; R1027-D1313 IonicContact CZ-OD1 3.44Å; R1027-D1313 IonicContact CZ-OD2 2.74Å; R1027-D1313 IonicContact NH1-OD1 3.86Å; R1027-D1313 PolarHBondContact NH1-OD1 3.44Å; R1027-D1313 IonicContact NH1-OD2 3.73Å; R1027-D1313 PolarHBondContact NH1-OD2 3.44Å; R1027-D1313 IonicContact NH2-OD1 3.85Å; R1027-D1313 IonicContact NH2-OD2 2.65Å; R1027-D1313 PolarHBondContact NH2-OD2 2.87Å
1028	Q	97.8	Very high	96.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-43	178.2	178.1	56.8	8.1	0	0	112.3	L1024 W1025 M1026 R1031 L1032 V1307 N1311	L1024-Q1028 PolarHBondContact O-N 2.87Å; W1025-Q1028 HydrophobicContact CE3-CB 4.2Å; W1025-Q1028 HydrophobicContact CE3-CG 4.06Å; W1025-Q1028 HydrophobicContact CZ3-CG 4.05Å; W1025-Q1028 PolarHBondContact O-N 3.17Å; M1026-Q1028 VanDerWaalsContact C-N 3.29Å; M1026-Q1028 PolarHBondContact O-N 3.2Å; Q1028-R1031 VanDerWaalsContact OE1-NH2 3.17Å; Q1028-L1032 HydrophobicContact CG-CD1 4.36Å; Q1028-L1032 WeakPolarHBondContact O-CB 3.48Å; Q1028-L1032 VanDerWaalsContact O-CG 3.31Å; Q1028-L1032 WeakPolarHBondContact O-CG 3.42Å; Q1028-L1032 PolarHBondContact O-N 2.91Å; Q1028-L1032 VanDerWaalsContact O-N 3.11Å; Q1028-V1307 HydrophobicContact CB-CG1 4.27Å; Q1028-V1307 HydrophobicContact CG-CG1 4.25Å; Q1028-N1311 WeakPolarHBondContact CA-OD1 3.41Å; Q1028-N1311 PolarHBondContact N-OD1 3.16Å; Q1028-N1311 PolarHBondContact OE1-ND2 3.31Å
1029	H	98.3	Very high	95.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-53.7	173.3	174.1	90.7	0	0	0	111.2	Y937 G955 L957 W1025 M1026 R1031 L1032 A1033 Y1049 T1052 V1056	Y937-H1029 AromaticContact CE1-CE1 3.8Å; Y937-H1029 AromaticContact CE1-ND1 3.46Å; Y937-H1029 WeakPolarHBondContact CE1-ND1 3.08Å; Y937-H1029 AromaticContact CZ-ND1 3.57Å; Y937-H1029 PolarHBondContact OH-ND1 2.73Å; G955-H1029 PolarHBondContact O-NE2 2.75Å; L957-H1029 HydrophobicContact CD1-CB 4.06Å; L957-H1029 VanDerWaalsContact CG-CD2 3.49Å; L957-H1029 WeakPolarHBondContact CG-CD2 3.42Å; W1025-H1029 PolarHBondContact O-N 2.84Å; M1026-H1029 PolarHBondContact O-N 3.43Å; H1029-R1031 VanDerWaalsContact C-N 3.28Å; H1029-R1031 PolarHBondContact O-N 3.14Å; H1029-L1032 PolarHBondContact O-N 2.94Å; H1029-L1032 VanDerWaalsContact O-N 3.08Å; H1029-A1033 WeakPolarHBondContact O-CB 3.18Å; H1029-A1033 PolarHBondContact O-N 3.43Å; H1029-Y1049 AromaticContact CE1-CD2 3.71Å; H1029-Y1049 AromaticContact NE2-CD2 3.93Å; H1029-T1052 VanDerWaalsContact ND1-CG2 3.34Å; H1029-T1052 WeakPolarHBondContact ND1-CG2 3.45Å; H1029-T1052 WeakPolarHBondContact O-CG2 3.18Å; H1029-V1056 HydrophobicContact CB-CG2 4.34Å
1030	N	96.9	Very high	95.7	Very high	20 Å²	20	20.7 Å²	20.7	11%	0.107	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-36.3	-177.1	-77.5	-5.2	0	0	0	112.5	L956 L957 F959 M1026 R1027 A1034	L956-N1030 HydrophobicContact CD2-CB 4.12Å; L957-N1030 PolarHBondContact N-OD1 3.36Å; L957-N1030 PolarHBondContact O-ND2 2.91Å; L957-N1030 PolarHBondContact O-OD1 3.39Å; F959-N1030 WeakPolarHBondContact CD1-ND2 3.29Å; M1026-N1030 PolarHBondContact O-N 3.36Å; M1026-N1030 PolarHBondContact SD-ND2 3.03Å; R1027-N1030 PolarHBondContact O-N 2.69Å; N1030-A1034 WeakPolarHBondContact O-CB 3.4Å; N1030-A1034 PolarHBondContact O-N 3.34Å
1031	R	96.6	Very high	95.2	Very high	37 Å²	37	25.4 Å²	25.4	14%	0.14	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-49	173	-176.5	-168.8	72.6	95.3	-25.3	111.7	R1027 Q1028 H1029 Q1035 D1343	R1027-R1031 WeakPolarHBondContact O-CB 3.37Å; R1027-R1031 PolarHBondContact O-N 3.01Å; Q1028-R1031 VanDerWaalsContact OE1-NH2 3.17Å; H1029-R1031 VanDerWaalsContact C-N 3.28Å; H1029-R1031 PolarHBondContact O-N 3.14Å; R1031-Q1035 VanDerWaalsContact NH1-NE2 3.2Å; R1031-Q1035 WeakPolarHBondContact O-CG 3.3Å; R1031-Q1035 PolarHBondContact O-N 3.41Å; R1031-Q1035 VanDerWaalsContact O-N 3.13Å; R1031-D1343 IonicContact CZ-OD2 3.46Å; R1031-D1343 IonicContact NH1-OD2 3.6Å; R1031-D1343 PolarHBondContact NH1-OD2 3.27Å; R1031-D1343 IonicContact NH2-OD2 3.81Å; R1031-D1343 PolarHBondContact NH2-OD2 2.78Å
1032	L	97	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.3	-41.9	-178.6	-71.2	179.7	0	0	0	111.7	Q1028 H1029 A1034 Q1035 M1036 T1052 I1055 V1056 F1344 L1346	Q1028-L1032 HydrophobicContact CG-CD1 4.36Å; Q1028-L1032 WeakPolarHBondContact O-CB 3.48Å; Q1028-L1032 VanDerWaalsContact O-CG 3.31Å; Q1028-L1032 WeakPolarHBondContact O-CG 3.42Å; Q1028-L1032 PolarHBondContact O-N 2.91Å; Q1028-L1032 VanDerWaalsContact O-N 3.11Å; H1029-L1032 PolarHBondContact O-N 2.94Å; H1029-L1032 VanDerWaalsContact O-N 3.08Å; L1032-A1034 PolarHBondContact O-N 2.81Å; L1032-Q1035 CarbonylContact O-C 3.15Å; L1032-Q1035 PolarHBondContact O-N 3.29Å; L1032-Q1035 VanDerWaalsContact O-N 3.15Å; L1032-M1036 WeakPolarHBondContact O-CB 3.46Å; L1032-M1036 PolarHBondContact O-N 2.88Å; L1032-T1052 HydrophobicContact CB-CG2 3.61Å; L1032-I1055 HydrophobicContact CD1-CG2 3.82Å; L1032-V1056 HydrophobicContact CD1-CG2 3.99Å; L1032-F1344 HydrophobicContact CD1-CZ 4.26Å; L1032-F1344 HydrophobicContact CD2-CE1 3.9Å; L1032-F1344 HydrophobicContact CD2-CZ 3.56Å; L1032-L1346 HydrophobicContact CD2-CD1 3.96Å
1033	A	96.1	Very high	94.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-46	175.9	0	0	0	0	0	111.6	L956 H1029 Q1035 M1036 L1037 I1048 T1052	L956-A1033 HydrophobicContact CD2-CB 3.87Å; H1029-A1033 WeakPolarHBondContact O-CB 3.18Å; H1029-A1033 PolarHBondContact O-N 3.43Å; A1033-Q1035 VanDerWaalsContact C-N 3.3Å; A1033-Q1035 PolarHBondContact O-N 3.37Å; A1033-M1036 PolarHBondContact O-N 2.87Å; A1033-L1037 PolarHBondContact O-N 2.94Å; A1033-I1048 HydrophobicContact CB-CG2 3.82Å; A1033-T1052 HydrophobicContact CB-CG2 4.15Å
1034	A	93.5	Very high	94	Very high	45 Å²	45	34.5 Å²	34.5	37%	0.372	17%	0.173	S	C	.	.	H	α-helix	trans	-64.9	-30	175.8	0	0	0	0	0	113.5	N1030 L1032 R1038	N1030-A1034 WeakPolarHBondContact O-CB 3.4Å; N1030-A1034 PolarHBondContact O-N 3.34Å; L1032-A1034 PolarHBondContact O-N 2.81Å; A1034-R1038 PolarHBondContact O-NE 2.83Å
1035	Q	94.3	Very high	93.6	Very high	53 Å²	53	34.7 Å²	34.7	25%	0.248	18%	0.175	C	C	.	.	H	α-helix	trans	-75.2	-40.9	171.6	-73.3	176.9	-6.1	0	0	111.7	R1031 L1032 A1033 L1037 R1038 V1039 L1346	R1031-Q1035 VanDerWaalsContact NH1-NE2 3.2Å; R1031-Q1035 WeakPolarHBondContact O-CG 3.3Å; R1031-Q1035 PolarHBondContact O-N 3.41Å; R1031-Q1035 VanDerWaalsContact O-N 3.13Å; L1032-Q1035 CarbonylContact O-C 3.15Å; L1032-Q1035 PolarHBondContact O-N 3.29Å; L1032-Q1035 VanDerWaalsContact O-N 3.15Å; A1033-Q1035 VanDerWaalsContact C-N 3.3Å; A1033-Q1035 PolarHBondContact O-N 3.37Å; Q1035-L1037 PolarHBondContact O-N 2.98Å; Q1035-R1038 VanDerWaalsContact CG-NH2 3.29Å; Q1035-R1038 WeakPolarHBondContact O-CB 3.15Å; Q1035-R1038 PolarHBondContact O-N 2.91Å; Q1035-R1038 VanDerWaalsContact O-N 3.11Å; Q1035-V1039 WeakPolarHBondContact O-CG2 3.48Å; Q1035-V1039 PolarHBondContact O-N 2.96Å; Q1035-V1039 VanDerWaalsContact O-N 3.08Å; Q1035-L1346 HydrophobicContact CB-CD1 3.44Å; Q1035-L1346 VanDerWaalsContact CB-CD1 3.44Å; Q1035-L1346 HydrophobicContact CG-CD1 4.43Å
1036	M	93.1	Very high	93.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-42.8	178.6	-167.4	64.2	75.6	0	0	111.5	L1032 A1033 R1038 V1039 N1040 W1043 I1048 I1055 L1346 W1349	L1032-M1036 WeakPolarHBondContact O-CB 3.46Å; L1032-M1036 PolarHBondContact O-N 2.88Å; A1033-M1036 PolarHBondContact O-N 2.87Å; M1036-R1038 PolarHBondContact O-N 3.17Å; M1036-V1039 PolarHBondContact O-N 3.02Å; M1036-V1039 VanDerWaalsContact O-N 3.09Å; M1036-N1040 PolarHBondContact O-N 2.79Å; M1036-N1040 PolarHBondContact SD-ND2 3.4Å; M1036-W1043 HydrophobicContact CE-CZ3 4.42Å; M1036-W1043 HydrophobicContact CG-CE3 3.84Å; M1036-W1043 HydrophobicContact CG-CZ3 3.61Å; M1036-W1043 HydrophobicContact SD-CE3 4.3Å; M1036-W1043 HydrophobicContact SD-CH2 4.16Å; M1036-W1043 HydrophobicContact SD-CZ3 3.56Å; M1036-W1043 VanDerWaalsContact SD-CZ3 3.56Å; M1036-I1048 HydrophobicContact CB-CG2 4.38Å; M1036-I1055 HydrophobicContact CE-CD1 3.48Å; M1036-I1055 VanDerWaalsContact CE-CD1 3.48Å; M1036-L1346 HydrophobicContact CE-CD2 3.74Å; M1036-W1349 HydrophobicContact CE-CB 3.83Å; M1036-W1349 HydrophobicContact CE-CG 3.8Å; M1036-W1349 HydrophobicContact SD-CB 3.77Å; M1036-W1349 HydrophobicContact SD-CG 4.37Å
1037	L	90.8	Very high	93.1	Very high	47 Å²	47	40.3 Å²	40.3	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-57.5	-35.8	173.9	-178.5	62.6	0	0	0	112.2	H954 A1033 Q1035 N1040 P1041 I1048	H954-L1037 HydrophobicContact CB-CD2 4.19Å; A1033-L1037 PolarHBondContact O-N 2.94Å; Q1035-L1037 PolarHBondContact O-N 2.98Å; L1037-N1040 CarbonylContact O-C 3.6Å; L1037-P1041 WeakPolarHBondContact O-CA 3.46Å; L1037-P1041 VanDerWaalsContact O-N 3.13Å; L1037-I1048 HydrophobicContact CB-CD1 3.93Å; L1037-I1048 HydrophobicContact CD1-CD1 3.47Å; L1037-I1048 VanDerWaalsContact CD1-CD1 3.47Å; L1037-I1048 HydrophobicContact CG-CD1 4.25Å
1038	R	90.7	Very high	93	Very high	183 Å²	183	39.7 Å²	39.7	69%	0.691	20%	0.198	S	C	*	.	H	α-helix	trans	-72.5	-35.3	175.8	-72.5	-177	-74.6	-168.2	-3.7	112.9	A1034 Q1035 M1036	A1034-R1038 PolarHBondContact O-NE 2.83Å; Q1035-R1038 VanDerWaalsContact CG-NH2 3.29Å; Q1035-R1038 WeakPolarHBondContact O-CB 3.15Å; Q1035-R1038 PolarHBondContact O-N 2.91Å; Q1035-R1038 VanDerWaalsContact O-N 3.11Å; M1036-R1038 PolarHBondContact O-N 3.17Å
1039	V	90.3	Very high	93	Very high	32 Å²	32	39.7 Å²	39.7	19%	0.194	20%	0.198	C	C	.	.	H	α-helix	trans	-76.1	-37.2	178.3	175.6	0	0	0	0	111.2	Q1035 M1036 L1346 Q1350	Q1035-V1039 WeakPolarHBondContact O-CG2 3.48Å; Q1035-V1039 PolarHBondContact O-N 2.96Å; Q1035-V1039 VanDerWaalsContact O-N 3.08Å; M1036-V1039 PolarHBondContact O-N 3.02Å; M1036-V1039 VanDerWaalsContact O-N 3.09Å; V1039-L1346 HydrophobicContact CG2-CB 4.38Å; V1039-Q1350 HydrophobicContact CG1-CB 3.69Å; V1039-Q1350 HydrophobicContact CG1-CG 4.11Å
1040	N	91.2	Very high	93	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.			trans	-129	70.4	-176.8	-65.5	-55.5	0	0	0	110.9	M1036 L1037 H1042 W1043 W1349 Q1350 Q1351	M1036-N1040 PolarHBondContact O-N 2.79Å; M1036-N1040 PolarHBondContact SD-ND2 3.4Å; L1037-N1040 CarbonylContact O-C 3.6Å; N1040-H1042 PolarHBondContact O-N 3.05Å; N1040-W1043 HydrophobicContact CB-CB 4.38Å; N1040-W1043 HydrophobicContact CB-CD2 3.54Å; N1040-W1043 HydrophobicContact CB-CE3 3.91Å; N1040-W1043 HydrophobicContact CB-CG 3.76Å; N1040-W1043 HydrophobicContact CB-CZ2 4.34Å; N1040-W1043 HydrophobicContact CB-CZ3 4.44Å; N1040-W1043 WeakPolarHBondContact ND2-CH2 2.89Å; N1040-W1043 PolarHBondContact O-N 2.92Å; N1040-W1043 VanDerWaalsContact O-N 3.1Å; N1040-W1349 PolarHBondContact ND2-O 3.47Å; N1040-Q1350 WeakPolarHBondContact OD1-CA 3.33Å; N1040-Q1351 PolarHBondContact OD1-N 2.57Å
1041	P	88	Confident	93	Very high	100 Å²	100	40.2 Å²	40.2	65%	0.649	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.3	-177.2	28	-36.7	0	0	0	114.4	L1037	L1037-P1041 WeakPolarHBondContact O-CA 3.46Å; L1037-P1041 VanDerWaalsContact O-N 3.13Å
1042	H	86.8	Confident	93	Very high	85 Å²	85	38.4 Å²	38.4	39%	0.394	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.1	177.8	65.3	-81.4	0	0	0	113.1	N1040 Q1351	N1040-H1042 PolarHBondContact O-N 3.05Å; H1042-Q1351 PolarHBondContact CE1-O 2.82Å; H1042-Q1351 VanDerWaalsContact CE1-O 3.22Å
1043	W	90.9	Very high	93.1	Very high	23 Å²	23	39 Å²	39	9%	0.087	20%	0.195	C	C	.	.	S	Bend	trans	-80	139.4	174.6	-71.4	1.2	0	0	0	110.3	M1036 N1040 K1047 I1048 E1051 Q1351	M1036-W1043 HydrophobicContact CE-CZ3 4.42Å; M1036-W1043 HydrophobicContact CG-CE3 3.84Å; M1036-W1043 HydrophobicContact CG-CZ3 3.61Å; M1036-W1043 HydrophobicContact SD-CE3 4.3Å; M1036-W1043 HydrophobicContact SD-CH2 4.16Å; M1036-W1043 HydrophobicContact SD-CZ3 3.56Å; M1036-W1043 VanDerWaalsContact SD-CZ3 3.56Å; N1040-W1043 HydrophobicContact CB-CB 4.38Å; N1040-W1043 HydrophobicContact CB-CD2 3.54Å; N1040-W1043 HydrophobicContact CB-CE3 3.91Å; N1040-W1043 HydrophobicContact CB-CG 3.76Å; N1040-W1043 HydrophobicContact CB-CZ2 4.34Å; N1040-W1043 HydrophobicContact CB-CZ3 4.44Å; N1040-W1043 WeakPolarHBondContact ND2-CH2 2.89Å; N1040-W1043 PolarHBondContact O-N 2.92Å; N1040-W1043 VanDerWaalsContact O-N 3.1Å; W1043-K1047 HydrophobicContact CB-CB 4.2Å; W1043-K1047 HydrophobicContact CB-CG 3.94Å; W1043-K1047 HydrophobicContact CD2-CD 4.45Å; W1043-K1047 HydrophobicContact CD2-CG 3.54Å; W1043-K1047 HydrophobicContact CE3-CG 3.79Å; W1043-K1047 HydrophobicContact CG-CB 4.41Å; W1043-K1047 HydrophobicContact CG-CG 3.62Å; W1043-I1048 HydrophobicContact CB-CD1 4.27Å; W1043-I1048 HydrophobicContact CB-CG1 3.84Å; W1043-I1048 HydrophobicContact CE3-CG1 4.31Å; W1043-E1051 HydrophobicContact CE3-CG 4.33Å; W1043-E1051 HydrophobicContact CH2-CB 4.46Å; W1043-E1051 HydrophobicContact CH2-CG 3.87Å; W1043-E1051 HydrophobicContact CZ3-CB 3.84Å; W1043-E1051 HydrophobicContact CZ3-CG 3.57Å; W1043-Q1351 HydrophobicContact CZ2-CB 4.23Å
1044	D	89.6	Confident	93.2	Very high	84 Å²	84	41 Å²	41	45%	0.449	20%	0.204	S	C	.	.			trans	-74.8	170.2	169.4	61.5	29.5	0	0	0	111.6	E1046 K1047 I1048	D1044-E1046 VanDerWaalsContact C-N 3.29Å; D1044-E1046 PolarHBondContact O-N 2Å; D1044-E1046 PolarHBondContact OD1-N 2.74Å; D1044-K1047 PolarHBondContact O-N 3.33Å; D1044-K1047 WeakPolarHBondContact OD1-CB 3.47Å; D1044-K1047 PolarHBondContact OD1-N 3.38Å; D1044-I1048 WeakPolarHBondContact O-CG1 3.47Å; D1044-I1048 PolarHBondContact O-N 3.37Å
1045	G	89	Confident	93.4	Very high	4 Å²	4	38.8 Å²	38.8	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-30.8	-178.4	0	0	0	0	0	113.5	D953 G955 Y1049	D953-G1045 WeakPolarHBondContact O-CA 3.48Å; D953-G1045 PolarHBondContact O-N 3Å; D953-G1045 WeakPolarHBondContact OD1-CA 3.04Å; D953-G1045 PolarHBondContact OD1-N 3.08Å; G955-G1045 WeakPolarHBondContact CA-O 3.36Å; G1045-Y1049 WeakPolarHBondContact O-CB 3.45Å; G1045-Y1049 PolarHBondContact O-N 3.07Å
1046	E	92.9	Very high	93.6	Very high	75 Å²	75	36.3 Å²	36.3	35%	0.35	18%	0.175	S	C	.	.	H	α-helix	trans	-68.2	-47	175.8	177.8	59.8	-152.1	0	0	111	R948 D1044 Y1049 Q1050	R948-E1046 IonicContact CZ-OE2 2.69Å; R948-E1046 IonicContact NH1-OE1 3.29Å; R948-E1046 IonicContact NH1-OE2 2.7Å; R948-E1046 PolarHBondContact NH1-OE2 2.93Å; R948-E1046 IonicContact NH2-OE2 3.05Å; R948-E1046 PolarHBondContact NH2-OE2 3.19Å; D1044-E1046 VanDerWaalsContact C-N 3.29Å; D1044-E1046 PolarHBondContact O-N 2Å; D1044-E1046 PolarHBondContact OD1-N 2.74Å; E1046-Y1049 PolarHBondContact O-N 3.07Å; E1046-Q1050 VanDerWaalsContact O-CG 3.32Å; E1046-Q1050 WeakPolarHBondContact O-CG 3.34Å; E1046-Q1050 PolarHBondContact O-N 2.95Å; E1046-Q1050 WeakPolarHBondContact OE1-CG 3.45Å; E1046-Q1050 PolarHBondContact OE1-NE2 2.79Å
1047	K	93.7	Very high	93.9	Very high	46 Å²	46	36.5 Å²	36.5	20%	0.2	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-43.6	177	178.3	61.8	172.1	175.7	0	111.3	Y763 W1043 D1044 Q1050 E1051	Y763-K1047 VanDerWaalsContact OH-CD 3.31Å; Y763-K1047 WeakPolarHBondContact OH-CD 3.36Å; Y763-K1047 PolarHBondContact OH-NZ 3.07Å; W1043-K1047 HydrophobicContact CB-CB 4.2Å; W1043-K1047 HydrophobicContact CB-CG 3.94Å; W1043-K1047 HydrophobicContact CD2-CD 4.45Å; W1043-K1047 HydrophobicContact CD2-CG 3.54Å; W1043-K1047 HydrophobicContact CE3-CG 3.79Å; W1043-K1047 HydrophobicContact CG-CB 4.41Å; W1043-K1047 HydrophobicContact CG-CG 3.62Å; D1044-K1047 PolarHBondContact O-N 3.33Å; D1044-K1047 WeakPolarHBondContact OD1-CB 3.47Å; D1044-K1047 PolarHBondContact OD1-N 3.38Å; K1047-Q1050 PolarHBondContact O-N 2.92Å; K1047-E1051 HydrophobicContact CD-CG 3.99Å; K1047-E1051 IonicContact NZ-OE1 4Å; K1047-E1051 PolarHBondContact NZ-OE1 3.23Å; K1047-E1051 WeakPolarHBondContact O-CB 3.34Å; K1047-E1051 WeakPolarHBondContact O-CG 3.5Å; K1047-E1051 PolarHBondContact O-N 3.36Å
1048	I	95.8	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-45.8	175.6	-68.3	164.9	0	0	0	110.5	H954 A1033 M1036 L1037 W1043 D1044 T1052	H954-I1048 VanDerWaalsContact O-CG2 3.27Å; H954-I1048 WeakPolarHBondContact O-CG2 3.33Å; A1033-I1048 HydrophobicContact CB-CG2 3.82Å; M1036-I1048 HydrophobicContact CB-CG2 4.38Å; L1037-I1048 HydrophobicContact CB-CD1 3.93Å; L1037-I1048 HydrophobicContact CD1-CD1 3.47Å; L1037-I1048 VanDerWaalsContact CD1-CD1 3.47Å; L1037-I1048 HydrophobicContact CG-CD1 4.25Å; W1043-I1048 HydrophobicContact CB-CD1 4.27Å; W1043-I1048 HydrophobicContact CB-CG1 3.84Å; W1043-I1048 HydrophobicContact CE3-CG1 4.31Å; D1044-I1048 WeakPolarHBondContact O-CG1 3.47Å; D1044-I1048 PolarHBondContact O-N 3.37Å; I1048-T1052 WeakPolarHBondContact O-CB 3.39Å; I1048-T1052 PolarHBondContact O-N 3.05Å; I1048-T1052 PolarHBondContact O-OG1 3.37Å
1049	Y	97.2	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.7	-51.9	177	170.5	-103.4	0	0	0	111.5	Y937 S944 R948 L957 H1029 G1045 E1046 T1052 R1053	Y937-Y1049 AromaticContact CD1-CE2 3.81Å; Y937-Y1049 HydrophobicContact CD1-CE2 3.81Å; Y937-Y1049 AromaticContact CD1-CZ 3.98Å; Y937-Y1049 WeakPolarHBondContact CD1-OH 3.37Å; Y937-Y1049 HydrophobicContact CE1-CE2 4.01Å; S944-Y1049 PolarHBondContact OG-OH 2.96Å; R948-Y1049 HydrophobicContact CG-CD2 4.02Å; R948-Y1049 HydrophobicContact CG-CE2 3.61Å; L957-Y1049 HydrophobicContact CD2-CE2 4.09Å; H1029-Y1049 AromaticContact CE1-CD2 3.71Å; H1029-Y1049 AromaticContact NE2-CD2 3.93Å; G1045-Y1049 WeakPolarHBondContact O-CB 3.45Å; G1045-Y1049 PolarHBondContact O-N 3.07Å; E1046-Y1049 PolarHBondContact O-N 3.07Å; Y1049-T1052 PolarHBondContact O-N 3.46Å; Y1049-R1053 VanDerWaalsContact O-CB 3.23Å; Y1049-R1053 WeakPolarHBondContact O-CB 3.39Å; Y1049-R1053 PolarHBondContact O-N 3.19Å
1050	Q	97.6	Very high	95	Very high	14 Å²	14	24.2 Å²	24.2	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-42.2	-176	-67.4	-66.9	-6.4	0	0	113	Y763 E1046 K1047 K1054	Y763-Q1050 HydrophobicContact CD1-CB 3.72Å; Y763-Q1050 HydrophobicContact CD2-CB 4.15Å; Y763-Q1050 HydrophobicContact CD2-CG 4.31Å; Y763-Q1050 HydrophobicContact CE1-CB 3.72Å; Y763-Q1050 HydrophobicContact CE2-CB 4.14Å; Y763-Q1050 HydrophobicContact CG-CB 3.95Å; Y763-Q1050 HydrophobicContact CG-CG 4.32Å; E1046-Q1050 VanDerWaalsContact O-CG 3.32Å; E1046-Q1050 WeakPolarHBondContact O-CG 3.34Å; E1046-Q1050 PolarHBondContact O-N 2.95Å; E1046-Q1050 WeakPolarHBondContact OE1-CG 3.45Å; E1046-Q1050 PolarHBondContact OE1-NE2 2.79Å; K1047-Q1050 PolarHBondContact O-N 2.92Å; Q1050-K1054 WeakPolarHBondContact O-CB 3.49Å; Q1050-K1054 PolarHBondContact O-N 2.83Å
1051	E	97.2	Very high	95.3	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.075	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-40.1	175.9	-68.8	-67.5	163.8	0	0	111.3	Y763 W1043 K1047 K1054 I1055	Y763-E1051 HydrophobicContact CE1-CG 4.36Å; Y763-E1051 WeakPolarHBondContact CE1-OE1 3.34Å; Y763-E1051 PolarHBondContact OH-OE1 3.06Å; W1043-E1051 HydrophobicContact CE3-CG 4.33Å; W1043-E1051 HydrophobicContact CH2-CB 4.46Å; W1043-E1051 HydrophobicContact CH2-CG 3.87Å; W1043-E1051 HydrophobicContact CZ3-CB 3.84Å; W1043-E1051 HydrophobicContact CZ3-CG 3.57Å; K1047-E1051 HydrophobicContact CD-CG 3.99Å; K1047-E1051 IonicContact NZ-OE1 4Å; K1047-E1051 PolarHBondContact NZ-OE1 3.23Å; K1047-E1051 WeakPolarHBondContact O-CB 3.34Å; K1047-E1051 WeakPolarHBondContact O-CG 3.5Å; K1047-E1051 PolarHBondContact O-N 3.36Å; E1051-K1054 WeakPolarHBondContact O-CB 3.43Å; E1051-K1054 PolarHBondContact O-N 3.22Å; E1051-I1055 VanDerWaalsContact O-CG1 3.31Å; E1051-I1055 WeakPolarHBondContact O-CG1 3.47Å; E1051-I1055 PolarHBondContact O-N 2.92Å
1052	T	98	Very high	95.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.4	-45.4	177.3	-55.1	0	0	0	0	111.5	H1029 L1032 A1033 I1048 Y1049 K1054 I1055 V1056	H1029-T1052 VanDerWaalsContact ND1-CG2 3.34Å; H1029-T1052 WeakPolarHBondContact ND1-CG2 3.45Å; H1029-T1052 WeakPolarHBondContact O-CG2 3.18Å; L1032-T1052 HydrophobicContact CB-CG2 3.61Å; A1033-T1052 HydrophobicContact CB-CG2 4.15Å; I1048-T1052 WeakPolarHBondContact O-CB 3.39Å; I1048-T1052 PolarHBondContact O-N 3.05Å; I1048-T1052 PolarHBondContact O-OG1 3.37Å; Y1049-T1052 PolarHBondContact O-N 3.46Å; T1052-K1054 VanDerWaalsContact C-N 3.29Å; T1052-K1054 PolarHBondContact O-N 3.11Å; T1052-I1055 PolarHBondContact O-N 3.12Å; T1052-V1056 WeakPolarHBondContact O-CG2 3.3Å; T1052-V1056 PolarHBondContact O-N 2.93Å
1053	R	98.2	Very high	96.4	Very high	11 Å²	11	16 Å²	16	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-55.8	-44.1	173.2	167.9	170.7	178.9	-123.8	1.6	111.4	R764 S765 Y937 Y1049 V1056 G1057	R764-R1053 PolarHBondContact O-NH1 3.1Å; S765-R1053 PolarHBondContact O-NH2 3.3Å; Y937-R1053 HydrophobicContact CD1-CB 4.46Å; Y937-R1053 HydrophobicContact CD1-CG 4.33Å; Y937-R1053 HydrophobicContact CD2-CB 4.36Å; Y937-R1053 HydrophobicContact CD2-CG 3.63Å; Y937-R1053 HydrophobicContact CE1-CB 4.07Å; Y937-R1053 HydrophobicContact CE1-CG 4.33Å; Y937-R1053 HydrophobicContact CE2-CB 3.95Å; Y937-R1053 HydrophobicContact CE2-CG 3.62Å; Y937-R1053 HydrophobicContact CG-CG 4.03Å; Y1049-R1053 VanDerWaalsContact O-CB 3.23Å; Y1049-R1053 WeakPolarHBondContact O-CB 3.39Å; Y1049-R1053 PolarHBondContact O-N 3.19Å; R1053-V1056 PolarHBondContact O-N 2.85Å; R1053-G1057 PolarHBondContact O-N 2.87Å
1054	K	98.2	Very high	96.7	Very high	42 Å²	42	14.9 Å²	14.9	18%	0.183	7%	0.073	C	C	.	.	H	α-helix	trans	-62.6	-42.8	177.3	-173.4	-177.5	174.4	175	0	112.2	K762 Y763 Q1050 E1051 T1052 A1058 V1290 F1291	K762-K1054 PolarHBondContact O-NZ 2.81Å; Y763-K1054 HydrophobicContact CD1-CD 4.4Å; Y763-K1054 HydrophobicContact CE1-CD 4.44Å; Q1050-K1054 WeakPolarHBondContact O-CB 3.49Å; Q1050-K1054 PolarHBondContact O-N 2.83Å; E1051-K1054 WeakPolarHBondContact O-CB 3.43Å; E1051-K1054 PolarHBondContact O-N 3.22Å; T1052-K1054 VanDerWaalsContact C-N 3.29Å; T1052-K1054 PolarHBondContact O-N 3.11Å; K1054-A1058 WeakPolarHBondContact O-CB 3.23Å; K1054-A1058 PolarHBondContact O-N 2.82Å; K1054-A1058 VanDerWaalsContact O-N 3.1Å; K1054-V1290 WeakPolarHBondContact CE-O 3.35Å; K1054-V1290 PolarHBondContact NZ-O 2.88Å; K1054-F1291 HydrophobicContact CD-CE1 4.09Å; K1054-F1291 HydrophobicContact CD-CZ 4.17Å; K1054-F1291 HydrophobicContact CG-CE1 4.02Å; K1054-F1291 HydrophobicContact CG-CE2 4.48Å; K1054-F1291 HydrophobicContact CG-CZ 3.66Å
1055	I	98.2	Very high	97.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.3	-48.8	174.6	-67.8	165.1	0	0	0	110.6	L1032 M1036 E1051 T1052 G1057 A1058 Q1059 F1291 F1344 L1346 W1349	L1032-I1055 HydrophobicContact CD1-CG2 3.82Å; M1036-I1055 HydrophobicContact CE-CD1 3.48Å; M1036-I1055 VanDerWaalsContact CE-CD1 3.48Å; E1051-I1055 VanDerWaalsContact O-CG1 3.31Å; E1051-I1055 WeakPolarHBondContact O-CG1 3.47Å; E1051-I1055 PolarHBondContact O-N 2.92Å; T1052-I1055 PolarHBondContact O-N 3.12Å; I1055-G1057 PolarHBondContact O-N 2.89Å; I1055-A1058 CarbonylContact O-C 3.5Å; I1055-A1058 WeakPolarHBondContact O-CA 3.38Å; I1055-A1058 WeakPolarHBondContact O-CB 3.44Å; I1055-A1058 PolarHBondContact O-N 2.86Å; I1055-A1058 VanDerWaalsContact O-N 3.08Å; I1055-Q1059 HydrophobicContact CG2-CG 4.23Å; I1055-Q1059 WeakPolarHBondContact O-CG 3.36Å; I1055-Q1059 PolarHBondContact O-N 3.45Å; I1055-F1291 HydrophobicContact CG1-CE1 4.35Å; I1055-F1344 HydrophobicContact CG2-CE2 4.08Å; I1055-F1344 HydrophobicContact CG2-CZ 3.71Å; I1055-L1346 HydrophobicContact CD1-CD2 3.85Å; I1055-W1349 HydrophobicContact CD1-CD2 4.21Å; I1055-W1349 HydrophobicContact CD1-CG 4.5Å; I1055-W1349 HydrophobicContact CD1-CZ2 4.04Å; I1055-W1349 HydrophobicContact CG1-CZ2 3.81Å
1056	V	98.5	Very high	97.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.3	-44.8	-179.6	167.6	0	0	0	0	111.7	A933 Y937 W1025 H1029 L1032 T1052 R1053 A1058 Q1059 M1060	A933-V1056 HydrophobicContact CB-CG1 4.02Å; Y937-V1056 HydrophobicContact CE2-CB 4.33Å; Y937-V1056 HydrophobicContact CE2-CG1 4.07Å; Y937-V1056 WeakPolarHBondContact OH-CB 3.03Å; Y937-V1056 WeakPolarHBondContact OH-CG2 3.07Å; W1025-V1056 HydrophobicContact CE3-CG1 3.73Å; W1025-V1056 HydrophobicContact CZ3-CG1 3.9Å; H1029-V1056 HydrophobicContact CB-CG2 4.34Å; L1032-V1056 HydrophobicContact CD1-CG2 3.99Å; T1052-V1056 WeakPolarHBondContact O-CG2 3.3Å; T1052-V1056 PolarHBondContact O-N 2.93Å; R1053-V1056 PolarHBondContact O-N 2.85Å; V1056-A1058 VanDerWaalsContact C-N 3.33Å; V1056-A1058 PolarHBondContact O-N 2.75Å; V1056-Q1059 WeakPolarHBondContact O-CB 3.48Å; V1056-Q1059 PolarHBondContact O-N 3.18Å; V1056-M1060 HydrophobicContact CG1-SD 4.47Å; V1056-M1060 PolarHBondContact O-N 2.91Å
1057	G	98.3	Very high	97.7	Very high	5 Å²	5	14.3 Å²	14.3	5%	0.052	7%	0.067	C	C	.	.	H	α-helix	trans	-58.3	-43.5	173.2	0	0	0	0	0	112.3	R1053 I1055 Q1059 M1060 Q1061	R1053-G1057 PolarHBondContact O-N 2.87Å; I1055-G1057 PolarHBondContact O-N 2.89Å; G1057-Q1059 PolarHBondContact O-N 3.33Å; G1057-M1060 PolarHBondContact O-N 2.74Å; G1057-Q1061 WeakPolarHBondContact O-CG 3.29Å; G1057-Q1061 PolarHBondContact O-N 3.25Å
1058	A	98.5	Very high	98	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.017	6%	0.057	C	C	.	.	H	α-helix	trans	-64.7	-38.2	176.4	0	0	0	0	0	113.1	K1054 I1055 V1056 Q1061 H1062 Y1285 F1291 I1299	K1054-A1058 WeakPolarHBondContact O-CB 3.23Å; K1054-A1058 PolarHBondContact O-N 2.82Å; K1054-A1058 VanDerWaalsContact O-N 3.1Å; I1055-A1058 CarbonylContact O-C 3.5Å; I1055-A1058 WeakPolarHBondContact O-CA 3.38Å; I1055-A1058 WeakPolarHBondContact O-CB 3.44Å; I1055-A1058 PolarHBondContact O-N 2.86Å; I1055-A1058 VanDerWaalsContact O-N 3.08Å; V1056-A1058 VanDerWaalsContact C-N 3.33Å; V1056-A1058 PolarHBondContact O-N 2.75Å; A1058-Q1061 PolarHBondContact O-N 2.96Å; A1058-H1062 WeakPolarHBondContact O-CB 3.49Å; A1058-H1062 PolarHBondContact O-N 3.23Å; A1058-Y1285 HydrophobicContact CB-CG 4.47Å; A1058-F1291 HydrophobicContact CB-CE2 3.58Å; A1058-F1291 HydrophobicContact CB-CZ 3.75Å; A1058-I1299 HydrophobicContact CB-CD1 4.04Å; A1058-I1299 HydrophobicContact CB-CG1 4.47Å; A1058-I1299 HydrophobicContact CB-CG2 3.99Å
1059	Q	98.1	Very high	98.1	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-60.1	-45.8	172.9	-70	-167.1	-54.4	0	0	111.1	W1025 I1055 V1056 G1057 H1062 I1063 T1302	W1025-Q1059 HydrophobicContact CH2-CB 4.09Å; W1025-Q1059 HydrophobicContact CZ3-CB 4.2Å; I1055-Q1059 HydrophobicContact CG2-CG 4.23Å; I1055-Q1059 WeakPolarHBondContact O-CG 3.36Å; I1055-Q1059 PolarHBondContact O-N 3.45Å; V1056-Q1059 WeakPolarHBondContact O-CB 3.48Å; V1056-Q1059 PolarHBondContact O-N 3.18Å; G1057-Q1059 PolarHBondContact O-N 3.33Å; Q1059-H1062 PolarHBondContact O-N 3.03Å; Q1059-I1063 WeakPolarHBondContact O-CB 3.48Å; Q1059-I1063 WeakPolarHBondContact O-CD1 3.34Å; Q1059-I1063 VanDerWaalsContact O-CG1 3.24Å; Q1059-I1063 WeakPolarHBondContact O-CG1 3.35Å; Q1059-I1063 PolarHBondContact O-N 2.95Å; Q1059-T1302 HydrophobicContact CB-CG2 3.86Å; Q1059-T1302 HydrophobicContact CG-CG2 3.71Å; Q1059-T1302 VanDerWaalsContact NE2-CG2 3.3Å; Q1059-T1302 PolarHBondContact NE2-OG1 3.38Å
1060	M	98.5	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-40.4	177.4	-72.4	179.6	55.6	0	0	112.5	W843 F846 D850 I931 A933 W1025 V1056 G1057 T1064	W843-M1060 HydrophobicContact CH2-CG 4.15Å; F846-M1060 HydrophobicContact CD1-CE 4.32Å; F846-M1060 HydrophobicContact CE1-CE 3.7Å; F846-M1060 HydrophobicContact CE1-SD 4.13Å; F846-M1060 HydrophobicContact CZ-CE 4.47Å; D850-M1060 WeakPolarHBondContact OD2-CE 3.23Å; I931-M1060 HydrophobicContact CG2-CB 4.08Å; A933-M1060 HydrophobicContact CB-CE 4.31Å; A933-M1060 HydrophobicContact CB-SD 3.46Å; A933-M1060 WeakPolarHBondContact CB-SD 3.37Å; W1025-M1060 HydrophobicContact CD2-CG 4.45Å; W1025-M1060 HydrophobicContact CD2-SD 4.41Å; W1025-M1060 HydrophobicContact CE3-CG 4.28Å; W1025-M1060 HydrophobicContact CE3-SD 4.4Å; W1025-M1060 HydrophobicContact CH2-CG 3.67Å; W1025-M1060 HydrophobicContact CZ2-CG 3.88Å; W1025-M1060 HydrophobicContact CZ3-CG 3.88Å; V1056-M1060 HydrophobicContact CG1-SD 4.47Å; V1056-M1060 PolarHBondContact O-N 2.91Å; G1057-M1060 PolarHBondContact O-N 2.74Å; M1060-T1064 VanDerWaalsContact O-CB 3.23Å; M1060-T1064 WeakPolarHBondContact O-CB 3.25Å; M1060-T1064 PolarHBondContact O-N 2.92Å; M1060-T1064 PolarHBondContact O-OG1 2.74Å
1061	Q	98.7	Very high	98.1	Very high	3 Å²	3	15 Å²	15	1%	0.014	7%	0.073	C	C	.	.	H	α-helix	trans	-60.5	-49.5	174.2	-73.1	-179.7	-0	0	0	111.7	R764 I931 G1057 A1058 T1064 F1065 D1281 W1284 Y1285	R764-Q1061 VanDerWaalsContact NH2-NE2 3.11Å; I931-Q1061 HydrophobicContact CB-CG 3.89Å; I931-Q1061 HydrophobicContact CG2-CG 3.91Å; I931-Q1061 WeakPolarHBondContact O-CG 3.47Å; I931-Q1061 PolarHBondContact O-NE2 3.31Å; G1057-Q1061 WeakPolarHBondContact O-CG 3.29Å; G1057-Q1061 PolarHBondContact O-N 3.25Å; A1058-Q1061 PolarHBondContact O-N 2.96Å; Q1061-T1064 PolarHBondContact O-N 3.33Å; Q1061-F1065 WeakPolarHBondContact O-CD2 3.36Å; Q1061-F1065 PolarHBondContact O-N 2.65Å; Q1061-D1281 PolarHBondContact NE2-OD2 2.74Å; Q1061-W1284 HydrophobicContact CB-CE3 4.43Å; Q1061-W1284 HydrophobicContact CB-CH2 4.16Å; Q1061-W1284 HydrophobicContact CB-CZ3 3.81Å; Q1061-W1284 HydrophobicContact CG-CE3 4.24Å; Q1061-W1284 HydrophobicContact CG-CZ3 3.88Å; Q1061-Y1285 HydrophobicContact CB-CD1 3.65Å; Q1061-Y1285 HydrophobicContact CB-CE1 4.15Å; Q1061-Y1285 HydrophobicContact CB-CG 4.49Å
1062	H	98.3	Very high	98.1	Very high	10 Å²	10	14.2 Å²	14.2	5%	0.046	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-50.2	179.6	179.4	67.1	0	0	0	112.1	A1058 Q1059 T1064 F1065 E1066 H1067 Y1285 K1300 T1302	A1058-H1062 WeakPolarHBondContact O-CB 3.49Å; A1058-H1062 PolarHBondContact O-N 3.23Å; Q1059-H1062 PolarHBondContact O-N 3.03Å; H1062-T1064 VanDerWaalsContact C-N 3.25Å; H1062-T1064 PolarHBondContact O-N 3.23Å; H1062-F1065 PolarHBondContact O-N 3.31Å; H1062-E1066 VanDerWaalsContact CE1-CG 3.5Å; H1062-E1066 WeakPolarHBondContact CE1-CG 3.4Å; H1062-E1066 WeakPolarHBondContact ND1-CG 3.49Å; H1062-E1066 WeakPolarHBondContact O-CB 3.49Å; H1062-E1066 PolarHBondContact O-N 3.29Å; H1062-H1067 AromaticContact NE2-NE2 3.84Å; H1062-Y1285 HydrophobicContact CB-CE1 4.29Å; H1062-Y1285 HydrophobicContact CB-CE2 4.13Å; H1062-Y1285 AromaticContact ND1-CZ 3.81Å; H1062-Y1285 PolarHBondContact ND1-OH 3.45Å; H1062-Y1285 VanDerWaalsContact ND1-OH 3.16Å; H1062-K1300 PolarHBondContact NE2-O 3.06Å; H1062-T1302 PolarHBondContact CD2-O 2.99Å; H1062-T1302 VanDerWaalsContact CD2-O 3.24Å; H1062-T1302 PolarHBondContact NE2-O 3.02Å
1063	I	98.2	Very high	98.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-56.6	-42.8	176.1	-69.3	164.7	0	0	0	110.6	W843 W1025 Q1059 H1067 W1068 T1302 L1304 F1323	W843-I1063 HydrophobicContact CD2-CG2 4.33Å; W843-I1063 HydrophobicContact CE3-CG2 4.49Å; W843-I1063 HydrophobicContact CH2-CB 4.08Å; W843-I1063 HydrophobicContact CH2-CD1 4.12Å; W843-I1063 HydrophobicContact CH2-CG2 3.7Å; W843-I1063 HydrophobicContact CZ2-CB 3.89Å; W843-I1063 HydrophobicContact CZ2-CG2 3.49Å; W843-I1063 VanDerWaalsContact CZ2-CG2 3.49Å; W843-I1063 HydrophobicContact CZ3-CG2 4.19Å; W1025-I1063 HydrophobicContact CH2-CD1 3.95Å; W1025-I1063 HydrophobicContact CZ2-CD1 4.04Å; Q1059-I1063 WeakPolarHBondContact O-CB 3.48Å; Q1059-I1063 WeakPolarHBondContact O-CD1 3.34Å; Q1059-I1063 VanDerWaalsContact O-CG1 3.24Å; Q1059-I1063 WeakPolarHBondContact O-CG1 3.35Å; Q1059-I1063 PolarHBondContact O-N 2.95Å; I1063-H1067 WeakPolarHBondContact O-CA 3.33Å; I1063-H1067 WeakPolarHBondContact O-CB 3.35Å; I1063-H1067 PolarHBondContact O-N 3.09Å; I1063-H1067 VanDerWaalsContact O-N 3.09Å; I1063-W1068 PolarHBondContact O-N 2.78Å; I1063-T1302 HydrophobicContact CD1-CG2 4.06Å; I1063-T1302 HydrophobicContact CG1-CG2 4.33Å; I1063-L1304 HydrophobicContact CD1-CB 4.21Å; I1063-L1304 HydrophobicContact CG2-CB 4.28Å; I1063-F1323 HydrophobicContact CG2-CE2 4.04Å; I1063-F1323 HydrophobicContact CG2-CZ 3.94Å
1064	T	98.6	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-64.5	-49.2	-179	-62.9	0	0	0	0	112	W843 L847 I931 M1060 Q1061 H1062 W1068 L1069 F1274	W843-T1064 PolarHBondContact NE1-OG1 3.34Å; L847-T1064 HydrophobicContact CD2-CG2 3.56Å; I931-T1064 HydrophobicContact CD1-CG2 3.97Å; M1060-T1064 VanDerWaalsContact O-CB 3.23Å; M1060-T1064 WeakPolarHBondContact O-CB 3.25Å; M1060-T1064 PolarHBondContact O-N 2.92Å; M1060-T1064 PolarHBondContact O-OG1 2.74Å; Q1061-T1064 PolarHBondContact O-N 3.33Å; H1062-T1064 VanDerWaalsContact C-N 3.25Å; H1062-T1064 PolarHBondContact O-N 3.23Å; T1064-W1068 HydrophobicContact CG2-CE3 4.14Å; T1064-W1068 PolarHBondContact O-N 2.96Å; T1064-L1069 HydrophobicContact CG2-CG 4.26Å; T1064-L1069 WeakPolarHBondContact O-CB 3.36Å; T1064-L1069 WeakPolarHBondContact O-CG 3.42Å; T1064-L1069 PolarHBondContact O-N 3.21Å; T1064-F1274 HydrophobicContact CG2-CD1 4.46Å; T1064-F1274 HydrophobicContact CG2-CE1 3.76Å
1065	F	98.4	Very high	98	Very high	9 Å²	9	16.3 Å²	16.3	4%	0.039	9%	0.089	C	C	.	.	I	π-helix	trans	-83.1	-34.7	-172.6	-82.7	-107.6	0	0	0	114.3	I931 Q1061 H1062 L1069 L1081 F1274 R1278 W1284	I931-F1065 HydrophobicContact CD1-CD2 4.43Å; I931-F1065 HydrophobicContact CD1-CE2 3.77Å; Q1061-F1065 WeakPolarHBondContact O-CD2 3.36Å; Q1061-F1065 PolarHBondContact O-N 2.65Å; H1062-F1065 PolarHBondContact O-N 3.31Å; F1065-L1069 HydrophobicContact CB-CD1 4.47Å; F1065-L1069 HydrophobicContact CD1-CD1 3.69Å; F1065-L1069 HydrophobicContact CD2-CD1 4.1Å; F1065-L1069 HydrophobicContact CE1-CD1 3.88Å; F1065-L1069 HydrophobicContact CE2-CD1 4.3Å; F1065-L1069 HydrophobicContact CG-CD1 3.83Å; F1065-L1069 HydrophobicContact CZ-CD1 4.2Å; F1065-L1081 HydrophobicContact CD1-CD2 4.17Å; F1065-L1081 HydrophobicContact CE1-CD2 4.17Å; F1065-F1274 HydrophobicContact CE1-CB 4.47Å; F1065-F1274 AromaticContact CE2-CD1 3.93Å; F1065-F1274 HydrophobicContact CE2-CD1 3.93Å; F1065-F1274 HydrophobicContact CZ-CB 4.22Å; F1065-F1274 AromaticContact CZ-CD1 3.83Å; F1065-F1274 HydrophobicContact CZ-CD1 3.83Å; F1065-F1274 WeakPolarHBondContact CZ-O 3.41Å; F1065-R1278 HydrophobicContact CE1-CB 3.81Å; F1065-R1278 HydrophobicContact CE1-CG 4.11Å; F1065-R1278 HydrophobicContact CZ-CB 3.79Å; F1065-R1278 HydrophobicContact CZ-CG 4.38Å; F1065-W1284 HydrophobicContact CB-CH2 4.12Å; F1065-W1284 AromaticContact CD1-CH2 3.96Å; F1065-W1284 HydrophobicContact CD1-CH2 3.96Å; F1065-W1284 HydrophobicContact CD1-CZ2 4.44Å; F1065-W1284 AromaticContact CD2-CH2 3.33Å; F1065-W1284 HydrophobicContact CD2-CH2 3.33Å; F1065-W1284 HydrophobicContact CD2-CZ2 4.44Å; F1065-W1284 AromaticContact CD2-CZ3 3.82Å; F1065-W1284 HydrophobicContact CD2-CZ3 3.82Å; F1065-W1284 HydrophobicContact CE1-CH2 4.17Å; F1065-W1284 AromaticContact CE2-CH2 3.55Å; F1065-W1284 HydrophobicContact CE2-CH2 3.55Å; F1065-W1284 AromaticContact CE2-CZ3 3.6Å; F1065-W1284 HydrophobicContact CE2-CZ3 3.6Å; F1065-W1284 AromaticContact CG-CH2 3.53Å; F1065-W1284 HydrophobicContact CG-CH2 3.53Å; F1065-W1284 HydrophobicContact CG-CZ2 4.26Å; F1065-W1284 HydrophobicContact CG-CZ3 4.42Å; F1065-W1284 AromaticContact CZ-CH2 3.96Å; F1065-W1284 HydrophobicContact CZ-CH2 3.96Å; F1065-W1284 HydrophobicContact CZ-CZ3 4.06Å
1066	E	97.1	Very high	98	Very high	99 Å²	99	20.3 Å²	20.3	46%	0.463	11%	0.11	S	C	.	.	I	π-helix	trans	-91.8	-33	-176.8	-64.6	-58.6	143.6	0	0	112.9	H1062 P1070	H1062-E1066 VanDerWaalsContact CE1-CG 3.5Å; H1062-E1066 WeakPolarHBondContact CE1-CG 3.4Å; H1062-E1066 WeakPolarHBondContact ND1-CG 3.49Å; H1062-E1066 WeakPolarHBondContact O-CB 3.49Å; H1062-E1066 PolarHBondContact O-N 3.29Å; E1066-P1070 WeakPolarHBondContact O-CG 3.35Å
1067	H	97.2	Very high	98	Very high	43 Å²	43	20.3 Å²	20.3	20%	0.199	11%	0.11	C	C	.	.	I	π-helix	trans	-109.9	-41.5	-172.8	-62.7	-87.4	0	0	0	113.7	H1062 I1063 K1071 F1323	H1062-H1067 AromaticContact NE2-NE2 3.84Å; I1063-H1067 WeakPolarHBondContact O-CA 3.33Å; I1063-H1067 WeakPolarHBondContact O-CB 3.35Å; I1063-H1067 PolarHBondContact O-N 3.09Å; I1063-H1067 VanDerWaalsContact O-N 3.09Å; H1067-K1071 WeakPolarHBondContact O-CD 3.14Å; H1067-K1071 WeakPolarHBondContact O-CE 3.39Å; H1067-K1071 PolarHBondContact O-NZ 3.39Å; H1067-F1323 HydrophobicContact CB-CD2 4.04Å; H1067-F1323 HydrophobicContact CB-CE2 3.76Å
1068	W	98.4	Very high	98	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	12%	0.12	C	C	.	.	I	π-helix	trans	-90.6	-52.3	-173.1	-176.6	83.9	0	0	0	113.8	L840 W843 L847 I1063 T1064 P1070 K1071 V1072 F1104 F1274 F1323	L840-W1068 PolarHBondContact O-NE1 3.42Å; W843-W1068 AromaticContact CD1-CD1 3.37Å; W843-W1068 AromaticContact CD1-CD2 3.66Å; W843-W1068 AromaticContact CD1-CE2 3.81Å; W843-W1068 AromaticContact CD1-CG 3.37Å; W843-W1068 AromaticContact CD1-NE1 3.63Å; W843-W1068 AromaticContact CG-CD1 3.84Å; W843-W1068 HydrophobicContact CG-CG 4.21Å; W843-W1068 AromaticContact NE1-CG 3.98Å; L847-W1068 HydrophobicContact CD2-CE3 4.31Å; L847-W1068 HydrophobicContact CD2-CH2 4.46Å; L847-W1068 HydrophobicContact CD2-CZ3 4.04Å; I1063-W1068 PolarHBondContact O-N 2.78Å; T1064-W1068 HydrophobicContact CG2-CE3 4.14Å; T1064-W1068 PolarHBondContact O-N 2.96Å; W1068-P1070 VanDerWaalsContact C-CD 3.45Å; W1068-P1070 VanDerWaalsContact C-N 3.34Å; W1068-K1071 WeakPolarHBondContact O-CB 3.47Å; W1068-K1071 PolarHBondContact O-N 3.16Å; W1068-V1072 HydrophobicContact CD2-CG2 3.79Å; W1068-V1072 VanDerWaalsContact CE2-CG2 3.48Å; W1068-V1072 HydrophobicContact CE3-CG2 4.13Å; W1068-V1072 HydrophobicContact CG-CG2 4.41Å; W1068-V1072 HydrophobicContact CH2-CB 4.46Å; W1068-V1072 HydrophobicContact CH2-CG1 4.21Å; W1068-V1072 HydrophobicContact CH2-CG2 3.91Å; W1068-V1072 HydrophobicContact CZ2-CG2 3.56Å; W1068-V1072 HydrophobicContact CZ3-CB 4.5Å; W1068-V1072 HydrophobicContact CZ3-CG1 4.49Å; W1068-V1072 HydrophobicContact CZ3-CG2 4.19Å; W1068-V1072 PolarHBondContact O-N 3.12Å; W1068-F1104 AromaticContact CH2-CE2 3.67Å; W1068-F1104 HydrophobicContact CH2-CE2 3.67Å; W1068-F1104 AromaticContact CH2-CZ 3.66Å; W1068-F1104 HydrophobicContact CH2-CZ 3.66Å; W1068-F1104 HydrophobicContact CZ3-CE2 4.25Å; W1068-F1104 HydrophobicContact CZ3-CZ 4.31Å; W1068-F1274 HydrophobicContact CZ3-CE2 4.48Å; W1068-F1274 AromaticContact CZ3-CZ 3.98Å; W1068-F1274 HydrophobicContact CZ3-CZ 3.98Å; W1068-F1323 HydrophobicContact CB-CE2 4.05Å; W1068-F1323 HydrophobicContact CB-CZ 4.05Å; W1068-F1323 AromaticContact CD1-CD1 3.91Å; W1068-F1323 AromaticContact CD1-CE1 3.66Å; W1068-F1323 HydrophobicContact CG-CE1 4.48Å; W1068-F1323 HydrophobicContact CG-CZ 4.44Å
1069	L	98.2	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-54.2	-40.2	-178.6	-80	-179.8	0	0	0	113.6	T1064 F1065 K1071 V1072 L1073 M1078 L1081 F1274	T1064-L1069 HydrophobicContact CG2-CG 4.26Å; T1064-L1069 WeakPolarHBondContact O-CB 3.36Å; T1064-L1069 WeakPolarHBondContact O-CG 3.42Å; T1064-L1069 PolarHBondContact O-N 3.21Å; F1065-L1069 HydrophobicContact CB-CD1 4.47Å; F1065-L1069 HydrophobicContact CD1-CD1 3.69Å; F1065-L1069 HydrophobicContact CD2-CD1 4.1Å; F1065-L1069 HydrophobicContact CE1-CD1 3.88Å; F1065-L1069 HydrophobicContact CE2-CD1 4.3Å; F1065-L1069 HydrophobicContact CG-CD1 3.83Å; F1065-L1069 HydrophobicContact CZ-CD1 4.2Å; L1069-K1071 PolarHBondContact O-N 3Å; L1069-V1072 PolarHBondContact O-N 3.09Å; L1069-V1072 VanDerWaalsContact O-N 3.13Å; L1069-L1073 HydrophobicContact CB-CD1 4.39Å; L1069-L1073 HydrophobicContact CD2-CD1 3.96Å; L1069-L1073 HydrophobicContact CD2-CG 4.18Å; L1069-L1073 WeakPolarHBondContact O-CB 3.24Å; L1069-L1073 PolarHBondContact O-N 2.94Å; L1069-M1078 HydrophobicContact CB-SD 3.96Å; L1069-L1081 HydrophobicContact CD1-CD2 3.95Å; L1069-F1274 HydrophobicContact CD1-CB 4.19Å; L1069-F1274 HydrophobicContact CD1-CD1 3.72Å; L1069-F1274 HydrophobicContact CD1-CE1 4.31Å; L1069-F1274 HydrophobicContact CD1-CG 3.99Å; L1069-F1274 HydrophobicContact CD2-CD1 4.02Å; L1069-F1274 HydrophobicContact CD2-CD2 3.98Å; L1069-F1274 HydrophobicContact CD2-CE1 4.07Å; L1069-F1274 HydrophobicContact CD2-CE2 4.04Å; L1069-F1274 HydrophobicContact CD2-CG 3.97Å; L1069-F1274 HydrophobicContact CD2-CZ 4.08Å; L1069-F1274 HydrophobicContact CG-CD1 4.32Å; L1069-F1274 HydrophobicContact CG-CE1 4.47Å
1070	P	98.1	Very high	97.9	Very high	37 Å²	37	36.1 Å²	36.1	24%	0.24	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-29.8	177.8	-27	36.3	0	0	0	114.4	E1066 W1068 G1074 M1078	E1066-P1070 WeakPolarHBondContact O-CG 3.35Å; W1068-P1070 VanDerWaalsContact C-CD 3.45Å; W1068-P1070 VanDerWaalsContact C-N 3.34Å; P1070-G1074 VanDerWaalsContact O-CA 3.25Å; P1070-G1074 WeakPolarHBondContact O-CA 3.5Å; P1070-G1074 PolarHBondContact O-N 3.18Å; P1070-G1074 VanDerWaalsContact O-N 3.1Å; P1070-M1078 HydrophobicContact CB-CG 4.14Å; P1070-M1078 HydrophobicContact CB-SD 4.42Å; P1070-M1078 HydrophobicContact CG-CE 4Å; P1070-M1078 HydrophobicContact CG-CG 4.32Å; P1070-M1078 HydrophobicContact CG-SD 4.06Å
1071	K	97.4	Very high	97.9	Very high	34 Å²	34	36.4 Å²	36.4	15%	0.148	18%	0.179	C	C	.	.	H	α-helix	trans	-81.9	-31.6	179.5	-73.5	51	161.3	178.4	0	111.3	Y836 L840 H1067 W1068 L1069 D1321 F1323	Y836-K1071 HydrophobicContact CD1-CB 4.2Å; Y836-K1071 HydrophobicContact CD1-CG 3.9Å; Y836-K1071 HydrophobicContact CD2-CB 4.48Å; Y836-K1071 HydrophobicContact CE1-CB 3.79Å; Y836-K1071 HydrophobicContact CE1-CG 3.45Å; Y836-K1071 VanDerWaalsContact CE1-CG 3.45Å; Y836-K1071 HydrophobicContact CE2-CB 4.02Å; Y836-K1071 WeakPolarHBondContact CE2-O 3.44Å; Y836-K1071 PolarHBondContact OH-O 3.07Å; L840-K1071 HydrophobicContact CD1-CB 3.6Å; L840-K1071 HydrophobicContact CD1-CG 4.42Å; H1067-K1071 WeakPolarHBondContact O-CD 3.14Å; H1067-K1071 WeakPolarHBondContact O-CE 3.39Å; H1067-K1071 PolarHBondContact O-NZ 3.39Å; W1068-K1071 WeakPolarHBondContact O-CB 3.47Å; W1068-K1071 PolarHBondContact O-N 3.16Å; L1069-K1071 PolarHBondContact O-N 3Å; K1071-D1321 WeakPolarHBondContact CE-OD2 3.48Å; K1071-D1321 IonicContact NZ-OD2 3Å; K1071-D1321 PolarHBondContact NZ-OD2 2.75Å; K1071-F1323 HydrophobicContact CG-CB 4.4Å
1072	V	97.3	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-81.3	-46.1	-179.7	171.8	0	0	0	0	112.1	L840 W1068 L1069 F1106 A1260 R1261 M1262	L840-V1072 HydrophobicContact CD1-CG2 3.9Å; L840-V1072 HydrophobicContact CD2-CG2 4.49Å; L840-V1072 HydrophobicContact CG-CG2 4.27Å; W1068-V1072 HydrophobicContact CD2-CG2 3.79Å; W1068-V1072 VanDerWaalsContact CE2-CG2 3.48Å; W1068-V1072 HydrophobicContact CE3-CG2 4.13Å; W1068-V1072 HydrophobicContact CG-CG2 4.41Å; W1068-V1072 HydrophobicContact CH2-CB 4.46Å; W1068-V1072 HydrophobicContact CH2-CG1 4.21Å; W1068-V1072 HydrophobicContact CH2-CG2 3.91Å; W1068-V1072 HydrophobicContact CZ2-CG2 3.56Å; W1068-V1072 HydrophobicContact CZ3-CB 4.5Å; W1068-V1072 HydrophobicContact CZ3-CG1 4.49Å; W1068-V1072 HydrophobicContact CZ3-CG2 4.19Å; W1068-V1072 PolarHBondContact O-N 3.12Å; L1069-V1072 PolarHBondContact O-N 3.09Å; L1069-V1072 VanDerWaalsContact O-N 3.13Å; V1072-F1106 HydrophobicContact CG1-CE1 4.26Å; V1072-F1106 HydrophobicContact CG1-CE2 4.11Å; V1072-F1106 HydrophobicContact CG1-CZ 3.49Å; V1072-F1106 VanDerWaalsContact CG1-CZ 3.49Å; V1072-A1260 VanDerWaalsContact O-CA 3.31Å; V1072-A1260 WeakPolarHBondContact O-CA 3.29Å; V1072-A1260 WeakPolarHBondContact O-CB 2.83Å; V1072-R1261 PolarHBondContact O-N 2.78Å; V1072-M1262 HydrophobicContact CG1-CE 3.21Å
1073	L	98	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-89.7	-20.2	-175.7	-67.5	-175.9	0	0	0	113.7	L1069 G1077 M1078 L1081 A1260 M1262 M1267 I1270 V1271	L1069-L1073 HydrophobicContact CB-CD1 4.39Å; L1069-L1073 HydrophobicContact CD2-CD1 3.96Å; L1069-L1073 HydrophobicContact CD2-CG 4.18Å; L1069-L1073 WeakPolarHBondContact O-CB 3.24Å; L1069-L1073 PolarHBondContact O-N 2.94Å; L1073-G1077 WeakPolarHBondContact O-CA 3.45Å; L1073-G1077 PolarHBondContact O-N 3.46Å; L1073-M1078 HydrophobicContact CB-CG 4.5Å; L1073-M1078 HydrophobicContact CB-SD 4.4Å; L1073-M1078 HydrophobicContact CD1-SD 4.13Å; L1073-L1081 HydrophobicContact CD1-CD2 4.48Å; L1073-A1260 WeakPolarHBondContact O-CB 3.49Å; L1073-M1262 HydrophobicContact CD2-CE 4.42Å; L1073-M1262 HydrophobicContact CD2-SD 4.24Å; L1073-M1267 HydrophobicContact CD2-CG 4.26Å; L1073-I1270 HydrophobicContact CD2-CB 4.38Å; L1073-I1270 HydrophobicContact CD2-CG2 3.81Å; L1073-V1271 HydrophobicContact CD1-CG2 3.88Å; L1073-V1271 HydrophobicContact CD2-CG2 4.02Å
1074	G	97.1	Very high	97.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	62.6	179.5	-172.2	0	0	0	0	0	113.6	P1070 I1076 G1077 M1078	P1070-G1074 VanDerWaalsContact O-CA 3.25Å; P1070-G1074 WeakPolarHBondContact O-CA 3.5Å; P1070-G1074 PolarHBondContact O-N 3.18Å; P1070-G1074 VanDerWaalsContact O-N 3.1Å; G1074-I1076 VanDerWaalsContact C-N 3.28Å; G1074-I1076 PolarHBondContact O-N 3.42Å; G1074-G1077 PolarHBondContact O-N 3.46Å; G1074-M1078 WeakPolarHBondContact O-CG 3.2Å; G1074-M1078 PolarHBondContact O-N 2.97Å
1075	P	97.6	Very high	97.7	Very high	97 Å²	97	57.2 Å²	57.2	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-59.9	-35.5	-177.1	-25	34.3	0	0	0	113.7	K1079	P1075-K1079 WeakPolarHBondContact O-CB 3.29Å; P1075-K1079 PolarHBondContact O-N 2.7Å
1076	I	97.6	Very high	97.6	Very high	84 Å²	84	57.9 Å²	57.9	43%	0.431	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-47	-179.7	-64.3	174.1	0	0	0	110.5	G1074 K1079 K1080 V1257 M1267	G1074-I1076 VanDerWaalsContact C-N 3.28Å; G1074-I1076 PolarHBondContact O-N 3.42Å; I1076-K1079 PolarHBondContact O-N 3.24Å; I1076-K1080 WeakPolarHBondContact O-CG 3.38Å; I1076-K1080 PolarHBondContact O-N 2.82Å; I1076-V1257 HydrophobicContact CB-CG1 4.1Å; I1076-V1257 HydrophobicContact CD1-CG1 3.7Å; I1076-V1257 HydrophobicContact CG1-CG1 4.4Å; I1076-V1257 HydrophobicContact CG2-CG1 4.41Å; I1076-M1267 HydrophobicContact CG2-CE 3.94Å; I1076-M1267 HydrophobicContact CG2-SD 4.34Å
1077	G	98.1	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-38.9	179.1	0	0	0	0	0	112.1	L1073 G1074 K1079 K1080 L1081 M1267	L1073-G1077 WeakPolarHBondContact O-CA 3.45Å; L1073-G1077 PolarHBondContact O-N 3.46Å; G1074-G1077 PolarHBondContact O-N 3.46Å; G1077-K1079 PolarHBondContact O-N 2.82Å; G1077-K1080 CarbonylContact O-C 3.52Å; G1077-K1080 WeakPolarHBondContact O-CB 3.48Å; G1077-K1080 PolarHBondContact O-N 2.87Å; G1077-K1080 VanDerWaalsContact O-N 3.12Å; G1077-L1081 PolarHBondContact O-N 3.33Å; G1077-M1267 VanDerWaalsContact CA-SD 3.57Å
1078	M	98.3	Very high	97.6	Very high	54 Å²	54	56.7 Å²	56.7	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-41.8	173.5	-70	-54.9	-63.5	0	0	112.5	L1069 P1070 L1073 G1074 K1080 L1081 G1082	L1069-M1078 HydrophobicContact CB-SD 3.96Å; P1070-M1078 HydrophobicContact CB-CG 4.14Å; P1070-M1078 HydrophobicContact CB-SD 4.42Å; P1070-M1078 HydrophobicContact CG-CE 4Å; P1070-M1078 HydrophobicContact CG-CG 4.32Å; P1070-M1078 HydrophobicContact CG-SD 4.06Å; L1073-M1078 HydrophobicContact CB-CG 4.5Å; L1073-M1078 HydrophobicContact CB-SD 4.4Å; L1073-M1078 HydrophobicContact CD1-SD 4.13Å; G1074-M1078 WeakPolarHBondContact O-CG 3.2Å; G1074-M1078 PolarHBondContact O-N 2.97Å; M1078-K1080 VanDerWaalsContact C-N 3.26Å; M1078-K1080 PolarHBondContact O-N 3.2Å; M1078-L1081 HydrophobicContact CE-CD2 4.14Å; M1078-L1081 WeakPolarHBondContact O-CB 3.44Å; M1078-L1081 PolarHBondContact O-N 3.46Å; M1078-L1081 HydrophobicContact SD-CD2 4.21Å; M1078-G1082 PolarHBondContact O-N 2.69Å
1079	K	98	Very high	97.5	Very high	184 Å²	184	59.8 Å²	59.8	80%	0.8	31%	0.307	S	S	*	.	H	α-helix	trans	-60.5	-37.1	173.2	-176	177.7	-179.7	178.4	0	112	P1075 I1076 G1077	P1075-K1079 WeakPolarHBondContact O-CB 3.29Å; P1075-K1079 PolarHBondContact O-N 2.7Å; I1076-K1079 PolarHBondContact O-N 3.24Å; G1077-K1079 PolarHBondContact O-N 2.82Å
1080	K	97.7	Very high	97.4	Very high	102 Å²	102	63.8 Å²	63.8	44%	0.443	34%	0.335	S	S	.	.	H	α-helix	trans	-69.3	-40.6	174.6	-70.9	-173.1	177.5	-157	0	111.8	I1076 G1077 M1078 G1082 M1267 V1271 R1275	I1076-K1080 WeakPolarHBondContact O-CG 3.38Å; I1076-K1080 PolarHBondContact O-N 2.82Å; G1077-K1080 CarbonylContact O-C 3.52Å; G1077-K1080 WeakPolarHBondContact O-CB 3.48Å; G1077-K1080 PolarHBondContact O-N 2.87Å; G1077-K1080 VanDerWaalsContact O-N 3.12Å; M1078-K1080 VanDerWaalsContact C-N 3.26Å; M1078-K1080 PolarHBondContact O-N 3.2Å; K1080-G1082 VanDerWaalsContact C-N 3.31Å; K1080-G1082 PolarHBondContact O-N 2.8Å; K1080-M1267 HydrophobicContact CD-CE 4.19Å; K1080-V1271 HydrophobicContact CB-CG1 3.97Å; K1080-V1271 HydrophobicContact CB-CG2 4.43Å; K1080-R1275 PolarHBondContact O-NH2 2.97Å
1081	L	98.2	Very high	97.4	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-45	177.1	-178.3	60.9	0	0	0	110.9	F1065 L1069 L1073 G1077 M1078 V1271 F1274 R1275	F1065-L1081 HydrophobicContact CD1-CD2 4.17Å; F1065-L1081 HydrophobicContact CE1-CD2 4.17Å; L1069-L1081 HydrophobicContact CD1-CD2 3.95Å; L1073-L1081 HydrophobicContact CD1-CD2 4.48Å; G1077-L1081 PolarHBondContact O-N 3.33Å; M1078-L1081 HydrophobicContact CE-CD2 4.14Å; M1078-L1081 WeakPolarHBondContact O-CB 3.44Å; M1078-L1081 PolarHBondContact O-N 3.46Å; M1078-L1081 HydrophobicContact SD-CD2 4.21Å; L1081-V1271 HydrophobicContact CB-CG1 4.38Å; L1081-F1274 HydrophobicContact CD1-CB 4.35Å; L1081-R1275 HydrophobicContact CD1-CB 3.89Å; L1081-R1275 PolarHBondContact O-NE 3.21Å
1082	G	97.6	Very high	97.3	Very high	37 Å²	37	62.9 Å²	62.9	38%	0.381	33%	0.331	S	S	.	.			trans	74	174.3	178	0	0	0	0	0	113	M1078 K1080 R1278	M1078-G1082 PolarHBondContact O-N 2.69Å; K1080-G1082 VanDerWaalsContact C-N 3.31Å; K1080-G1082 PolarHBondContact O-N 2.8Å; G1082-R1278 PolarHBondContact O-NH1 3.25Å
1083	E	96.5	Very high	97.3	Very high	169 Å²	169	62.9 Å²	62.9	79%	0.79	33%	0.331	S	S	*	.			trans	-72.9	157.6	178.2	-64	177.9	172.1	0	0	112	R1278	E1083-R1278 PolarHBondContact O-NH2 3.3Å; E1083-R1278 VanDerWaalsContact O-NH2 3.11Å
1084	Y	97.8	Very high	97.3	Very high	45 Å²	45	63.3 Å²	63.3	18%	0.176	33%	0.334	C	S	.	.			trans	-72.7	134	173.2	178.6	-122.4	0	0	0	110.6	G1086 Y1087 R1278 W1284 E1286 N1287	Y1084-G1086 VanDerWaalsContact CE2-C 3.43Å; Y1084-G1086 WeakPolarHBondContact CE2-O 3.48Å; Y1084-G1086 VanDerWaalsContact CZ-C 3.41Å; Y1084-G1086 VanDerWaalsContact OH-C 3.22Å; Y1084-G1086 WeakPolarHBondContact OH-CA 3.21Å; Y1084-Y1087 PolarHBondContact OH-N 3.29Å; Y1084-R1278 HydrophobicContact CD2-CG 3.74Å; Y1084-R1278 HydrophobicContact CE2-CG 4.24Å; Y1084-R1278 HydrophobicContact CG-CG 4.46Å; Y1084-W1284 AromaticContact CD1-CD1 3.88Å; Y1084-W1284 AromaticContact CD1-NE1 3.77Å; Y1084-W1284 AromaticContact CD2-NE1 3.99Å; Y1084-W1284 AromaticContact CE1-CD1 3.46Å; Y1084-W1284 VanDerWaalsContact CE1-CD1 3.46Å; Y1084-W1284 AromaticContact CE1-NE1 3.86Å; Y1084-W1284 AromaticContact CE2-CD1 3.6Å; Y1084-W1284 HydrophobicContact CE2-CG 4.23Å; Y1084-W1284 AromaticContact CG-NE1 3.83Å; Y1084-W1284 AromaticContact CZ-CD1 3.28Å; Y1084-W1284 AromaticContact CZ-NE1 3.98Å; Y1084-E1286 HydrophobicContact CD1-CB 3.92Å; Y1084-E1286 HydrophobicContact CE1-CB 3.94Å; Y1084-N1287 WeakPolarHBondContact OH-CA 3.17Å; Y1084-N1287 VanDerWaalsContact OH-CB 3.3Å; Y1084-N1287 WeakPolarHBondContact OH-CB 3.45Å; Y1084-N1287 PolarHBondContact OH-OD1 3.37Å
1085	K	96.7	Very high	97.3	Very high	199 Å²	199	63.3 Å²	63.3	87%	0.865	33%	0.333	S	S	*	.			trans	-113.8	3.9	-176.8	-64	-176.7	-178.7	178.7	0	114.1
1086	G	95.9	Very high	97.4	Very high	24 Å²	24	58.7 Å²	58.7	25%	0.247	30%	0.303	C	S	.	.			trans	106.1	164	-170.3	0	0	0	0	0	112.5	Y1084	Y1084-G1086 VanDerWaalsContact CE2-C 3.43Å; Y1084-G1086 WeakPolarHBondContact CE2-O 3.48Å; Y1084-G1086 VanDerWaalsContact CZ-C 3.41Å; Y1084-G1086 VanDerWaalsContact OH-C 3.22Å; Y1084-G1086 WeakPolarHBondContact OH-CA 3.21Å
1087	Y	97.9	Very high	97.4	Very high	50 Å²	50	54.8 Å²	54.8	20%	0.196	28%	0.283	C	S	.	.			trans	-68.6	130.1	177	165	-112.7	0	0	0	110.7	Y1084 P1089 D1279 D1281 R1282 N1287	Y1084-Y1087 PolarHBondContact OH-N 3.29Å; Y1087-P1089 HydrophobicContact CE1-CB 3.82Å; Y1087-P1089 HydrophobicContact CE1-CG 4.35Å; Y1087-P1089 WeakPolarHBondContact OH-CA 3.18Å; Y1087-D1279 WeakPolarHBondContact CA-O 3.44Å; Y1087-D1279 WeakPolarHBondContact CD2-O 3.39Å; Y1087-D1281 VanDerWaalsContact CD2-C 3.5Å; Y1087-R1282 HydrophobicContact CD1-CB 4.28Å; Y1087-R1282 HydrophobicContact CD1-CG 4.31Å; Y1087-R1282 HydrophobicContact CD2-CB 4.14Å; Y1087-R1282 HydrophobicContact CE1-CB 4.03Å; Y1087-R1282 HydrophobicContact CE1-CG 4.16Å; Y1087-R1282 HydrophobicContact CE2-CB 3.87Å; Y1087-R1282 HydrophobicContact CG-CB 4.33Å; Y1087-N1287 WeakPolarHBondContact CB-OD1 3.48Å
1088	D	97.4	Very high	97.4	Very high	66 Å²	66	54.8 Å²	54.8	35%	0.353	28%	0.284	S	S	.	.			trans	-113.5	106.2	175.8	-175.4	-13.9	0	0	0	109.9	S1090 V1091 D1279	D1088-S1090 VanDerWaalsContact CG-OG 3.23Å; D1088-S1090 PolarHBondContact O-N 3.05Å; D1088-S1090 VanDerWaalsContact O-N 3.08Å; D1088-S1090 VanDerWaalsContact OD1-CB 3.29Å; D1088-S1090 WeakPolarHBondContact OD1-CB 3.31Å; D1088-S1090 PolarHBondContact OD1-N 2.97Å; D1088-S1090 PolarHBondContact OD1-OG 3.19Å; D1088-S1090 PolarHBondContact OD2-OG 2.86Å; D1088-V1091 HydrophobicContact CB-CB 4.42Å; D1088-V1091 HydrophobicContact CB-CG2 3.75Å; D1088-V1091 WeakPolarHBondContact O-CB 3.46Å; D1088-V1091 PolarHBondContact O-N 3.35Å; D1088-D1279 PolarHBondContact N-O 3.22Å
1089	P	96.3	Very high	97.4	Very high	68 Å²	68	52.2 Å²	52.2	44%	0.442	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.9	-179.8	29.2	-35.6	0	0	0	113.9	N772 Y1087	N772-P1089 PolarHBondContact ND2-O 3.1Å; Y1087-P1089 HydrophobicContact CE1-CB 3.82Å; Y1087-P1089 HydrophobicContact CE1-CG 4.35Å; Y1087-P1089 WeakPolarHBondContact OH-CA 3.18Å
1090	S	96.7	Very high	97.3	Very high	84 Å²	84	43.5 Å²	43.5	59%	0.587	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.2	172.1	76.3	0	0	0	0	113.3	D1088	D1088-S1090 VanDerWaalsContact CG-OG 3.23Å; D1088-S1090 PolarHBondContact O-N 3.05Å; D1088-S1090 VanDerWaalsContact O-N 3.08Å; D1088-S1090 VanDerWaalsContact OD1-CB 3.29Å; D1088-S1090 WeakPolarHBondContact OD1-CB 3.31Å; D1088-S1090 PolarHBondContact OD1-N 2.97Å; D1088-S1090 PolarHBondContact OD1-OG 3.19Å; D1088-S1090 PolarHBondContact OD2-OG 2.86Å
1091	V	97.2	Very high	97.3	Very high	30 Å²	30	38.7 Å²	38.7	18%	0.182	21%	0.212	C	C	.	.	S	Bend	trans	-87.5	122.2	-180	176.1	0	0	0	0	110.8	D1088 A1093 R1276	D1088-V1091 HydrophobicContact CB-CB 4.42Å; D1088-V1091 HydrophobicContact CB-CG2 3.75Å; D1088-V1091 WeakPolarHBondContact O-CB 3.46Å; D1088-V1091 PolarHBondContact O-N 3.35Å; V1091-A1093 PolarHBondContact O-N 3.05Å; V1091-R1276 HydrophobicContact CG1-CB 3.92Å; V1091-R1276 HydrophobicContact CG1-CG 3.89Å
1092	D	96.9	Very high	97.3	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.118	21%	0.211	C	C	.	.			trans	-83.3	103.5	174	174.2	13.1	0	0	0	111.1	W778 K786 S1094 R1276	W778-D1092 HydrophobicContact CD2-CB 3.86Å; W778-D1092 HydrophobicContact CE3-CB 3.76Å; W778-D1092 HydrophobicContact CH2-CB 4.12Å; W778-D1092 HydrophobicContact CZ2-CB 4.21Å; W778-D1092 HydrophobicContact CZ3-CB 3.9Å; K786-D1092 WeakPolarHBondContact CD-OD2 3.47Å; K786-D1092 IonicContact NZ-OD2 3.34Å; K786-D1092 PolarHBondContact NZ-OD2 3.42Å; D1092-S1094 PolarHBondContact O-N 3.41Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.42Å; D1092-S1094 PolarHBondContact OD1-N 2.97Å; D1092-S1094 PolarHBondContact OD1-OG 2.91Å; D1092-R1276 WeakPolarHBondContact O-CD 3.37Å; D1092-R1276 PolarHBondContact O-NE 3.41Å
1093	A	97.1	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.			trans	-72.3	-4.6	-179.2	0	0	0	0	0	114.6	Y930 V1091	Y930-A1093 HydrophobicContact CD1-CB 4.42Å; Y930-A1093 HydrophobicContact CE1-CB 3.67Å; V1091-A1093 PolarHBondContact O-N 3.05Å
1094	S	97.2	Very high	97.4	Very high	9 Å²	9	29.2 Å²	29.2	6%	0.063	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-57.4	144.9	-175.8	-50.8	0	0	0	0	112.5	G779 D1092 A1096 Q1273	G779-S1094 PolarHBondContact N-OG 2.9Å; D1092-S1094 PolarHBondContact O-N 3.41Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.42Å; D1092-S1094 PolarHBondContact OD1-N 2.97Å; D1092-S1094 PolarHBondContact OD1-OG 2.91Å; S1094-A1096 PolarHBondContact O-N 3.02Å; S1094-Q1273 PolarHBondContact O-NE2 3.36Å
1095	M	97.8	Very high	97.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-62	128.5	178.8	-75.4	-61.9	106.3	0	0	112.9	F785 K786 L851 T852 S929 F1099 Q1273 L1277	F785-M1095 CarbonylContact C-O 3.42Å; F785-M1095 WeakPolarHBondContact CA-O 3.36Å; F785-M1095 HydrophobicContact CD1-CB 3.81Å; F785-M1095 HydrophobicContact CE1-CB 4.05Å; K786-M1095 PolarHBondContact N-O 2.99Å; L851-M1095 HydrophobicContact CB-SD 4.01Å; L851-M1095 HydrophobicContact CD2-CE 4.26Å; L851-M1095 WeakPolarHBondContact O-CG 3.22Å; T852-M1095 HydrophobicContact CG2-CB 4.47Å; T852-M1095 HydrophobicContact CG2-CG 3.91Å; T852-M1095 HydrophobicContact CG2-SD 3.91Å; S929-M1095 WeakPolarHBondContact O-CE 3.3Å; S929-M1095 PolarHBondContact OG-N 3.3Å; M1095-F1099 HydrophobicContact SD-CD1 3.94Å; M1095-F1099 HydrophobicContact SD-CE1 3.97Å; M1095-Q1273 HydrophobicContact CE-CG 3.96Å; M1095-Q1273 HydrophobicContact SD-CG 4.14Å; M1095-L1277 HydrophobicContact CE-CD1 3.99Å; M1095-L1277 HydrophobicContact CE-CD2 3.21Å; M1095-L1277 HydrophobicContact CE-CG 3.81Å
1096	A	98.2	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-72.5	135.6	172.1	0	0	0	0	0	111.7	K786 L788 S1094 A1098 F1099 A1100	K786-A1096 CarbonylContact O-C 3.5Å; K786-A1096 VanDerWaalsContact O-CA 3.26Å; K786-A1096 WeakPolarHBondContact O-CA 3.49Å; L788-A1096 HydrophobicContact CD1-CB 4.08Å; L788-A1096 HydrophobicContact CD2-CB 4.07Å; L788-A1096 HydrophobicContact CG-CB 3.82Å; S1094-A1096 PolarHBondContact O-N 3.02Å; A1096-A1098 VanDerWaalsContact C-N 3.26Å; A1096-A1098 PolarHBondContact O-N 3.03Å; A1096-F1099 HydrophobicContact CB-CB 3.99Å; A1096-F1099 WeakPolarHBondContact O-CB 3.28Å; A1096-F1099 PolarHBondContact O-N 2.74Å; A1096-A1100 PolarHBondContact O-N 3.24Å; A1096-A1100 VanDerWaalsContact O-N 3.1Å
1097	N	97.5	Very high	97.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-40.2	178.1	-162.4	-41	0	0	0	111.3	F785 K786 R787 Q923 F1099 A1100 T1101 H1199 L1201	F785-N1097 HydrophobicContact CB-CB 3.66Å; F785-N1097 HydrophobicContact CG-CB 4.3Å; K786-N1097 PolarHBondContact O-N 3.36Å; R787-N1097 PolarHBondContact NH1-ND2 3.05Å; R787-N1097 PolarHBondContact NH2-ND2 2.59Å; Q923-N1097 PolarHBondContact OE1-ND2 2.67Å; N1097-F1099 VanDerWaalsContact C-N 3.28Å; N1097-F1099 PolarHBondContact O-N 3.49Å; N1097-A1100 PolarHBondContact O-N 2.86Å; N1097-T1101 WeakPolarHBondContact O-CB 3.47Å; N1097-T1101 PolarHBondContact O-N 2.97Å; N1097-T1101 PolarHBondContact O-OG1 3.01Å; N1097-T1101 PolarHBondContact OD1-OG1 2.88Å; N1097-H1199 PolarHBondContact OD1-ND1 2.74Å; N1097-L1201 HydrophobicContact CB-CD2 4.35Å
1098	A	98.4	Very high	97.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-31	176.1	0	0	0	0	0	113.4	L788 A1096 A1102 A1103 L1201 Y1207 L1247	L788-A1098 HydrophobicContact CD1-CB 4.3Å; A1096-A1098 VanDerWaalsContact C-N 3.26Å; A1096-A1098 PolarHBondContact O-N 3.03Å; A1098-A1102 WeakPolarHBondContact O-CB 3.47Å; A1098-A1102 PolarHBondContact O-N 2.81Å; A1098-A1103 PolarHBondContact O-N 3.28Å; A1098-L1201 HydrophobicContact CB-CD2 4.43Å; A1098-Y1207 HydrophobicContact CB-CD1 4.48Å; A1098-Y1207 HydrophobicContact CB-CE1 3.5Å; A1098-Y1207 VanDerWaalsContact CB-CE1 3.5Å; A1098-Y1207 WeakPolarHBondContact CB-OH 3.49Å; A1098-L1247 HydrophobicContact CB-CD2 4.16Å
1099	F	98.4	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-70.6	-57.1	176.3	175.5	-89	0	0	0	110.4	L851 T852 M1095 A1096 N1097 T1101 A1103 F1104 I1269 I1270 Q1273 F1274	L851-F1099 HydrophobicContact CD1-CE1 4.46Å; T852-F1099 HydrophobicContact CG2-CD1 4.41Å; T852-F1099 HydrophobicContact CG2-CE1 4.4Å; M1095-F1099 HydrophobicContact SD-CD1 3.94Å; M1095-F1099 HydrophobicContact SD-CE1 3.97Å; A1096-F1099 HydrophobicContact CB-CB 3.99Å; A1096-F1099 WeakPolarHBondContact O-CB 3.28Å; A1096-F1099 PolarHBondContact O-N 2.74Å; N1097-F1099 VanDerWaalsContact C-N 3.28Å; N1097-F1099 PolarHBondContact O-N 3.49Å; F1099-T1101 PolarHBondContact O-N 2.78Å; F1099-A1103 PolarHBondContact O-N 3.29Å; F1099-F1104 HydrophobicContact CD1-CB 4.08Å; F1099-F1104 HydrophobicContact CD2-CB 4.25Å; F1099-F1104 HydrophobicContact CD2-CD2 4.5Å; F1099-F1104 HydrophobicContact CE1-CB 3.75Å; F1099-F1104 HydrophobicContact CE1-CD1 4.03Å; F1099-F1104 HydrophobicContact CE1-CD2 4.11Å; F1099-F1104 AromaticContact CE1-CG 3.71Å; F1099-F1104 HydrophobicContact CE1-CG 3.71Å; F1099-F1104 HydrophobicContact CE2-CB 3.96Å; F1099-F1104 AromaticContact CE2-CD2 3.5Å; F1099-F1104 HydrophobicContact CE2-CD2 3.5Å; F1099-F1104 VanDerWaalsContact CE2-CD2 3.5Å; F1099-F1104 HydrophobicContact CE2-CE2 4.19Å; F1099-F1104 AromaticContact CE2-CG 3.88Å; F1099-F1104 HydrophobicContact CE2-CG 3.88Å; F1099-F1104 HydrophobicContact CG-CB 4.32Å; F1099-F1104 HydrophobicContact CZ-CB 3.7Å; F1099-F1104 AromaticContact CZ-CD1 3.91Å; F1099-F1104 HydrophobicContact CZ-CD1 3.91Å; F1099-F1104 AromaticContact CZ-CD2 3.25Å; F1099-F1104 HydrophobicContact CZ-CD2 3.25Å; F1099-F1104 HydrophobicContact CZ-CE1 4.34Å; F1099-F1104 AromaticContact CZ-CE2 3.77Å; F1099-F1104 HydrophobicContact CZ-CE2 3.77Å; F1099-F1104 AromaticContact CZ-CG 3.34Å; F1099-F1104 HydrophobicContact CZ-CG 3.34Å; F1099-F1104 HydrophobicContact CZ-CZ 4.29Å; F1099-F1104 WeakPolarHBondContact O-CB 3.16Å; F1099-F1104 PolarHBondContact O-N 2.85Å; F1099-I1269 HydrophobicContact CB-CG2 4.24Å; F1099-I1270 HydrophobicContact CD2-CG1 4.07Å; F1099-I1270 HydrophobicContact CE2-CB 4.44Å; F1099-I1270 HydrophobicContact CE2-CG1 3.94Å; F1099-I1270 HydrophobicContact CE2-CG2 4.42Å; F1099-Q1273 HydrophobicContact CB-CB 4.45Å; F1099-Q1273 HydrophobicContact CB-CG 4.38Å; F1099-Q1273 HydrophobicContact CD1-CG 4.01Å; F1099-Q1273 HydrophobicContact CD2-CB 3.5Å; F1099-Q1273 VanDerWaalsContact CD2-CB 3.5Å; F1099-Q1273 HydrophobicContact CD2-CG 3.67Å; F1099-Q1273 HydrophobicContact CE1-CG 4.17Å; F1099-Q1273 HydrophobicContact CE2-CB 3.8Å; F1099-Q1273 HydrophobicContact CE2-CG 3.82Å; F1099-Q1273 HydrophobicContact CG-CB 4Å; F1099-Q1273 HydrophobicContact CG-CG 3.77Å; F1099-Q1273 HydrophobicContact CZ-CG 4.07Å; F1099-F1274 HydrophobicContact CE2-CD2 4.26Å; F1099-F1274 AromaticContact CE2-CE2 3.9Å; F1099-F1274 HydrophobicContact CE2-CE2 3.9Å; F1099-F1274 AromaticContact CZ-CE2 3.92Å; F1099-F1274 HydrophobicContact CZ-CE2 3.92Å
1100	A	97.1	Very high	97.5	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-37.1	-176.7	0	0	0	0	0	113.3	F785 T852 A1096 N1097 R1105	F785-A1100 HydrophobicContact CD1-CB 4.16Å; F785-A1100 HydrophobicContact CE1-CB 3.63Å; F785-A1100 HydrophobicContact CZ-CB 4.17Å; T852-A1100 HydrophobicContact CG2-CB 3.65Å; A1096-A1100 PolarHBondContact O-N 3.24Å; A1096-A1100 VanDerWaalsContact O-N 3.1Å; N1097-A1100 PolarHBondContact O-N 2.86Å; A1100-R1105 PolarHBondContact O-NE 3.4Å
1101	T	96.6	Very high	97.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-92	-23.8	-171.8	-53	0	0	0	0	113.1	N1097 F1099 R1105 R1195 H1199 L1201	N1097-T1101 WeakPolarHBondContact O-CB 3.47Å; N1097-T1101 PolarHBondContact O-N 2.97Å; N1097-T1101 PolarHBondContact O-OG1 3.01Å; N1097-T1101 PolarHBondContact OD1-OG1 2.88Å; F1099-T1101 PolarHBondContact O-N 2.78Å; T1101-R1105 WeakPolarHBondContact O-CD 3.2Å; T1101-R1105 PolarHBondContact O-NE 3.46Å; T1101-R1195 HydrophobicContact CG2-CB 4.38Å; T1101-R1195 HydrophobicContact CG2-CG 3.89Å; T1101-H1199 HydrophobicContact CG2-CB 4.17Å; T1101-H1199 PolarHBondContact OG1-CE1 3.12Å; T1101-H1199 PolarHBondContact OG1-ND1 3Å; T1101-L1201 HydrophobicContact CG2-CD1 3.89Å
1102	A	98.4	Very high	97.5	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.008	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-66.6	-176.7	0	0	0	0	0	113.5	A1098 F1104 R1105 L1201 L1247 W1248	A1098-A1102 WeakPolarHBondContact O-CB 3.47Å; A1098-A1102 PolarHBondContact O-N 2.81Å; A1102-F1104 PolarHBondContact O-N 3.08Å; A1102-R1105 WeakPolarHBondContact O-CB 3.3Å; A1102-R1105 PolarHBondContact O-N 3.15Å; A1102-R1105 VanDerWaalsContact O-N 3.1Å; A1102-L1201 HydrophobicContact CB-CD1 3.99Å; A1102-L1247 HydrophobicContact CB-CB 4.44Å; A1102-L1247 HydrophobicContact CB-CD2 3.73Å; A1102-L1247 HydrophobicContact CB-CG 3.94Å; A1102-W1248 HydrophobicContact CB-CB 4.13Å
1103	A	98.5	Very high	97.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-63	-44	-163.5	0	0	0	0	0	113.3	A1098 F1099 R1105 F1106 F1266 I1269 I1270	A1098-A1103 PolarHBondContact O-N 3.28Å; F1099-A1103 PolarHBondContact O-N 3.29Å; A1103-R1105 PolarHBondContact O-N 2.99Å; A1103-F1106 WeakPolarHBondContact O-CB 3.48Å; A1103-F1106 VanDerWaalsContact O-CD1 3.29Å; A1103-F1106 WeakPolarHBondContact O-CD1 3.49Å; A1103-F1106 PolarHBondContact O-N 3.07Å; A1103-F1266 HydrophobicContact CB-CB 4.49Å; A1103-F1266 HydrophobicContact CB-CD1 3.8Å; A1103-F1266 HydrophobicContact CB-CE1 4.24Å; A1103-F1266 HydrophobicContact CB-CG 4.2Å; A1103-I1269 HydrophobicContact CB-CB 3.93Å; A1103-I1269 HydrophobicContact CB-CD1 4.24Å; A1103-I1269 HydrophobicContact CB-CG2 3.62Å; A1103-I1270 HydrophobicContact CB-CD1 4.49Å; A1103-I1270 HydrophobicContact CB-CG1 4.14Å
1104	F	98.3	Very high	97.4	Very high	12 Å²	12	12.9 Å²	12.9	5%	0.053	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-73.7	-15.8	-178.9	-150.4	-123.7	0	0	0	113.3	G844 L847 D848 W1068 F1099 A1102 F1106 G1107 I1270 F1274	G844-F1104 WeakPolarHBondContact O-CE1 3.28Å; L847-F1104 HydrophobicContact CD2-CZ 4.25Å; D848-F1104 HydrophobicContact CB-CD1 3.72Å; D848-F1104 HydrophobicContact CB-CE1 3.66Å; D848-F1104 WeakPolarHBondContact OD1-CD1 3.39Å; W1068-F1104 AromaticContact CH2-CE2 3.67Å; W1068-F1104 HydrophobicContact CH2-CE2 3.67Å; W1068-F1104 AromaticContact CH2-CZ 3.66Å; W1068-F1104 HydrophobicContact CH2-CZ 3.66Å; W1068-F1104 HydrophobicContact CZ3-CE2 4.25Å; W1068-F1104 HydrophobicContact CZ3-CZ 4.31Å; F1099-F1104 HydrophobicContact CD1-CB 4.08Å; F1099-F1104 HydrophobicContact CD2-CB 4.25Å; F1099-F1104 HydrophobicContact CD2-CD2 4.5Å; F1099-F1104 HydrophobicContact CE1-CB 3.75Å; F1099-F1104 HydrophobicContact CE1-CD1 4.03Å; F1099-F1104 HydrophobicContact CE1-CD2 4.11Å; F1099-F1104 AromaticContact CE1-CG 3.71Å; F1099-F1104 HydrophobicContact CE1-CG 3.71Å; F1099-F1104 HydrophobicContact CE2-CB 3.96Å; F1099-F1104 AromaticContact CE2-CD2 3.5Å; F1099-F1104 HydrophobicContact CE2-CD2 3.5Å; F1099-F1104 VanDerWaalsContact CE2-CD2 3.5Å; F1099-F1104 HydrophobicContact CE2-CE2 4.19Å; F1099-F1104 AromaticContact CE2-CG 3.88Å; F1099-F1104 HydrophobicContact CE2-CG 3.88Å; F1099-F1104 HydrophobicContact CG-CB 4.32Å; F1099-F1104 HydrophobicContact CZ-CB 3.7Å; F1099-F1104 AromaticContact CZ-CD1 3.91Å; F1099-F1104 HydrophobicContact CZ-CD1 3.91Å; F1099-F1104 AromaticContact CZ-CD2 3.25Å; F1099-F1104 HydrophobicContact CZ-CD2 3.25Å; F1099-F1104 HydrophobicContact CZ-CE1 4.34Å; F1099-F1104 AromaticContact CZ-CE2 3.77Å; F1099-F1104 HydrophobicContact CZ-CE2 3.77Å; F1099-F1104 AromaticContact CZ-CG 3.34Å; F1099-F1104 HydrophobicContact CZ-CG 3.34Å; F1099-F1104 HydrophobicContact CZ-CZ 4.29Å; F1099-F1104 WeakPolarHBondContact O-CB 3.16Å; F1099-F1104 PolarHBondContact O-N 2.85Å; A1102-F1104 PolarHBondContact O-N 3.08Å; F1104-F1106 HydrophobicContact CD2-CE1 4.15Å; F1104-F1106 HydrophobicContact CE2-CE1 4.36Å; F1104-F1106 WeakPolarHBondContact O-CD1 3.34Å; F1104-F1106 PolarHBondContact O-N 3.2Å; F1104-G1107 PolarHBondContact O-N 3.46Å; F1104-I1270 HydrophobicContact CD2-CD1 4.11Å; F1104-I1270 HydrophobicContact CD2-CG1 4.46Å; F1104-F1274 HydrophobicContact CD2-CE2 4.35Å; F1104-F1274 AromaticContact CE2-CE2 3.7Å; F1104-F1274 HydrophobicContact CE2-CE2 3.7Å; F1104-F1274 AromaticContact CE2-CZ 3.89Å; F1104-F1274 HydrophobicContact CE2-CZ 3.89Å; F1104-F1274 HydrophobicContact CZ-CE2 4.36Å; F1104-F1274 HydrophobicContact CZ-CZ 4.11Å
1105	R	97.9	Very high	97.3	Very high	51 Å²	51	12.7 Å²	12.7	19%	0.192	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-75.9	7.2	171.2	-54.7	-170.8	-174.1	-167.3	3.3	113.4	A1100 T1101 A1102 A1103 G1107 H1108 N1192 W1248	A1100-R1105 PolarHBondContact O-NE 3.4Å; T1101-R1105 WeakPolarHBondContact O-CD 3.2Å; T1101-R1105 PolarHBondContact O-NE 3.46Å; A1102-R1105 WeakPolarHBondContact O-CB 3.3Å; A1102-R1105 PolarHBondContact O-N 3.15Å; A1102-R1105 VanDerWaalsContact O-N 3.1Å; A1103-R1105 PolarHBondContact O-N 2.99Å; R1105-G1107 PolarHBondContact O-N 2.92Å; R1105-H1108 PolarHBondContact O-N 3.45Å; R1105-H1108 PolarHBondContact O-ND1 3.36Å; R1105-N1192 VanDerWaalsContact CD-OD1 3.26Å; R1105-N1192 WeakPolarHBondContact CD-OD1 3.37Å; R1105-N1192 PolarHBondContact NH1-OD1 2.76Å; R1105-W1248 PolarHBondContact O-NE1 2.99Å
1106	F	97.2	Very high	97.3	Very high	7 Å²	7	14.6 Å²	14.6	3%	0.031	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.2	164.5	86	-79.1	0	0	0	110.9	V1072 A1103 F1104 H1108 T1109 L1110 R1261 M1262 F1266 I1270	V1072-F1106 HydrophobicContact CG1-CE1 4.26Å; V1072-F1106 HydrophobicContact CG1-CE2 4.11Å; V1072-F1106 HydrophobicContact CG1-CZ 3.49Å; V1072-F1106 VanDerWaalsContact CG1-CZ 3.49Å; A1103-F1106 WeakPolarHBondContact O-CB 3.48Å; A1103-F1106 VanDerWaalsContact O-CD1 3.29Å; A1103-F1106 WeakPolarHBondContact O-CD1 3.49Å; A1103-F1106 PolarHBondContact O-N 3.07Å; F1104-F1106 HydrophobicContact CD2-CE1 4.15Å; F1104-F1106 HydrophobicContact CE2-CE1 4.36Å; F1104-F1106 WeakPolarHBondContact O-CD1 3.34Å; F1104-F1106 PolarHBondContact O-N 3.2Å; F1106-H1108 PolarHBondContact O-N 3.29Å; F1106-T1109 WeakPolarHBondContact O-CB 3.23Å; F1106-T1109 WeakPolarHBondContact O-CG2 3.12Å; F1106-T1109 PolarHBondContact O-N 3.37Å; F1106-T1109 PolarHBondContact O-OG1 2.97Å; F1106-L1110 HydrophobicContact CE2-CD1 3.99Å; F1106-R1261 HydrophobicContact CE2-CB 4.27Å; F1106-M1262 HydrophobicContact CD1-CE 4.05Å; F1106-M1262 HydrophobicContact CD2-CB 4.28Å; F1106-M1262 HydrophobicContact CD2-CE 3.94Å; F1106-M1262 HydrophobicContact CE1-CE 3.74Å; F1106-M1262 HydrophobicContact CE2-CE 3.61Å; F1106-M1262 HydrophobicContact CG-CB 4.49Å; F1106-M1262 HydrophobicContact CG-CE 4.17Å; F1106-M1262 HydrophobicContact CZ-CE 3.52Å; F1106-F1266 HydrophobicContact CB-CD2 3.83Å; F1106-F1266 HydrophobicContact CB-CE2 4.08Å; F1106-I1270 HydrophobicContact CD1-CD1 3.7Å; F1106-I1270 HydrophobicContact CE1-CD1 3.77Å
1107	G	96.7	Very high	97.3	Very high	18 Å²	18	15 Å²	15	19%	0.186	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-55.3	-26	178.9	0	0	0	0	0	114	F1104 R1105 T1109 L1110	F1104-G1107 PolarHBondContact O-N 3.46Å; R1105-G1107 PolarHBondContact O-N 2.92Å; G1107-T1109 PolarHBondContact O-N 3.08Å; G1107-T1109 VanDerWaalsContact O-N 3.14Å; G1107-L1110 WeakPolarHBondContact O-CB 3.34Å; G1107-L1110 PolarHBondContact O-N 3.49Å
1108	H	96.9	Very high	97.2	Very high	39 Å²	39	15.2 Å²	15.2	18%	0.181	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-58.9	-26.7	173.4	-60.6	155.5	0	0	0	113.4	R1105 F1106 L1110 L1169 L1188 N1192	R1105-H1108 PolarHBondContact O-N 3.45Å; R1105-H1108 PolarHBondContact O-ND1 3.36Å; F1106-H1108 PolarHBondContact O-N 3.29Å; H1108-L1110 PolarHBondContact O-N 3.15Å; H1108-L1169 HydrophobicContact CB-CD1 4.14Å; H1108-L1169 HydrophobicContact CB-CD2 4.06Å; H1108-L1169 HydrophobicContact CB-CG 4.14Å; H1108-L1188 HydrophobicContact CB-CD2 4.41Å; H1108-N1192 PolarHBondContact CE1-ND2 2.93Å; H1108-N1192 PolarHBondContact ND1-ND2 3.5Å
1109	T	97.5	Very high	97.1	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.031	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-73.6	-14.8	177.6	67.3	0	0	0	0	113.2	F1106 G1107 K1161 P1163 Y1168 L1169 V1252	F1106-T1109 WeakPolarHBondContact O-CB 3.23Å; F1106-T1109 WeakPolarHBondContact O-CG2 3.12Å; F1106-T1109 PolarHBondContact O-N 3.37Å; F1106-T1109 PolarHBondContact O-OG1 2.97Å; G1107-T1109 PolarHBondContact O-N 3.08Å; G1107-T1109 VanDerWaalsContact O-N 3.14Å; T1109-K1161 PolarHBondContact O-NZ 2.85Å; T1109-P1163 WeakPolarHBondContact OG1-CB 3.5Å; T1109-Y1168 WeakPolarHBondContact CA-O 3.34Å; T1109-L1169 HydrophobicContact CG2-CD1 3.84Å; T1109-V1252 HydrophobicContact CG2-CG1 3.84Å; T1109-V1252 HydrophobicContact CG2-CG2 4.21Å
1110	L	97.8	Very high	96.8	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-95.4	-6.1	-178.2	-52	-179	0	0	0	113.7	L840 M841 F1106 G1107 H1108 K1161 P1163 R1261	L840-L1110 HydrophobicContact CD2-CD1 4.25Å; M841-L1110 HydrophobicContact CB-CB 3.8Å; M841-L1110 HydrophobicContact CG-CB 3.8Å; F1106-L1110 HydrophobicContact CE2-CD1 3.99Å; G1107-L1110 WeakPolarHBondContact O-CB 3.34Å; G1107-L1110 PolarHBondContact O-N 3.49Å; H1108-L1110 PolarHBondContact O-N 3.15Å; L1110-K1161 WeakPolarHBondContact CA-O 3.39Å; L1110-K1161 WeakPolarHBondContact CD2-O 3.46Å; L1110-K1161 WeakPolarHBondContact O-CB 3.12Å; L1110-K1161 PolarHBondContact O-N 2.88Å; L1110-P1163 HydrophobicContact CD2-CB 4.48Å; L1110-P1163 HydrophobicContact CD2-CG 3.83Å; L1110-R1261 HydrophobicContact CD2-CB 4.24Å
1111	I	97.2	Very high	96.6	Very high	18 Å²	18	22.4 Å²	22.4	9%	0.092	14%	0.135	C	C	.	.			trans	-77.7	125.1	-174	-60.7	174.7	0	0	0	110.7	M841 L1132 K1161 N1170 L1173	M841-I1111 HydrophobicContact CE-CG1 4.1Å; M841-I1111 HydrophobicContact CG-CG1 3.73Å; M841-I1111 HydrophobicContact SD-CD1 4.41Å; M841-I1111 HydrophobicContact SD-CG1 3.69Å; I1111-L1132 HydrophobicContact CG2-CD2 3.57Å; I1111-K1161 WeakPolarHBondContact O-CD 3.37Å; I1111-N1170 PolarHBondContact O-ND2 3.25Å; I1111-L1173 HydrophobicContact CB-CD1 3.82Å; I1111-L1173 HydrophobicContact CD1-CD1 3.74Å; I1111-L1173 HydrophobicContact CG1-CD1 4.32Å; I1111-L1173 HydrophobicContact CG2-CD1 3.87Å
1112	Q	96.9	Very high	96.6	Very high	19 Å²	19	22.5 Å²	22.5	9%	0.089	14%	0.135	C	C	.	.			trans	-75.2	148.1	169.5	-69.6	-74	14.8	0	0	111.2	D832 H838 V1114 P1159 A1160 K1161	D832-Q1112 PolarHBondContact OD1-NE2 2.56Å; H838-Q1112 WeakPolarHBondContact ND1-CG 3.28Å; Q1112-V1114 PolarHBondContact O-N 3.1Å; Q1112-P1159 WeakPolarHBondContact CG-O 3.22Å; Q1112-P1159 PolarHBondContact NE2-O 2.62Å; Q1112-A1160 PolarHBondContact NE2-O 2.92Å; Q1112-K1161 HydrophobicContact CG-CB 4.46Å
1113	P	95.1	Very high	96.4	Very high	33 Å²	33	28.8 Å²	28.8	21%	0.214	16%	0.164	C	C	.	.	S	Bend	trans	-72.6	-10	177.2	31.6	-35.8	0	0	0	113.3	V830 L1132 N1170 E1172	V830-P1113 HydrophobicContact CG2-CG 4.14Å; P1113-L1132 VanDerWaalsContact O-CB 3.27Å; P1113-L1132 WeakPolarHBondContact O-CB 3.44Å; P1113-L1132 PolarHBondContact O-N 3.45Å; P1113-N1170 HydrophobicContact CB-CB 4.42Å; P1113-E1172 HydrophobicContact CB-CG 3.72Å
1114	V	95.2	Very high	96.3	Very high	52 Å²	52	34.2 Å²	34.2	32%	0.315	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133	-177.9	-179.1	0	0	0	0	108.7	Q1112 H1129	Q1112-V1114 PolarHBondContact O-N 3.1Å; V1114-H1129 HydrophobicContact CG1-CB 3.51Å
1115	L	96.3	Very high	96.1	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.9	167.4	-61.6	177.1	0	0	0	108.6	A1016 L1130 L1132 A1135 L1151	A1016-L1115 HydrophobicContact CB-CD1 4.43Å; L1115-L1130 HydrophobicContact CB-CB 4.36Å; L1115-L1130 HydrophobicContact CD1-CD2 4.47Å; L1115-L1130 PolarHBondContact N-O 3.42Å; L1115-L1130 PolarHBondContact O-N 2.85Å; L1115-L1132 HydrophobicContact CG-CD1 4.49Å; L1115-A1135 HydrophobicContact CD1-CB 3.68Å; L1115-L1151 HydrophobicContact CB-CD2 4.16Å; L1115-L1151 HydrophobicContact CD1-CD2 4.41Å
1116	L	97.3	Very high	95.9	Very high	40 Å²	40	37.3 Å²	37.3	21%	0.209	22%	0.219	C	C	.	.			trans	-66.8	140	175.5	-57.5	-172.3	0	0	0	109.6	G1154 F1329	L1116-G1154 WeakPolarHBondContact O-CA 3.3Å; L1116-F1329 HydrophobicContact CD1-CE1 4.33Å; L1116-F1329 HydrophobicContact CD1-CZ 4.11Å
1117	R	97.6	Very high	95.7	Very high	9 Å²	9	41.6 Å²	41.6	3%	0.034	24%	0.238	C	C	.	.			trans	-120.7	117.8	169.9	-72	-171.5	-69.6	-173.3	-3.5	108.3	D1125 F1127 G1128 H1129 E1145 P1150 L1151	R1117-D1125 HydrophobicContact CB-CB 3.95Å; R1117-D1125 PolarHBondContact O-N 2.86Å; R1117-F1127 PolarHBondContact NH2-O 3.4Å; R1117-G1128 PolarHBondContact NE-O 3.15Å; R1117-G1128 PolarHBondContact NH2-O 2.87Å; R1117-H1129 PolarHBondContact N-ND1 2.94Å; R1117-H1129 PolarHBondContact O-ND1 2.99Å; R1117-E1145 IonicContact CZ-OE2 4Å; R1117-E1145 IonicContact NH1-OE2 2.89Å; R1117-E1145 PolarHBondContact NH1-OE2 2.78Å; R1117-E1145 IonicContact NH2-OE2 3.26Å; R1117-P1150 WeakPolarHBondContact CA-O 3.28Å; R1117-P1150 HydrophobicContact CB-CB 3.89Å; R1117-P1150 HydrophobicContact CG-CB 4.24Å; R1117-L1151 HydrophobicContact CG-CD2 3.74Å; R1117-L1151 HydrophobicContact CG-CG 4.24Å
1118	L	96.5	Very high	95.6	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-122.8	133	-174.8	-55.9	178.7	0	0	0	112.1	F1122 Q1123 P1150 R1153 A1157 F1329	L1118-F1122 HydrophobicContact CD1-CD1 4.43Å; L1118-Q1123 CarbonylContact C-O 3.54Å; L1118-Q1123 VanDerWaalsContact CA-O 3.24Å; L1118-Q1123 WeakPolarHBondContact CA-O 3.29Å; L1118-P1150 PolarHBondContact N-O 2.87Å; L1118-P1150 VanDerWaalsContact O-CA 3.27Å; L1118-P1150 WeakPolarHBondContact O-CA 3.37Å; L1118-R1153 HydrophobicContact CB-CB 3.91Å; L1118-R1153 PolarHBondContact O-NH1 2.93Å; L1118-A1157 HydrophobicContact CD1-CB 3.67Å; L1118-F1329 HydrophobicContact CD1-CD1 3.85Å; L1118-F1329 HydrophobicContact CD1-CE1 3.84Å
1119	N	95	Very high	95.5	Very high	45 Å²	45	42.5 Å²	42.5	24%	0.241	24%	0.24	C	C	.	.			trans	-74.5	-179.8	174.8	68.7	22.8	0	0	0	111.8	S1121 F1122 Q1123 R1153	N1119-S1121 PolarHBondContact O-N 2.86Å; N1119-S1121 VanDerWaalsContact O-N 3.09Å; N1119-S1121 WeakPolarHBondContact OD1-CA 3.44Å; N1119-S1121 WeakPolarHBondContact OD1-CB 3.3Å; N1119-S1121 PolarHBondContact OD1-N 2.92Å; N1119-F1122 PolarHBondContact O-N 2.94Å; N1119-F1122 PolarHBondContact OD1-N 2.89Å; N1119-Q1123 PolarHBondContact N-O 3.22Å; N1119-Q1123 PolarHBondContact OD1-N 3.13Å; N1119-Q1123 VanDerWaalsContact OD1-N 3.15Å; N1119-Q1123 PolarHBondContact OD1-O 3.34Å; N1119-R1153 WeakPolarHBondContact O-CD 3.36Å
1120	G	92.8	Very high	95.4	Very high	39 Å²	39	42.4 Å²	42.4	40%	0.402	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.2	178.4	0	0	0	0	0	115.3
1121	S	94	Very high	95.1	Very high	69 Å²	69	44.5 Å²	44.5	48%	0.483	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	13.7	173	-59.9	0	0	0	0	113.1	N1119 Q1123 P1331	N1119-S1121 PolarHBondContact O-N 2.86Å; N1119-S1121 VanDerWaalsContact O-N 3.09Å; N1119-S1121 WeakPolarHBondContact OD1-CA 3.44Å; N1119-S1121 WeakPolarHBondContact OD1-CB 3.3Å; N1119-S1121 PolarHBondContact OD1-N 2.92Å; S1121-Q1123 PolarHBondContact O-N 3.34Å; S1121-Q1123 VanDerWaalsContact O-N 3.1Å; S1121-P1331 WeakPolarHBondContact O-CG 3.41Å
1122	F	95.1	Very high	94.8	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	25%	0.251	C	S	.	.	S	Bend	trans	58.8	19.8	-178.9	-71.2	-104.2	0	0	0	114.2	L1118 N1119 F1156 A1157 R1317 F1329 P1331 Y1334	L1118-F1122 HydrophobicContact CD1-CD1 4.43Å; N1119-F1122 PolarHBondContact O-N 2.94Å; N1119-F1122 PolarHBondContact OD1-N 2.89Å; F1122-F1156 HydrophobicContact CE1-CD2 4.44Å; F1122-F1156 AromaticContact CE1-CE2 3.55Å; F1122-F1156 HydrophobicContact CE1-CE2 3.55Å; F1122-F1156 HydrophobicContact CE1-CZ 4.2Å; F1122-F1156 AromaticContact CZ-CE2 3.77Å; F1122-F1156 HydrophobicContact CZ-CE2 3.77Å; F1122-F1156 HydrophobicContact CZ-CZ 4.14Å; F1122-A1157 HydrophobicContact CD1-CB 3.87Å; F1122-A1157 HydrophobicContact CE1-CB 3.95Å; F1122-R1317 HydrophobicContact CE2-CB 4.18Å; F1122-R1317 HydrophobicContact CZ-CB 4.42Å; F1122-F1329 HydrophobicContact CB-CB 4.45Å; F1122-F1329 VanDerWaalsContact CB-O 3.23Å; F1122-F1329 WeakPolarHBondContact CB-O 3.25Å; F1122-P1331 HydrophobicContact CB-CG 4.34Å; F1122-P1331 HydrophobicContact CD2-CB 4.01Å; F1122-P1331 HydrophobicContact CD2-CG 3.96Å; F1122-P1331 HydrophobicContact CE2-CB 4.48Å; F1122-Y1334 HydrophobicContact CD1-CD2 4.1Å; F1122-Y1334 HydrophobicContact CD1-CE1 4.48Å; F1122-Y1334 AromaticContact CD1-CE2 3.57Å; F1122-Y1334 HydrophobicContact CD1-CE2 3.57Å; F1122-Y1334 AromaticContact CD1-CZ 3.78Å; F1122-Y1334 HydrophobicContact CD2-CD2 4.49Å; F1122-Y1334 AromaticContact CE1-CD1 3.92Å; F1122-Y1334 HydrophobicContact CE1-CD1 3.92Å; F1122-Y1334 AromaticContact CE1-CD2 3.69Å; F1122-Y1334 HydrophobicContact CE1-CD2 3.69Å; F1122-Y1334 AromaticContact CE1-CE1 3.68Å; F1122-Y1334 HydrophobicContact CE1-CE1 3.68Å; F1122-Y1334 AromaticContact CE1-CE2 3.44Å; F1122-Y1334 HydrophobicContact CE1-CE2 3.44Å; F1122-Y1334 VanDerWaalsContact CE1-CE2 3.44Å; F1122-Y1334 AromaticContact CE1-CG 3.93Å; F1122-Y1334 HydrophobicContact CE1-CG 3.93Å; F1122-Y1334 AromaticContact CE1-CZ 3.42Å; F1122-Y1334 VanDerWaalsContact CE1-CZ 3.42Å; F1122-Y1334 HydrophobicContact CE2-CD2 4.13Å; F1122-Y1334 HydrophobicContact CE2-CG 4.38Å; F1122-Y1334 HydrophobicContact CG-CD2 4.48Å; F1122-Y1334 HydrophobicContact CG-CE2 4.19Å; F1122-Y1334 AromaticContact CZ-CD1 3.96Å; F1122-Y1334 HydrophobicContact CZ-CD1 3.96Å; F1122-Y1334 AromaticContact CZ-CD2 3.71Å; F1122-Y1334 HydrophobicContact CZ-CD2 3.71Å; F1122-Y1334 HydrophobicContact CZ-CE1 4.21Å; F1122-Y1334 AromaticContact CZ-CE2 3.97Å; F1122-Y1334 HydrophobicContact CZ-CE2 3.97Å; F1122-Y1334 AromaticContact CZ-CG 3.71Å; F1122-Y1334 HydrophobicContact CZ-CG 3.71Å
1123	Q	95.7	Very high	94.1	Very high	132 Å²	132	43.1 Å²	43.1	62%	0.617	25%	0.248	S	C	*	.	S	Bend	trans	-95.5	161.5	172.2	-65.6	-179.2	-17.7	0	0	110	L1118 N1119 S1121 D1125	L1118-Q1123 CarbonylContact C-O 3.54Å; L1118-Q1123 VanDerWaalsContact CA-O 3.24Å; L1118-Q1123 WeakPolarHBondContact CA-O 3.29Å; N1119-Q1123 PolarHBondContact N-O 3.22Å; N1119-Q1123 PolarHBondContact OD1-N 3.13Å; N1119-Q1123 VanDerWaalsContact OD1-N 3.15Å; N1119-Q1123 PolarHBondContact OD1-O 3.34Å; S1121-Q1123 PolarHBondContact O-N 3.34Å; S1121-Q1123 VanDerWaalsContact O-N 3.1Å; Q1123-D1125 PolarHBondContact O-N 3.23Å
1124	Q	96.1	Very high	93.5	Very high	115 Å²	115	45 Å²	45	54%	0.537	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-50.4	127.7	174.9	-177.5	-179.6	-68.1	0	0	110.4
1125	D	93.4	Very high	93.2	Very high	21 Å²	21	42.5 Å²	42.5	11%	0.112	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.6	157.1	176.9	-177	71.7	0	0	0	111.9	R1117 Q1123 F1127 G1128 P1150	R1117-D1125 HydrophobicContact CB-CB 3.95Å; R1117-D1125 PolarHBondContact O-N 2.86Å; Q1123-D1125 PolarHBondContact O-N 3.23Å; D1125-F1127 PolarHBondContact O-N 3.48Å; D1125-F1127 VanDerWaalsContact O-N 3.12Å; D1125-F1127 WeakPolarHBondContact OD2-CD2 3.48Å; D1125-F1127 PolarHBondContact OD2-N 3.46Å; D1125-G1128 PolarHBondContact O-N 3.1Å; D1125-P1150 HydrophobicContact CB-CB 4.23Å
1126	S	93.6	Very high	92.7	Very high	106 Å²	106	42.4 Å²	42.4	74%	0.741	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.2	179.1	63.9	0	0	0	0	114.7	G1128	S1126-G1128 VanDerWaalsContact C-N 3.29Å; S1126-G1128 PolarHBondContact O-N 3.36Å
1127	F	92.6	Very high	92.1	Very high	97 Å²	97	40.5 Å²	40.5	43%	0.425	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.6	176.7	-63.2	-74.7	0	0	0	113.7	R1117 D1125 E1145	R1117-F1127 PolarHBondContact NH2-O 3.4Å; D1125-F1127 PolarHBondContact O-N 3.48Å; D1125-F1127 VanDerWaalsContact O-N 3.12Å; D1125-F1127 WeakPolarHBondContact OD2-CD2 3.48Å; D1125-F1127 PolarHBondContact OD2-N 3.46Å; F1127-E1145 HydrophobicContact CB-CB 4.11Å; F1127-E1145 HydrophobicContact CD1-CB 3.82Å; F1127-E1145 HydrophobicContact CD1-CG 3.79Å; F1127-E1145 HydrophobicContact CD2-CB 3.75Å; F1127-E1145 WeakPolarHBondContact CD2-O 3.34Å; F1127-E1145 HydrophobicContact CE1-CB 4.15Å; F1127-E1145 HydrophobicContact CE1-CG 4.03Å; F1127-E1145 VanDerWaalsContact CE2-C 3.41Å; F1127-E1145 VanDerWaalsContact CE2-CA 3.45Å; F1127-E1145 HydrophobicContact CE2-CB 4.12Å; F1127-E1145 HydrophobicContact CG-CB 3.61Å; F1127-E1145 HydrophobicContact CG-CG 4.11Å; F1127-E1145 HydrophobicContact CZ-CB 4.3Å
1128	G	94.9	Very high	91.5	Very high	13 Å²	13	40.3 Å²	40.3	13%	0.134	23%	0.228	C	C	.	.			trans	77.8	177.3	-176.2	0	0	0	0	0	113.3	R1117 D1125 S1126	R1117-G1128 PolarHBondContact NE-O 3.15Å; R1117-G1128 PolarHBondContact NH2-O 2.87Å; D1125-G1128 PolarHBondContact O-N 3.1Å; S1126-G1128 VanDerWaalsContact C-N 3.29Å; S1126-G1128 PolarHBondContact O-N 3.36Å
1129	H	96.1	Very high	91.1	Very high	63 Å²	63	40 Å²	40	29%	0.292	23%	0.227	S	C	.	.			trans	-72.8	155.6	171.7	-59.8	-32.9	0	0	0	111.5	V1114 R1117 P1131	V1114-H1129 HydrophobicContact CG1-CB 3.51Å; R1117-H1129 PolarHBondContact N-ND1 2.94Å; R1117-H1129 PolarHBondContact O-ND1 2.99Å; H1129-P1131 WeakPolarHBondContact O-CD 3.25Å
1130	L	93.6	Very high	90.7	Very high	4 Å²	4	40 Å²	40	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.4	-175.1	-179.3	62.4	0	0	0	110.3	A1016 L1115 L1132 E1134 A1135 K1141	A1016-L1130 HydrophobicContact CB-CD2 3.94Å; L1115-L1130 HydrophobicContact CB-CB 4.36Å; L1115-L1130 HydrophobicContact CD1-CD2 4.47Å; L1115-L1130 PolarHBondContact N-O 3.42Å; L1115-L1130 PolarHBondContact O-N 2.85Å; L1130-L1132 PolarHBondContact O-N 2.87Å; L1130-E1134 HydrophobicContact CD1-CB 4.01Å; L1130-A1135 HydrophobicContact CD2-CB 3.64Å; L1130-A1135 HydrophobicContact CG-CB 3.94Å; L1130-K1141 HydrophobicContact CD1-CD 4.3Å; L1130-K1141 HydrophobicContact CD1-CG 4.38Å; L1130-K1141 HydrophobicContact CD2-CB 4.32Å
1131	P	92.1	Very high	90.5	Very high	47 Å²	47	40.2 Å²	40.2	31%	0.305	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	138.9	174.5	-21.1	32.4	0	0	0	111	H1129 G1133 E1134 A1135	H1129-P1131 WeakPolarHBondContact O-CD 3.25Å; P1131-G1133 VanDerWaalsContact C-N 3.31Å; P1131-G1133 PolarHBondContact O-N 3.15Å; P1131-E1134 HydrophobicContact CB-CG 4.24Å; P1131-E1134 HydrophobicContact CG-CG 4.45Å; P1131-E1134 WeakPolarHBondContact O-CA 3.37Å; P1131-E1134 WeakPolarHBondContact O-CB 3.49Å; P1131-E1134 PolarHBondContact O-N 2.87Å; P1131-A1135 PolarHBondContact O-N 2.96Å
1132	L	90.5	Very high	90.4	Very high	5 Å²	5	37 Å²	37	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-40.5	-172.5	-176.6	63.4	0	0	0	112.5	I1111 P1113 L1115 L1130 E1134 A1135 F1136 E1172 L1173	I1111-L1132 HydrophobicContact CG2-CD2 3.57Å; P1113-L1132 VanDerWaalsContact O-CB 3.27Å; P1113-L1132 WeakPolarHBondContact O-CB 3.44Å; P1113-L1132 PolarHBondContact O-N 3.45Å; L1115-L1132 HydrophobicContact CG-CD1 4.49Å; L1130-L1132 PolarHBondContact O-N 2.87Å; L1132-E1134 PolarHBondContact O-N 2.78Å; L1132-E1134 VanDerWaalsContact O-N 3.08Å; L1132-A1135 WeakPolarHBondContact O-CB 3.39Å; L1132-A1135 PolarHBondContact O-N 2.86Å; L1132-F1136 HydrophobicContact CD1-CE1 4.18Å; L1132-F1136 HydrophobicContact CD1-CZ 4.02Å; L1132-F1136 HydrophobicContact CD2-CZ 4.02Å; L1132-F1136 HydrophobicContact CG-CE1 4.28Å; L1132-F1136 HydrophobicContact CG-CE2 3.96Å; L1132-F1136 HydrophobicContact CG-CZ 3.61Å; L1132-F1136 VanDerWaalsContact O-CD2 3.24Å; L1132-F1136 WeakPolarHBondContact O-CD2 3.46Å; L1132-F1136 WeakPolarHBondContact O-CE2 3.41Å; L1132-E1172 HydrophobicContact CB-CB 4.34Å; L1132-E1172 HydrophobicContact CD2-CB 4.45Å; L1132-L1173 HydrophobicContact CD2-CD2 3.74Å; L1132-L1173 HydrophobicContact CD2-CG 4.09Å
1133	G	82.1	Confident	90	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-21.5	174.2	0	0	0	0	0	114.6	P1131	P1131-G1133 VanDerWaalsContact C-N 3.31Å; P1131-G1133 PolarHBondContact O-N 3.15Å
1134	E	83.7	Confident	89.6	Confident	72 Å²	72	34.8 Å²	34.8	34%	0.336	18%	0.182	S	C	.	.	H	α-helix	trans	-95.7	-15.1	175.9	-55.4	-157.1	-146.8	0	0	113.9	L1130 P1131 L1132 A1138 K1180	L1130-E1134 HydrophobicContact CD1-CB 4.01Å; P1131-E1134 HydrophobicContact CB-CG 4.24Å; P1131-E1134 HydrophobicContact CG-CG 4.45Å; P1131-E1134 WeakPolarHBondContact O-CA 3.37Å; P1131-E1134 WeakPolarHBondContact O-CB 3.49Å; P1131-E1134 PolarHBondContact O-N 2.87Å; L1132-E1134 PolarHBondContact O-N 2.78Å; L1132-E1134 VanDerWaalsContact O-N 3.08Å; E1134-A1138 WeakPolarHBondContact O-CB 3.48Å; E1134-K1180 VanDerWaalsContact CD-NZ 3.26Å; E1134-K1180 IonicContact OE2-NZ 3.48Å; E1134-K1180 PolarHBondContact OE2-NZ 2.74Å
1135	A	89.2	Confident	89.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-81.4	-20.4	179.7	0	0	0	0	0	113.3	Q1015 A1016 L1115 L1130 P1131 L1132 F1137	Q1015-A1135 WeakPolarHBondContact CA-O 3.33Å; Q1015-A1135 HydrophobicContact CB-CB 4.46Å; A1016-A1135 HydrophobicContact CB-CB 4.29Å; A1016-A1135 PolarHBondContact N-O 2.8Å; L1115-A1135 HydrophobicContact CD1-CB 3.68Å; L1130-A1135 HydrophobicContact CD2-CB 3.64Å; L1130-A1135 HydrophobicContact CG-CB 3.94Å; P1131-A1135 PolarHBondContact O-N 2.96Å; L1132-A1135 WeakPolarHBondContact O-CB 3.39Å; L1132-A1135 PolarHBondContact O-N 2.86Å; A1135-F1137 PolarHBondContact O-N 3.42Å
1136	F	85.8	Confident	88.7	Confident	3 Å²	3	31.6 Å²	31.6	1%	0.013	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-68.8	130.4	-175.9	-62.1	-63	0	0	0	111.7	R994 E1014 Q1015 L1132 A1138 L1173 L1177 F1178	R994-F1136 PolarHBondContact NH2-O 2.92Å; E1014-F1136 CarbonylContact O-C 3.4Å; E1014-F1136 WeakPolarHBondContact O-CA 3.42Å; E1014-F1136 VanDerWaalsContact O-CD1 3.3Å; E1014-F1136 WeakPolarHBondContact O-CD1 3.35Å; E1014-F1136 WeakPolarHBondContact OE1-CD1 3.36Å; E1014-F1136 WeakPolarHBondContact OE1-CE1 3.3Å; Q1015-F1136 HydrophobicContact CB-CD1 3.92Å; Q1015-F1136 HydrophobicContact CB-CE1 4.23Å; L1132-F1136 HydrophobicContact CD1-CE1 4.18Å; L1132-F1136 HydrophobicContact CD1-CZ 4.02Å; L1132-F1136 HydrophobicContact CD2-CZ 4.02Å; L1132-F1136 HydrophobicContact CG-CE1 4.28Å; L1132-F1136 HydrophobicContact CG-CE2 3.96Å; L1132-F1136 HydrophobicContact CG-CZ 3.61Å; L1132-F1136 VanDerWaalsContact O-CD2 3.24Å; L1132-F1136 WeakPolarHBondContact O-CD2 3.46Å; L1132-F1136 WeakPolarHBondContact O-CE2 3.41Å; F1136-A1138 PolarHBondContact O-N 3.28Å; F1136-L1173 HydrophobicContact CZ-CD2 4.13Å; F1136-L1177 HydrophobicContact CE1-CD1 4.43Å; F1136-L1177 HydrophobicContact CE2-CD1 4.21Å; F1136-L1177 HydrophobicContact CZ-CD1 3.84Å; F1136-F1178 HydrophobicContact CB-CD1 3.97Å; F1136-F1178 HydrophobicContact CB-CE1 4.14Å; F1136-F1178 HydrophobicContact CD1-CD1 4.19Å; F1136-F1178 AromaticContact CD1-CE1 3.63Å; F1136-F1178 HydrophobicContact CD1-CE1 3.63Å; F1136-F1178 AromaticContact CD2-CD1 3.93Å; F1136-F1178 HydrophobicContact CD2-CD1 3.93Å; F1136-F1178 HydrophobicContact CD2-CE1 4.14Å; F1136-F1178 HydrophobicContact CE1-CE1 4Å; F1136-F1178 HydrophobicContact CE2-CD1 4.46Å; F1136-F1178 HydrophobicContact CE2-CE1 4.46Å; F1136-F1178 AromaticContact CG-CD1 3.78Å; F1136-F1178 HydrophobicContact CG-CD1 3.78Å; F1136-F1178 AromaticContact CG-CE1 3.72Å; F1136-F1178 HydrophobicContact CG-CE1 3.72Å; F1136-F1178 HydrophobicContact CZ-CE1 4.39Å
1137	F	83.2	Confident	88.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	41.9	179.5	-47.7	-77.1	0	0	0	114.5	A678 L681 M682 I685 N1013 E1014 A1135 P1139 F1178	A678-F1137 HydrophobicContact CB-CD2 3.63Å; A678-F1137 HydrophobicContact CB-CE2 4.15Å; L681-F1137 HydrophobicContact CB-CD1 4.12Å; L681-F1137 HydrophobicContact CB-CD2 4.34Å; L681-F1137 HydrophobicContact CB-CG 4.02Å; L681-F1137 HydrophobicContact CD1-CB 3.63Å; L681-F1137 HydrophobicContact CD1-CD2 4.45Å; L681-F1137 HydrophobicContact CD1-CG 3.97Å; M682-F1137 HydrophobicContact CG-CE1 4.34Å; M682-F1137 HydrophobicContact CG-CE2 3.58Å; M682-F1137 HydrophobicContact CG-CZ 3.34Å; M682-F1137 HydrophobicContact SD-CE1 4.02Å; M682-F1137 HydrophobicContact SD-CE2 4.07Å; M682-F1137 HydrophobicContact SD-CZ 3.24Å; M682-F1137 WeakPolarHBondContact SD-CZ 3.31Å; I685-F1137 HydrophobicContact CD1-CD1 3.47Å; I685-F1137 VanDerWaalsContact CD1-CD1 3.47Å; I685-F1137 HydrophobicContact CD1-CE1 3.25Å; I685-F1137 HydrophobicContact CD1-CZ 4.48Å; N1013-F1137 HydrophobicContact CB-CD1 4.48Å; N1013-F1137 VanDerWaalsContact O-CA 3.24Å; N1013-F1137 WeakPolarHBondContact O-CA 3.41Å; N1013-F1137 WeakPolarHBondContact O-CD1 3.32Å; N1013-F1137 PolarHBondContact O-N 3.45Å; N1013-F1137 VanDerWaalsContact O-N 3.16Å; E1014-F1137 HydrophobicContact CB-CE1 4.43Å; E1014-F1137 HydrophobicContact CB-CZ 4.33Å; E1014-F1137 HydrophobicContact CG-CZ 4.13Å; E1014-F1137 PolarHBondContact O-N 3.4Å; E1014-F1137 VanDerWaalsContact O-N 3.12Å; A1135-F1137 PolarHBondContact O-N 3.42Å; F1137-P1139 WeakPolarHBondContact O-CD 3.46Å; F1137-F1178 AromaticContact CE2-CD1 3.89Å; F1137-F1178 HydrophobicContact CE2-CD1 3.89Å; F1137-F1178 AromaticContact CE2-CE1 3.71Å; F1137-F1178 HydrophobicContact CE2-CE1 3.71Å; F1137-F1178 HydrophobicContact CE2-CZ 4.36Å; F1137-F1178 HydrophobicContact CZ-CE1 4.4Å
1138	A	84.9	Confident	88.7	Confident	4 Å²	4	22 Å²	22	3%	0.033	12%	0.119	C	C	.	.			trans	-122.1	60.2	-175.7	0	0	0	0	0	111.7	E1134 F1136 E1140 K1141	E1134-A1138 WeakPolarHBondContact O-CB 3.48Å; F1136-A1138 PolarHBondContact O-N 3.28Å; A1138-E1140 VanDerWaalsContact CA-OE2 3.31Å; A1138-E1140 WeakPolarHBondContact CA-OE2 3.39Å; A1138-E1140 PolarHBondContact O-N 3.33Å; A1138-E1140 VanDerWaalsContact O-N 3.14Å; A1138-K1141 HydrophobicContact CB-CB 4.35Å; A1138-K1141 HydrophobicContact CB-CG 3.66Å; A1138-K1141 VanDerWaalsContact O-CB 3.27Å; A1138-K1141 WeakPolarHBondContact O-CB 3.5Å; A1138-K1141 PolarHBondContact O-N 2.77Å
1139	P	88.8	Confident	88.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.1	-26.3	179.7	22.4	-32	0	0	0	113.3	C992 V1002 L1019 F1137 K1141 V1142 L1143	C992-P1139 HydrophobicContact CB-CG 3.68Å; V1002-P1139 HydrophobicContact CG2-CB 3.78Å; V1002-P1139 HydrophobicContact CG2-CG 3.59Å; L1019-P1139 HydrophobicContact CD2-CB 3.91Å; F1137-P1139 WeakPolarHBondContact O-CD 3.46Å; P1139-K1141 PolarHBondContact O-N 2.74Å; P1139-V1142 PolarHBondContact O-N 2.71Å; P1139-L1143 WeakPolarHBondContact O-CG 3.17Å; P1139-L1143 PolarHBondContact O-N 3.15Å
1140	E	86.5	Confident	88.8	Confident	45 Å²	45	18.9 Å²	18.9	21%	0.21	10%	0.102	C	C	.	.	H	α-helix	trans	-59.2	-31	173.3	70	-78.1	-176.4	0	0	112.6	H1000 V1002 A1138 V1142 L1143 H1144	H1000-E1140 WeakPolarHBondContact O-CB 3.33Å; V1002-E1140 HydrophobicContact CG2-CB 3.95Å; V1002-E1140 VanDerWaalsContact CG2-N 3.35Å; A1138-E1140 VanDerWaalsContact CA-OE2 3.31Å; A1138-E1140 WeakPolarHBondContact CA-OE2 3.39Å; A1138-E1140 PolarHBondContact O-N 3.33Å; A1138-E1140 VanDerWaalsContact O-N 3.14Å; E1140-V1142 VanDerWaalsContact C-N 3.28Å; E1140-V1142 PolarHBondContact O-N 2.7Å; E1140-L1143 PolarHBondContact O-N 3.1Å; E1140-H1144 WeakPolarHBondContact O-CB 3.49Å; E1140-H1144 PolarHBondContact O-N 2.96Å
1141	K	88.5	Confident	89	Confident	43 Å²	43	18.9 Å²	18.9	19%	0.187	10%	0.102	C	C	.	.	H	α-helix	trans	-68.3	-27.9	176.1	-61.3	-66.4	-177.4	179	0	112.2	L1130 A1138 P1139 E1145	L1130-K1141 HydrophobicContact CD1-CD 4.3Å; L1130-K1141 HydrophobicContact CD1-CG 4.38Å; L1130-K1141 HydrophobicContact CD2-CB 4.32Å; A1138-K1141 HydrophobicContact CB-CB 4.35Å; A1138-K1141 HydrophobicContact CB-CG 3.66Å; A1138-K1141 VanDerWaalsContact O-CB 3.27Å; A1138-K1141 WeakPolarHBondContact O-CB 3.5Å; A1138-K1141 PolarHBondContact O-N 2.77Å; P1139-K1141 PolarHBondContact O-N 2.74Å; K1141-E1145 HydrophobicContact CD-CG 4.4Å; K1141-E1145 VanDerWaalsContact CD-OE1 3.23Å; K1141-E1145 WeakPolarHBondContact CD-OE1 3.41Å; K1141-E1145 VanDerWaalsContact CD-OE2 3.29Å; K1141-E1145 WeakPolarHBondContact CD-OE2 3.5Å; K1141-E1145 WeakPolarHBondContact CE-OE1 3.34Å; K1141-E1145 IonicContact NZ-OE1 3.86Å; K1141-E1145 PolarHBondContact NZ-OE1 2.9Å; K1141-E1145 IonicContact NZ-OE2 2.75Å; K1141-E1145 PolarHBondContact NZ-OE2 3.15Å; K1141-E1145 WeakPolarHBondContact O-CB 3.5Å
1142	V	91.2	Very high	89.3	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-82.3	-48	173.7	179.1	0	0	0	0	109.8	Y969 A1016 L1019 P1139 E1140 G1147 I1148 L1151	Y969-V1142 HydrophobicContact CE1-CG1 4.03Å; A1016-V1142 HydrophobicContact CB-CG2 3.81Å; L1019-V1142 HydrophobicContact CD2-CB 4.27Å; L1019-V1142 HydrophobicContact CD2-CG2 3.93Å; L1019-V1142 HydrophobicContact CG-CG2 4.46Å; P1139-V1142 PolarHBondContact O-N 2.71Å; E1140-V1142 VanDerWaalsContact C-N 3.28Å; E1140-V1142 PolarHBondContact O-N 2.7Å; V1142-G1147 WeakPolarHBondContact O-CA 3.47Å; V1142-G1147 PolarHBondContact O-N 3.4Å; V1142-I1148 HydrophobicContact CG1-CG2 3.66Å; V1142-L1151 HydrophobicContact CG2-CD1 3.98Å
1143	L	88.6	Confident	89.6	Confident	7 Å²	7	16.8 Å²	16.8	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-73	-32.8	-172.3	-64.4	-179.5	0	0	0	114.4	T962 Y969 F972 V1002 L1005 P1139 E1140	T962-L1143 HydrophobicContact CG2-CD1 4.33Å; T962-L1143 HydrophobicContact CG2-CD2 4Å; Y969-L1143 HydrophobicContact CD1-CD2 3.58Å; Y969-L1143 HydrophobicContact CD2-CD2 3.6Å; Y969-L1143 HydrophobicContact CE1-CD2 3.79Å; Y969-L1143 HydrophobicContact CE2-CD2 3.82Å; Y969-L1143 HydrophobicContact CG-CD2 3.48Å; Y969-L1143 VanDerWaalsContact CG-CD2 3.48Å; F972-L1143 HydrophobicContact CE1-CD1 3.76Å; F972-L1143 HydrophobicContact CZ-CD1 3.62Å; V1002-L1143 HydrophobicContact CB-CD1 4.34Å; V1002-L1143 HydrophobicContact CG1-CD1 4.28Å; V1002-L1143 HydrophobicContact CG2-CD1 4Å; L1005-L1143 HydrophobicContact CD1-CD2 4.28Å; P1139-L1143 WeakPolarHBondContact O-CG 3.17Å; P1139-L1143 PolarHBondContact O-N 3.15Å; E1140-L1143 PolarHBondContact O-N 3.1Å
1144	H	86.3	Confident	90.4	Very high	83 Å²	83	16.7 Å²	16.7	38%	0.384	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-14.1	-172.6	-58.9	-49.4	0	0	0	114.2	E1140	E1140-H1144 WeakPolarHBondContact O-CB 3.49Å; E1140-H1144 PolarHBondContact O-N 2.96Å
1145	E	88.1	Confident	91	Very high	39 Å²	39	13.5 Å²	13.5	18%	0.182	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	51.1	-177.7	-55.2	-175.5	-171.8	0	0	112.9	R1117 F1127 K1141	R1117-E1145 IonicContact CZ-OE2 4Å; R1117-E1145 IonicContact NH1-OE2 2.89Å; R1117-E1145 PolarHBondContact NH1-OE2 2.78Å; R1117-E1145 IonicContact NH2-OE2 3.26Å; F1127-E1145 HydrophobicContact CB-CB 4.11Å; F1127-E1145 HydrophobicContact CD1-CB 3.82Å; F1127-E1145 HydrophobicContact CD1-CG 3.79Å; F1127-E1145 HydrophobicContact CD2-CB 3.75Å; F1127-E1145 WeakPolarHBondContact CD2-O 3.34Å; F1127-E1145 HydrophobicContact CE1-CB 4.15Å; F1127-E1145 HydrophobicContact CE1-CG 4.03Å; F1127-E1145 VanDerWaalsContact CE2-C 3.41Å; F1127-E1145 VanDerWaalsContact CE2-CA 3.45Å; F1127-E1145 HydrophobicContact CE2-CB 4.12Å; F1127-E1145 HydrophobicContact CG-CB 3.61Å; F1127-E1145 HydrophobicContact CG-CG 4.11Å; F1127-E1145 HydrophobicContact CZ-CB 4.3Å; K1141-E1145 HydrophobicContact CD-CG 4.4Å; K1141-E1145 VanDerWaalsContact CD-OE1 3.23Å; K1141-E1145 WeakPolarHBondContact CD-OE1 3.41Å; K1141-E1145 VanDerWaalsContact CD-OE2 3.29Å; K1141-E1145 WeakPolarHBondContact CD-OE2 3.5Å; K1141-E1145 WeakPolarHBondContact CE-OE1 3.34Å; K1141-E1145 IonicContact NZ-OE1 3.86Å; K1141-E1145 PolarHBondContact NZ-OE1 2.9Å; K1141-E1145 IonicContact NZ-OE2 2.75Å; K1141-E1145 PolarHBondContact NZ-OE2 3.15Å; K1141-E1145 WeakPolarHBondContact O-CB 3.5Å
1146	G	83	Confident	91.4	Very high	29 Å²	29	13.5 Å²	13.5	30%	0.299	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.4	0.6	168.2	0	0	0	0	0	116.7	P1150	G1146-P1150 WeakPolarHBondContact O-CD 3.42Å
1147	G	91.4	Very high	91.9	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	7%	0.072	C	C	.	.			trans	79.2	-160.6	-178.9	0	0	0	0	0	113.2	Y969 V1142	Y969-G1147 VanDerWaalsContact OH-CA 3.28Å; Y969-G1147 WeakPolarHBondContact OH-CA 3.23Å; V1142-G1147 WeakPolarHBondContact O-CA 3.47Å; V1142-G1147 PolarHBondContact O-N 3.4Å
1148	I	95.3	Very high	92.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-81.1	-26.8	-179.8	64.6	174.4	0	0	0	112.8	Y969 A1020 T1023 R1027 V1142 L1151 L1152	Y969-I1148 HydrophobicContact CE1-CG2 4.14Å; A1020-I1148 HydrophobicContact CB-CB 3.83Å; A1020-I1148 HydrophobicContact CB-CG2 3.83Å; T1023-I1148 HydrophobicContact CG2-CD1 4.19Å; T1023-I1148 HydrophobicContact CG2-CG2 4.21Å; R1027-I1148 VanDerWaalsContact NH1-CD1 3.26Å; V1142-I1148 HydrophobicContact CG1-CG2 3.66Å; I1148-L1151 WeakPolarHBondContact O-CB 3.1Å; I1148-L1151 PolarHBondContact O-N 2.84Å; I1148-L1151 VanDerWaalsContact O-N 3.15Å; I1148-L1152 HydrophobicContact CB-CD1 4.29Å; I1148-L1152 HydrophobicContact CB-CG 4.44Å; I1148-L1152 HydrophobicContact CD1-CD1 3.81Å; I1148-L1152 HydrophobicContact CG1-CD1 3.86Å; I1148-L1152 WeakPolarHBondContact O-CG 3.43Å; I1148-L1152 PolarHBondContact O-N 2.96Å
1149	D	96	Very high	93.2	Very high	7 Å²	7	14 Å²	14	4%	0.037	8%	0.076	C	C	.	.	H	α-helix	trans	-55.9	-48.7	-172	-95.6	34.8	0	0	0	114.6	L1151 L1152 R1153 G1312 D1313 E1314 I1315	D1149-L1151 VanDerWaalsContact C-N 3.26Å; D1149-L1151 PolarHBondContact O-N 2.68Å; D1149-L1152 PolarHBondContact O-N 3.07Å; D1149-R1153 WeakPolarHBondContact O-CG 3.33Å; D1149-R1153 PolarHBondContact O-N 3.1Å; D1149-R1153 IonicContact OD2-CZ 3.56Å; D1149-R1153 IonicContact OD2-NH2 3.59Å; D1149-R1153 PolarHBondContact OD2-NH2 3.41Å; D1149-G1312 VanDerWaalsContact OD1-CA 3.3Å; D1149-G1312 WeakPolarHBondContact OD1-CA 3.38Å; D1149-D1313 PolarHBondContact OD1-N 2.9Å; D1149-D1313 PolarHBondContact OD2-N 3Å; D1149-E1314 WeakPolarHBondContact OD2-CA 3.47Å; D1149-E1314 PolarHBondContact OD2-N 3.43Å; D1149-I1315 PolarHBondContact OD2-N 2.8Å
1150	P	97	Very high	93.6	Very high	4 Å²	4	14 Å²	14	3%	0.026	8%	0.076	C	C	.	.	H	α-helix	trans	-60.7	-37.4	178.6	-24.6	34.9	0	0	0	113.3	R1117 L1118 D1125 G1146 G1154	R1117-P1150 WeakPolarHBondContact CA-O 3.28Å; R1117-P1150 HydrophobicContact CB-CB 3.89Å; R1117-P1150 HydrophobicContact CG-CB 4.24Å; L1118-P1150 PolarHBondContact N-O 2.87Å; L1118-P1150 VanDerWaalsContact O-CA 3.27Å; L1118-P1150 WeakPolarHBondContact O-CA 3.37Å; D1125-P1150 HydrophobicContact CB-CB 4.23Å; G1146-P1150 WeakPolarHBondContact O-CD 3.42Å; P1150-G1154 PolarHBondContact O-N 3.01Å
1151	L	97.4	Very high	94.1	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-69.1	-48.3	176.3	-66.7	165.8	0	0	0	110.4	A1016 L1115 R1117 V1142 I1148 D1149 R1153 G1154 M1155	A1016-L1151 HydrophobicContact CB-CD1 3.92Å; L1115-L1151 HydrophobicContact CB-CD2 4.16Å; L1115-L1151 HydrophobicContact CD1-CD2 4.41Å; R1117-L1151 HydrophobicContact CG-CD2 3.74Å; R1117-L1151 HydrophobicContact CG-CG 4.24Å; V1142-L1151 HydrophobicContact CG2-CD1 3.98Å; I1148-L1151 WeakPolarHBondContact O-CB 3.1Å; I1148-L1151 PolarHBondContact O-N 2.84Å; I1148-L1151 VanDerWaalsContact O-N 3.15Å; D1149-L1151 VanDerWaalsContact C-N 3.26Å; D1149-L1151 PolarHBondContact O-N 2.68Å; L1151-R1153 PolarHBondContact O-N 2.97Å; L1151-G1154 CarbonylContact O-C 3.5Å; L1151-G1154 WeakPolarHBondContact O-CA 3.01Å; L1151-G1154 PolarHBondContact O-N 3.44Å; L1151-G1154 VanDerWaalsContact O-N 3.09Å; L1151-M1155 VanDerWaalsContact O-CG 3.25Å; L1151-M1155 WeakPolarHBondContact O-CG 3.43Å; L1151-M1155 PolarHBondContact O-N 2.57Å
1152	L	97.7	Very high	94.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.8	-48.9	177.6	-68.2	176.4	0	0	0	111.3	A1020 M1021 L1024 I1148 D1149 G1154 M1155 F1156 L1308 I1315	A1020-L1152 HydrophobicContact CB-CD2 4.34Å; M1021-L1152 HydrophobicContact SD-CD2 4.26Å; L1024-L1152 HydrophobicContact CD1-CD1 4.01Å; I1148-L1152 HydrophobicContact CB-CD1 4.29Å; I1148-L1152 HydrophobicContact CB-CG 4.44Å; I1148-L1152 HydrophobicContact CD1-CD1 3.81Å; I1148-L1152 HydrophobicContact CG1-CD1 3.86Å; I1148-L1152 WeakPolarHBondContact O-CG 3.43Å; I1148-L1152 PolarHBondContact O-N 2.96Å; D1149-L1152 PolarHBondContact O-N 3.07Å; L1152-G1154 VanDerWaalsContact C-N 3.35Å; L1152-G1154 PolarHBondContact O-N 3.1Å; L1152-M1155 HydrophobicContact CD2-CE 3.64Å; L1152-M1155 HydrophobicContact CG-CE 4.45Å; L1152-M1155 PolarHBondContact O-N 3.13Å; L1152-M1155 VanDerWaalsContact O-N 3.12Å; L1152-F1156 WeakPolarHBondContact O-CD1 3.48Å; L1152-F1156 PolarHBondContact O-N 3.22Å; L1152-L1308 HydrophobicContact CB-CD2 4.21Å; L1152-L1308 HydrophobicContact CD1-CD2 3.92Å; L1152-L1308 HydrophobicContact CD2-CD2 3.81Å; L1152-L1308 HydrophobicContact CG-CD2 4.2Å; L1152-I1315 HydrophobicContact CB-CD1 3.91Å; L1152-I1315 HydrophobicContact CD1-CD1 3.8Å
1153	R	97.7	Very high	94.7	Very high	8 Å²	8	12.7 Å²	12.7	3%	0.03	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-45.9	174	-67	-167.3	-159.9	82.3	9.7	111.7	L1118 N1119 D1149 L1151 M1155 F1156 A1157 E1314	L1118-R1153 HydrophobicContact CB-CB 3.91Å; L1118-R1153 PolarHBondContact O-NH1 2.93Å; N1119-R1153 WeakPolarHBondContact O-CD 3.36Å; D1149-R1153 WeakPolarHBondContact O-CG 3.33Å; D1149-R1153 PolarHBondContact O-N 3.1Å; D1149-R1153 IonicContact OD2-CZ 3.56Å; D1149-R1153 IonicContact OD2-NH2 3.59Å; D1149-R1153 PolarHBondContact OD2-NH2 3.41Å; L1151-R1153 PolarHBondContact O-N 2.97Å; R1153-M1155 PolarHBondContact O-N 3.07Å; R1153-F1156 VanDerWaalsContact CA-CE1 3.41Å; R1153-F1156 HydrophobicContact CB-CE1 4.2Å; R1153-F1156 HydrophobicContact CB-CZ 4.06Å; R1153-F1156 HydrophobicContact CG-CE1 3.95Å; R1153-F1156 HydrophobicContact CG-CZ 3.72Å; R1153-F1156 PolarHBondContact O-N 2.89Å; R1153-A1157 WeakPolarHBondContact O-CB 3.41Å; R1153-A1157 PolarHBondContact O-N 3.36Å; R1153-E1314 VanDerWaalsContact NH2-C 3.28Å; R1153-E1314 PolarHBondContact NH2-O 3.42Å
1154	G	97.3	Very high	94.9	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-59	-34.9	175.9	0	0	0	0	0	113.6	L1116 P1150 L1151 L1152 G1158	L1116-G1154 WeakPolarHBondContact O-CA 3.3Å; P1150-G1154 PolarHBondContact O-N 3.01Å; L1151-G1154 CarbonylContact O-C 3.5Å; L1151-G1154 WeakPolarHBondContact O-CA 3.01Å; L1151-G1154 PolarHBondContact O-N 3.44Å; L1151-G1154 VanDerWaalsContact O-N 3.09Å; L1152-G1154 VanDerWaalsContact C-N 3.35Å; L1152-G1154 PolarHBondContact O-N 3.1Å; G1154-G1158 VanDerWaalsContact O-CA 3.24Å; G1154-G1158 WeakPolarHBondContact O-CA 3.36Å; G1154-G1158 PolarHBondContact O-N 3.06Å
1155	M	97.9	Very high	95.3	Very high	5 Å²	5	12.7 Å²	12.7	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-75.5	-43.8	-179.5	-67.3	-171.8	-67	0	0	112.8	H838 M839 Q842 M1021 L1151 L1152 R1153	H838-M1155 CarbonylContact C-O 3.19Å; H838-M1155 WeakPolarHBondContact CA-O 3.2Å; H838-M1155 WeakPolarHBondContact CB-O 3.49Å; H838-M1155 PolarHBondContact N-O 2.97Å; H838-M1155 VanDerWaalsContact N-O 3.13Å; M839-M1155 HydrophobicContact CE-CB 3.84Å; M839-M1155 HydrophobicContact CE-CE 4.33Å; M839-M1155 PolarHBondContact N-O 3.4Å; Q842-M1155 HydrophobicContact CB-SD 3.79Å; Q842-M1155 HydrophobicContact CG-CE 4.26Å; Q842-M1155 HydrophobicContact CG-SD 3.44Å; Q842-M1155 WeakPolarHBondContact CG-SD 3.22Å; Q842-M1155 PolarHBondContact OE1-SD 3.14Å; M1021-M1155 HydrophobicContact SD-CE 4.43Å; L1151-M1155 VanDerWaalsContact O-CG 3.25Å; L1151-M1155 WeakPolarHBondContact O-CG 3.43Å; L1151-M1155 PolarHBondContact O-N 2.57Å; L1152-M1155 HydrophobicContact CD2-CE 3.64Å; L1152-M1155 HydrophobicContact CG-CE 4.45Å; L1152-M1155 PolarHBondContact O-N 3.13Å; L1152-M1155 VanDerWaalsContact O-N 3.12Å; R1153-M1155 PolarHBondContact O-N 3.07Å
1156	F	97.1	Very high	95.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-80.7	-29.5	178.2	68	-114.1	0	0	0	112.7	S837 M839 F1122 L1152 R1153 L1308 I1315 V1318 Q1319 V1322 Y1334	S837-F1156 VanDerWaalsContact CB-O 3.23Å; S837-F1156 WeakPolarHBondContact CB-O 3.26Å; M839-F1156 HydrophobicContact CE-CB 4.43Å; F1122-F1156 HydrophobicContact CE1-CD2 4.44Å; F1122-F1156 AromaticContact CE1-CE2 3.55Å; F1122-F1156 HydrophobicContact CE1-CE2 3.55Å; F1122-F1156 HydrophobicContact CE1-CZ 4.2Å; F1122-F1156 AromaticContact CZ-CE2 3.77Å; F1122-F1156 HydrophobicContact CZ-CE2 3.77Å; F1122-F1156 HydrophobicContact CZ-CZ 4.14Å; L1152-F1156 WeakPolarHBondContact O-CD1 3.48Å; L1152-F1156 PolarHBondContact O-N 3.22Å; R1153-F1156 VanDerWaalsContact CA-CE1 3.41Å; R1153-F1156 HydrophobicContact CB-CE1 4.2Å; R1153-F1156 HydrophobicContact CB-CZ 4.06Å; R1153-F1156 HydrophobicContact CG-CE1 3.95Å; R1153-F1156 HydrophobicContact CG-CZ 3.72Å; R1153-F1156 PolarHBondContact O-N 2.89Å; F1156-L1308 HydrophobicContact CD1-CD1 4.08Å; F1156-I1315 HydrophobicContact CE1-CD1 4.37Å; F1156-I1315 HydrophobicContact CE1-CG2 4.48Å; F1156-V1318 HydrophobicContact CE1-CG1 4.15Å; F1156-V1318 HydrophobicContact CE2-CG1 4.49Å; F1156-V1318 HydrophobicContact CZ-CG1 3.96Å; F1156-Q1319 PolarHBondContact O-NE2 3.38Å; F1156-V1322 HydrophobicContact CB-CB 4Å; F1156-V1322 HydrophobicContact CB-CG1 4.33Å; F1156-Y1334 HydrophobicContact CD2-CE1 4.12Å; F1156-Y1334 HydrophobicContact CE2-CD1 4.23Å; F1156-Y1334 HydrophobicContact CE2-CE1 4.07Å
1157	A	96.9	Very high	96.2	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.008	7%	0.07	C	C	.	.	H	α-helix	trans	-88	-31.7	179.1	0	0	0	0	0	113.7	L1118 F1122 R1153 F1329 Y1334	L1118-A1157 HydrophobicContact CD1-CB 3.67Å; F1122-A1157 HydrophobicContact CD1-CB 3.87Å; F1122-A1157 HydrophobicContact CE1-CB 3.95Å; R1153-A1157 WeakPolarHBondContact O-CB 3.41Å; R1153-A1157 PolarHBondContact O-N 3.36Å; A1157-F1329 HydrophobicContact CB-CD1 4.23Å; A1157-F1329 HydrophobicContact CB-CE1 4.11Å; A1157-Y1334 WeakPolarHBondContact CA-OH 2.99Å; A1157-Y1334 HydrophobicContact CB-CE1 4.43Å; A1157-Y1334 WeakPolarHBondContact CB-OH 3.37Å
1158	G	96.5	Very high	96.4	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.01	7%	0.07	C	C	.	.	S	Bend	trans	-80.5	153	-178.8	0	0	0	0	0	113.1	S837 H838 G1154	S837-G1158 CarbonylContact C-O 3.34Å; S837-G1158 WeakPolarHBondContact CA-O 3.49Å; S837-G1158 WeakPolarHBondContact CB-O 3.29Å; H838-G1158 PolarHBondContact N-O 3.33Å; G1154-G1158 VanDerWaalsContact O-CA 3.24Å; G1154-G1158 WeakPolarHBondContact O-CA 3.36Å; G1154-G1158 PolarHBondContact O-N 3.06Å
1159	P	97.6	Very high	96.4	Very high	16 Å²	16	13.7 Å²	13.7	10%	0.104	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	145.5	177	27.2	-32.1	0	0	0	112.5	D832 D833 Q1112 N1325	D832-P1159 HydrophobicContact CB-CB 3.68Å; D832-P1159 HydrophobicContact CB-CG 3.69Å; D832-P1159 WeakPolarHBondContact OD1-CG 3.13Å; D833-P1159 WeakPolarHBondContact O-CB 3.16Å; Q1112-P1159 WeakPolarHBondContact CG-O 3.22Å; Q1112-P1159 PolarHBondContact NE2-O 2.62Å; P1159-N1325 WeakPolarHBondContact CB-ND2 3.46Å
1160	A	97.9	Very high	96.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	163.7	157.8	0	0	0	0	0	110	D833 Y836 S837 Q1112	D833-A1160 HydrophobicContact CB-CB 4.14Å; D833-A1160 VanDerWaalsContact CB-O 3.3Å; D833-A1160 WeakPolarHBondContact CB-O 3.44Å; D833-A1160 PolarHBondContact N-O 2.72Å; Y836-A1160 PolarHBondContact O-N 3.42Å; S837-A1160 WeakPolarHBondContact O-CB 3.03Å; Q1112-A1160 PolarHBondContact NE2-O 2.92Å
1161	K	97.3	Very high	96.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.5	167.4	176.5	-174.4	161	-57.9	0	109.3	V830 T1109 L1110 I1111 Q1112 E1167 Y1168	V830-K1161 HydrophobicContact CG1-CB 4.4Å; V830-K1161 HydrophobicContact CG1-CD 4.15Å; V830-K1161 HydrophobicContact CG1-CG 3.94Å; T1109-K1161 PolarHBondContact O-NZ 2.85Å; L1110-K1161 WeakPolarHBondContact CA-O 3.39Å; L1110-K1161 WeakPolarHBondContact CD2-O 3.46Å; L1110-K1161 WeakPolarHBondContact O-CB 3.12Å; L1110-K1161 PolarHBondContact O-N 2.88Å; I1111-K1161 WeakPolarHBondContact O-CD 3.37Å; Q1112-K1161 HydrophobicContact CG-CB 4.46Å; K1161-E1167 WeakPolarHBondContact CE-O 3.35Å; K1161-E1167 PolarHBondContact NZ-O 3Å; K1161-Y1168 WeakPolarHBondContact CE-O 3.4Å; K1161-Y1168 PolarHBondContact NZ-O 3.32Å
1162	L	96.8	Very high	95.7	Very high	47 Å²	47	15.5 Å²	15.5	25%	0.246	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-76.3	130.2	175.9	-170.5	71.4	0	0	0	111	T831 D833 K1164	T831-L1162 HydrophobicContact CG2-CB 4.43Å; T831-L1162 HydrophobicContact CG2-CD2 4.17Å; T831-L1162 WeakPolarHBondContact O-CB 3.48Å; T831-L1162 PolarHBondContact O-N 2.86Å; D833-L1162 HydrophobicContact CB-CB 4.36Å; D833-L1162 HydrophobicContact CB-CD1 4.31Å; L1162-K1164 HydrophobicContact CD2-CD 4.05Å; L1162-K1164 PolarHBondContact O-N 3.23Å
1163	P	95.1	Very high	95.4	Very high	13 Å²	13	15.7 Å²	15.7	8%	0.084	8%	0.083	C	C	.	.			trans	-81	109.5	170.1	30.5	-29.1	0	0	0	109.9	T1109 L1110 T1256 R1261	T1109-P1163 WeakPolarHBondContact OG1-CB 3.5Å; L1110-P1163 HydrophobicContact CD2-CB 4.48Å; L1110-P1163 HydrophobicContact CD2-CG 3.83Å; P1163-T1256 HydrophobicContact CG-CG2 4.12Å; P1163-R1261 HydrophobicContact CG-CB 4.29Å
1164	K	93.3	Very high	95.1	Very high	69 Å²	69	15.3 Å²	15.3	30%	0.3	8%	0.081	S	C	.	.	B	Isolated β-bridge	trans	-147	164.1	179.8	61.4	176.6	-106.9	-151.2	0	111.6	T831 L1162 F1166 E1167	T831-K1164 HydrophobicContact CG2-CD 4.32Å; T831-K1164 PolarHBondContact OG1-NZ 2.84Å; L1162-K1164 HydrophobicContact CD2-CD 4.05Å; L1162-K1164 PolarHBondContact O-N 3.23Å; K1164-F1166 PolarHBondContact O-N 3.49Å; K1164-E1167 VanDerWaalsContact CE-CD 3.47Å; K1164-E1167 WeakPolarHBondContact CE-OE1 3.36Å; K1164-E1167 HydrophobicContact CG-CB 3.99Å; K1164-E1167 IonicContact NZ-OE1 2.74Å; K1164-E1167 PolarHBondContact NZ-OE1 3.19Å; K1164-E1167 IonicContact NZ-OE2 3.3Å; K1164-E1167 CarbonylContact O-C 3.6Å; K1164-E1167 PolarHBondContact O-N 3.46Å
1165	A	94.3	Very high	94.5	Very high	21 Å²	21	16.2 Å²	16.2	17%	0.174	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	133.2	-179	0	0	0	0	0	112.6	E1167 E1228 L1231	A1165-E1167 PolarHBondContact O-N 3.47Å; A1165-E1167 VanDerWaalsContact O-N 3.14Å; A1165-E1228 VanDerWaalsContact CB-CD 3.4Å; A1165-E1228 HydrophobicContact CB-CG 3.77Å; A1165-E1228 VanDerWaalsContact CB-OE1 3.31Å; A1165-E1228 WeakPolarHBondContact CB-OE1 3.47Å; A1165-L1231 HydrophobicContact CB-CD1 4.16Å
1166	F	94.9	Very high	93.7	Very high	78 Å²	78	20.1 Å²	20.1	34%	0.342	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	3.9	-176.9	-44.6	-78	0	0	0	116.3	T827 K1164 E1228 E1230 L1231	T827-F1166 PolarHBondContact OG1-O 3.34Å; K1164-F1166 PolarHBondContact O-N 3.49Å; F1166-E1228 HydrophobicContact CE2-CB 4.15Å; F1166-E1228 HydrophobicContact CE2-CG 3.79Å; F1166-E1228 HydrophobicContact CZ-CB 3.94Å; F1166-E1228 HydrophobicContact CZ-CG 4.12Å; F1166-E1230 HydrophobicContact CE1-CB 4.18Å; F1166-E1230 HydrophobicContact CE1-CG 4.19Å; F1166-E1230 HydrophobicContact CZ-CB 3.97Å; F1166-E1230 HydrophobicContact CZ-CG 4.42Å; F1166-L1231 HydrophobicContact CD1-CD2 3.68Å; F1166-L1231 HydrophobicContact CD1-CG 4.22Å; F1166-L1231 HydrophobicContact CE1-CD1 4.47Å; F1166-L1231 HydrophobicContact CE1-CD2 3.42Å; F1166-L1231 VanDerWaalsContact CE1-CD2 3.42Å; F1166-L1231 HydrophobicContact CE1-CG 3.59Å; F1166-L1231 HydrophobicContact CZ-CD1 4.48Å; F1166-L1231 HydrophobicContact CZ-CD2 4.16Å; F1166-L1231 HydrophobicContact CZ-CG 3.8Å
1167	E	95.4	Very high	92.8	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.028	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-130.9	63.8	177.3	-60.3	176.6	-144	0	0	109.8	T827 K829 T831 K1161 K1164 A1165	T827-E1167 HydrophobicContact CG2-CB 4.21Å; K829-E1167 HydrophobicContact CB-CG 4.21Å; K829-E1167 HydrophobicContact CD-CG 4.37Å; K829-E1167 WeakPolarHBondContact CD-OE1 3.5Å; K829-E1167 WeakPolarHBondContact CE-OE1 3.42Å; K829-E1167 HydrophobicContact CG-CG 4.31Å; K829-E1167 IonicContact NZ-OE1 3.56Å; K829-E1167 PolarHBondContact NZ-OE1 3.35Å; T831-E1167 WeakPolarHBondContact CB-OE2 3.45Å; T831-E1167 PolarHBondContact N-OE2 2.95Å; T831-E1167 VanDerWaalsContact N-OE2 3.15Å; T831-E1167 PolarHBondContact OG1-OE1 3.03Å; T831-E1167 PolarHBondContact OG1-OE2 3.17Å; K1161-E1167 WeakPolarHBondContact CE-O 3.35Å; K1161-E1167 PolarHBondContact NZ-O 3Å; K1164-E1167 VanDerWaalsContact CE-CD 3.47Å; K1164-E1167 WeakPolarHBondContact CE-OE1 3.36Å; K1164-E1167 HydrophobicContact CG-CB 3.99Å; K1164-E1167 IonicContact NZ-OE1 2.74Å; K1164-E1167 PolarHBondContact NZ-OE1 3.19Å; K1164-E1167 IonicContact NZ-OE2 3.3Å; K1164-E1167 CarbonylContact O-C 3.6Å; K1164-E1167 PolarHBondContact O-N 3.46Å; A1165-E1167 PolarHBondContact O-N 3.47Å; A1165-E1167 VanDerWaalsContact O-N 3.14Å
1168	Y	95.7	Very high	91.5	Very high	6 Å²	6	20.7 Å²	20.7	2%	0.024	10%	0.104	C	C	.	.	S	Bend	trans	-90.1	-70	-174.4	-58.5	-74.9	0	0	0	112.8	L824 I825 T1109 K1161 L1231 V1252 L1253	L824-Y1168 WeakPolarHBondContact O-CD2 3.12Å; L824-Y1168 WeakPolarHBondContact O-CE2 3.34Å; I825-Y1168 HydrophobicContact CD1-CD2 4.43Å; T1109-Y1168 WeakPolarHBondContact CA-O 3.34Å; K1161-Y1168 WeakPolarHBondContact CE-O 3.4Å; K1161-Y1168 PolarHBondContact NZ-O 3.32Å; Y1168-L1231 HydrophobicContact CE2-CD1 4.49Å; Y1168-L1231 WeakPolarHBondContact OH-CD1 3.38Å; Y1168-V1252 HydrophobicContact CD1-CG1 3.46Å; Y1168-V1252 VanDerWaalsContact CD1-CG1 3.46Å; Y1168-V1252 HydrophobicContact CE1-CG1 4.13Å; Y1168-V1252 WeakPolarHBondContact CE1-O 3.26Å; Y1168-V1252 HydrophobicContact CG-CG1 3.82Å; Y1168-L1253 HydrophobicContact CD2-CD2 3.96Å; Y1168-L1253 HydrophobicContact CE1-CD2 4.13Å; Y1168-L1253 HydrophobicContact CE2-CD2 3.26Å; Y1168-L1253 WeakPolarHBondContact OH-CD2 3.25Å
1169	L	95.5	Very high	89.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.8	175.2	-84.8	62.3	0	0	0	110.3	I825 T827 H1108 T1109 T1174 A1189 W1248	I825-L1169 HydrophobicContact CG2-CB 3.94Å; I825-L1169 HydrophobicContact CG2-CD1 3.94Å; I825-L1169 HydrophobicContact CG2-CD2 4.35Å; I825-L1169 HydrophobicContact CG2-CG 4.28Å; I825-L1169 PolarHBondContact O-N 3.22Å; I825-L1169 VanDerWaalsContact O-N 3.08Å; T827-L1169 WeakPolarHBondContact CG2-O 3.34Å; T827-L1169 PolarHBondContact N-O 3.49Å; H1108-L1169 HydrophobicContact CB-CD1 4.14Å; H1108-L1169 HydrophobicContact CB-CD2 4.06Å; H1108-L1169 HydrophobicContact CB-CG 4.14Å; T1109-L1169 HydrophobicContact CG2-CD1 3.84Å; L1169-T1174 HydrophobicContact CB-CG2 3.81Å; L1169-T1174 HydrophobicContact CD2-CG2 4.4Å; L1169-A1189 HydrophobicContact CD2-CB 4.06Å; L1169-W1248 HydrophobicContact CD1-CH2 3.96Å; L1169-W1248 HydrophobicContact CD1-CZ2 4.04Å; L1169-W1248 HydrophobicContact CD2-CH2 3.98Å; L1169-W1248 HydrophobicContact CD2-CZ2 4.24Å
1170	N	94	Very high	87.8	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	155.7	179.1	75.1	72.3	0	0	0	111.6	T827 V830 I1111 P1113 E1172 L1173 T1174	T827-N1170 CarbonylContact O-C 3.49Å; T827-N1170 WeakPolarHBondContact O-CA 3.46Å; V830-N1170 HydrophobicContact CG2-CB 4.07Å; I1111-N1170 PolarHBondContact O-ND2 3.25Å; P1113-N1170 HydrophobicContact CB-CB 4.42Å; N1170-E1172 PolarHBondContact O-N 3.47Å; N1170-E1172 VanDerWaalsContact O-N 3.14Å; N1170-E1172 WeakPolarHBondContact OD1-CA 3.33Å; N1170-E1172 WeakPolarHBondContact OD1-CB 3.18Å; N1170-E1172 PolarHBondContact OD1-N 2.98Å; N1170-L1173 PolarHBondContact O-N 2.9Å; N1170-T1174 PolarHBondContact O-N 3.1Å; N1170-T1174 PolarHBondContact O-OG1 2.82Å
1171	A	91.5	Very high	85.2	Confident	20 Å²	20	28.9 Å²	28.9	17%	0.165	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-19.8	-176.6	0	0	0	0	0	115	T827 T828 L1173 T1174 E1175 K1176	T827-A1171 PolarHBondContact O-N 3.02Å; T828-A1171 HydrophobicContact CG2-CB 4.2Å; A1171-L1173 PolarHBondContact O-N 3.31Å; A1171-T1174 WeakPolarHBondContact CA-OG1 3.38Å; A1171-E1175 HydrophobicContact CB-CG 4.33Å; A1171-E1175 WeakPolarHBondContact O-CA 3.38Å; A1171-E1175 VanDerWaalsContact O-CB 3.3Å; A1171-E1175 WeakPolarHBondContact O-CB 3.04Å; A1171-E1175 PolarHBondContact O-N 3.41Å; A1171-K1176 PolarHBondContact O-N 3.39Å
1172	E	88.8	Confident	82.9	Confident	30 Å²	30	30.4 Å²	30.4	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-28.1	173.8	-60.5	-67.3	132.9	0	0	111.5	P1113 L1132 N1170 K1176 L1177	P1113-E1172 HydrophobicContact CB-CG 3.72Å; L1132-E1172 HydrophobicContact CB-CB 4.34Å; L1132-E1172 HydrophobicContact CD2-CB 4.45Å; N1170-E1172 PolarHBondContact O-N 3.47Å; N1170-E1172 VanDerWaalsContact O-N 3.14Å; N1170-E1172 WeakPolarHBondContact OD1-CA 3.33Å; N1170-E1172 WeakPolarHBondContact OD1-CB 3.18Å; N1170-E1172 PolarHBondContact OD1-N 2.98Å; E1172-K1176 CarbonylContact O-C 3.54Å; E1172-K1176 VanDerWaalsContact OE1-CD 3.32Å; E1172-K1176 WeakPolarHBondContact OE1-CD 3.48Å; E1172-K1176 WeakPolarHBondContact OE1-CE 3.4Å; E1172-K1176 IonicContact OE1-NZ 3.26Å; E1172-K1176 PolarHBondContact OE1-NZ 3.42Å; E1172-K1176 WeakPolarHBondContact OE2-CD 3.47Å; E1172-L1177 PolarHBondContact O-N 3.29Å
1173	L	91.1	Very high	80.7	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-94.3	-27.3	179.6	-65.3	175	0	0	0	114.1	I1111 L1132 F1136 N1170 A1171 L1177 L1188	I1111-L1173 HydrophobicContact CB-CD1 3.82Å; I1111-L1173 HydrophobicContact CD1-CD1 3.74Å; I1111-L1173 HydrophobicContact CG1-CD1 4.32Å; I1111-L1173 HydrophobicContact CG2-CD1 3.87Å; L1132-L1173 HydrophobicContact CD2-CD2 3.74Å; L1132-L1173 HydrophobicContact CD2-CG 4.09Å; F1136-L1173 HydrophobicContact CZ-CD2 4.13Å; N1170-L1173 PolarHBondContact O-N 2.9Å; A1171-L1173 PolarHBondContact O-N 3.31Å; L1173-L1177 HydrophobicContact CD2-CD1 3.93Å; L1173-L1188 HydrophobicContact CB-CB 4.36Å; L1173-L1188 HydrophobicContact CB-CD2 4.48Å; L1173-L1188 HydrophobicContact CD1-CD2 4.37Å; L1173-L1188 HydrophobicContact CD2-CD2 4.12Å; L1173-L1188 WeakPolarHBondContact O-CB 3.38Å; L1173-L1188 PolarHBondContact O-N 3.37Å
1174	T	91.8	Very high	78.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-99.2	-23.3	-177.7	53.7	0	0	0	0	113.1	R818 S826 L1169 N1170 A1171 D1187 A1189	R818-T1174 PolarHBondContact NH1-O 3.44Å; S826-T1174 WeakPolarHBondContact OG-CB 3.4Å; S826-T1174 PolarHBondContact OG-OG1 2.96Å; L1169-T1174 HydrophobicContact CB-CG2 3.81Å; L1169-T1174 HydrophobicContact CD2-CG2 4.4Å; N1170-T1174 PolarHBondContact O-N 3.1Å; N1170-T1174 PolarHBondContact O-OG1 2.82Å; A1171-T1174 WeakPolarHBondContact CA-OG1 3.38Å; T1174-D1187 WeakPolarHBondContact O-CB 3.13Å; T1174-A1189 HydrophobicContact CG2-CB 4.11Å
1175	E	86	Confident	77.4	Confident	22 Å²	22	34.4 Å²	34.4	10%	0.103	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-24.2	-177.3	-56.9	-56.2	151.4	0	0	114	R818 H889 R890 A1171 A1185	R818-E1175 IonicContact CZ-OE1 3.64Å; R818-E1175 IonicContact CZ-OE2 2.74Å; R818-E1175 IonicContact NH1-OE1 3.22Å; R818-E1175 PolarHBondContact NH1-OE1 3.22Å; R818-E1175 IonicContact NH1-OE2 2.69Å; R818-E1175 PolarHBondContact NH1-OE2 2.91Å; R818-E1175 VanDerWaalsContact NH2-CD 3.33Å; R818-E1175 IonicContact NH2-OE1 3.32Å; R818-E1175 PolarHBondContact NH2-OE1 3.29Å; R818-E1175 VanDerWaalsContact NH2-OE1 3.15Å; R818-E1175 IonicContact NH2-OE2 3.5Å; R818-E1175 PolarHBondContact NH2-OE2 2.95Å; H889-E1175 IonicContact CE1-OE1 3.29Å; H889-E1175 PolarHBondContact CE1-OE1 2.91Å; H889-E1175 IonicContact CE1-OE2 3.03Å; H889-E1175 IonicContact NE2-OE1 2.69Å; H889-E1175 IonicContact NE2-OE2 3.66Å; H889-E1175 PolarHBondContact NE2-OE2 2.93Å; R890-E1175 WeakPolarHBondContact CD-O 3.26Å; R890-E1175 WeakPolarHBondContact CD-OE2 3.12Å; R890-E1175 IonicContact CZ-OE2 3.05Å; R890-E1175 PolarHBondContact NE-O 3.38Å; R890-E1175 IonicContact NE-OE2 2.58Å; R890-E1175 PolarHBondContact NE-OE2 3.44Å; A1171-E1175 HydrophobicContact CB-CG 4.33Å; A1171-E1175 WeakPolarHBondContact O-CA 3.38Å; A1171-E1175 VanDerWaalsContact O-CB 3.3Å; A1171-E1175 WeakPolarHBondContact O-CB 3.04Å; A1171-E1175 PolarHBondContact O-N 3.41Å; E1175-A1185 VanDerWaalsContact O-CB 3.26Å; E1175-A1185 WeakPolarHBondContact O-CB 3.49Å
1176	K	80.4	Confident	76.6	Confident	86 Å²	86	34 Å²	34	37%	0.374	17%	0.171	S	C	.	.			trans	-126.1	14.9	-173.2	-58.5	178.7	-171.5	169.6	0	114.3	A1171 E1172 F1178 N1179	A1171-K1176 PolarHBondContact O-N 3.39Å; E1172-K1176 CarbonylContact O-C 3.54Å; E1172-K1176 VanDerWaalsContact OE1-CD 3.32Å; E1172-K1176 WeakPolarHBondContact OE1-CD 3.48Å; E1172-K1176 WeakPolarHBondContact OE1-CE 3.4Å; E1172-K1176 IonicContact OE1-NZ 3.26Å; E1172-K1176 PolarHBondContact OE1-NZ 3.42Å; E1172-K1176 WeakPolarHBondContact OE2-CD 3.47Å; K1176-F1178 PolarHBondContact O-N 2.9Å; K1176-N1179 HydrophobicContact CB-CB 4.06Å; K1176-N1179 WeakPolarHBondContact O-CB 3.49Å; K1176-N1179 PolarHBondContact O-N 2.93Å
1177	L	77.7	Confident	76.4	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.021	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-58.9	115.7	179.4	-169.9	72.4	0	0	0	108.7	F1136 E1172 L1173 N1179 L1186 L1188 M1191	F1136-L1177 HydrophobicContact CE1-CD1 4.43Å; F1136-L1177 HydrophobicContact CE2-CD1 4.21Å; F1136-L1177 HydrophobicContact CZ-CD1 3.84Å; E1172-L1177 PolarHBondContact O-N 3.29Å; L1173-L1177 HydrophobicContact CD2-CD1 3.93Å; L1177-N1179 VanDerWaalsContact C-N 3.29Å; L1177-N1179 PolarHBondContact O-N 2.94Å; L1177-L1186 HydrophobicContact CB-CB 4.12Å; L1177-L1186 WeakPolarHBondContact CB-O 3.44Å; L1177-L1186 HydrophobicContact CD2-CB 3.88Å; L1177-L1186 HydrophobicContact CG-CB 4.33Å; L1177-L1186 PolarHBondContact O-N 3.07Å; L1177-L1188 HydrophobicContact CD2-CB 3.93Å; L1177-L1188 HydrophobicContact CD2-CD1 4.38Å; L1177-M1191 HydrophobicContact CD2-SD 4.25Å
1178	F	70.2	Confident	76.2	Confident	9 Å²	9	31.2 Å²	31.2	4%	0.039	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	35.6	-177.3	-45	-39.8	0	0	0	113.9	A678 M682 F1136 F1137 K1176 K1180 A1181 H1182 L1186	A678-F1178 HydrophobicContact CB-CB 4.1Å; A678-F1178 HydrophobicContact CB-CG 4.49Å; M682-F1178 HydrophobicContact CB-CE2 4.5Å; M682-F1178 HydrophobicContact CE-CE2 3.92Å; M682-F1178 HydrophobicContact CE-CZ 3.73Å; M682-F1178 HydrophobicContact CG-CD2 4.06Å; M682-F1178 HydrophobicContact CG-CE1 4.26Å; M682-F1178 HydrophobicContact CG-CE2 3.59Å; M682-F1178 HydrophobicContact CG-CZ 3.71Å; M682-F1178 HydrophobicContact SD-CE2 4.49Å; M682-F1178 HydrophobicContact SD-CZ 4.21Å; F1136-F1178 HydrophobicContact CB-CD1 3.97Å; F1136-F1178 HydrophobicContact CB-CE1 4.14Å; F1136-F1178 HydrophobicContact CD1-CD1 4.19Å; F1136-F1178 AromaticContact CD1-CE1 3.63Å; F1136-F1178 HydrophobicContact CD1-CE1 3.63Å; F1136-F1178 AromaticContact CD2-CD1 3.93Å; F1136-F1178 HydrophobicContact CD2-CD1 3.93Å; F1136-F1178 HydrophobicContact CD2-CE1 4.14Å; F1136-F1178 HydrophobicContact CE1-CE1 4Å; F1136-F1178 HydrophobicContact CE2-CD1 4.46Å; F1136-F1178 HydrophobicContact CE2-CE1 4.46Å; F1136-F1178 AromaticContact CG-CD1 3.78Å; F1136-F1178 HydrophobicContact CG-CD1 3.78Å; F1136-F1178 AromaticContact CG-CE1 3.72Å; F1136-F1178 HydrophobicContact CG-CE1 3.72Å; F1136-F1178 HydrophobicContact CZ-CE1 4.39Å; F1137-F1178 AromaticContact CE2-CD1 3.89Å; F1137-F1178 HydrophobicContact CE2-CD1 3.89Å; F1137-F1178 AromaticContact CE2-CE1 3.71Å; F1137-F1178 HydrophobicContact CE2-CE1 3.71Å; F1137-F1178 HydrophobicContact CE2-CZ 4.36Å; F1137-F1178 HydrophobicContact CZ-CE1 4.4Å; K1176-F1178 PolarHBondContact O-N 2.9Å; F1178-K1180 PolarHBondContact O-N 3.5Å; F1178-A1181 HydrophobicContact CB-CB 4.28Å; F1178-A1181 CarbonylContact O-C 3.47Å; F1178-A1181 VanDerWaalsContact O-C 3.32Å; F1178-A1181 WeakPolarHBondContact O-CA 3.05Å; F1178-A1181 WeakPolarHBondContact O-CB 3.02Å; F1178-A1181 PolarHBondContact O-N 3.31Å; F1178-H1182 PolarHBondContact O-N 2.77Å; F1178-L1186 HydrophobicContact CD2-CD1 3.97Å; F1178-L1186 HydrophobicContact CE2-CD1 4.4Å
1179	N	63.3	Low	76.2	Confident	64 Å²	64	30.9 Å²	30.9	34%	0.342	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-63.3	-29.7	-176.1	67	-13.1	0	0	0	115.6	K1176 L1177 A1181 A1185	K1176-N1179 HydrophobicContact CB-CB 4.06Å; K1176-N1179 WeakPolarHBondContact O-CB 3.49Å; K1176-N1179 PolarHBondContact O-N 2.93Å; L1177-N1179 VanDerWaalsContact C-N 3.29Å; L1177-N1179 PolarHBondContact O-N 2.94Å; N1179-A1181 PolarHBondContact O-N 3.1Å; N1179-A1185 HydrophobicContact CB-CB 3.96Å
1180	K	52.1	Low	76.2	Confident	118 Å²	118	30.9 Å²	30.9	51%	0.513	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-69.5	13.4	177	-74.8	-168.8	175.2	179.9	0	113.5	E1134 F1178	E1134-K1180 VanDerWaalsContact CD-NZ 3.26Å; E1134-K1180 IonicContact OE2-NZ 3.48Å; E1134-K1180 PolarHBondContact OE2-NZ 2.74Å; F1178-K1180 PolarHBondContact O-N 3.5Å
1181	A	44.1	Very low	76.1	Confident	7 Å²	7	32.3 Å²	32.3	6%	0.058	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-168.3	5.3	-135.8	0	0	0	0	0	114.4	S677 A678 G679 F1178 N1179	S677-A1181 CarbonylContact C-O 3.57Å; S677-A1181 VanDerWaalsContact C-O 3.31Å; S677-A1181 VanDerWaalsContact CA-O 3.3Å; S677-A1181 WeakPolarHBondContact CA-O 2.99Å; S677-A1181 WeakPolarHBondContact CB-O 3.27Å; S677-A1181 PolarHBondContact OG-O 2.99Å; A678-A1181 HydrophobicContact CB-CB 3.03Å; A678-A1181 VanDerWaalsContact N-CA 3.34Å; A678-A1181 PolarHBondContact N-O 2.66Å; G679-A1181 PolarHBondContact N-O 3.14Å; F1178-A1181 HydrophobicContact CB-CB 4.28Å; F1178-A1181 CarbonylContact O-C 3.47Å; F1178-A1181 VanDerWaalsContact O-C 3.32Å; F1178-A1181 WeakPolarHBondContact O-CA 3.05Å; F1178-A1181 WeakPolarHBondContact O-CB 3.02Å; F1178-A1181 PolarHBondContact O-N 3.31Å; N1179-A1181 PolarHBondContact O-N 3.1Å
1182	H	50	Low	76.4	Confident	32 Å²	32	31.4 Å²	31.4	15%	0.148	16%	0.158	C	C	.	.			trans	-153.9	142	175.5	-125.2	-63.8	0	0	0	106.7	G679 E898 F1178 V1184	G679-H1182 WeakPolarHBondContact CA-CD2 3.49Å; G679-H1182 VanDerWaalsContact CA-NE2 3.3Å; G679-H1182 WeakPolarHBondContact CA-NE2 3.33Å; E898-H1182 IonicContact OE2-CE1 4Å; F1178-H1182 PolarHBondContact O-N 2.77Å; H1182-V1184 WeakPolarHBondContact CB-O 3.21Å; H1182-V1184 PolarHBondContact O-N 3.36Å; H1182-V1184 VanDerWaalsContact O-N 3.15Å
1183	D	49.8	Very low	76.8	Confident	173 Å²	173	30 Å²	30	93%	0.925	15%	0.151	S	C	*	.	S	Bend	trans	-58.9	-26.2	172.1	-64.1	-27.1	0	0	0	111.4
1184	V	55.1	Low	77	Confident	30 Å²	30	30.2 Å²	30.2	18%	0.182	15%	0.152	C	C	.	.	S	Bend	trans	-133.7	107.5	175	176.8	0	0	0	0	108.1	I891 H1182 L1186	I891-V1184 HydrophobicContact CD1-CG1 3.36Å; I891-V1184 HydrophobicContact CG1-CG1 3.74Å; I891-V1184 HydrophobicContact CG2-CG1 4.3Å; I891-V1184 HydrophobicContact CG2-CG2 4.39Å; H1182-V1184 WeakPolarHBondContact CB-O 3.21Å; H1182-V1184 PolarHBondContact O-N 3.36Å; H1182-V1184 VanDerWaalsContact O-N 3.15Å; V1184-L1186 PolarHBondContact O-N 2.66Å
1185	A	63.1	Low	77.3	Confident	10 Å²	10	30.8 Å²	30.8	8%	0.083	15%	0.154	C	C	.	.			trans	-50.7	137.6	174.6	0	0	0	0	0	110.8	R890 E1175 N1179	R890-A1185 PolarHBondContact NH1-O 3.16Å; R890-A1185 PolarHBondContact NH2-O 2.86Å; E1175-A1185 VanDerWaalsContact O-CB 3.26Å; E1175-A1185 WeakPolarHBondContact O-CB 3.49Å; N1179-A1185 HydrophobicContact CB-CB 3.96Å
1186	L	78.3	Confident	77.8	Confident	13 Å²	13	30.3 Å²	30.3	7%	0.068	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-77.5	170.7	-178.2	-62.9	-175.7	0	0	0	110.7	M897 L1177 F1178 V1184 M1191	M897-L1186 HydrophobicContact CG-CD2 3.82Å; M897-L1186 HydrophobicContact SD-CD2 4.2Å; L1177-L1186 HydrophobicContact CB-CB 4.12Å; L1177-L1186 WeakPolarHBondContact CB-O 3.44Å; L1177-L1186 HydrophobicContact CD2-CB 3.88Å; L1177-L1186 HydrophobicContact CG-CB 4.33Å; L1177-L1186 PolarHBondContact O-N 3.07Å; F1178-L1186 HydrophobicContact CD2-CD1 3.97Å; F1178-L1186 HydrophobicContact CE2-CD1 4.4Å; V1184-L1186 PolarHBondContact O-N 2.66Å; L1186-M1191 HydrophobicContact CB-SD 4.18Å; L1186-M1191 HydrophobicContact CD1-CE 4.33Å; L1186-M1191 HydrophobicContact CD1-SD 3.9Å
1187	D	89.8	Confident	78.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.			trans	-130.8	109.8	175.7	175.7	-17.1	0	0	0	109.1	R818 S821 M897 T1174 A1189 T1190 M1191	R818-D1187 WeakPolarHBondContact CD-OD2 2.99Å; R818-D1187 IonicContact CZ-OD2 3.81Å; R818-D1187 IonicContact NE-OD2 3.14Å; R818-D1187 IonicContact NH1-OD2 2.64Å; R818-D1187 PolarHBondContact NH1-OD2 3.23Å; S821-D1187 WeakPolarHBondContact CB-OD2 3.49Å; S821-D1187 PolarHBondContact OG-OD1 2.8Å; S821-D1187 PolarHBondContact OG-OD2 3.44Å; M897-D1187 HydrophobicContact CE-CB 3.98Å; M897-D1187 HydrophobicContact SD-CB 4.35Å; T1174-D1187 WeakPolarHBondContact O-CB 3.13Å; D1187-A1189 VanDerWaalsContact C-N 3.29Å; D1187-A1189 PolarHBondContact O-N 2.91Å; D1187-A1189 WeakPolarHBondContact OD1-CB 3.04Å; D1187-A1189 PolarHBondContact OD1-N 3.49Å; D1187-T1190 WeakPolarHBondContact O-CB 3.46Å; D1187-T1190 PolarHBondContact O-N 3.02Å; D1187-T1190 PolarHBondContact OD1-N 3.3Å; D1187-T1190 VanDerWaalsContact OD1-N 3.1Å; D1187-T1190 PolarHBondContact OD2-OG1 3.42Å; D1187-M1191 WeakPolarHBondContact O-CG 3.46Å; D1187-M1191 PolarHBondContact O-N 3.19Å
1188	L	92	Very high	79.5	Confident	25 Å²	25	26.6 Å²	26.6	13%	0.131	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-35.2	-175.2	-172.5	55.6	0	0	0	112.7	H1108 L1173 L1177 M1191 N1192	H1108-L1188 HydrophobicContact CB-CD2 4.41Å; L1173-L1188 HydrophobicContact CB-CB 4.36Å; L1173-L1188 HydrophobicContact CB-CD2 4.48Å; L1173-L1188 HydrophobicContact CD1-CD2 4.37Å; L1173-L1188 HydrophobicContact CD2-CD2 4.12Å; L1173-L1188 WeakPolarHBondContact O-CB 3.38Å; L1173-L1188 PolarHBondContact O-N 3.37Å; L1177-L1188 HydrophobicContact CD2-CB 3.93Å; L1177-L1188 HydrophobicContact CD2-CD1 4.38Å; L1188-M1191 PolarHBondContact O-N 3.17Å; L1188-N1192 PolarHBondContact O-N 3.12Å; L1188-N1192 PolarHBondContact O-ND2 3.27Å; L1188-N1192 VanDerWaalsContact O-ND2 3.07Å
1189	A	95.7	Very high	80.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.7	-45.9	177	0	0	0	0	0	110.5	S821 I825 L1169 T1174 D1187 M1191 N1192 I1193 W1248	S821-A1189 WeakPolarHBondContact OG-CB 3.29Å; I825-A1189 HydrophobicContact CB-CB 4.23Å; I825-A1189 HydrophobicContact CG2-CB 3.68Å; L1169-A1189 HydrophobicContact CD2-CB 4.06Å; T1174-A1189 HydrophobicContact CG2-CB 4.11Å; D1187-A1189 VanDerWaalsContact C-N 3.29Å; D1187-A1189 PolarHBondContact O-N 2.91Å; D1187-A1189 WeakPolarHBondContact OD1-CB 3.04Å; D1187-A1189 PolarHBondContact OD1-N 3.49Å; A1189-M1191 VanDerWaalsContact C-N 3.31Å; A1189-M1191 PolarHBondContact O-N 3.36Å; A1189-N1192 PolarHBondContact O-N 2.9Å; A1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; A1189-I1193 PolarHBondContact O-N 2.83Å; A1189-I1193 VanDerWaalsContact O-N 3.1Å; A1189-W1248 HydrophobicContact CB-CH2 3.83Å; A1189-W1248 HydrophobicContact CB-CZ3 3.9Å
1190	T	95.1	Very high	82.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57	-45.1	174.8	-65.7	0	0	0	0	110.8	P817 R818 S821 I882 M897 D1187 I1193 Q1194	P817-T1190 HydrophobicContact CB-CG2 3.82Å; R818-T1190 VanDerWaalsContact CA-OG1 3.31Å; R818-T1190 WeakPolarHBondContact CA-OG1 3.28Å; R818-T1190 HydrophobicContact CB-CG2 4.25Å; S821-T1190 WeakPolarHBondContact CB-OG1 3.34Å; I882-T1190 HydrophobicContact CB-CG2 4.31Å; I882-T1190 HydrophobicContact CD1-CG2 3.65Å; I882-T1190 HydrophobicContact CG1-CG2 4Å; I882-T1190 HydrophobicContact CG2-CG2 3.89Å; M897-T1190 HydrophobicContact SD-CG2 4.18Å; D1187-T1190 WeakPolarHBondContact O-CB 3.46Å; D1187-T1190 PolarHBondContact O-N 3.02Å; D1187-T1190 PolarHBondContact OD1-N 3.3Å; D1187-T1190 VanDerWaalsContact OD1-N 3.1Å; D1187-T1190 PolarHBondContact OD2-OG1 3.42Å; T1190-I1193 PolarHBondContact O-N 2.98Å; T1190-Q1194 WeakPolarHBondContact O-CB 3.45Å; T1190-Q1194 PolarHBondContact O-N 3.27Å
1191	M	92.8	Very high	84.4	Confident	32 Å²	32	18.1 Å²	18.1	16%	0.158	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-38.3	177.6	-67.9	179.7	79.2	0	0	113.1	L1177 L1186 D1187 L1188 A1189 Q1194 R1195	L1177-M1191 HydrophobicContact CD2-SD 4.25Å; L1186-M1191 HydrophobicContact CB-SD 4.18Å; L1186-M1191 HydrophobicContact CD1-CE 4.33Å; L1186-M1191 HydrophobicContact CD1-SD 3.9Å; D1187-M1191 WeakPolarHBondContact O-CG 3.46Å; D1187-M1191 PolarHBondContact O-N 3.19Å; L1188-M1191 PolarHBondContact O-N 3.17Å; A1189-M1191 VanDerWaalsContact C-N 3.31Å; A1189-M1191 PolarHBondContact O-N 3.36Å; M1191-Q1194 PolarHBondContact O-N 2.75Å; M1191-R1195 WeakPolarHBondContact O-CB 3.48Å; M1191-R1195 PolarHBondContact O-N 2.8Å
1192	N	96.6	Very high	86.9	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-65.4	-42.8	177.6	-68.5	-30.9	0	0	0	111.9	R1105 H1108 L1188 A1189 R1195 G1196 W1248	R1105-N1192 VanDerWaalsContact CD-OD1 3.26Å; R1105-N1192 WeakPolarHBondContact CD-OD1 3.37Å; R1105-N1192 PolarHBondContact NH1-OD1 2.76Å; H1108-N1192 PolarHBondContact CE1-ND2 2.93Å; H1108-N1192 PolarHBondContact ND1-ND2 3.5Å; L1188-N1192 PolarHBondContact O-N 3.12Å; L1188-N1192 PolarHBondContact O-ND2 3.27Å; L1188-N1192 VanDerWaalsContact O-ND2 3.07Å; A1189-N1192 PolarHBondContact O-N 2.9Å; N1192-R1195 PolarHBondContact O-N 3.47Å; N1192-G1196 PolarHBondContact O-N 3.37Å; N1192-W1248 HydrophobicContact CB-CD2 3.73Å; N1192-W1248 HydrophobicContact CB-CE3 4.01Å; N1192-W1248 HydrophobicContact CB-CG 4.07Å; N1192-W1248 HydrophobicContact CB-CZ2 4.32Å; N1192-W1248 HydrophobicContact CB-CZ3 4.41Å; N1192-W1248 WeakPolarHBondContact ND2-CZ2 3.36Å
1193	I	97.9	Very high	89.1	Confident	1 Å²	1	17 Å²	17	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-49.5	176.1	-63.6	164.5	0	0	0	109.9	P817 V820 A1189 T1190 R1195 G1196 R1197 D1246 W1248 V1249	P817-I1193 HydrophobicContact CB-CB 4.03Å; P817-I1193 HydrophobicContact CB-CD1 4.49Å; P817-I1193 HydrophobicContact CB-CG2 3.84Å; P817-I1193 HydrophobicContact CG-CG2 4Å; V820-I1193 HydrophobicContact CB-CD1 3.84Å; V820-I1193 HydrophobicContact CG1-CD1 3.58Å; A1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; A1189-I1193 PolarHBondContact O-N 2.83Å; A1189-I1193 VanDerWaalsContact O-N 3.1Å; T1190-I1193 PolarHBondContact O-N 2.98Å; I1193-R1195 PolarHBondContact O-N 3.02Å; I1193-G1196 PolarHBondContact O-N 2.71Å; I1193-R1197 WeakPolarHBondContact O-CG 3.07Å; I1193-R1197 PolarHBondContact O-N 2.79Å; I1193-D1246 HydrophobicContact CG2-CB 4.41Å; I1193-D1246 WeakPolarHBondContact CG2-OD2 3.43Å; I1193-W1248 HydrophobicContact CG1-CE3 4.04Å; I1193-W1248 HydrophobicContact CG1-CZ3 4.42Å; I1193-V1249 HydrophobicContact CD1-CG2 3.79Å; I1193-V1249 HydrophobicContact CG1-CG2 3.64Å
1194	Q	96.3	Very high	91.4	Very high	8 Å²	8	8.7 Å²	8.7	4%	0.037	5%	0.052	C	C	.	.	H	α-helix	trans	-64.6	-38.6	-179.1	-167	70.2	-8.7	0	0	112.1	F880 I882 F899 T1190 M1191 R1197 D1198	F880-Q1194 HydrophobicContact CD1-CG 4.34Å; F880-Q1194 HydrophobicContact CE1-CG 4.35Å; F880-Q1194 VanDerWaalsContact CE1-NE2 3.31Å; F880-Q1194 PolarHBondContact O-NE2 3.41Å; I882-Q1194 HydrophobicContact CD1-CB 4.04Å; I882-Q1194 HydrophobicContact CD1-CG 3.98Å; I882-Q1194 HydrophobicContact CG1-CB 4.09Å; I882-Q1194 HydrophobicContact CG1-CG 3.79Å; F899-Q1194 HydrophobicContact CD1-CG 3.86Å; F899-Q1194 HydrophobicContact CD2-CB 4.01Å; F899-Q1194 HydrophobicContact CD2-CG 3.75Å; F899-Q1194 HydrophobicContact CE1-CG 3.92Å; F899-Q1194 HydrophobicContact CE2-CB 3.8Å; F899-Q1194 HydrophobicContact CE2-CG 3.8Å; F899-Q1194 HydrophobicContact CG-CG 3.79Å; F899-Q1194 HydrophobicContact CZ-CB 4.17Å; F899-Q1194 HydrophobicContact CZ-CG 3.89Å; T1190-Q1194 WeakPolarHBondContact O-CB 3.45Å; T1190-Q1194 PolarHBondContact O-N 3.27Å; M1191-Q1194 PolarHBondContact O-N 2.75Å; Q1194-R1197 WeakPolarHBondContact O-CB 3.34Å; Q1194-R1197 PolarHBondContact O-N 3.45Å; Q1194-D1198 PolarHBondContact O-N 3.06Å
1195	R	96.3	Very high	93.4	Very high	12 Å²	12	7.5 Å²	7.5	5%	0.045	4%	0.044	C	C	.	.	H	α-helix	trans	-67	-38.3	175.9	-169.6	67.5	67	-159.5	6.6	112.6	N856 F899 E900 S902 T1101 M1191 N1192 I1193 R1197 D1198 H1199	N856-R1195 PolarHBondContact OD1-NH2 2.96Å; F899-R1195 HydrophobicContact CE2-CB 4.22Å; F899-R1195 HydrophobicContact CZ-CB 4.03Å; E900-R1195 PolarHBondContact O-NH1 2.67Å; E900-R1195 PolarHBondContact O-NH2 2.71Å; S902-R1195 PolarHBondContact OG-NH1 3.4Å; T1101-R1195 HydrophobicContact CG2-CB 4.38Å; T1101-R1195 HydrophobicContact CG2-CG 3.89Å; M1191-R1195 WeakPolarHBondContact O-CB 3.48Å; M1191-R1195 PolarHBondContact O-N 2.8Å; N1192-R1195 PolarHBondContact O-N 3.47Å; I1193-R1195 PolarHBondContact O-N 3.02Å; R1195-R1197 VanDerWaalsContact C-N 3.26Å; R1195-R1197 PolarHBondContact O-N 3.25Å; R1195-D1198 IonicContact CZ-OD2 2.75Å; R1195-D1198 IonicContact NH1-OD2 2.81Å; R1195-D1198 PolarHBondContact NH1-OD2 2.53Å; R1195-D1198 PolarHBondContact O-N 3.06Å; R1195-H1199 VanDerWaalsContact CD-NE2 3.3Å; R1195-H1199 WeakPolarHBondContact CD-NE2 3.15Å; R1195-H1199 WeakPolarHBondContact O-CB 3.35Å; R1195-H1199 PolarHBondContact O-CD2 2.59Å; R1195-H1199 PolarHBondContact O-N 2.94Å
1196	G	97.5	Very high	95.1	Very high	12 Å²	12	10.3 Å²	10.3	12%	0.124	6%	0.056	C	C	.	.	H	α-helix	trans	-59.2	-37.9	171.9	0	0	0	0	0	112.9	N1192 I1193 A1200 L1201	N1192-G1196 PolarHBondContact O-N 3.37Å; I1193-G1196 PolarHBondContact O-N 2.71Å; G1196-A1200 PolarHBondContact O-N 3.23Å; G1196-L1201 PolarHBondContact O-N 2.98Å
1197	R	96.8	Very high	96.1	Very high	11 Å²	11	9.8 Å²	9.8	4%	0.042	5%	0.053	C	C	.	.	H	α-helix	trans	-72.2	-42.9	174.9	-66	174.5	-173.6	-179.1	4.5	112.6	P800 P815 F880 I1193 Q1194 R1195 H1199 A1200 D1246	P800-R1197 WeakPolarHBondContact CB-O 3.02Å; P815-R1197 PolarHBondContact O-NH1 2.91Å; P815-R1197 PolarHBondContact O-NH2 3.32Å; F880-R1197 HydrophobicContact CE1-CB 4.46Å; I1193-R1197 WeakPolarHBondContact O-CG 3.07Å; I1193-R1197 PolarHBondContact O-N 2.79Å; Q1194-R1197 WeakPolarHBondContact O-CB 3.34Å; Q1194-R1197 PolarHBondContact O-N 3.45Å; R1195-R1197 VanDerWaalsContact C-N 3.26Å; R1195-R1197 PolarHBondContact O-N 3.25Å; R1197-H1199 VanDerWaalsContact C-N 3.29Å; R1197-H1199 PolarHBondContact O-N 2.96Å; R1197-A1200 PolarHBondContact O-N 3.48Å; R1197-D1246 IonicContact CZ-OD1 2.77Å; R1197-D1246 IonicContact CZ-OD2 3.27Å; R1197-D1246 IonicContact NE-OD1 2.88Å; R1197-D1246 PolarHBondContact NE-OD1 2.89Å; R1197-D1246 IonicContact NE-OD2 3.32Å; R1197-D1246 PolarHBondContact NE-OD2 2.85Å; R1197-D1246 IonicContact NH2-OD1 3.06Å; R1197-D1246 IonicContact NH2-OD2 3.87Å; R1197-D1246 PolarHBondContact NH2-OD2 2.69Å
1198	D	96.3	Very high	96.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.7	-42.7	175	178.7	37.3	0	0	0	112.1	F880 F899 R901 S902 Q1194 R1195 A1200	F880-D1198 HydrophobicContact CD1-CB 4.29Å; F880-D1198 HydrophobicContact CE1-CB 4.49Å; F899-D1198 HydrophobicContact CE1-CB 3.97Å; F899-D1198 HydrophobicContact CZ-CB 4.16Å; R901-D1198 WeakPolarHBondContact CA-OD2 3.18Å; R901-D1198 WeakPolarHBondContact CG-OD1 3.18Å; R901-D1198 IonicContact CZ-OD1 3.18Å; R901-D1198 IonicContact NE-OD1 3.86Å; R901-D1198 PolarHBondContact NE-OD1 3Å; R901-D1198 IonicContact NH2-OD1 2.63Å; S902-D1198 PolarHBondContact N-OD2 3.31Å; Q1194-D1198 PolarHBondContact O-N 3.06Å; R1195-D1198 IonicContact CZ-OD2 2.75Å; R1195-D1198 IonicContact NH1-OD2 2.81Å; R1195-D1198 PolarHBondContact NH1-OD2 2.53Å; R1195-D1198 PolarHBondContact O-N 3.06Å; D1198-A1200 PolarHBondContact O-N 3.24Å
1199	H	96.7	Very high	96.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	2	177.1	-74	-146.9	0	0	0	113.9	R787 S902 N1097 T1101 R1195 R1197 L1201	R787-H1199 PolarHBondContact NH1-O 2.97Å; R787-H1199 PolarHBondContact NH2-O 3.31Å; S902-H1199 PolarHBondContact OG-NE2 3.4Å; N1097-H1199 PolarHBondContact OD1-ND1 2.74Å; T1101-H1199 HydrophobicContact CG2-CB 4.17Å; T1101-H1199 PolarHBondContact OG1-CE1 3.12Å; T1101-H1199 PolarHBondContact OG1-ND1 3Å; R1195-H1199 VanDerWaalsContact CD-NE2 3.3Å; R1195-H1199 WeakPolarHBondContact CD-NE2 3.15Å; R1195-H1199 WeakPolarHBondContact O-CB 3.35Å; R1195-H1199 PolarHBondContact O-CD2 2.59Å; R1195-H1199 PolarHBondContact O-N 2.94Å; R1197-H1199 VanDerWaalsContact C-N 3.29Å; R1197-H1199 PolarHBondContact O-N 2.96Å; H1199-L1201 VanDerWaalsContact C-N 3.28Å; H1199-L1201 HydrophobicContact CB-CG 4.4Å; H1199-L1201 PolarHBondContact O-N 3.34Å
1200	A	95.8	Very high	96.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	42.1	-179.8	0	0	0	0	0	114	P791 I792 Y793 G1196 R1197 D1198	P791-A1200 VanDerWaalsContact CA-O 3.26Å; P791-A1200 WeakPolarHBondContact CA-O 3.47Å; P791-A1200 HydrophobicContact CB-CB 3.91Å; P791-A1200 WeakPolarHBondContact CB-O 3.47Å; I792-A1200 PolarHBondContact N-O 2.81Å; I792-A1200 WeakPolarHBondContact O-CB 3.42Å; Y793-A1200 HydrophobicContact CD1-CB 3.45Å; Y793-A1200 VanDerWaalsContact CD1-CB 3.45Å; Y793-A1200 HydrophobicContact CD2-CB 3.8Å; Y793-A1200 HydrophobicContact CE1-CB 3.31Å; Y793-A1200 HydrophobicContact CE2-CB 3.67Å; Y793-A1200 HydrophobicContact CG-CB 3.7Å; Y793-A1200 VanDerWaalsContact CZ-CB 3.41Å; G1196-A1200 PolarHBondContact O-N 3.23Å; R1197-A1200 PolarHBondContact O-N 3.48Å; D1198-A1200 PolarHBondContact O-N 3.24Å
1201	L	97.3	Very high	97	Very high	13 Å²	13	18.8 Å²	18.8	7%	0.068	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-64.8	133.7	172.6	-61.8	-176.1	0	0	0	110.1	N1097 A1098 T1101 A1102 G1196 H1199 L1247	N1097-L1201 HydrophobicContact CB-CD2 4.35Å; A1098-L1201 HydrophobicContact CB-CD2 4.43Å; T1101-L1201 HydrophobicContact CG2-CD1 3.89Å; A1102-L1201 HydrophobicContact CB-CD1 3.99Å; G1196-L1201 PolarHBondContact O-N 2.98Å; H1199-L1201 VanDerWaalsContact C-N 3.28Å; H1199-L1201 HydrophobicContact CB-CG 4.4Å; H1199-L1201 PolarHBondContact O-N 3.34Å; L1201-L1247 HydrophobicContact CD1-CD2 4.23Å
1202	P	96.5	Very high	97.2	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.019	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-52.7	155.9	166.4	-28.3	35.6	0	0	0	113	L789 P790 I792 E1206 Y1207	L789-P1202 HydrophobicContact CB-CG 3.9Å; L789-P1202 HydrophobicContact CD1-CB 4.36Å; L789-P1202 HydrophobicContact CD1-CG 4.37Å; P790-P1202 VanDerWaalsContact O-CG 3.24Å; P790-P1202 WeakPolarHBondContact O-CG 3.47Å; I792-P1202 HydrophobicContact CD1-CB 4.02Å; I792-P1202 HydrophobicContact CD1-CG 4.23Å; I792-P1202 HydrophobicContact CG1-CG 4.23Å; P1202-E1206 HydrophobicContact CB-CB 3.76Å; P1202-E1206 HydrophobicContact CB-CG 4.12Å; P1202-Y1207 HydrophobicContact CB-CD2 4.36Å; P1202-Y1207 HydrophobicContact CB-CE2 3.85Å; P1202-Y1207 HydrophobicContact CG-CE2 4.17Å; P1202-Y1207 WeakPolarHBondContact O-CE2 3.21Å
1203	G	95.3	Very high	97.3	Very high	12 Å²	12	26.7 Å²	26.7	12%	0.124	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-62.2	162.5	178.2	0	0	0	0	0	112.8	L1205 E1206 I1245	G1203-L1205 VanDerWaalsContact C-N 3.27Å; G1203-L1205 PolarHBondContact O-N 2.75Å; G1203-E1206 PolarHBondContact O-N 2.95Å; G1203-I1245 WeakPolarHBondContact CA-O 3.47Å
1204	Y	98.3	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-48.6	-44.2	-179.8	165.8	-116.1	0	0	0	113.9	E1206 Y1207 R1208 L1222 I1245 E1254 T1265	Y1204-E1206 VanDerWaalsContact C-N 3.31Å; Y1204-E1206 PolarHBondContact O-N 2.77Å; Y1204-Y1207 PolarHBondContact O-N 3.08Å; Y1204-R1208 HydrophobicContact CD2-CG 4.4Å; Y1204-R1208 HydrophobicContact CE1-CG 4.49Å; Y1204-R1208 HydrophobicContact CE2-CG 3.97Å; Y1204-R1208 PolarHBondContact O-N 2.77Å; Y1204-R1208 VanDerWaalsContact O-N 3.1Å; Y1204-R1208 VanDerWaalsContact OH-CD 3.28Å; Y1204-R1208 WeakPolarHBondContact OH-CD 3.42Å; Y1204-R1208 PolarHBondContact OH-NH1 2.96Å; Y1204-L1222 HydrophobicContact CE1-CD1 4.3Å; Y1204-L1222 HydrophobicContact CE1-CD2 3.98Å; Y1204-I1245 WeakPolarHBondContact CB-O 3.2Å; Y1204-I1245 HydrophobicContact CD1-CB 4.39Å; Y1204-I1245 HydrophobicContact CD1-CD1 4.31Å; Y1204-I1245 HydrophobicContact CD1-CG2 4.27Å; Y1204-I1245 HydrophobicContact CG-CG2 4.24Å; Y1204-I1245 PolarHBondContact N-O 3.23Å; Y1204-E1254 HydrophobicContact CE2-CG 4.26Å; Y1204-E1254 WeakPolarHBondContact CE2-OE1 3.46Å; Y1204-E1254 VanDerWaalsContact CZ-OE1 3.28Å; Y1204-E1254 VanDerWaalsContact OH-CG 3.31Å; Y1204-E1254 WeakPolarHBondContact OH-CG 3.14Å; Y1204-E1254 PolarHBondContact OH-OE1 3.25Å; Y1204-T1265 HydrophobicContact CD2-CG2 4.46Å; Y1204-T1265 HydrophobicContact CE2-CG2 4.35Å
1205	L	97.7	Very high	97.1	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-29.3	-178.7	-66.5	-165.1	0	0	0	113.9	G1203 Y1207 R1208 K1209 A1215 P1216 L1222 P1242 A1243	G1203-L1205 VanDerWaalsContact C-N 3.27Å; G1203-L1205 PolarHBondContact O-N 2.75Å; L1205-Y1207 VanDerWaalsContact C-N 3.35Å; L1205-R1208 PolarHBondContact O-N 3.11Å; L1205-K1209 WeakPolarHBondContact O-CG 3.47Å; L1205-K1209 PolarHBondContact O-N 2.95Å; L1205-A1215 HydrophobicContact CB-CB 4.27Å; L1205-A1215 HydrophobicContact CD2-CB 4.42Å; L1205-P1216 VanDerWaalsContact CD1-O 3.25Å; L1205-P1216 WeakPolarHBondContact CD1-O 3.47Å; L1205-L1222 HydrophobicContact CD2-CD2 4.18Å; L1205-P1242 HydrophobicContact CD1-CB 3.75Å; L1205-P1242 HydrophobicContact CG-CB 4.4Å; L1205-A1243 HydrophobicContact CD1-CB 4.28Å
1206	E	97.9	Very high	97.1	Very high	69 Å²	69	31.2 Å²	31.2	32%	0.322	17%	0.168	S	C	.	.	H	α-helix	trans	-68.3	-38.5	178	-65	-55.3	121.8	0	0	111.1	L789 P1202 G1203 Y1204 K1209 W1210	L789-E1206 HydrophobicContact CD1-CB 4.01Å; P1202-E1206 HydrophobicContact CB-CB 3.76Å; P1202-E1206 HydrophobicContact CB-CG 4.12Å; G1203-E1206 PolarHBondContact O-N 2.95Å; Y1204-E1206 VanDerWaalsContact C-N 3.31Å; Y1204-E1206 PolarHBondContact O-N 2.77Å; E1206-K1209 PolarHBondContact O-N 2.89Å; E1206-K1209 IonicContact OE1-NZ 3.53Å; E1206-K1209 PolarHBondContact OE1-NZ 2.8Å; E1206-W1210 PolarHBondContact O-N 3.03Å
1207	Y	98.4	Very high	96.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-70.5	-31.9	172.7	-75.3	-84.2	0	0	0	112.6	L788 L789 A1098 P1202 Y1204 L1205 W1210 C1211 L1247 I1269	L788-Y1207 HydrophobicContact CB-CE1 4.32Å; L788-Y1207 HydrophobicContact CD1-CE1 4.5Å; L789-Y1207 HydrophobicContact CD1-CD1 3.92Å; L789-Y1207 HydrophobicContact CD1-CD2 4.08Å; L789-Y1207 HydrophobicContact CD1-CE1 3.92Å; L789-Y1207 HydrophobicContact CD1-CE2 4.09Å; L789-Y1207 HydrophobicContact CD1-CG 4.01Å; L789-Y1207 HydrophobicContact CG-CE1 4.32Å; A1098-Y1207 HydrophobicContact CB-CD1 4.48Å; A1098-Y1207 HydrophobicContact CB-CE1 3.5Å; A1098-Y1207 VanDerWaalsContact CB-CE1 3.5Å; A1098-Y1207 WeakPolarHBondContact CB-OH 3.49Å; P1202-Y1207 HydrophobicContact CB-CD2 4.36Å; P1202-Y1207 HydrophobicContact CB-CE2 3.85Å; P1202-Y1207 HydrophobicContact CG-CE2 4.17Å; P1202-Y1207 WeakPolarHBondContact O-CE2 3.21Å; Y1204-Y1207 PolarHBondContact O-N 3.08Å; L1205-Y1207 VanDerWaalsContact C-N 3.35Å; Y1207-W1210 PolarHBondContact O-N 3.45Å; Y1207-C1211 WeakPolarHBondContact O-CB 3.42Å; Y1207-C1211 PolarHBondContact O-N 3.31Å; Y1207-C1211 PolarHBondContact O-SG 3.02Å; Y1207-C1211 VanDerWaalsContact O-SG 3.32Å; Y1207-L1247 HydrophobicContact CD1-CD2 4.34Å; Y1207-L1247 HydrophobicContact CD2-CB 4.4Å; Y1207-L1247 HydrophobicContact CD2-CD1 3.7Å; Y1207-L1247 HydrophobicContact CD2-CD2 3.67Å; Y1207-L1247 HydrophobicContact CD2-CG 4.11Å; Y1207-L1247 HydrophobicContact CE1-CD2 4.31Å; Y1207-L1247 HydrophobicContact CE2-CD1 4.49Å; Y1207-L1247 HydrophobicContact CE2-CD2 3.62Å; Y1207-L1247 HydrophobicContact CE2-CG 4.44Å; Y1207-L1247 HydrophobicContact CG-CD1 3.79Å; Y1207-L1247 HydrophobicContact CG-CD2 4.03Å; Y1207-I1269 HydrophobicContact CD1-CD1 3.76Å; Y1207-I1269 HydrophobicContact CD1-CG1 4.34Å; Y1207-I1269 HydrophobicContact CE1-CD1 4.38Å; Y1207-I1269 HydrophobicContact CG-CD1 4.26Å
1208	R	98.3	Very high	96.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-45.3	170.7	-74.4	-158.5	61.7	113.8	-9.5	112.3	Y1204 L1205 W1210 C1211 N1212 L1213 S1214 D1225 E1254 T1265	Y1204-R1208 HydrophobicContact CD2-CG 4.4Å; Y1204-R1208 HydrophobicContact CE1-CG 4.49Å; Y1204-R1208 HydrophobicContact CE2-CG 3.97Å; Y1204-R1208 PolarHBondContact O-N 2.77Å; Y1204-R1208 VanDerWaalsContact O-N 3.1Å; Y1204-R1208 VanDerWaalsContact OH-CD 3.28Å; Y1204-R1208 WeakPolarHBondContact OH-CD 3.42Å; Y1204-R1208 PolarHBondContact OH-NH1 2.96Å; L1205-R1208 PolarHBondContact O-N 3.11Å; R1208-W1210 VanDerWaalsContact C-N 3.34Å; R1208-W1210 PolarHBondContact O-N 2.9Å; R1208-C1211 CarbonylContact O-C 3.5Å; R1208-C1211 PolarHBondContact O-N 2.79Å; R1208-C1211 VanDerWaalsContact O-N 3.16Å; R1208-N1212 PolarHBondContact O-N 2.82Å; R1208-L1213 HydrophobicContact CB-CB 4.08Å; R1208-L1213 HydrophobicContact CG-CB 4.38Å; R1208-L1213 HydrophobicContact CG-CD1 4.44Å; R1208-L1213 WeakPolarHBondContact O-CB 3.27Å; R1208-L1213 PolarHBondContact O-N 2.94Å; R1208-S1214 PolarHBondContact NE-O 3.22Å; R1208-D1225 IonicContact CZ-OD1 2.72Å; R1208-D1225 VanDerWaalsContact CZ-OD1 3.23Å; R1208-D1225 IonicContact CZ-OD2 3.73Å; R1208-D1225 VanDerWaalsContact CZ-OD2 3.29Å; R1208-D1225 IonicContact NH1-OD1 2.65Å; R1208-D1225 PolarHBondContact NH1-OD1 3.27Å; R1208-D1225 IonicContact NH1-OD2 3.94Å; R1208-D1225 PolarHBondContact NH1-OD2 3.24Å; R1208-D1225 IonicContact NH2-OD1 2.73Å; R1208-D1225 PolarHBondContact NH2-OD1 2.89Å; R1208-D1225 IonicContact NH2-OD2 2.85Å; R1208-D1225 PolarHBondContact NH2-OD2 3.41Å; R1208-E1254 IonicContact CZ-OE1 2.73Å; R1208-E1254 IonicContact NH1-OE1 2.83Å; R1208-E1254 PolarHBondContact NH1-OE1 3.32Å; R1208-T1265 HydrophobicContact CG-CG2 4.3Å; R1208-T1265 VanDerWaalsContact CG-OG1 3.24Å; R1208-T1265 WeakPolarHBondContact CG-OG1 3.43Å
1209	K	98	Very high	96.8	Very high	103 Å²	103	40.8 Å²	40.8	45%	0.448	21%	0.213	S	C	.	.	H	α-helix	trans	-57.1	-47.4	172.9	-68	170.9	-171.5	168	0	111.1	L1205 E1206 C1211 N1212 A1215	L1205-K1209 WeakPolarHBondContact O-CG 3.47Å; L1205-K1209 PolarHBondContact O-N 2.95Å; E1206-K1209 PolarHBondContact O-N 2.89Å; E1206-K1209 IonicContact OE1-NZ 3.53Å; E1206-K1209 PolarHBondContact OE1-NZ 2.8Å; K1209-C1211 VanDerWaalsContact C-N 3.28Å; K1209-C1211 PolarHBondContact O-N 2.92Å; K1209-N1212 PolarHBondContact O-N 2.9Å; K1209-A1215 HydrophobicContact CD-CB 4.28Å; K1209-A1215 HydrophobicContact CG-CB 3.53Å
1210	W	98.1	Very high	96.8	Very high	91 Å²	91	44.4 Å²	44.4	35%	0.345	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-38	177	-177.9	83.3	0	0	0	112.7	L788 L789 E1206 Y1207 R1208 N1212 C1268 I1269 D1272	L788-W1210 HydrophobicContact CB-CZ2 4.39Å; L788-W1210 HydrophobicContact CD1-CH2 3.96Å; L788-W1210 HydrophobicContact CD1-CZ2 4.31Å; L788-W1210 HydrophobicContact CD1-CZ3 4.2Å; L788-W1210 HydrophobicContact CD2-CH2 4.36Å; L788-W1210 HydrophobicContact CD2-CZ2 4.12Å; L789-W1210 HydrophobicContact CD1-CB 4.19Å; L789-W1210 HydrophobicContact CD2-CB 4.16Å; L789-W1210 HydrophobicContact CD2-CG 4.19Å; L789-W1210 HydrophobicContact CG-CB 4.38Å; L789-W1210 HydrophobicContact CG-CG 4.37Å; E1206-W1210 PolarHBondContact O-N 3.03Å; Y1207-W1210 PolarHBondContact O-N 3.45Å; R1208-W1210 VanDerWaalsContact C-N 3.34Å; R1208-W1210 PolarHBondContact O-N 2.9Å; W1210-N1212 PolarHBondContact O-N 3.27Å; W1210-C1268 VanDerWaalsContact CZ3-SG 3.52Å; W1210-I1269 HydrophobicContact CZ3-CG1 4.32Å; W1210-D1272 HydrophobicContact CH2-CB 3.87Å
1211	C	98.1	Very high	96.8	Very high	16 Å²	16	45.6 Å²	45.6	11%	0.108	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	4.6	175.3	-72.7	0	0	0	0	114.8	Y1207 R1208 K1209 L1213 C1268	Y1207-C1211 WeakPolarHBondContact O-CB 3.42Å; Y1207-C1211 PolarHBondContact O-N 3.31Å; Y1207-C1211 PolarHBondContact O-SG 3.02Å; Y1207-C1211 VanDerWaalsContact O-SG 3.32Å; R1208-C1211 CarbonylContact O-C 3.5Å; R1208-C1211 PolarHBondContact O-N 2.79Å; R1208-C1211 VanDerWaalsContact O-N 3.16Å; K1209-C1211 VanDerWaalsContact C-N 3.28Å; K1209-C1211 PolarHBondContact O-N 2.92Å; C1211-L1213 VanDerWaalsContact C-N 3.27Å; C1211-L1213 HydrophobicContact CB-CD1 3.82Å; C1211-L1213 HydrophobicContact CB-CG 3.87Å; C1211-L1213 PolarHBondContact O-N 3.21Å; C1211-C1268 VanDerWaalsContact CA-SG 3.51Å; C1211-C1268 HydrophobicContact CB-CB 3.75Å; C1211-C1268 WeakPolarHBondContact CB-SG 3.12Å; C1211-C1268 WeakPolarHBondContact SG-CB 3.36Å; C1211-C1268 CovalentContact SG-SG 2.03Å; C1211-C1268 PolarHBondContact SG-SG 2.87Å
1212	N	97.7	Very high	96.7	Very high	155 Å²	155	45 Å²	45	83%	0.829	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	42	-173.6	-164.1	36.5	0	0	0	113	R1208 K1209 W1210	R1208-N1212 PolarHBondContact O-N 2.82Å; K1209-N1212 PolarHBondContact O-N 2.9Å; W1210-N1212 PolarHBondContact O-N 3.27Å
1213	L	97.2	Very high	96.8	Very high	44 Å²	44	52.3 Å²	52.3	23%	0.23	27%	0.269	C	S	.	.			trans	-109.3	159.2	176.2	-61.3	175.2	0	0	0	110.3	R1208 C1211 A1215 P1264	R1208-L1213 HydrophobicContact CB-CB 4.08Å; R1208-L1213 HydrophobicContact CG-CB 4.38Å; R1208-L1213 HydrophobicContact CG-CD1 4.44Å; R1208-L1213 WeakPolarHBondContact O-CB 3.27Å; R1208-L1213 PolarHBondContact O-N 2.94Å; C1211-L1213 VanDerWaalsContact C-N 3.27Å; C1211-L1213 HydrophobicContact CB-CD1 3.82Å; C1211-L1213 HydrophobicContact CB-CG 3.87Å; C1211-L1213 PolarHBondContact O-N 3.21Å; L1213-A1215 PolarHBondContact O-N 2.99Å; L1213-P1264 HydrophobicContact CD1-CB 3.92Å; L1213-P1264 HydrophobicContact CD1-CG 4.32Å; L1213-P1264 HydrophobicContact CD2-CB 4.39Å
1214	S	95.8	Very high	96.7	Very high	73 Å²	73	57.7 Å²	57.7	51%	0.51	30%	0.295	S	S	.	.			trans	-56.9	134.5	176.6	-176.3	0	0	0	0	111.3	R1208	R1208-S1214 PolarHBondContact NE-O 3.22Å
1215	A	95.8	Very high	96.6	Very high	26 Å²	26	58.7 Å²	58.7	22%	0.215	30%	0.301	C	S	.	.			trans	-129.7	77.4	177.5	0	0	0	0	0	109.9	L1205 K1209 L1213	L1205-A1215 HydrophobicContact CB-CB 4.27Å; L1205-A1215 HydrophobicContact CD2-CB 4.42Å; K1209-A1215 HydrophobicContact CD-CB 4.28Å; K1209-A1215 HydrophobicContact CG-CB 3.53Å; L1213-A1215 PolarHBondContact O-N 2.99Å
1216	P	95.4	Very high	96.6	Very high	17 Å²	17	58.5 Å²	58.5	11%	0.11	30%	0.3	C	S	.	.			trans	-73.5	150.3	-172.5	32.4	-38.2	0	0	0	112.6	L1205 D1218 G1221 L1222	L1205-P1216 VanDerWaalsContact CD1-O 3.25Å; L1205-P1216 WeakPolarHBondContact CD1-O 3.47Å; P1216-D1218 VanDerWaalsContact C-N 3.3Å; P1216-G1221 VanDerWaalsContact CG-C 3.49Å; P1216-L1222 HydrophobicContact CG-CD2 3.59Å; P1216-L1222 HydrophobicContact CG-CG 3.72Å
1217	E	92.2	Very high	96.5	Very high	130 Å²	130	57.8 Å²	57.8	61%	0.607	30%	0.301	S	S	*	.	S	Bend	trans	-77.9	-15.3	176.3	-63.2	-61.9	159.5	0	0	112.8	H1241 P1242	E1217-H1241 IonicContact OE2-CE1 2.89Å; E1217-H1241 PolarHBondContact OE2-CE1 3.48Å; E1217-H1241 IonicContact OE2-NE2 2.88Å; E1217-P1242 WeakPolarHBondContact O-CD 3.41Å
1218	D	95.3	Very high	96.5	Very high	87 Å²	87	60.5 Å²	60.5	47%	0.465	31%	0.314	S	S	.	.	S	Bend	trans	-121.9	159.7	176.2	70.5	69.6	0	0	0	112.1	P1216 D1220 G1221	P1216-D1218 VanDerWaalsContact C-N 3.3Å; D1218-D1220 VanDerWaalsContact C-N 3.3Å; D1218-D1220 PolarHBondContact O-N 3.39Å; D1218-D1220 WeakPolarHBondContact OD1-CA 3.46Å; D1218-D1220 WeakPolarHBondContact OD1-CB 3.4Å; D1218-D1220 PolarHBondContact OD1-N 2.56Å; D1218-G1221 PolarHBondContact O-N 2.75Å; D1218-G1221 PolarHBondContact OD1-N 3.48Å
1219	F	96.9	Very high	96.5	Very high	7 Å²	7	65 Å²	65	3%	0.031	34%	0.338	C	S	.	.	S	Bend	trans	-67.7	-30.5	-178	-68.7	-85.1	0	0	0	112.3	G1221 L1222 R1232 L1235 R1236 H1241 P1242 I1245	F1219-G1221 VanDerWaalsContact C-N 3.26Å; F1219-G1221 PolarHBondContact O-N 2.83Å; F1219-L1222 WeakPolarHBondContact O-CB 3.32Å; F1219-L1222 PolarHBondContact O-N 3.13Å; F1219-R1232 VanDerWaalsContact O-CD 3.25Å; F1219-R1232 WeakPolarHBondContact O-CD 3.19Å; F1219-L1235 HydrophobicContact CD1-CB 3.85Å; F1219-L1235 HydrophobicContact CE1-CB 3.68Å; F1219-R1236 HydrophobicContact CD2-CB 3.68Å; F1219-R1236 HydrophobicContact CD2-CG 3.76Å; F1219-R1236 VanDerWaalsContact CE2-CA 3.49Å; F1219-R1236 HydrophobicContact CE2-CB 3.78Å; F1219-R1236 HydrophobicContact CE2-CG 3.84Å; F1219-R1236 HydrophobicContact CG-CB 4.09Å; F1219-R1236 HydrophobicContact CZ-CB 4.28Å; F1219-H1241 VanDerWaalsContact CZ-C 3.43Å; F1219-P1242 HydrophobicContact CD1-CG 3.98Å; F1219-P1242 HydrophobicContact CD2-CG 3.92Å; F1219-P1242 HydrophobicContact CE1-CB 4.42Å; F1219-P1242 HydrophobicContact CE1-CG 4.06Å; F1219-P1242 HydrophobicContact CE2-CG 4.01Å; F1219-P1242 HydrophobicContact CG-CG 3.91Å; F1219-P1242 HydrophobicContact CZ-CG 4.08Å; F1219-I1245 HydrophobicContact CE1-CD1 4.05Å; F1219-I1245 HydrophobicContact CE1-CG1 4.45Å
1220	D	96.4	Very high	96.4	Very high	76 Å²	76	65 Å²	65	41%	0.406	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-72.7	-24.3	-175.5	-60.7	-32.5	0	0	0	111.6	D1218 L1222 R1223 R1232 R1236	D1218-D1220 VanDerWaalsContact C-N 3.3Å; D1218-D1220 PolarHBondContact O-N 3.39Å; D1218-D1220 WeakPolarHBondContact OD1-CA 3.46Å; D1218-D1220 WeakPolarHBondContact OD1-CB 3.4Å; D1218-D1220 PolarHBondContact OD1-N 2.56Å; D1220-L1222 PolarHBondContact O-N 2.81Å; D1220-R1223 VanDerWaalsContact O-CB 3.25Å; D1220-R1223 WeakPolarHBondContact O-CB 3.25Å; D1220-R1223 VanDerWaalsContact O-CG 3.3Å; D1220-R1223 WeakPolarHBondContact O-CG 3.47Å; D1220-R1223 PolarHBondContact O-N 3Å; D1220-R1223 VanDerWaalsContact O-N 3.1Å; D1220-R1232 IonicContact OD1-NE 3.13Å; D1220-R1236 VanDerWaalsContact CG-NH2 3.34Å; D1220-R1236 IonicContact OD1-NH2 3.37Å; D1220-R1236 PolarHBondContact OD1-NH2 3.11Å; D1220-R1236 IonicContact OD2-NH2 3.86Å; D1220-R1236 PolarHBondContact OD2-NH2 3.02Å
1221	G	96.2	Very high	96.4	Very high	26 Å²	26	60.6 Å²	60.6	27%	0.268	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-62.8	-15.9	167.5	0	0	0	0	0	114.3	P1216 D1218 F1219 R1223	P1216-G1221 VanDerWaalsContact CG-C 3.49Å; D1218-G1221 PolarHBondContact O-N 2.75Å; D1218-G1221 PolarHBondContact OD1-N 3.48Å; F1219-G1221 VanDerWaalsContact C-N 3.26Å; F1219-G1221 PolarHBondContact O-N 2.83Å; G1221-R1223 VanDerWaalsContact C-N 3.33Å
1222	L	96.2	Very high	96.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-86.6	1.8	174	-63.3	173.8	0	0	0	113	Y1204 L1205 P1216 F1219 D1220 D1224 D1225 I1226 I1245	Y1204-L1222 HydrophobicContact CE1-CD1 4.3Å; Y1204-L1222 HydrophobicContact CE1-CD2 3.98Å; L1205-L1222 HydrophobicContact CD2-CD2 4.18Å; P1216-L1222 HydrophobicContact CG-CD2 3.59Å; P1216-L1222 HydrophobicContact CG-CG 3.72Å; F1219-L1222 WeakPolarHBondContact O-CB 3.32Å; F1219-L1222 PolarHBondContact O-N 3.13Å; D1220-L1222 PolarHBondContact O-N 2.81Å; L1222-D1224 PolarHBondContact O-N 3.45Å; L1222-D1224 VanDerWaalsContact O-N 3.08Å; L1222-D1225 PolarHBondContact O-N 2.86Å; L1222-I1226 HydrophobicContact CD1-CD1 4.39Å; L1222-I1226 PolarHBondContact O-N 2.96Å; L1222-I1245 HydrophobicContact CD1-CD1 4.12Å
1223	R	96.6	Very high	96.4	Very high	155 Å²	155	58.3 Å²	58.3	59%	0.585	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.4	-174.6	69.9	-173.4	-175.2	-162.7	-4.1	115.2	D1220 G1221 P1227	D1220-R1223 VanDerWaalsContact O-CB 3.25Å; D1220-R1223 WeakPolarHBondContact O-CB 3.25Å; D1220-R1223 VanDerWaalsContact O-CG 3.3Å; D1220-R1223 WeakPolarHBondContact O-CG 3.47Å; D1220-R1223 PolarHBondContact O-N 3Å; D1220-R1223 VanDerWaalsContact O-N 3.1Å; G1221-R1223 VanDerWaalsContact C-N 3.33Å; R1223-P1227 WeakPolarHBondContact O-CA 3.13Å
1224	D	95.3	Very high	96.4	Very high	125 Å²	125	58.5 Å²	58.5	67%	0.668	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-27.2	-179.1	-63.2	-25.4	0	0	0	111.3	L1222	L1222-D1224 PolarHBondContact O-N 3.45Å; L1222-D1224 VanDerWaalsContact O-N 3.08Å
1225	D	95.3	Very high	96.5	Very high	22 Å²	22	55 Å²	55	12%	0.118	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-33.8	179.7	-59	-83.6	0	0	0	112.8	R1208 L1222 E1254 K1255	R1208-D1225 IonicContact CZ-OD1 2.72Å; R1208-D1225 VanDerWaalsContact CZ-OD1 3.23Å; R1208-D1225 IonicContact CZ-OD2 3.73Å; R1208-D1225 VanDerWaalsContact CZ-OD2 3.29Å; R1208-D1225 IonicContact NH1-OD1 2.65Å; R1208-D1225 PolarHBondContact NH1-OD1 3.27Å; R1208-D1225 IonicContact NH1-OD2 3.94Å; R1208-D1225 PolarHBondContact NH1-OD2 3.24Å; R1208-D1225 IonicContact NH2-OD1 2.73Å; R1208-D1225 PolarHBondContact NH2-OD1 2.89Å; R1208-D1225 IonicContact NH2-OD2 2.85Å; R1208-D1225 PolarHBondContact NH2-OD2 3.41Å; L1222-D1225 PolarHBondContact O-N 2.86Å; D1225-E1254 HydrophobicContact CB-CG 4.38Å; D1225-E1254 CarbonylContact O-C 3.48Å; D1225-E1254 WeakPolarHBondContact O-CA 3.46Å; D1225-K1255 PolarHBondContact O-N 2.73Å
1226	I	97.1	Very high	96.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-126	81.6	177	-53	178.5	0	0	0	107.4	L1222 E1228 L1231 R1232 L1235 L1253	L1222-I1226 HydrophobicContact CD1-CD1 4.39Å; L1222-I1226 PolarHBondContact O-N 2.96Å; I1226-E1228 PolarHBondContact O-N 3.4Å; I1226-L1231 HydrophobicContact CG2-CB 3.95Å; I1226-L1231 HydrophobicContact CG2-CD1 4.31Å; I1226-R1232 HydrophobicContact CB-CG 4.36Å; I1226-R1232 HydrophobicContact CG2-CG 4.1Å; I1226-R1232 WeakPolarHBondContact O-CD 3.49Å; I1226-R1232 WeakPolarHBondContact O-CG 3.45Å; I1226-R1232 PolarHBondContact O-NH1 3.38Å; I1226-L1235 HydrophobicContact CD1-CD1 3.87Å; I1226-L1253 HydrophobicContact CD1-CB 4.06Å; I1226-L1253 HydrophobicContact CG1-CB 4.49Å
1227	P	97.1	Very high	96.7	Very high	54 Å²	54	61.5 Å²	61.5	35%	0.351	31%	0.306	S	S	.	.			trans	-72.4	-23.3	-168.3	26.8	-33.5	0	0	0	114.8	R1223 D1229 R1232 K1255	R1223-P1227 WeakPolarHBondContact O-CA 3.13Å; P1227-D1229 PolarHBondContact O-N 3.08Å; P1227-R1232 PolarHBondContact O-NH1 3.48Å; P1227-K1255 HydrophobicContact CG-CB 4.37Å; P1227-K1255 HydrophobicContact CG-CD 4.31Å
1228	E	97.4	Very high	96.9	Very high	58 Å²	58	56.2 Å²	56.2	27%	0.271	28%	0.282	S	S	.	.			trans	-73.5	114.7	-179.3	-61.4	72.6	-162.2	0	0	111	A1165 F1166 I1226 E1230 L1231 R1232	A1165-E1228 VanDerWaalsContact CB-CD 3.4Å; A1165-E1228 HydrophobicContact CB-CG 3.77Å; A1165-E1228 VanDerWaalsContact CB-OE1 3.31Å; A1165-E1228 WeakPolarHBondContact CB-OE1 3.47Å; F1166-E1228 HydrophobicContact CE2-CB 4.15Å; F1166-E1228 HydrophobicContact CE2-CG 3.79Å; F1166-E1228 HydrophobicContact CZ-CB 3.94Å; F1166-E1228 HydrophobicContact CZ-CG 4.12Å; I1226-E1228 PolarHBondContact O-N 3.4Å; E1228-E1230 PolarHBondContact O-N 3.03Å; E1228-L1231 HydrophobicContact CB-CB 4.14Å; E1228-L1231 HydrophobicContact CB-CD1 3.93Å; E1228-L1231 HydrophobicContact CB-CG 3.9Å; E1228-L1231 HydrophobicContact CG-CD1 4.23Å; E1228-L1231 PolarHBondContact O-N 3.13Å; E1228-L1231 VanDerWaalsContact O-N 3.1Å; E1228-R1232 PolarHBondContact O-N 2.86Å; E1228-R1232 VanDerWaalsContact O-N 3.17Å
1229	D	97.5	Very high	97.1	Very high	98 Å²	98	52.1 Å²	52.1	52%	0.524	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-37.2	179.4	-168.6	62.7	0	0	0	112.9	P1227 L1231 R1232 H1233	P1227-D1229 PolarHBondContact O-N 3.08Å; D1229-L1231 VanDerWaalsContact C-N 3.35Å; D1229-L1231 PolarHBondContact O-N 3.33Å; D1229-R1232 PolarHBondContact O-N 2.65Å; D1229-R1232 IonicContact OD1-CZ 2.77Å; D1229-R1232 IonicContact OD1-NH2 3.3Å; D1229-R1232 PolarHBondContact OD1-NH2 3Å; D1229-H1233 WeakPolarHBondContact O-CB 3.34Å; D1229-H1233 PolarHBondContact O-N 3.14Å
1230	E	97.5	Very high	97.1	Very high	103 Å²	103	52.7 Å²	52.7	48%	0.481	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-39	176.4	-170.6	-167.9	147.3	0	0	112.4	F1166 E1228 H1233 K1234	F1166-E1230 HydrophobicContact CE1-CB 4.18Å; F1166-E1230 HydrophobicContact CE1-CG 4.19Å; F1166-E1230 HydrophobicContact CZ-CB 3.97Å; F1166-E1230 HydrophobicContact CZ-CG 4.42Å; E1228-E1230 PolarHBondContact O-N 3.03Å; E1230-H1233 PolarHBondContact O-N 3.39Å; E1230-K1234 HydrophobicContact CG-CD 4.35Å; E1230-K1234 WeakPolarHBondContact O-CB 3.36Å; E1230-K1234 WeakPolarHBondContact O-CG 3.42Å; E1230-K1234 PolarHBondContact O-N 2.97Å; E1230-K1234 VanDerWaalsContact OE1-CE 3.24Å; E1230-K1234 WeakPolarHBondContact OE1-CE 3.1Å; E1230-K1234 IonicContact OE1-NZ 3.49Å; E1230-K1234 PolarHBondContact OE1-NZ 3.42Å
1231	L	97.3	Very high	97.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-44.3	176.6	-70.3	179.6	0	0	0	111	L824 A1165 F1166 Y1168 I1226 E1228 D1229 H1233 K1234 L1235 L1253	L824-L1231 HydrophobicContact CD2-CD2 3.99Å; A1165-L1231 HydrophobicContact CB-CD1 4.16Å; F1166-L1231 HydrophobicContact CD1-CD2 3.68Å; F1166-L1231 HydrophobicContact CD1-CG 4.22Å; F1166-L1231 HydrophobicContact CE1-CD1 4.47Å; F1166-L1231 HydrophobicContact CE1-CD2 3.42Å; F1166-L1231 VanDerWaalsContact CE1-CD2 3.42Å; F1166-L1231 HydrophobicContact CE1-CG 3.59Å; F1166-L1231 HydrophobicContact CZ-CD1 4.48Å; F1166-L1231 HydrophobicContact CZ-CD2 4.16Å; F1166-L1231 HydrophobicContact CZ-CG 3.8Å; Y1168-L1231 HydrophobicContact CE2-CD1 4.49Å; Y1168-L1231 WeakPolarHBondContact OH-CD1 3.38Å; I1226-L1231 HydrophobicContact CG2-CB 3.95Å; I1226-L1231 HydrophobicContact CG2-CD1 4.31Å; E1228-L1231 HydrophobicContact CB-CB 4.14Å; E1228-L1231 HydrophobicContact CB-CD1 3.93Å; E1228-L1231 HydrophobicContact CB-CG 3.9Å; E1228-L1231 HydrophobicContact CG-CD1 4.23Å; E1228-L1231 PolarHBondContact O-N 3.13Å; E1228-L1231 VanDerWaalsContact O-N 3.1Å; D1229-L1231 VanDerWaalsContact C-N 3.35Å; D1229-L1231 PolarHBondContact O-N 3.33Å; L1231-H1233 VanDerWaalsContact C-N 3.3Å; L1231-H1233 PolarHBondContact O-N 3.05Å; L1231-K1234 PolarHBondContact O-N 2.94Å; L1231-L1235 WeakPolarHBondContact O-CB 3.37Å; L1231-L1235 WeakPolarHBondContact O-CG 3.39Å; L1231-L1235 PolarHBondContact O-N 2.78Å; L1231-L1253 HydrophobicContact CD2-CD2 4.5Å
1232	R	97.6	Very high	97.1	Very high	22 Å²	22	49.7 Å²	49.7	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-38.7	175.4	-64	-165.5	-56.8	-81.9	-3.9	111.8	F1219 D1220 I1226 P1227 E1228 D1229 L1235 R1236	F1219-R1232 VanDerWaalsContact O-CD 3.25Å; F1219-R1232 WeakPolarHBondContact O-CD 3.19Å; D1220-R1232 IonicContact OD1-NE 3.13Å; I1226-R1232 HydrophobicContact CB-CG 4.36Å; I1226-R1232 HydrophobicContact CG2-CG 4.1Å; I1226-R1232 WeakPolarHBondContact O-CD 3.49Å; I1226-R1232 WeakPolarHBondContact O-CG 3.45Å; I1226-R1232 PolarHBondContact O-NH1 3.38Å; P1227-R1232 PolarHBondContact O-NH1 3.48Å; E1228-R1232 PolarHBondContact O-N 2.86Å; E1228-R1232 VanDerWaalsContact O-N 3.17Å; D1229-R1232 PolarHBondContact O-N 2.65Å; D1229-R1232 IonicContact OD1-CZ 2.77Å; D1229-R1232 IonicContact OD1-NH2 3.3Å; D1229-R1232 PolarHBondContact OD1-NH2 3Å; R1232-L1235 PolarHBondContact O-N 3.44Å; R1232-R1236 WeakPolarHBondContact O-CB 3.34Å; R1232-R1236 PolarHBondContact O-N 2.89Å
1233	H	98.1	Very high	97.1	Very high	100 Å²	100	50.9 Å²	50.9	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-46.8	174.3	-176.1	83.8	0	0	0	112	D1229 E1230 L1231 L1235 R1236 V1237	D1229-H1233 WeakPolarHBondContact O-CB 3.34Å; D1229-H1233 PolarHBondContact O-N 3.14Å; E1230-H1233 PolarHBondContact O-N 3.39Å; L1231-H1233 VanDerWaalsContact C-N 3.3Å; L1231-H1233 PolarHBondContact O-N 3.05Å; H1233-L1235 VanDerWaalsContact C-N 3.34Å; H1233-L1235 PolarHBondContact O-N 2.92Å; H1233-R1236 WeakPolarHBondContact O-CB 3.37Å; H1233-R1236 PolarHBondContact O-N 3.43Å; H1233-R1236 VanDerWaalsContact O-N 3.16Å; H1233-V1237 WeakPolarHBondContact O-CG2 3.47Å; H1233-V1237 PolarHBondContact O-N 3.22Å
1234	K	97.9	Very high	97.1	Very high	49 Å²	49	43.6 Å²	43.6	21%	0.213	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-40.7	175.5	-75.7	169.5	168.6	173.1	0	112.1	M823 L824 E1230 L1231 V1237 L1238	M823-K1234 HydrophobicContact CE-CG 4.42Å; L824-K1234 HydrophobicContact CD2-CB 3.54Å; L824-K1234 HydrophobicContact CD2-CD 4.13Å; L824-K1234 HydrophobicContact CD2-CG 4.47Å; L824-K1234 HydrophobicContact CG-CB 4.4Å; E1230-K1234 HydrophobicContact CG-CD 4.35Å; E1230-K1234 WeakPolarHBondContact O-CB 3.36Å; E1230-K1234 WeakPolarHBondContact O-CG 3.42Å; E1230-K1234 PolarHBondContact O-N 2.97Å; E1230-K1234 VanDerWaalsContact OE1-CE 3.24Å; E1230-K1234 WeakPolarHBondContact OE1-CE 3.1Å; E1230-K1234 IonicContact OE1-NZ 3.49Å; E1230-K1234 PolarHBondContact OE1-NZ 3.42Å; L1231-K1234 PolarHBondContact O-N 2.94Å; K1234-V1237 PolarHBondContact O-N 3.39Å; K1234-L1238 WeakPolarHBondContact O-CB 3.37Å; K1234-L1238 WeakPolarHBondContact O-CG 3.33Å; K1234-L1238 PolarHBondContact O-N 3.42Å
1235	L	98	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-43.4	173	-77.9	170.4	0	0	0	111.8	L824 F1219 I1226 L1231 R1232 H1233 V1237 L1238 Y1239 I1245 V1249 L1253	L824-L1235 HydrophobicContact CD1-CD2 3.73Å; L824-L1235 HydrophobicContact CD1-CG 4.27Å; F1219-L1235 HydrophobicContact CD1-CB 3.85Å; F1219-L1235 HydrophobicContact CE1-CB 3.68Å; I1226-L1235 HydrophobicContact CD1-CD1 3.87Å; L1231-L1235 WeakPolarHBondContact O-CB 3.37Å; L1231-L1235 WeakPolarHBondContact O-CG 3.39Å; L1231-L1235 PolarHBondContact O-N 2.78Å; R1232-L1235 PolarHBondContact O-N 3.44Å; H1233-L1235 VanDerWaalsContact C-N 3.34Å; H1233-L1235 PolarHBondContact O-N 2.92Å; L1235-V1237 VanDerWaalsContact C-N 3.35Å; L1235-V1237 PolarHBondContact O-N 3.43Å; L1235-L1238 PolarHBondContact O-N 3.34Å; L1235-Y1239 HydrophobicContact CD2-CD2 3.89Å; L1235-Y1239 HydrophobicContact CD2-CE2 4.07Å; L1235-Y1239 WeakPolarHBondContact O-CB 3.41Å; L1235-Y1239 PolarHBondContact O-N 2.78Å; L1235-I1245 HydrophobicContact CD1-CD1 4.21Å; L1235-I1245 HydrophobicContact CD2-CD1 4.15Å; L1235-I1245 HydrophobicContact CD2-CG1 4.19Å; L1235-V1249 HydrophobicContact CD2-CG1 4.3Å; L1235-L1253 HydrophobicContact CD1-CD1 3.86Å; L1235-L1253 HydrophobicContact CD2-CD1 3.76Å; L1235-L1253 HydrophobicContact CG-CD1 3.98Å
1236	R	97.7	Very high	97.4	Very high	84 Å²	84	37.1 Å²	37.1	32%	0.317	19%	0.192	S	C	.	.	H	α-helix	trans	-59	-45	175	-172.6	-176	-69.3	112.7	-7.9	111.9	F1219 D1220 R1232 H1233 G1240	F1219-R1236 HydrophobicContact CD2-CB 3.68Å; F1219-R1236 HydrophobicContact CD2-CG 3.76Å; F1219-R1236 VanDerWaalsContact CE2-CA 3.49Å; F1219-R1236 HydrophobicContact CE2-CB 3.78Å; F1219-R1236 HydrophobicContact CE2-CG 3.84Å; F1219-R1236 HydrophobicContact CG-CB 4.09Å; F1219-R1236 HydrophobicContact CZ-CB 4.28Å; D1220-R1236 VanDerWaalsContact CG-NH2 3.34Å; D1220-R1236 IonicContact OD1-NH2 3.37Å; D1220-R1236 PolarHBondContact OD1-NH2 3.11Å; D1220-R1236 IonicContact OD2-NH2 3.86Å; D1220-R1236 PolarHBondContact OD2-NH2 3.02Å; R1232-R1236 WeakPolarHBondContact O-CB 3.34Å; R1232-R1236 PolarHBondContact O-N 2.89Å; H1233-R1236 WeakPolarHBondContact O-CB 3.37Å; H1233-R1236 PolarHBondContact O-N 3.43Å; H1233-R1236 VanDerWaalsContact O-N 3.16Å; R1236-G1240 VanDerWaalsContact O-CA 3.31Å; R1236-G1240 WeakPolarHBondContact O-CA 3.26Å; R1236-G1240 PolarHBondContact O-N 2.99Å
1237	V	97.5	Very high	97.4	Very high	95 Å²	95	37.3 Å²	37.3	58%	0.576	19%	0.193	S	C	*	.	H	α-helix	trans	-65	-40.8	177.5	172.3	0	0	0	0	112	M823 H1233 K1234 L1235	M823-V1237 HydrophobicContact CE-CG1 4.45Å; H1233-V1237 WeakPolarHBondContact O-CG2 3.47Å; H1233-V1237 PolarHBondContact O-N 3.22Å; K1234-V1237 PolarHBondContact O-N 3.39Å; L1235-V1237 VanDerWaalsContact C-N 3.35Å; L1235-V1237 PolarHBondContact O-N 3.43Å
1238	L	97.1	Very high	97.5	Very high	19 Å²	19	35 Å²	35	10%	0.099	18%	0.178	C	C	.	.	H	α-helix	trans	-79.7	-45.4	-175.4	-75.6	168.2	0	0	0	113.7	P815 V819 V820 M823 L824 K1234 L1235	P815-L1238 HydrophobicContact CB-CB 4.38Å; P815-L1238 HydrophobicContact CB-CD2 4.32Å; P815-L1238 VanDerWaalsContact CB-O 3.31Å; P815-L1238 WeakPolarHBondContact CB-O 3.16Å; P815-L1238 HydrophobicContact CG-CB 4.45Å; P815-L1238 WeakPolarHBondContact CG-O 3.46Å; V819-L1238 HydrophobicContact CG1-CD2 3.87Å; V820-L1238 HydrophobicContact CG2-CD1 4.44Å; V820-L1238 HydrophobicContact CG2-CD2 4.42Å; M823-L1238 HydrophobicContact CB-CD1 4.01Å; M823-L1238 HydrophobicContact CE-CD1 4.41Å; M823-L1238 HydrophobicContact CE-CD2 4.36Å; M823-L1238 HydrophobicContact CE-CG 4.21Å; M823-L1238 HydrophobicContact SD-CD1 4.24Å; M823-L1238 HydrophobicContact SD-CD2 3.56Å; M823-L1238 VanDerWaalsContact SD-CD2 3.56Å; M823-L1238 HydrophobicContact SD-CG 4.02Å; L824-L1238 HydrophobicContact CD1-CD1 3.4Å; L824-L1238 HydrophobicContact CG-CD1 3.72Å; K1234-L1238 WeakPolarHBondContact O-CB 3.37Å; K1234-L1238 WeakPolarHBondContact O-CG 3.33Å; K1234-L1238 PolarHBondContact O-N 3.42Å; L1235-L1238 PolarHBondContact O-N 3.34Å
1239	Y	97.5	Very high	97.6	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-104.8	-19.3	-169.5	-76.7	-80.1	0	0	0	114.1	P815 V820 L1235 H1241 N1244 I1245 D1246 V1249	P815-Y1239 HydrophobicContact CG-CD1 3.62Å; P815-Y1239 HydrophobicContact CG-CD2 4.24Å; P815-Y1239 HydrophobicContact CG-CE1 3.44Å; P815-Y1239 VanDerWaalsContact CG-CE1 3.44Å; P815-Y1239 HydrophobicContact CG-CE2 4.07Å; P815-Y1239 HydrophobicContact CG-CG 4.04Å; V820-Y1239 HydrophobicContact CG1-CE2 4.38Å; V820-Y1239 HydrophobicContact CG2-CE2 4.34Å; L1235-Y1239 HydrophobicContact CD2-CD2 3.89Å; L1235-Y1239 HydrophobicContact CD2-CE2 4.07Å; L1235-Y1239 WeakPolarHBondContact O-CB 3.41Å; L1235-Y1239 PolarHBondContact O-N 2.78Å; Y1239-H1241 PolarHBondContact O-N 3.22Å; Y1239-N1244 VanDerWaalsContact CD1-C 3.45Å; Y1239-N1244 HydrophobicContact CD1-CB 3.93Å; Y1239-N1244 WeakPolarHBondContact CD1-O 3.29Å; Y1239-N1244 WeakPolarHBondContact CE1-O 3.26Å; Y1239-N1244 PolarHBondContact O-ND2 3.18Å; Y1239-I1245 HydrophobicContact CD2-CG1 4.17Å; Y1239-I1245 HydrophobicContact CG-CG1 4.17Å; Y1239-D1246 WeakPolarHBondContact CE1-OD2 3.06Å; Y1239-D1246 PolarHBondContact OH-OD2 3.32Å; Y1239-V1249 HydrophobicContact CE2-CG1 4.31Å
1240	G	96.9	Very high	97.6	Very high	18 Å²	18	27.6 Å²	27.6	19%	0.186	14%	0.14	C	C	.	.	S	Bend	trans	69.3	-34.9	-179.2	0	0	0	0	0	115.4	F812 R1236	F812-G1240 WeakPolarHBondContact CE2-O 3.48Å; R1236-G1240 VanDerWaalsContact O-CA 3.31Å; R1236-G1240 WeakPolarHBondContact O-CA 3.26Å; R1236-G1240 PolarHBondContact O-N 2.99Å
1241	H	96.9	Very high	97.6	Very high	37 Å²	37	22.8 Å²	22.8	17%	0.171	12%	0.118	C	C	.	.	S	Bend	trans	-137.5	138.3	177.8	-165	-86.2	0	0	0	111	N810 F812 E1217 F1219 Y1239 A1243 N1244	N810-H1241 HydrophobicContact CB-CB 3.92Å; F812-H1241 HydrophobicContact CD2-CB 4Å; F812-H1241 HydrophobicContact CE2-CB 4.24Å; E1217-H1241 IonicContact OE2-CE1 2.89Å; E1217-H1241 PolarHBondContact OE2-CE1 3.48Å; E1217-H1241 IonicContact OE2-NE2 2.88Å; F1219-H1241 VanDerWaalsContact CZ-C 3.43Å; Y1239-H1241 PolarHBondContact O-N 3.22Å; H1241-A1243 VanDerWaalsContact C-N 3.29Å; H1241-A1243 VanDerWaalsContact ND1-CB 3.33Å; H1241-A1243 WeakPolarHBondContact ND1-CB 3.45Å; H1241-A1243 PolarHBondContact ND1-N 3.35Å; H1241-A1243 VanDerWaalsContact ND1-N 3.18Å; H1241-A1243 PolarHBondContact O-N 3.14Å; H1241-N1244 WeakPolarHBondContact O-CB 3.27Å; H1241-N1244 PolarHBondContact O-N 3.1Å
1242	P	97	Very high	97.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.013	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-56.5	-36.5	179.9	-29.3	37.4	0	0	0	114.6	L1205 E1217 F1219 N1244 I1245	L1205-P1242 HydrophobicContact CD1-CB 3.75Å; L1205-P1242 HydrophobicContact CG-CB 4.4Å; E1217-P1242 WeakPolarHBondContact O-CD 3.41Å; F1219-P1242 HydrophobicContact CD1-CG 3.98Å; F1219-P1242 HydrophobicContact CD2-CG 3.92Å; F1219-P1242 HydrophobicContact CE1-CB 4.42Å; F1219-P1242 HydrophobicContact CE1-CG 4.06Å; F1219-P1242 HydrophobicContact CE2-CG 4.01Å; F1219-P1242 HydrophobicContact CG-CG 3.91Å; F1219-P1242 HydrophobicContact CZ-CG 4.08Å; P1242-N1244 PolarHBondContact O-N 2.81Å; P1242-N1244 VanDerWaalsContact O-N 3.12Å; P1242-I1245 WeakPolarHBondContact O-CB 3.47Å; P1242-I1245 VanDerWaalsContact O-CG1 3.25Å; P1242-I1245 WeakPolarHBondContact O-CG1 3.44Å; P1242-I1245 PolarHBondContact O-N 3.18Å; P1242-I1245 VanDerWaalsContact O-N 3.07Å
1243	A	95.8	Very high	97.6	Very high	26 Å²	26	22.3 Å²	22.3	22%	0.215	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-62.4	-17.2	176.6	0	0	0	0	0	114.1	L1205 H1241	L1205-A1243 HydrophobicContact CD1-CB 4.28Å; H1241-A1243 VanDerWaalsContact C-N 3.29Å; H1241-A1243 VanDerWaalsContact ND1-CB 3.33Å; H1241-A1243 WeakPolarHBondContact ND1-CB 3.45Å; H1241-A1243 PolarHBondContact ND1-N 3.35Å; H1241-A1243 VanDerWaalsContact ND1-N 3.18Å; H1241-A1243 PolarHBondContact O-N 3.14Å
1244	N	96.5	Very high	97.6	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.011	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-83.9	-10.2	176.5	-68.5	-19.6	0	0	0	113.4	Y809 N810 K814 Y1239 H1241 P1242 D1246	Y809-N1244 VanDerWaalsContact CB-OD1 3.3Å; Y809-N1244 WeakPolarHBondContact CB-OD1 3.23Å; Y809-N1244 PolarHBondContact O-ND2 3.3Å; Y809-N1244 PolarHBondContact O-OD1 3.11Å; N810-N1244 PolarHBondContact ND2-OD1 3.13Å; K814-N1244 WeakPolarHBondContact CE-O 3.24Å; K814-N1244 PolarHBondContact NZ-O 3.49Å; Y1239-N1244 VanDerWaalsContact CD1-C 3.45Å; Y1239-N1244 HydrophobicContact CD1-CB 3.93Å; Y1239-N1244 WeakPolarHBondContact CD1-O 3.29Å; Y1239-N1244 WeakPolarHBondContact CE1-O 3.26Å; Y1239-N1244 PolarHBondContact O-ND2 3.18Å; H1241-N1244 WeakPolarHBondContact O-CB 3.27Å; H1241-N1244 PolarHBondContact O-N 3.1Å; P1242-N1244 PolarHBondContact O-N 2.81Å; P1242-N1244 VanDerWaalsContact O-N 3.12Å; N1244-D1246 PolarHBondContact O-N 3.27Å
1245	I	98.2	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-61.4	126.3	-178.7	-62	169.9	0	0	0	109.4	G1203 Y1204 F1219 L1222 L1235 Y1239 P1242 V1249	G1203-I1245 WeakPolarHBondContact CA-O 3.47Å; Y1204-I1245 WeakPolarHBondContact CB-O 3.2Å; Y1204-I1245 HydrophobicContact CD1-CB 4.39Å; Y1204-I1245 HydrophobicContact CD1-CD1 4.31Å; Y1204-I1245 HydrophobicContact CD1-CG2 4.27Å; Y1204-I1245 HydrophobicContact CG-CG2 4.24Å; Y1204-I1245 PolarHBondContact N-O 3.23Å; F1219-I1245 HydrophobicContact CE1-CD1 4.05Å; F1219-I1245 HydrophobicContact CE1-CG1 4.45Å; L1222-I1245 HydrophobicContact CD1-CD1 4.12Å; L1235-I1245 HydrophobicContact CD1-CD1 4.21Å; L1235-I1245 HydrophobicContact CD2-CD1 4.15Å; L1235-I1245 HydrophobicContact CD2-CG1 4.19Å; Y1239-I1245 HydrophobicContact CD2-CG1 4.17Å; Y1239-I1245 HydrophobicContact CG-CG1 4.17Å; P1242-I1245 WeakPolarHBondContact O-CB 3.47Å; P1242-I1245 VanDerWaalsContact O-CG1 3.25Å; P1242-I1245 WeakPolarHBondContact O-CG1 3.44Å; P1242-I1245 PolarHBondContact O-N 3.18Å; P1242-I1245 VanDerWaalsContact O-N 3.07Å; I1245-V1249 HydrophobicContact CG2-CB 4.32Å; I1245-V1249 HydrophobicContact CG2-CG1 4.43Å
1246	D	98.4	Very high	97.5	Very high	12 Å²	12	24.5 Å²	24.5	6%	0.064	13%	0.13	C	C	.	.			trans	-67.8	138.8	175.8	-57.6	-59.9	0	0	0	109.5	K814 I1193 R1197 Y1239 N1244 W1248 V1249 G1250	K814-D1246 IonicContact NZ-OD1 3.04Å; K814-D1246 PolarHBondContact NZ-OD1 3.33Å; I1193-D1246 HydrophobicContact CG2-CB 4.41Å; I1193-D1246 WeakPolarHBondContact CG2-OD2 3.43Å; R1197-D1246 IonicContact CZ-OD1 2.77Å; R1197-D1246 IonicContact CZ-OD2 3.27Å; R1197-D1246 IonicContact NE-OD1 2.88Å; R1197-D1246 PolarHBondContact NE-OD1 2.89Å; R1197-D1246 IonicContact NE-OD2 3.32Å; R1197-D1246 PolarHBondContact NE-OD2 2.85Å; R1197-D1246 IonicContact NH2-OD1 3.06Å; R1197-D1246 IonicContact NH2-OD2 3.87Å; R1197-D1246 PolarHBondContact NH2-OD2 2.69Å; Y1239-D1246 WeakPolarHBondContact CE1-OD2 3.06Å; Y1239-D1246 PolarHBondContact OH-OD2 3.32Å; N1244-D1246 PolarHBondContact O-N 3.27Å; D1246-W1248 VanDerWaalsContact C-N 3.27Å; D1246-W1248 PolarHBondContact O-N 3.45Å; D1246-W1248 VanDerWaalsContact O-N 3.14Å; D1246-V1249 HydrophobicContact CB-CG2 4.29Å; D1246-V1249 PolarHBondContact O-N 3.32Å; D1246-G1250 PolarHBondContact O-N 3.03Å
1247	L	98.4	Very high	97.4	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-50.6	-45.1	-172.5	174.6	61.9	0	0	0	113.1	A1098 A1102 L1201 Y1207 V1249 G1250 G1251 T1265 F1266 I1269	A1098-L1247 HydrophobicContact CB-CD2 4.16Å; A1102-L1247 HydrophobicContact CB-CB 4.44Å; A1102-L1247 HydrophobicContact CB-CD2 3.73Å; A1102-L1247 HydrophobicContact CB-CG 3.94Å; L1201-L1247 HydrophobicContact CD1-CD2 4.23Å; Y1207-L1247 HydrophobicContact CD1-CD2 4.34Å; Y1207-L1247 HydrophobicContact CD2-CB 4.4Å; Y1207-L1247 HydrophobicContact CD2-CD1 3.7Å; Y1207-L1247 HydrophobicContact CD2-CD2 3.67Å; Y1207-L1247 HydrophobicContact CD2-CG 4.11Å; Y1207-L1247 HydrophobicContact CE1-CD2 4.31Å; Y1207-L1247 HydrophobicContact CE2-CD1 4.49Å; Y1207-L1247 HydrophobicContact CE2-CD2 3.62Å; Y1207-L1247 HydrophobicContact CE2-CG 4.44Å; Y1207-L1247 HydrophobicContact CG-CD1 3.79Å; Y1207-L1247 HydrophobicContact CG-CD2 4.03Å; L1247-V1249 VanDerWaalsContact C-N 3.32Å; L1247-V1249 PolarHBondContact O-N 3.19Å; L1247-G1250 PolarHBondContact O-N 3.27Å; L1247-G1251 PolarHBondContact O-N 2.67Å; L1247-T1265 HydrophobicContact CD1-CG2 4.23Å; L1247-F1266 HydrophobicContact CD1-CE1 4.39Å; L1247-F1266 HydrophobicContact CG-CE1 4.34Å; L1247-I1269 HydrophobicContact CD1-CD1 4.37Å; L1247-I1269 HydrophobicContact CD2-CD1 4.26Å
1248	W	98.4	Very high	97.2	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-40.6	-178.4	-174.8	78.7	0	0	0	112.2	I825 A1102 R1105 L1169 A1189 N1192 I1193 D1246 V1252	I825-W1248 HydrophobicContact CD1-CZ3 4.29Å; I825-W1248 HydrophobicContact CG1-CZ3 4.22Å; I825-W1248 HydrophobicContact CG2-CH2 3.96Å; I825-W1248 HydrophobicContact CG2-CZ3 4.28Å; A1102-W1248 HydrophobicContact CB-CB 4.13Å; R1105-W1248 PolarHBondContact O-NE1 2.99Å; L1169-W1248 HydrophobicContact CD1-CH2 3.96Å; L1169-W1248 HydrophobicContact CD1-CZ2 4.04Å; L1169-W1248 HydrophobicContact CD2-CH2 3.98Å; L1169-W1248 HydrophobicContact CD2-CZ2 4.24Å; A1189-W1248 HydrophobicContact CB-CH2 3.83Å; A1189-W1248 HydrophobicContact CB-CZ3 3.9Å; N1192-W1248 HydrophobicContact CB-CD2 3.73Å; N1192-W1248 HydrophobicContact CB-CE3 4.01Å; N1192-W1248 HydrophobicContact CB-CG 4.07Å; N1192-W1248 HydrophobicContact CB-CZ2 4.32Å; N1192-W1248 HydrophobicContact CB-CZ3 4.41Å; N1192-W1248 WeakPolarHBondContact ND2-CZ2 3.36Å; I1193-W1248 HydrophobicContact CG1-CE3 4.04Å; I1193-W1248 HydrophobicContact CG1-CZ3 4.42Å; D1246-W1248 VanDerWaalsContact C-N 3.27Å; D1246-W1248 PolarHBondContact O-N 3.45Å; D1246-W1248 VanDerWaalsContact O-N 3.14Å; W1248-V1252 HydrophobicContact CD2-CG2 4.15Å; W1248-V1252 HydrophobicContact CZ2-CG2 3.98Å; W1248-V1252 WeakPolarHBondContact O-CB 3.21Å; W1248-V1252 VanDerWaalsContact O-CG2 3.27Å; W1248-V1252 WeakPolarHBondContact O-CG2 3.14Å; W1248-V1252 PolarHBondContact O-N 3.12Å; W1248-V1252 VanDerWaalsContact O-N 3.11Å
1249	V	98.5	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.1	-51.9	178.9	179.3	0	0	0	0	110	V820 L824 I1193 L1235 Y1239 I1245 D1246 L1247 G1251 V1252 L1253	V820-V1249 HydrophobicContact CG1-CG1 4.25Å; V820-V1249 HydrophobicContact CG1-CG2 3.91Å; L824-V1249 HydrophobicContact CD1-CG1 4.21Å; I1193-V1249 HydrophobicContact CD1-CG2 3.79Å; I1193-V1249 HydrophobicContact CG1-CG2 3.64Å; L1235-V1249 HydrophobicContact CD2-CG1 4.3Å; Y1239-V1249 HydrophobicContact CE2-CG1 4.31Å; I1245-V1249 HydrophobicContact CG2-CB 4.32Å; I1245-V1249 HydrophobicContact CG2-CG1 4.43Å; D1246-V1249 HydrophobicContact CB-CG2 4.29Å; D1246-V1249 PolarHBondContact O-N 3.32Å; L1247-V1249 VanDerWaalsContact C-N 3.32Å; L1247-V1249 PolarHBondContact O-N 3.19Å; V1249-G1251 PolarHBondContact O-N 2.92Å; V1249-V1252 PolarHBondContact O-N 2.8Å; V1249-L1253 HydrophobicContact CG1-CD1 3.77Å; V1249-L1253 HydrophobicContact CG1-CG 4.33Å; V1249-L1253 VanDerWaalsContact O-CG 3.24Å; V1249-L1253 WeakPolarHBondContact O-CG 3.14Å; V1249-L1253 PolarHBondContact O-N 3.01Å; V1249-L1253 VanDerWaalsContact O-N 3.08Å
1250	G	97.9	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.2	-47.6	-179.5	0	0	0	0	0	112.4	D1246 L1247 V1252 L1253 E1254	D1246-G1250 PolarHBondContact O-N 3.03Å; L1247-G1250 PolarHBondContact O-N 3.27Å; G1250-V1252 PolarHBondContact O-N 3.33Å; G1250-L1253 PolarHBondContact O-N 2.91Å; G1250-E1254 WeakPolarHBondContact O-CG 3.39Å; G1250-E1254 PolarHBondContact O-N 2.88Å
1251	G	97.9	Very high	97	Very high	2 Å²	2	21 Å²	21	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-69.4	-28.6	-178.7	0	0	0	0	0	115.1	L1247 V1249 F1266	L1247-G1251 PolarHBondContact O-N 2.67Å; V1249-G1251 PolarHBondContact O-N 2.92Å; G1251-F1266 VanDerWaalsContact C-CE2 3.41Å
1252	V	97.6	Very high	97	Very high	12 Å²	12	19.5 Å²	19.5	7%	0.073	12%	0.121	C	C	.	.	H	α-helix	trans	-74.4	-35.5	173.4	167.1	0	0	0	0	111.9	I825 T1109 Y1168 W1248 V1249 G1250 E1254 F1266	I825-V1252 HydrophobicContact CD1-CG1 4.24Å; T1109-V1252 HydrophobicContact CG2-CG1 3.84Å; T1109-V1252 HydrophobicContact CG2-CG2 4.21Å; Y1168-V1252 HydrophobicContact CD1-CG1 3.46Å; Y1168-V1252 VanDerWaalsContact CD1-CG1 3.46Å; Y1168-V1252 HydrophobicContact CE1-CG1 4.13Å; Y1168-V1252 WeakPolarHBondContact CE1-O 3.26Å; Y1168-V1252 HydrophobicContact CG-CG1 3.82Å; W1248-V1252 HydrophobicContact CD2-CG2 4.15Å; W1248-V1252 HydrophobicContact CZ2-CG2 3.98Å; W1248-V1252 WeakPolarHBondContact O-CB 3.21Å; W1248-V1252 VanDerWaalsContact O-CG2 3.27Å; W1248-V1252 WeakPolarHBondContact O-CG2 3.14Å; W1248-V1252 PolarHBondContact O-N 3.12Å; W1248-V1252 VanDerWaalsContact O-N 3.11Å; V1249-V1252 PolarHBondContact O-N 2.8Å; G1250-V1252 PolarHBondContact O-N 3.33Å; V1252-E1254 VanDerWaalsContact C-N 3.32Å; V1252-F1266 HydrophobicContact CG2-CE2 3.87Å; V1252-F1266 HydrophobicContact CG2-CZ 4.39Å
1253	L	97.8	Very high	97	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-77.3	-17.4	-177.2	-66.1	-179.8	0	0	0	113.7	L824 I825 Y1168 I1226 L1231 L1235 V1249 G1250	L824-L1253 HydrophobicContact CD1-CD1 4.17Å; L824-L1253 HydrophobicContact CD2-CD1 4.35Å; I825-L1253 HydrophobicContact CD1-CD2 4.17Å; Y1168-L1253 HydrophobicContact CD2-CD2 3.96Å; Y1168-L1253 HydrophobicContact CE1-CD2 4.13Å; Y1168-L1253 HydrophobicContact CE2-CD2 3.26Å; Y1168-L1253 WeakPolarHBondContact OH-CD2 3.25Å; I1226-L1253 HydrophobicContact CD1-CB 4.06Å; I1226-L1253 HydrophobicContact CG1-CB 4.49Å; L1231-L1253 HydrophobicContact CD2-CD2 4.5Å; L1235-L1253 HydrophobicContact CD1-CD1 3.86Å; L1235-L1253 HydrophobicContact CD2-CD1 3.76Å; L1235-L1253 HydrophobicContact CG-CD1 3.98Å; V1249-L1253 HydrophobicContact CG1-CD1 3.77Å; V1249-L1253 HydrophobicContact CG1-CG 4.33Å; V1249-L1253 VanDerWaalsContact O-CG 3.24Å; V1249-L1253 WeakPolarHBondContact O-CG 3.14Å; V1249-L1253 PolarHBondContact O-N 3.01Å; V1249-L1253 VanDerWaalsContact O-N 3.08Å; G1250-L1253 PolarHBondContact O-N 2.91Å
1254	E	97.6	Very high	97.1	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.033	12%	0.117	C	C	.	.	S	Bend	trans	-58.2	137.6	174.4	-75.2	-179.4	166.1	0	0	111.8	Y1204 R1208 D1225 G1250 V1252 T1256 G1263 P1264 T1265	Y1204-E1254 HydrophobicContact CE2-CG 4.26Å; Y1204-E1254 WeakPolarHBondContact CE2-OE1 3.46Å; Y1204-E1254 VanDerWaalsContact CZ-OE1 3.28Å; Y1204-E1254 VanDerWaalsContact OH-CG 3.31Å; Y1204-E1254 WeakPolarHBondContact OH-CG 3.14Å; Y1204-E1254 PolarHBondContact OH-OE1 3.25Å; R1208-E1254 IonicContact CZ-OE1 2.73Å; R1208-E1254 IonicContact NH1-OE1 2.83Å; R1208-E1254 PolarHBondContact NH1-OE1 3.32Å; D1225-E1254 HydrophobicContact CB-CG 4.38Å; D1225-E1254 CarbonylContact O-C 3.48Å; D1225-E1254 WeakPolarHBondContact O-CA 3.46Å; G1250-E1254 WeakPolarHBondContact O-CG 3.39Å; G1250-E1254 PolarHBondContact O-N 2.88Å; V1252-E1254 VanDerWaalsContact C-N 3.32Å; E1254-T1256 PolarHBondContact O-N 2.97Å; E1254-G1263 VanDerWaalsContact OE2-CA 3.3Å; E1254-G1263 WeakPolarHBondContact OE2-CA 3.29Å; E1254-P1264 WeakPolarHBondContact OE2-CD 3.06Å; E1254-P1264 VanDerWaalsContact OE2-N 3.11Å; E1254-T1265 WeakPolarHBondContact OE1-CB 3.42Å; E1254-T1265 PolarHBondContact OE1-OG1 3.01Å; E1254-T1265 WeakPolarHBondContact OE2-CB 3.36Å; E1254-T1265 PolarHBondContact OE2-N 2.63Å; E1254-T1265 PolarHBondContact OE2-OG1 2.9Å
1255	K	96.6	Very high	97.2	Very high	136 Å²	136	19.1 Å²	19.1	59%	0.591	12%	0.117	S	C	*	.	P	Polyproline II helix	trans	-56	130.7	165.5	178.4	-178.8	174.6	-177.4	0	109.2	D1225 P1227	D1225-K1255 PolarHBondContact O-N 2.73Å; P1227-K1255 HydrophobicContact CG-CB 4.37Å; P1227-K1255 HydrophobicContact CG-CD 4.31Å
1256	T	96.5	Very high	97.3	Very high	52 Å²	52	19.2 Å²	19.2	32%	0.319	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-61.8	139.7	179.2	56.8	0	0	0	0	111.8	P1163 E1254 M1262	P1163-T1256 HydrophobicContact CG-CG2 4.12Å; E1254-T1256 PolarHBondContact O-N 2.97Å; T1256-M1262 WeakPolarHBondContact CA-O 3.34Å
1257	V	96.4	Very high	97.3	Very high	23 Å²	23	18.8 Å²	18.8	14%	0.139	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-65.3	143.5	170.5	-179.9	0	0	0	0	109.4	I1076 G1259 A1260 M1262 P1264 M1267	I1076-V1257 HydrophobicContact CB-CG1 4.1Å; I1076-V1257 HydrophobicContact CD1-CG1 3.7Å; I1076-V1257 HydrophobicContact CG1-CG1 4.4Å; I1076-V1257 HydrophobicContact CG2-CG1 4.41Å; V1257-G1259 PolarHBondContact O-N 3.1Å; V1257-A1260 HydrophobicContact CB-CB 3.97Å; V1257-A1260 WeakPolarHBondContact O-CB 3.39Å; V1257-A1260 PolarHBondContact O-N 3.26Å; V1257-M1262 PolarHBondContact N-O 3.26Å; V1257-P1264 HydrophobicContact CG2-CB 4.26Å; V1257-M1267 HydrophobicContact CB-SD 4.29Å; V1257-M1267 HydrophobicContact CG1-CE 4.43Å; V1257-M1267 HydrophobicContact CG1-SD 4.15Å; V1257-M1267 HydrophobicContact CG2-CE 4.07Å; V1257-M1267 HydrophobicContact CG2-SD 4.15Å
1258	A	93.7	Very high	97.3	Very high	77 Å²	77	19.7 Å²	19.7	64%	0.636	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	124.7	-177.9	0	0	0	0	0	112.1	A1260	A1258-A1260 PolarHBondContact O-N 2.97Å
1259	G	93.8	Very high	97.3	Very high	29 Å²	29	19.5 Å²	19.5	30%	0.299	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-11.8	-176.5	0	0	0	0	0	115.4	Y836 V1257	Y836-G1259 PolarHBondContact OH-O 3.34Å; V1257-G1259 PolarHBondContact O-N 3.1Å
1260	A	96.8	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-91.1	175.4	174.8	0	0	0	0	0	111.2	V1072 L1073 V1257 A1258	V1072-A1260 VanDerWaalsContact O-CA 3.31Å; V1072-A1260 WeakPolarHBondContact O-CA 3.29Å; V1072-A1260 WeakPolarHBondContact O-CB 2.83Å; L1073-A1260 WeakPolarHBondContact O-CB 3.49Å; V1257-A1260 HydrophobicContact CB-CB 3.97Å; V1257-A1260 WeakPolarHBondContact O-CB 3.39Å; V1257-A1260 PolarHBondContact O-N 3.26Å; A1258-A1260 PolarHBondContact O-N 2.97Å
1261	R	97.1	Very high	97.3	Very high	14 Å²	14	19.7 Å²	19.7	5%	0.053	12%	0.121	C	C	.	.	S	Bend	trans	-119.5	22.9	174.6	-65.1	-59.6	-178.7	-93.9	6.1	114	D833 E835 Y836 L840 V1072 F1106 L1110 P1163	D833-R1261 IonicContact OD1-CZ 3.98Å; D833-R1261 IonicContact OD1-NH2 3.18Å; D833-R1261 PolarHBondContact OD1-NH2 2.85Å; D833-R1261 IonicContact OD2-CZ 3.5Å; D833-R1261 VanDerWaalsContact OD2-CZ 3.3Å; D833-R1261 IonicContact OD2-NE 2.67Å; D833-R1261 PolarHBondContact OD2-NE 2.73Å; D833-R1261 IonicContact OD2-NH2 3.45Å; D833-R1261 PolarHBondContact OD2-NH2 3.15Å; D833-R1261 VanDerWaalsContact OD2-NH2 3.07Å; E835-R1261 IonicContact OE2-CZ 2.77Å; E835-R1261 IonicContact OE2-NH1 3.82Å; E835-R1261 PolarHBondContact OE2-NH1 3.25Å; E835-R1261 IonicContact OE2-NH2 3.63Å; E835-R1261 PolarHBondContact OE2-NH2 3.03Å; Y836-R1261 HydrophobicContact CD2-CG 4.05Å; Y836-R1261 VanDerWaalsContact CD2-NE 3.27Å; Y836-R1261 HydrophobicContact CE2-CG 4.06Å; Y836-R1261 VanDerWaalsContact CE2-NH1 3.33Å; L840-R1261 HydrophobicContact CD2-CG 4.24Å; V1072-R1261 PolarHBondContact O-N 2.78Å; F1106-R1261 HydrophobicContact CE2-CB 4.27Å; L1110-R1261 HydrophobicContact CD2-CB 4.24Å; P1163-R1261 HydrophobicContact CG-CB 4.29Å
1262	M	96.9	Very high	97.4	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.03	13%	0.127	C	C	.	.	S	Bend	trans	-151.7	161.6	-179.3	65.8	-165.8	68.8	0	0	111.2	V1072 L1073 F1106 T1256 V1257 F1266 M1267 I1270	V1072-M1262 HydrophobicContact CG1-CE 3.21Å; L1073-M1262 HydrophobicContact CD2-CE 4.42Å; L1073-M1262 HydrophobicContact CD2-SD 4.24Å; F1106-M1262 HydrophobicContact CD1-CE 4.05Å; F1106-M1262 HydrophobicContact CD2-CB 4.28Å; F1106-M1262 HydrophobicContact CD2-CE 3.94Å; F1106-M1262 HydrophobicContact CE1-CE 3.74Å; F1106-M1262 HydrophobicContact CE2-CE 3.61Å; F1106-M1262 HydrophobicContact CG-CB 4.49Å; F1106-M1262 HydrophobicContact CG-CE 4.17Å; F1106-M1262 HydrophobicContact CZ-CE 3.52Å; T1256-M1262 WeakPolarHBondContact CA-O 3.34Å; V1257-M1262 PolarHBondContact N-O 3.26Å; M1262-F1266 HydrophobicContact CB-CB 4.07Å; M1262-F1266 HydrophobicContact CG-CB 4.32Å; M1262-F1266 HydrophobicContact SD-CB 4.18Å; M1262-M1267 HydrophobicContact CG-CB 4.03Å; M1262-M1267 VanDerWaalsContact SD-CA 3.51Å; M1262-M1267 HydrophobicContact SD-CB 4.08Å; M1262-M1267 PolarHBondContact SD-N 3Å; M1262-I1270 HydrophobicContact CE-CD1 3.7Å; M1262-I1270 HydrophobicContact SD-CB 4.42Å; M1262-I1270 HydrophobicContact SD-CD1 3.6Å; M1262-I1270 HydrophobicContact SD-CG1 4.44Å
1263	G	97.2	Very high	97.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	12%	0.124	C	C	.	.			trans	-73.3	170.5	172.1	0	0	0	0	0	114.2	E1254 T1265 F1266 M1267	E1254-G1263 VanDerWaalsContact OE2-CA 3.3Å; E1254-G1263 WeakPolarHBondContact OE2-CA 3.29Å; G1263-T1265 VanDerWaalsContact C-N 3.28Å; G1263-T1265 PolarHBondContact O-N 3.45Å; G1263-F1266 PolarHBondContact O-N 3.4Å; G1263-M1267 WeakPolarHBondContact O-CB 3.46Å; G1263-M1267 PolarHBondContact O-N 3.06Å
1264	P	97.8	Very high	97.5	Very high	21 Å²	21	20.2 Å²	20.2	14%	0.136	12%	0.124	C	C	.	.	H	α-helix	trans	-59.8	-30.7	-176.6	24.7	-35.9	0	0	0	114.6	L1213 E1254 V1257 C1268	L1213-P1264 HydrophobicContact CD1-CB 3.92Å; L1213-P1264 HydrophobicContact CD1-CG 4.32Å; L1213-P1264 HydrophobicContact CD2-CB 4.39Å; E1254-P1264 WeakPolarHBondContact OE2-CD 3.06Å; E1254-P1264 VanDerWaalsContact OE2-N 3.11Å; V1257-P1264 HydrophobicContact CG2-CB 4.26Å; P1264-C1268 WeakPolarHBondContact O-CB 3.31Å; P1264-C1268 PolarHBondContact O-N 2.77Å
1265	T	98.5	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-71	-49.7	-179.2	-59.5	0	0	0	0	111.3	Y1204 R1208 L1247 E1254 G1263 C1268 I1269	Y1204-T1265 HydrophobicContact CD2-CG2 4.46Å; Y1204-T1265 HydrophobicContact CE2-CG2 4.35Å; R1208-T1265 HydrophobicContact CG-CG2 4.3Å; R1208-T1265 VanDerWaalsContact CG-OG1 3.24Å; R1208-T1265 WeakPolarHBondContact CG-OG1 3.43Å; L1247-T1265 HydrophobicContact CD1-CG2 4.23Å; E1254-T1265 WeakPolarHBondContact OE1-CB 3.42Å; E1254-T1265 PolarHBondContact OE1-OG1 3.01Å; E1254-T1265 WeakPolarHBondContact OE2-CB 3.36Å; E1254-T1265 PolarHBondContact OE2-N 2.63Å; E1254-T1265 PolarHBondContact OE2-OG1 2.9Å; G1263-T1265 VanDerWaalsContact C-N 3.28Å; G1263-T1265 PolarHBondContact O-N 3.45Å; T1265-C1268 WeakPolarHBondContact O-CB 3.34Å; T1265-C1268 PolarHBondContact O-N 3.1Å; T1265-I1269 HydrophobicContact CG2-CD1 4.42Å; T1265-I1269 PolarHBondContact O-N 3.18Å
1266	F	98.5	Very high	97.6	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-38.7	175.5	-76.3	-6.6	0	0	0	112.1	A1103 F1106 L1247 G1251 V1252 M1262 G1263 C1268 I1269 I1270	A1103-F1266 HydrophobicContact CB-CB 4.49Å; A1103-F1266 HydrophobicContact CB-CD1 3.8Å; A1103-F1266 HydrophobicContact CB-CE1 4.24Å; A1103-F1266 HydrophobicContact CB-CG 4.2Å; F1106-F1266 HydrophobicContact CB-CD2 3.83Å; F1106-F1266 HydrophobicContact CB-CE2 4.08Å; L1247-F1266 HydrophobicContact CD1-CE1 4.39Å; L1247-F1266 HydrophobicContact CG-CE1 4.34Å; G1251-F1266 VanDerWaalsContact C-CE2 3.41Å; V1252-F1266 HydrophobicContact CG2-CE2 3.87Å; V1252-F1266 HydrophobicContact CG2-CZ 4.39Å; M1262-F1266 HydrophobicContact CB-CB 4.07Å; M1262-F1266 HydrophobicContact CG-CB 4.32Å; M1262-F1266 HydrophobicContact SD-CB 4.18Å; G1263-F1266 PolarHBondContact O-N 3.4Å; F1266-C1268 VanDerWaalsContact C-N 3.26Å; F1266-C1268 PolarHBondContact O-N 2.92Å; F1266-I1269 PolarHBondContact O-N 3.4Å; F1266-I1270 WeakPolarHBondContact O-CB 3.39Å; F1266-I1270 WeakPolarHBondContact O-CG1 3.4Å; F1266-I1270 PolarHBondContact O-N 3.44Å
1267	M	98.5	Very high	97.7	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.02	10%	0.098	C	C	.	.	H	α-helix	trans	-56.2	-43.3	174.3	-176.1	-178.7	67.2	0	0	111.3	L1073 I1076 G1077 K1080 V1257 M1262 G1263 V1271	L1073-M1267 HydrophobicContact CD2-CG 4.26Å; I1076-M1267 HydrophobicContact CG2-CE 3.94Å; I1076-M1267 HydrophobicContact CG2-SD 4.34Å; G1077-M1267 VanDerWaalsContact CA-SD 3.57Å; K1080-M1267 HydrophobicContact CD-CE 4.19Å; V1257-M1267 HydrophobicContact CB-SD 4.29Å; V1257-M1267 HydrophobicContact CG1-CE 4.43Å; V1257-M1267 HydrophobicContact CG1-SD 4.15Å; V1257-M1267 HydrophobicContact CG2-CE 4.07Å; V1257-M1267 HydrophobicContact CG2-SD 4.15Å; M1262-M1267 HydrophobicContact CG-CB 4.03Å; M1262-M1267 VanDerWaalsContact SD-CA 3.51Å; M1262-M1267 HydrophobicContact SD-CB 4.08Å; M1262-M1267 PolarHBondContact SD-N 3Å; G1263-M1267 WeakPolarHBondContact O-CB 3.46Å; G1263-M1267 PolarHBondContact O-N 3.06Å; M1267-V1271 HydrophobicContact CG-CG2 4.28Å; M1267-V1271 VanDerWaalsContact O-CB 3.25Å; M1267-V1271 WeakPolarHBondContact O-CB 3.39Å; M1267-V1271 WeakPolarHBondContact O-CG2 3.15Å; M1267-V1271 PolarHBondContact O-N 3.11Å
1268	C	98.6	Very high	97.8	Very high	23 Å²	23	15.6 Å²	15.6	16%	0.155	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-48.7	177.4	163.8	0	0	0	0	112.8	W1210 C1211 P1264 T1265 F1266 D1272	W1210-C1268 VanDerWaalsContact CZ3-SG 3.52Å; C1211-C1268 VanDerWaalsContact CA-SG 3.51Å; C1211-C1268 HydrophobicContact CB-CB 3.75Å; C1211-C1268 WeakPolarHBondContact CB-SG 3.12Å; C1211-C1268 WeakPolarHBondContact SG-CB 3.36Å; C1211-C1268 CovalentContact SG-SG 2.03Å; C1211-C1268 PolarHBondContact SG-SG 2.87Å; P1264-C1268 WeakPolarHBondContact O-CB 3.31Å; P1264-C1268 PolarHBondContact O-N 2.77Å; T1265-C1268 WeakPolarHBondContact O-CB 3.34Å; T1265-C1268 PolarHBondContact O-N 3.1Å; F1266-C1268 VanDerWaalsContact C-N 3.26Å; F1266-C1268 PolarHBondContact O-N 2.92Å; C1268-D1272 WeakPolarHBondContact O-CB 3.18Å; C1268-D1272 PolarHBondContact O-N 3.11Å
1269	I	98.7	Very high	98	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.5	-42.6	179.2	-63.7	168.8	0	0	0	111.3	L788 F1099 A1103 Y1207 W1210 L1247 T1265 F1266 D1272 Q1273	L788-I1269 HydrophobicContact CD1-CG2 4.06Å; F1099-I1269 HydrophobicContact CB-CG2 4.24Å; A1103-I1269 HydrophobicContact CB-CB 3.93Å; A1103-I1269 HydrophobicContact CB-CD1 4.24Å; A1103-I1269 HydrophobicContact CB-CG2 3.62Å; Y1207-I1269 HydrophobicContact CD1-CD1 3.76Å; Y1207-I1269 HydrophobicContact CD1-CG1 4.34Å; Y1207-I1269 HydrophobicContact CE1-CD1 4.38Å; Y1207-I1269 HydrophobicContact CG-CD1 4.26Å; W1210-I1269 HydrophobicContact CZ3-CG1 4.32Å; L1247-I1269 HydrophobicContact CD1-CD1 4.37Å; L1247-I1269 HydrophobicContact CD2-CD1 4.26Å; T1265-I1269 HydrophobicContact CG2-CD1 4.42Å; T1265-I1269 PolarHBondContact O-N 3.18Å; F1266-I1269 PolarHBondContact O-N 3.4Å; I1269-D1272 PolarHBondContact O-N 3.06Å; I1269-Q1273 PolarHBondContact O-N 3.02Å
1270	I	98.6	Very high	98.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.7	-43.5	-179.6	-69.7	178.1	0	0	0	110.6	L1073 F1099 A1103 F1104 F1106 M1262 F1266 D1272 Q1273 F1274	L1073-I1270 HydrophobicContact CD2-CB 4.38Å; L1073-I1270 HydrophobicContact CD2-CG2 3.81Å; F1099-I1270 HydrophobicContact CD2-CG1 4.07Å; F1099-I1270 HydrophobicContact CE2-CB 4.44Å; F1099-I1270 HydrophobicContact CE2-CG1 3.94Å; F1099-I1270 HydrophobicContact CE2-CG2 4.42Å; A1103-I1270 HydrophobicContact CB-CD1 4.49Å; A1103-I1270 HydrophobicContact CB-CG1 4.14Å; F1104-I1270 HydrophobicContact CD2-CD1 4.11Å; F1104-I1270 HydrophobicContact CD2-CG1 4.46Å; F1106-I1270 HydrophobicContact CD1-CD1 3.7Å; F1106-I1270 HydrophobicContact CE1-CD1 3.77Å; M1262-I1270 HydrophobicContact CE-CD1 3.7Å; M1262-I1270 HydrophobicContact SD-CB 4.42Å; M1262-I1270 HydrophobicContact SD-CD1 3.6Å; M1262-I1270 HydrophobicContact SD-CG1 4.44Å; F1266-I1270 WeakPolarHBondContact O-CB 3.39Å; F1266-I1270 WeakPolarHBondContact O-CG1 3.4Å; F1266-I1270 PolarHBondContact O-N 3.44Å; I1270-D1272 VanDerWaalsContact C-N 3.31Å; I1270-D1272 PolarHBondContact O-N 3.17Å; I1270-Q1273 PolarHBondContact O-N 3.29Å; I1270-F1274 HydrophobicContact CG2-CD2 3.56Å; I1270-F1274 HydrophobicContact CG2-CE2 3.75Å; I1270-F1274 WeakPolarHBondContact O-CD2 3.32Å; I1270-F1274 PolarHBondContact O-N 2.87Å
1271	V	98.7	Very high	98.3	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.024	6%	0.057	C	C	.	.	H	α-helix	trans	-59.1	-42.7	175	164.3	0	0	0	0	111.7	L1073 K1080 L1081 M1267 R1275	L1073-V1271 HydrophobicContact CD1-CG2 3.88Å; L1073-V1271 HydrophobicContact CD2-CG2 4.02Å; K1080-V1271 HydrophobicContact CB-CG1 3.97Å; K1080-V1271 HydrophobicContact CB-CG2 4.43Å; L1081-V1271 HydrophobicContact CB-CG1 4.38Å; M1267-V1271 HydrophobicContact CG-CG2 4.28Å; M1267-V1271 VanDerWaalsContact O-CB 3.25Å; M1267-V1271 WeakPolarHBondContact O-CB 3.39Å; M1267-V1271 WeakPolarHBondContact O-CG2 3.15Å; M1267-V1271 PolarHBondContact O-N 3.11Å; V1271-R1275 VanDerWaalsContact CG1-NH2 3.26Å; V1271-R1275 VanDerWaalsContact O-CB 3.29Å; V1271-R1275 WeakPolarHBondContact O-CB 3.24Å; V1271-R1275 PolarHBondContact O-N 2.85Å
1272	D	98.5	Very high	98.3	Very high	27 Å²	27	12.5 Å²	12.5	14%	0.144	6%	0.059	C	C	.	.	H	α-helix	trans	-60.6	-49.1	175.3	167.8	70.5	0	0	0	111.9	L788 W1210 C1268 I1269 I1270 R1275 R1276	L788-D1272 WeakPolarHBondContact CD2-OD2 3.04Å; W1210-D1272 HydrophobicContact CH2-CB 3.87Å; C1268-D1272 WeakPolarHBondContact O-CB 3.18Å; C1268-D1272 PolarHBondContact O-N 3.11Å; I1269-D1272 PolarHBondContact O-N 3.06Å; I1270-D1272 VanDerWaalsContact C-N 3.31Å; I1270-D1272 PolarHBondContact O-N 3.17Å; D1272-R1275 PolarHBondContact O-N 3.37Å; D1272-R1276 PolarHBondContact O-N 3.15Å; D1272-R1276 VanDerWaalsContact O-N 3.11Å; D1272-R1276 IonicContact OD1-CZ 3.4Å; D1272-R1276 IonicContact OD1-NH1 2.88Å; D1272-R1276 PolarHBondContact OD1-NH1 3.17Å; D1272-R1276 IonicContact OD2-CZ 2.71Å; D1272-R1276 IonicContact OD2-NH1 3.23Å; D1272-R1276 PolarHBondContact OD2-NH1 3.01Å; D1272-R1276 IonicContact OD2-NH2 3.29Å; D1272-R1276 PolarHBondContact OD2-NH2 3.09Å
1273	Q	98.6	Very high	98.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.1	-50.7	179.5	-173.5	60.9	62	0	0	112.3	S1094 M1095 F1099 I1269 I1270 R1275 R1276 L1277	S1094-Q1273 PolarHBondContact O-NE2 3.36Å; M1095-Q1273 HydrophobicContact CE-CG 3.96Å; M1095-Q1273 HydrophobicContact SD-CG 4.14Å; F1099-Q1273 HydrophobicContact CB-CB 4.45Å; F1099-Q1273 HydrophobicContact CB-CG 4.38Å; F1099-Q1273 HydrophobicContact CD1-CG 4.01Å; F1099-Q1273 HydrophobicContact CD2-CB 3.5Å; F1099-Q1273 VanDerWaalsContact CD2-CB 3.5Å; F1099-Q1273 HydrophobicContact CD2-CG 3.67Å; F1099-Q1273 HydrophobicContact CE1-CG 4.17Å; F1099-Q1273 HydrophobicContact CE2-CB 3.8Å; F1099-Q1273 HydrophobicContact CE2-CG 3.82Å; F1099-Q1273 HydrophobicContact CG-CB 4Å; F1099-Q1273 HydrophobicContact CG-CG 3.77Å; F1099-Q1273 HydrophobicContact CZ-CG 4.07Å; I1269-Q1273 PolarHBondContact O-N 3.02Å; I1270-Q1273 PolarHBondContact O-N 3.29Å; Q1273-R1275 VanDerWaalsContact C-N 3.28Å; Q1273-R1275 PolarHBondContact O-N 3.01Å; Q1273-R1276 PolarHBondContact O-N 3.24Å; Q1273-R1276 VanDerWaalsContact O-N 3.12Å; Q1273-L1277 HydrophobicContact CG-CD1 4.3Å; Q1273-L1277 HydrophobicContact CG-CG 4.4Å; Q1273-L1277 WeakPolarHBondContact O-CG 3.37Å; Q1273-L1277 PolarHBondContact O-N 2.62Å
1274	F	98.7	Very high	98.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.1	-29.8	-178.8	-83.8	-84.5	0	0	0	112.7	L847 I931 T1064 F1065 W1068 L1069 L1081 F1099 F1104 I1270 L1277 R1278	L847-F1274 HydrophobicContact CD2-CE1 4.02Å; L847-F1274 HydrophobicContact CD2-CZ 3.87Å; I931-F1274 HydrophobicContact CD1-CE1 4.17Å; T1064-F1274 HydrophobicContact CG2-CD1 4.46Å; T1064-F1274 HydrophobicContact CG2-CE1 3.76Å; F1065-F1274 HydrophobicContact CE1-CB 4.47Å; F1065-F1274 AromaticContact CE2-CD1 3.93Å; F1065-F1274 HydrophobicContact CE2-CD1 3.93Å; F1065-F1274 HydrophobicContact CZ-CB 4.22Å; F1065-F1274 AromaticContact CZ-CD1 3.83Å; F1065-F1274 HydrophobicContact CZ-CD1 3.83Å; F1065-F1274 WeakPolarHBondContact CZ-O 3.41Å; W1068-F1274 HydrophobicContact CZ3-CE2 4.48Å; W1068-F1274 AromaticContact CZ3-CZ 3.98Å; W1068-F1274 HydrophobicContact CZ3-CZ 3.98Å; L1069-F1274 HydrophobicContact CD1-CB 4.19Å; L1069-F1274 HydrophobicContact CD1-CD1 3.72Å; L1069-F1274 HydrophobicContact CD1-CE1 4.31Å; L1069-F1274 HydrophobicContact CD1-CG 3.99Å; L1069-F1274 HydrophobicContact CD2-CD1 4.02Å; L1069-F1274 HydrophobicContact CD2-CD2 3.98Å; L1069-F1274 HydrophobicContact CD2-CE1 4.07Å; L1069-F1274 HydrophobicContact CD2-CE2 4.04Å; L1069-F1274 HydrophobicContact CD2-CG 3.97Å; L1069-F1274 HydrophobicContact CD2-CZ 4.08Å; L1069-F1274 HydrophobicContact CG-CD1 4.32Å; L1069-F1274 HydrophobicContact CG-CE1 4.47Å; L1081-F1274 HydrophobicContact CD1-CB 4.35Å; F1099-F1274 HydrophobicContact CE2-CD2 4.26Å; F1099-F1274 AromaticContact CE2-CE2 3.9Å; F1099-F1274 HydrophobicContact CE2-CE2 3.9Å; F1099-F1274 AromaticContact CZ-CE2 3.92Å; F1099-F1274 HydrophobicContact CZ-CE2 3.92Å; F1104-F1274 HydrophobicContact CD2-CE2 4.35Å; F1104-F1274 AromaticContact CE2-CE2 3.7Å; F1104-F1274 HydrophobicContact CE2-CE2 3.7Å; F1104-F1274 AromaticContact CE2-CZ 3.89Å; F1104-F1274 HydrophobicContact CE2-CZ 3.89Å; F1104-F1274 HydrophobicContact CZ-CE2 4.36Å; F1104-F1274 HydrophobicContact CZ-CZ 4.11Å; I1270-F1274 HydrophobicContact CG2-CD2 3.56Å; I1270-F1274 HydrophobicContact CG2-CE2 3.75Å; I1270-F1274 WeakPolarHBondContact O-CD2 3.32Å; I1270-F1274 PolarHBondContact O-N 2.87Å; F1274-L1277 HydrophobicContact CD1-CD1 4.03Å; F1274-L1277 HydrophobicContact CE1-CD1 4.22Å; F1274-L1277 HydrophobicContact CG-CD1 4.41Å; F1274-R1278 WeakPolarHBondContact O-CB 3.31Å; F1274-R1278 PolarHBondContact O-N 3.39Å
1275	R	98.6	Very high	98.4	Very high	78 Å²	78	12 Å²	12	29%	0.294	5%	0.054	S	C	.	.	H	α-helix	trans	-63.3	-47.8	170	-169.9	-178.2	-56.1	106.1	-4.2	111.4	K1080 L1081 V1271 D1272 Q1273 L1277 R1278 D1279	K1080-R1275 PolarHBondContact O-NH2 2.97Å; L1081-R1275 HydrophobicContact CD1-CB 3.89Å; L1081-R1275 PolarHBondContact O-NE 3.21Å; V1271-R1275 VanDerWaalsContact CG1-NH2 3.26Å; V1271-R1275 VanDerWaalsContact O-CB 3.29Å; V1271-R1275 WeakPolarHBondContact O-CB 3.24Å; V1271-R1275 PolarHBondContact O-N 2.85Å; D1272-R1275 PolarHBondContact O-N 3.37Å; Q1273-R1275 VanDerWaalsContact C-N 3.28Å; Q1273-R1275 PolarHBondContact O-N 3.01Å; R1275-L1277 VanDerWaalsContact C-N 3.35Å; R1275-L1277 PolarHBondContact O-N 2.76Å; R1275-R1278 PolarHBondContact O-N 2.75Å; R1275-D1279 WeakPolarHBondContact CG-OD2 3.5Å; R1275-D1279 WeakPolarHBondContact O-CB 3.13Å; R1275-D1279 VanDerWaalsContact O-CG 3.31Å; R1275-D1279 PolarHBondContact O-N 2.93Å
1276	R	98.3	Very high	98.4	Very high	26 Å²	26	14 Å²	14	10%	0.098	6%	0.063	C	C	.	.	H	α-helix	trans	-65.2	-37.4	178.8	-66.8	-162.9	-58.7	-100.4	-17.4	113	L788 V1091 D1092 D1272 Q1273 R1278 G1280	L788-R1276 VanDerWaalsContact CD2-NH1 3.32Å; V1091-R1276 HydrophobicContact CG1-CB 3.92Å; V1091-R1276 HydrophobicContact CG1-CG 3.89Å; D1092-R1276 WeakPolarHBondContact O-CD 3.37Å; D1092-R1276 PolarHBondContact O-NE 3.41Å; D1272-R1276 PolarHBondContact O-N 3.15Å; D1272-R1276 VanDerWaalsContact O-N 3.11Å; D1272-R1276 IonicContact OD1-CZ 3.4Å; D1272-R1276 IonicContact OD1-NH1 2.88Å; D1272-R1276 PolarHBondContact OD1-NH1 3.17Å; D1272-R1276 IonicContact OD2-CZ 2.71Å; D1272-R1276 IonicContact OD2-NH1 3.23Å; D1272-R1276 PolarHBondContact OD2-NH1 3.01Å; D1272-R1276 IonicContact OD2-NH2 3.29Å; D1272-R1276 PolarHBondContact OD2-NH2 3.09Å; Q1273-R1276 PolarHBondContact O-N 3.24Å; Q1273-R1276 VanDerWaalsContact O-N 3.12Å; R1276-R1278 VanDerWaalsContact C-N 3.25Å; R1276-R1278 PolarHBondContact O-N 3.34Å; R1276-G1280 WeakPolarHBondContact O-CA 3.3Å; R1276-G1280 PolarHBondContact O-N 3.19Å
1277	L	98.3	Very high	98.4	Very high	4 Å²	4	15 Å²	15	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-58.1	-38.9	174	-76.6	-179.4	0	0	0	112.8	L851 S929 I931 M1095 Q1273 F1274 R1275 D1281	L851-L1277 HydrophobicContact CD1-CD1 4.17Å; L851-L1277 HydrophobicContact CD2-CD1 4.12Å; L851-L1277 HydrophobicContact CD2-CD2 4.24Å; S929-L1277 WeakPolarHBondContact O-CD2 3.35Å; I931-L1277 HydrophobicContact CG1-CD1 4.47Å; M1095-L1277 HydrophobicContact CE-CD1 3.99Å; M1095-L1277 HydrophobicContact CE-CD2 3.21Å; M1095-L1277 HydrophobicContact CE-CG 3.81Å; Q1273-L1277 HydrophobicContact CG-CD1 4.3Å; Q1273-L1277 HydrophobicContact CG-CG 4.4Å; Q1273-L1277 WeakPolarHBondContact O-CG 3.37Å; Q1273-L1277 PolarHBondContact O-N 2.62Å; F1274-L1277 HydrophobicContact CD1-CD1 4.03Å; F1274-L1277 HydrophobicContact CE1-CD1 4.22Å; F1274-L1277 HydrophobicContact CG-CD1 4.41Å; R1275-L1277 VanDerWaalsContact C-N 3.35Å; R1275-L1277 PolarHBondContact O-N 2.76Å; L1277-D1281 WeakPolarHBondContact O-CB 3.31Å
1278	R	98.5	Very high	98.2	Very high	13 Å²	13	20.1 Å²	20.1	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-79.7	-51.9	179.9	-171.3	-172.9	65	-169.2	-2.7	112	F1065 G1082 E1083 Y1084 F1274 R1275 R1276 W1284	F1065-R1278 HydrophobicContact CE1-CB 3.81Å; F1065-R1278 HydrophobicContact CE1-CG 4.11Å; F1065-R1278 HydrophobicContact CZ-CB 3.79Å; F1065-R1278 HydrophobicContact CZ-CG 4.38Å; G1082-R1278 PolarHBondContact O-NH1 3.25Å; E1083-R1278 PolarHBondContact O-NH2 3.3Å; E1083-R1278 VanDerWaalsContact O-NH2 3.11Å; Y1084-R1278 HydrophobicContact CD2-CG 3.74Å; Y1084-R1278 HydrophobicContact CE2-CG 4.24Å; Y1084-R1278 HydrophobicContact CG-CG 4.46Å; F1274-R1278 WeakPolarHBondContact O-CB 3.31Å; F1274-R1278 PolarHBondContact O-N 3.39Å; R1275-R1278 PolarHBondContact O-N 2.75Å; R1276-R1278 VanDerWaalsContact C-N 3.25Å; R1276-R1278 PolarHBondContact O-N 3.34Å; R1278-W1284 HydrophobicContact CB-CD2 4.47Å; R1278-W1284 HydrophobicContact CB-CE3 4.35Å; R1278-W1284 HydrophobicContact CB-CZ3 4.41Å; R1278-W1284 HydrophobicContact CG-CD2 3.63Å; R1278-W1284 VanDerWaalsContact CG-CE2 3.44Å; R1278-W1284 HydrophobicContact CG-CE3 3.94Å; R1278-W1284 HydrophobicContact CG-CG 4.24Å; R1278-W1284 HydrophobicContact CG-CH2 3.95Å; R1278-W1284 HydrophobicContact CG-CZ2 3.6Å; R1278-W1284 HydrophobicContact CG-CZ3 4.09Å
1279	D	98.6	Very high	97.7	Very high	25 Å²	25	22.7 Å²	22.7	13%	0.134	13%	0.133	C	C	.	.	H	α-helix	trans	-80.6	-27.4	-169	-60.3	-8.2	0	0	0	111.6	Y1087 D1088 R1275	Y1087-D1279 WeakPolarHBondContact CA-O 3.44Å; Y1087-D1279 WeakPolarHBondContact CD2-O 3.39Å; D1088-D1279 PolarHBondContact N-O 3.22Å; R1275-D1279 WeakPolarHBondContact CG-OD2 3.5Å; R1275-D1279 WeakPolarHBondContact O-CB 3.13Å; R1275-D1279 VanDerWaalsContact O-CG 3.31Å; R1275-D1279 PolarHBondContact O-N 2.93Å
1280	G	98	Very high	97.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	9.2	178.4	0	0	0	0	0	115	R1276	R1276-G1280 WeakPolarHBondContact O-CA 3.3Å; R1276-G1280 PolarHBondContact O-N 3.19Å
1281	D	98.5	Very high	97.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.14	C	C	.	.			trans	-106.2	107.3	178.9	179.6	15.5	0	0	0	111.1	R764 N771 Y930 Q1061 Y1087 L1277 F1283 W1284	R764-D1281 IonicContact CZ-OD1 2.84Å; R764-D1281 IonicContact CZ-OD2 3.62Å; R764-D1281 IonicContact NH1-OD1 3.17Å; R764-D1281 PolarHBondContact NH1-OD1 3Å; R764-D1281 IonicContact NH1-OD2 2.78Å; R764-D1281 PolarHBondContact NH1-OD2 3.31Å; R764-D1281 VanDerWaalsContact NH2-CG 3.33Å; R764-D1281 IonicContact NH2-OD1 3.6Å; R764-D1281 PolarHBondContact NH2-OD1 3.28Å; R764-D1281 IonicContact NH2-OD2 2.75Å; R764-D1281 PolarHBondContact NH2-OD2 2.72Å; N771-D1281 PolarHBondContact ND2-OD1 3.43Å; Y930-D1281 HydrophobicContact CD1-CB 3.83Å; Y930-D1281 HydrophobicContact CE1-CB 4.04Å; Q1061-D1281 PolarHBondContact NE2-OD2 2.74Å; Y1087-D1281 VanDerWaalsContact CD2-C 3.5Å; L1277-D1281 WeakPolarHBondContact O-CB 3.31Å; D1281-F1283 PolarHBondContact O-N 3.33Å; D1281-F1283 VanDerWaalsContact O-N 3.12Å; D1281-F1283 PolarHBondContact OD1-N 3.04Å; D1281-W1284 HydrophobicContact CB-CB 4.3Å; D1281-W1284 VanDerWaalsContact O-CB 3.24Å; D1281-W1284 WeakPolarHBondContact O-CB 3.35Å; D1281-W1284 PolarHBondContact O-N 3.3Å; D1281-W1284 PolarHBondContact OD2-N 2.77Å
1282	R	97.8	Very high	97.3	Very high	27 Å²	27	25.6 Å²	25.6	10%	0.102	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.5	178.5	-177.5	170.3	56.7	82.4	-6	112.6	H760 C770 N771 F773 Y1087 N1287 V1290	H760-R1282 VanDerWaalsContact O-CZ 3.24Å; H760-R1282 PolarHBondContact O-NH1 3.05Å; H760-R1282 PolarHBondContact O-NH2 3.41Å; C770-R1282 PolarHBondContact O-NH2 3.08Å; N771-R1282 WeakPolarHBondContact O-CB 3.27Å; N771-R1282 PolarHBondContact O-NE 3.45Å; N771-R1282 VanDerWaalsContact OD1-CB 3.31Å; N771-R1282 WeakPolarHBondContact OD1-CB 3.32Å; N771-R1282 PolarHBondContact OD1-N 3.27Å; F773-R1282 VanDerWaalsContact CZ-CZ 3.47Å; Y1087-R1282 HydrophobicContact CD1-CB 4.28Å; Y1087-R1282 HydrophobicContact CD1-CG 4.31Å; Y1087-R1282 HydrophobicContact CD2-CB 4.14Å; Y1087-R1282 HydrophobicContact CE1-CB 4.03Å; Y1087-R1282 HydrophobicContact CE1-CG 4.16Å; Y1087-R1282 HydrophobicContact CE2-CB 3.87Å; Y1087-R1282 HydrophobicContact CG-CB 4.33Å; R1282-N1287 PolarHBondContact O-ND2 2.62Å; R1282-V1290 WeakPolarHBondContact O-CG2 3.43Å
1283	F	98.1	Very high	97.2	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.057	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	15.3	-179.6	-69.5	-76.4	0	0	0	112.4	H760 Y763 R764 D1281 Y1285	H760-F1283 VanDerWaalsContact O-CZ 3.28Å; H760-F1283 WeakPolarHBondContact O-CZ 3.5Å; Y763-F1283 WeakPolarHBondContact O-CZ 3.42Å; R764-F1283 HydrophobicContact CB-CE2 4.49Å; R764-F1283 HydrophobicContact CG-CB 3.98Å; R764-F1283 HydrophobicContact CG-CD1 4.31Å; R764-F1283 HydrophobicContact CG-CD2 3.53Å; R764-F1283 HydrophobicContact CG-CE2 3.95Å; R764-F1283 HydrophobicContact CG-CG 3.71Å; R764-F1283 PolarHBondContact NH2-O 2.91Å; D1281-F1283 PolarHBondContact O-N 3.33Å; D1281-F1283 VanDerWaalsContact O-N 3.12Å; D1281-F1283 PolarHBondContact OD1-N 3.04Å; F1283-Y1285 PolarHBondContact O-N 3.32Å
1284	W	98.5	Very high	97	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.011	20%	0.196	C	C	.	.			trans	-50.4	131.8	168.5	176.9	-107.1	0	0	0	109.7	Q1061 F1065 Y1084 R1278 D1281 E1286 N1287	Q1061-W1284 HydrophobicContact CB-CE3 4.43Å; Q1061-W1284 HydrophobicContact CB-CH2 4.16Å; Q1061-W1284 HydrophobicContact CB-CZ3 3.81Å; Q1061-W1284 HydrophobicContact CG-CE3 4.24Å; Q1061-W1284 HydrophobicContact CG-CZ3 3.88Å; F1065-W1284 HydrophobicContact CB-CH2 4.12Å; F1065-W1284 AromaticContact CD1-CH2 3.96Å; F1065-W1284 HydrophobicContact CD1-CH2 3.96Å; F1065-W1284 HydrophobicContact CD1-CZ2 4.44Å; F1065-W1284 AromaticContact CD2-CH2 3.33Å; F1065-W1284 HydrophobicContact CD2-CH2 3.33Å; F1065-W1284 HydrophobicContact CD2-CZ2 4.44Å; F1065-W1284 AromaticContact CD2-CZ3 3.82Å; F1065-W1284 HydrophobicContact CD2-CZ3 3.82Å; F1065-W1284 HydrophobicContact CE1-CH2 4.17Å; F1065-W1284 AromaticContact CE2-CH2 3.55Å; F1065-W1284 HydrophobicContact CE2-CH2 3.55Å; F1065-W1284 AromaticContact CE2-CZ3 3.6Å; F1065-W1284 HydrophobicContact CE2-CZ3 3.6Å; F1065-W1284 AromaticContact CG-CH2 3.53Å; F1065-W1284 HydrophobicContact CG-CH2 3.53Å; F1065-W1284 HydrophobicContact CG-CZ2 4.26Å; F1065-W1284 HydrophobicContact CG-CZ3 4.42Å; F1065-W1284 AromaticContact CZ-CH2 3.96Å; F1065-W1284 HydrophobicContact CZ-CH2 3.96Å; F1065-W1284 HydrophobicContact CZ-CZ3 4.06Å; Y1084-W1284 AromaticContact CD1-CD1 3.88Å; Y1084-W1284 AromaticContact CD1-NE1 3.77Å; Y1084-W1284 AromaticContact CD2-NE1 3.99Å; Y1084-W1284 AromaticContact CE1-CD1 3.46Å; Y1084-W1284 VanDerWaalsContact CE1-CD1 3.46Å; Y1084-W1284 AromaticContact CE1-NE1 3.86Å; Y1084-W1284 AromaticContact CE2-CD1 3.6Å; Y1084-W1284 HydrophobicContact CE2-CG 4.23Å; Y1084-W1284 AromaticContact CG-NE1 3.83Å; Y1084-W1284 AromaticContact CZ-CD1 3.28Å; Y1084-W1284 AromaticContact CZ-NE1 3.98Å; R1278-W1284 HydrophobicContact CB-CD2 4.47Å; R1278-W1284 HydrophobicContact CB-CE3 4.35Å; R1278-W1284 HydrophobicContact CB-CZ3 4.41Å; R1278-W1284 HydrophobicContact CG-CD2 3.63Å; R1278-W1284 VanDerWaalsContact CG-CE2 3.44Å; R1278-W1284 HydrophobicContact CG-CE3 3.94Å; R1278-W1284 HydrophobicContact CG-CG 4.24Å; R1278-W1284 HydrophobicContact CG-CH2 3.95Å; R1278-W1284 HydrophobicContact CG-CZ2 3.6Å; R1278-W1284 HydrophobicContact CG-CZ3 4.09Å; D1281-W1284 HydrophobicContact CB-CB 4.3Å; D1281-W1284 VanDerWaalsContact O-CB 3.24Å; D1281-W1284 WeakPolarHBondContact O-CB 3.35Å; D1281-W1284 PolarHBondContact O-N 3.3Å; D1281-W1284 PolarHBondContact OD2-N 2.77Å; W1284-E1286 PolarHBondContact NE1-OE2 2.98Å; W1284-E1286 PolarHBondContact O-N 3.34Å; W1284-N1287 HydrophobicContact CB-CB 4.32Å; W1284-N1287 WeakPolarHBondContact O-CB 3.39Å; W1284-N1287 PolarHBondContact O-N 2.92Å
1285	Y	97.7	Very high	96.9	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.7	-166.8	79.3	-79.5	0	0	0	114.3	A1058 Q1061 H1062 F1283 L1296 I1299 K1300	A1058-Y1285 HydrophobicContact CB-CG 4.47Å; Q1061-Y1285 HydrophobicContact CB-CD1 3.65Å; Q1061-Y1285 HydrophobicContact CB-CE1 4.15Å; Q1061-Y1285 HydrophobicContact CB-CG 4.49Å; H1062-Y1285 HydrophobicContact CB-CE1 4.29Å; H1062-Y1285 HydrophobicContact CB-CE2 4.13Å; H1062-Y1285 AromaticContact ND1-CZ 3.81Å; H1062-Y1285 PolarHBondContact ND1-OH 3.45Å; H1062-Y1285 VanDerWaalsContact ND1-OH 3.16Å; F1283-Y1285 PolarHBondContact O-N 3.32Å; Y1285-L1296 HydrophobicContact CD2-CD1 3.6Å; Y1285-L1296 HydrophobicContact CE2-CD1 3.94Å; Y1285-L1296 WeakPolarHBondContact O-CD1 3.38Å; Y1285-I1299 HydrophobicContact CD2-CG2 3.82Å; Y1285-I1299 HydrophobicContact CE2-CG2 4.25Å; Y1285-K1300 HydrophobicContact CE2-CG 4.11Å
1286	E	98	Very high	96.8	Very high	42 Å²	42	32.9 Å²	32.9	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.6	175.5	-53.4	-176.2	94.8	0	0	113.9	Y1084 W1284 P1288 L1296 K1300	Y1084-E1286 HydrophobicContact CD1-CB 3.92Å; Y1084-E1286 HydrophobicContact CE1-CB 3.94Å; W1284-E1286 PolarHBondContact NE1-OE2 2.98Å; W1284-E1286 PolarHBondContact O-N 3.34Å; E1286-P1288 WeakPolarHBondContact O-CD 3.39Å; E1286-L1296 HydrophobicContact CG-CD1 4.34Å; E1286-K1300 WeakPolarHBondContact OE1-CE 3.49Å; E1286-K1300 IonicContact OE1-NZ 3.96Å; E1286-K1300 PolarHBondContact OE1-NZ 3.36Å
1287	N	97.7	Very high	96.7	Very high	24 Å²	24	37.8 Å²	37.8	13%	0.128	22%	0.222	C	C	.	.	S	Bend	trans	-67.1	127.5	177.8	-169.6	35.4	0	0	0	110.2	Y1084 Y1087 R1282 W1284 G1289 V1290	Y1084-N1287 WeakPolarHBondContact OH-CA 3.17Å; Y1084-N1287 VanDerWaalsContact OH-CB 3.3Å; Y1084-N1287 WeakPolarHBondContact OH-CB 3.45Å; Y1084-N1287 PolarHBondContact OH-OD1 3.37Å; Y1087-N1287 WeakPolarHBondContact CB-OD1 3.48Å; R1282-N1287 PolarHBondContact O-ND2 2.62Å; W1284-N1287 HydrophobicContact CB-CB 4.32Å; W1284-N1287 WeakPolarHBondContact O-CB 3.39Å; W1284-N1287 PolarHBondContact O-N 2.92Å; N1287-G1289 PolarHBondContact O-N 3.23Å; N1287-V1290 HydrophobicContact CB-CG2 3.85Å; N1287-V1290 WeakPolarHBondContact O-CB 3.45Å; N1287-V1290 WeakPolarHBondContact O-CG2 3.38Å; N1287-V1290 PolarHBondContact O-N 3.31Å; N1287-V1290 VanDerWaalsContact O-N 3.08Å
1288	P	94.5	Very high	96.6	Very high	111 Å²	111	38.3 Å²	38.3	72%	0.721	22%	0.224	S	C	*	.	B	Isolated β-bridge	trans	-53.2	129.9	180	-29.6	36.6	0	0	0	112.7	E1286	E1286-P1288 WeakPolarHBondContact O-CD 3.39Å
1289	G	89.8	Confident	96.5	Very high	76 Å²	76	37.7 Å²	37.7	78%	0.784	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	-8.4	-179.2	0	0	0	0	0	115.1	N1287	N1287-G1289 PolarHBondContact O-N 3.23Å
1290	V	96	Very high	96.4	Very high	13 Å²	13	41 Å²	41	8%	0.079	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-49.6	171.2	179.9	0	0	0	0	110.3	K1054 R1282 N1287	K1054-V1290 WeakPolarHBondContact CE-O 3.35Å; K1054-V1290 PolarHBondContact NZ-O 2.88Å; R1282-V1290 WeakPolarHBondContact O-CG2 3.43Å; N1287-V1290 HydrophobicContact CB-CG2 3.85Å; N1287-V1290 WeakPolarHBondContact O-CB 3.45Å; N1287-V1290 WeakPolarHBondContact O-CG2 3.38Å; N1287-V1290 PolarHBondContact O-N 3.31Å; N1287-V1290 VanDerWaalsContact O-N 3.08Å
1291	F	96.4	Very high	96.3	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.075	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-127	153	172.5	-67.1	-76.2	0	0	0	110.5	K1054 I1055 A1058 Q1295 L1296 I1299 W1349	K1054-F1291 HydrophobicContact CD-CE1 4.09Å; K1054-F1291 HydrophobicContact CD-CZ 4.17Å; K1054-F1291 HydrophobicContact CG-CE1 4.02Å; K1054-F1291 HydrophobicContact CG-CE2 4.48Å; K1054-F1291 HydrophobicContact CG-CZ 3.66Å; I1055-F1291 HydrophobicContact CG1-CE1 4.35Å; A1058-F1291 HydrophobicContact CB-CE2 3.58Å; A1058-F1291 HydrophobicContact CB-CZ 3.75Å; F1291-Q1295 HydrophobicContact CB-CB 3.96Å; F1291-Q1295 HydrophobicContact CD1-CB 4.29Å; F1291-L1296 HydrophobicContact CB-CB 4.42Å; F1291-I1299 HydrophobicContact CB-CD1 4.36Å; F1291-I1299 HydrophobicContact CD1-CD1 3.64Å; F1291-I1299 HydrophobicContact CD2-CD1 3.44Å; F1291-I1299 VanDerWaalsContact CD2-CD1 3.44Å; F1291-I1299 HydrophobicContact CE1-CD1 3.61Å; F1291-I1299 HydrophobicContact CE2-CD1 3.42Å; F1291-I1299 VanDerWaalsContact CE2-CD1 3.42Å; F1291-I1299 HydrophobicContact CG-CD1 3.54Å; F1291-I1299 HydrophobicContact CZ-CD1 3.46Å; F1291-I1299 VanDerWaalsContact CZ-CD1 3.46Å; F1291-W1349 AromaticContact CD1-CZ2 3.6Å; F1291-W1349 HydrophobicContact CD1-CZ2 3.6Å; F1291-W1349 AromaticContact CE1-CZ2 3.67Å; F1291-W1349 HydrophobicContact CE1-CZ2 3.67Å
1292	A	95.1	Very high	96.1	Very high	36 Å²	36	45.8 Å²	45.8	30%	0.298	26%	0.256	S	S	.	.			trans	-63.6	153.5	168	0	0	0	0	0	110.4	E1294 Q1295 L1296	A1292-E1294 PolarHBondContact O-N 2.82Å; A1292-Q1295 HydrophobicContact CB-CB 4.29Å; A1292-Q1295 HydrophobicContact CB-CG 4.04Å; A1292-Q1295 WeakPolarHBondContact O-CB 3.45Å; A1292-Q1295 PolarHBondContact O-N 2.7Å; A1292-L1296 PolarHBondContact O-N 2.88Å
1293	P	95.5	Very high	96	Very high	88 Å²	88	46.1 Å²	46.1	57%	0.571	26%	0.261	S	S	*	.	H	α-helix	trans	-52.7	-39.3	-179.7	-28.1	36.3	0	0	0	113.9	L1296 Q1297	P1293-L1296 PolarHBondContact O-N 2.98Å; P1293-Q1297 WeakPolarHBondContact O-CG 3.41Å; P1293-Q1297 PolarHBondContact O-N 3.46Å
1294	E	94.5	Very high	96	Very high	101 Å²	101	45.7 Å²	45.7	47%	0.472	26%	0.259	S	S	.	.	H	α-helix	trans	-68.7	-43.3	178.5	-55.8	74.4	-162.8	0	0	110.8	A1292 L1296 Q1297 E1298 M1348	A1292-E1294 PolarHBondContact O-N 2.82Å; E1294-L1296 VanDerWaalsContact C-N 3.34Å; E1294-L1296 PolarHBondContact O-N 3Å; E1294-Q1297 PolarHBondContact O-N 3.27Å; E1294-E1298 WeakPolarHBondContact O-CG 3.35Å; E1294-E1298 PolarHBondContact O-N 2.88Å; E1294-E1298 VanDerWaalsContact O-N 3.13Å; E1294-M1348 HydrophobicContact CB-CB 4.42Å; E1294-M1348 HydrophobicContact CB-CG 4.23Å; E1294-M1348 HydrophobicContact CB-SD 3.98Å
1295	Q	96.5	Very high	95.9	Very high	33 Å²	33	45.6 Å²	45.6	15%	0.154	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-41.9	174.6	-69.4	176.9	-15.4	0	0	111.8	F1291 A1292 E1298 I1299 M1348 W1349	F1291-Q1295 HydrophobicContact CB-CB 3.96Å; F1291-Q1295 HydrophobicContact CD1-CB 4.29Å; A1292-Q1295 HydrophobicContact CB-CB 4.29Å; A1292-Q1295 HydrophobicContact CB-CG 4.04Å; A1292-Q1295 WeakPolarHBondContact O-CB 3.45Å; A1292-Q1295 PolarHBondContact O-N 2.7Å; Q1295-E1298 WeakPolarHBondContact O-CB 3.43Å; Q1295-E1298 PolarHBondContact O-N 3.38Å; Q1295-I1299 WeakPolarHBondContact O-CG1 3.15Å; Q1295-I1299 PolarHBondContact O-N 3.28Å; Q1295-M1348 HydrophobicContact CG-CB 4.09Å; Q1295-M1348 VanDerWaalsContact CG-O 3.24Å; Q1295-M1348 WeakPolarHBondContact CG-O 3.33Å; Q1295-M1348 PolarHBondContact NE2-O 3.28Å; Q1295-W1349 HydrophobicContact CB-CD2 4.45Å; Q1295-W1349 HydrophobicContact CB-CE3 4.31Å; Q1295-W1349 HydrophobicContact CB-CH2 3.41Å; Q1295-W1349 VanDerWaalsContact CB-CH2 3.41Å; Q1295-W1349 HydrophobicContact CB-CZ2 3.59Å; Q1295-W1349 HydrophobicContact CB-CZ3 3.8Å; Q1295-W1349 HydrophobicContact CG-CD2 3.77Å; Q1295-W1349 HydrophobicContact CG-CE3 3.77Å; Q1295-W1349 HydrophobicContact CG-CH2 3.79Å; Q1295-W1349 HydrophobicContact CG-CZ2 3.81Å; Q1295-W1349 HydrophobicContact CG-CZ3 3.77Å; Q1295-W1349 WeakPolarHBondContact O-CH2 3.25Å
1296	L	96.7	Very high	95.8	Very high	35 Å²	35	46.5 Å²	46.5	18%	0.183	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-41.5	177.6	179.2	58.5	0	0	0	111.8	Y1285 E1286 F1291 A1292 P1293 E1294 E1298 I1299 K1300	Y1285-L1296 HydrophobicContact CD2-CD1 3.6Å; Y1285-L1296 HydrophobicContact CE2-CD1 3.94Å; Y1285-L1296 WeakPolarHBondContact O-CD1 3.38Å; E1286-L1296 HydrophobicContact CG-CD1 4.34Å; F1291-L1296 HydrophobicContact CB-CB 4.42Å; A1292-L1296 PolarHBondContact O-N 2.88Å; P1293-L1296 PolarHBondContact O-N 2.98Å; E1294-L1296 VanDerWaalsContact C-N 3.34Å; E1294-L1296 PolarHBondContact O-N 3Å; L1296-E1298 VanDerWaalsContact C-N 3.26Å; L1296-E1298 PolarHBondContact O-N 3.24Å; L1296-I1299 PolarHBondContact O-N 3.21Å; L1296-K1300 HydrophobicContact CD1-CG 4.38Å; L1296-K1300 HydrophobicContact CG-CD 4.49Å; L1296-K1300 WeakPolarHBondContact O-CG 3.25Å; L1296-K1300 PolarHBondContact O-N 3.2Å
1297	Q	96.2	Very high	95.8	Very high	129 Å²	129	44.6 Å²	44.6	60%	0.603	25%	0.254	S	S	*	.	H	α-helix	trans	-60.4	-38.4	174.5	-74.8	177.5	2	0	0	111.9	P1293 E1294	P1293-Q1297 WeakPolarHBondContact O-CG 3.41Å; P1293-Q1297 PolarHBondContact O-N 3.46Å; E1294-Q1297 PolarHBondContact O-N 3.27Å
1298	E	96.7	Very high	95.7	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.075	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-46.5	174.8	-67.6	-50.9	139.9	0	0	111.6	E1294 Q1295 L1296 K1300 K1301 F1344 N1345 M1348 W1349	E1294-E1298 WeakPolarHBondContact O-CG 3.35Å; E1294-E1298 PolarHBondContact O-N 2.88Å; E1294-E1298 VanDerWaalsContact O-N 3.13Å; Q1295-E1298 WeakPolarHBondContact O-CB 3.43Å; Q1295-E1298 PolarHBondContact O-N 3.38Å; L1296-E1298 VanDerWaalsContact C-N 3.26Å; L1296-E1298 PolarHBondContact O-N 3.24Å; E1298-K1300 VanDerWaalsContact C-N 3.26Å; E1298-K1300 PolarHBondContact O-N 3.3Å; E1298-K1301 WeakPolarHBondContact O-CB 3.44Å; E1298-K1301 PolarHBondContact O-N 3.12Å; E1298-K1301 IonicContact OE1-NZ 3.83Å; E1298-K1301 PolarHBondContact OE1-NZ 3.49Å; E1298-K1301 WeakPolarHBondContact OE2-CE 2.9Å; E1298-K1301 IonicContact OE2-NZ 2.57Å; E1298-K1301 PolarHBondContact OE2-NZ 2.98Å; E1298-F1344 HydrophobicContact CB-CB 3.96Å; E1298-F1344 HydrophobicContact CB-CD2 4.11Å; E1298-F1344 WeakPolarHBondContact O-CB 3.15Å; E1298-F1344 WeakPolarHBondContact OE2-CA 3.45Å; E1298-N1345 HydrophobicContact CG-CB 4.38Å; E1298-N1345 PolarHBondContact OE2-N 2.8Å; E1298-M1348 HydrophobicContact CG-CB 4.25Å; E1298-M1348 HydrophobicContact CG-CG 3.64Å; E1298-W1349 HydrophobicContact CB-CZ3 4.14Å
1299	I	96.3	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.4	-42.9	176.6	-73.5	158.8	0	0	0	111.6	A1058 Y1285 F1291 Q1295 L1296 K1301 T1302 W1349	A1058-I1299 HydrophobicContact CB-CD1 4.04Å; A1058-I1299 HydrophobicContact CB-CG1 4.47Å; A1058-I1299 HydrophobicContact CB-CG2 3.99Å; Y1285-I1299 HydrophobicContact CD2-CG2 3.82Å; Y1285-I1299 HydrophobicContact CE2-CG2 4.25Å; F1291-I1299 HydrophobicContact CB-CD1 4.36Å; F1291-I1299 HydrophobicContact CD1-CD1 3.64Å; F1291-I1299 HydrophobicContact CD2-CD1 3.44Å; F1291-I1299 VanDerWaalsContact CD2-CD1 3.44Å; F1291-I1299 HydrophobicContact CE1-CD1 3.61Å; F1291-I1299 HydrophobicContact CE2-CD1 3.42Å; F1291-I1299 VanDerWaalsContact CE2-CD1 3.42Å; F1291-I1299 HydrophobicContact CG-CD1 3.54Å; F1291-I1299 HydrophobicContact CZ-CD1 3.46Å; F1291-I1299 VanDerWaalsContact CZ-CD1 3.46Å; Q1295-I1299 WeakPolarHBondContact O-CG1 3.15Å; Q1295-I1299 PolarHBondContact O-N 3.28Å; L1296-I1299 PolarHBondContact O-N 3.21Å; I1299-K1301 PolarHBondContact O-N 3.06Å; I1299-K1301 VanDerWaalsContact O-N 3.07Å; I1299-T1302 VanDerWaalsContact O-CB 3.23Å; I1299-T1302 WeakPolarHBondContact O-CB 3.46Å; I1299-T1302 PolarHBondContact O-N 3.39Å; I1299-T1302 PolarHBondContact O-OG1 3.18Å; I1299-W1349 HydrophobicContact CD1-CH2 3.98Å; I1299-W1349 HydrophobicContact CD1-CZ2 3.99Å; I1299-W1349 HydrophobicContact CG1-CH2 3.93Å; I1299-W1349 HydrophobicContact CG1-CZ2 4.35Å
1300	K	96.1	Very high	96.1	Very high	93 Å²	93	38.2 Å²	38.2	40%	0.404	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-4.3	179.3	-73.8	-175	174.7	-164.8	0	114.9	H1062 Y1285 E1286 L1296 E1298	H1062-K1300 PolarHBondContact NE2-O 3.06Å; Y1285-K1300 HydrophobicContact CE2-CG 4.11Å; E1286-K1300 WeakPolarHBondContact OE1-CE 3.49Å; E1286-K1300 IonicContact OE1-NZ 3.96Å; E1286-K1300 PolarHBondContact OE1-NZ 3.36Å; L1296-K1300 HydrophobicContact CD1-CG 4.38Å; L1296-K1300 HydrophobicContact CG-CD 4.49Å; L1296-K1300 WeakPolarHBondContact O-CG 3.25Å; L1296-K1300 PolarHBondContact O-N 3.2Å; E1298-K1300 VanDerWaalsContact C-N 3.26Å; E1298-K1300 PolarHBondContact O-N 3.3Å
1301	K	95.4	Very high	96.1	Very high	102 Å²	102	37.8 Å²	37.8	44%	0.443	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-11.3	170.3	-60.6	175.3	-169.8	170.5	0	112.8	E1298 I1299 T1303 F1344	E1298-K1301 WeakPolarHBondContact O-CB 3.44Å; E1298-K1301 PolarHBondContact O-N 3.12Å; E1298-K1301 IonicContact OE1-NZ 3.83Å; E1298-K1301 PolarHBondContact OE1-NZ 3.49Å; E1298-K1301 WeakPolarHBondContact OE2-CE 2.9Å; E1298-K1301 IonicContact OE2-NZ 2.57Å; E1298-K1301 PolarHBondContact OE2-NZ 2.98Å; I1299-K1301 PolarHBondContact O-N 3.06Å; I1299-K1301 VanDerWaalsContact O-N 3.07Å; K1301-T1303 PolarHBondContact O-N 2.86Å; K1301-F1344 HydrophobicContact CB-CB 4.41Å
1302	T	94.5	Very high	96	Very high	2 Å²	2	37 Å²	37	1%	0.012	19%	0.189	C	C	.	.			trans	-66.2	132	-174.1	-62.4	0	0	0	0	111.2	Q1059 H1062 I1063 I1299 V1307	Q1059-T1302 HydrophobicContact CB-CG2 3.86Å; Q1059-T1302 HydrophobicContact CG-CG2 3.71Å; Q1059-T1302 VanDerWaalsContact NE2-CG2 3.3Å; Q1059-T1302 PolarHBondContact NE2-OG1 3.38Å; H1062-T1302 PolarHBondContact CD2-O 2.99Å; H1062-T1302 VanDerWaalsContact CD2-O 3.24Å; H1062-T1302 PolarHBondContact NE2-O 3.02Å; I1063-T1302 HydrophobicContact CD1-CG2 4.06Å; I1063-T1302 HydrophobicContact CG1-CG2 4.33Å; I1299-T1302 VanDerWaalsContact O-CB 3.23Å; I1299-T1302 WeakPolarHBondContact O-CB 3.46Å; I1299-T1302 PolarHBondContact O-N 3.39Å; I1299-T1302 PolarHBondContact O-OG1 3.18Å; T1302-V1307 HydrophobicContact CG2-CG2 4.46Å
1303	T	96.4	Very high	95.7	Very high	34 Å²	34	37.1 Å²	37.1	21%	0.209	18%	0.184	C	C	.	.			trans	-129	153.1	168.4	64.3	0	0	0	0	110.5	K1301 A1305 R1306 V1307	K1301-T1303 PolarHBondContact O-N 2.86Å; T1303-A1305 PolarHBondContact O-N 2.95Å; T1303-R1306 PolarHBondContact O-N 3.47Å; T1303-R1306 VanDerWaalsContact O-N 3.17Å; T1303-R1306 WeakPolarHBondContact OG1-CB 3.34Å; T1303-R1306 PolarHBondContact OG1-N 3.42Å; T1303-V1307 PolarHBondContact O-N 2.9Å; T1303-V1307 VanDerWaalsContact O-N 3.17Å
1304	L	97	Very high	95.5	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-30.5	173.3	-175.3	57.4	0	0	0	111.5	M839 W843 L1024 W1025 I1063 R1306 V1307 L1308 V1322 F1323	M839-L1304 HydrophobicContact CG-CD2 3.9Å; M839-L1304 HydrophobicContact SD-CD2 3.94Å; W843-L1304 HydrophobicContact CE3-CD1 4.38Å; W843-L1304 HydrophobicContact CE3-CD2 3.71Å; W843-L1304 HydrophobicContact CZ3-CD1 3.92Å; W843-L1304 HydrophobicContact CZ3-CD2 4.04Å; L1024-L1304 HydrophobicContact CD2-CD1 4.37Å; W1025-L1304 HydrophobicContact CZ2-CD1 4.36Å; I1063-L1304 HydrophobicContact CD1-CB 4.21Å; I1063-L1304 HydrophobicContact CG2-CB 4.28Å; L1304-R1306 VanDerWaalsContact C-N 3.34Å; L1304-R1306 PolarHBondContact O-N 3.3Å; L1304-V1307 HydrophobicContact CD1-CB 4.3Å; L1304-V1307 HydrophobicContact CD1-CG1 4.49Å; L1304-V1307 PolarHBondContact O-N 3.33Å; L1304-L1308 HydrophobicContact CG-CD1 4.29Å; L1304-L1308 VanDerWaalsContact O-CG 3.28Å; L1304-L1308 WeakPolarHBondContact O-CG 3.48Å; L1304-L1308 PolarHBondContact O-N 2.68Å; L1304-V1322 HydrophobicContact CB-CG2 3.76Å; L1304-V1322 HydrophobicContact CD2-CG2 3.67Å; L1304-V1322 HydrophobicContact CG-CG2 3.77Å; L1304-F1323 HydrophobicContact CD2-CE1 3.98Å; L1304-F1323 HydrophobicContact CD2-CZ 3.73Å
1305	A	97.4	Very high	95.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-55.5	-46.9	172	0	0	0	0	0	112	T1303 L1308 C1309 V1318 Q1319 V1322 L1340	T1303-A1305 PolarHBondContact O-N 2.95Å; A1305-L1308 WeakPolarHBondContact O-CB 3.24Å; A1305-L1308 PolarHBondContact O-N 2.68Å; A1305-C1309 PolarHBondContact O-N 3.1Å; A1305-C1309 PolarHBondContact O-SG 3.28Å; A1305-C1309 VanDerWaalsContact O-SG 3.38Å; A1305-V1318 HydrophobicContact CB-CG2 3.92Å; A1305-Q1319 WeakPolarHBondContact CB-O 3.25Å; A1305-V1322 HydrophobicContact CB-CG1 3.89Å; A1305-L1340 HydrophobicContact CB-CD1 4.03Å
1306	R	95.8	Very high	95.4	Very high	20 Å²	20	38 Å²	38	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-38.9	178.5	-175.7	57.8	68.1	-167.7	15	112.2	T1303 L1304 L1308 C1309 H1310 C1337 L1340 P1341 D1343	T1303-R1306 PolarHBondContact O-N 3.47Å; T1303-R1306 VanDerWaalsContact O-N 3.17Å; T1303-R1306 WeakPolarHBondContact OG1-CB 3.34Å; T1303-R1306 PolarHBondContact OG1-N 3.42Å; L1304-R1306 VanDerWaalsContact C-N 3.34Å; L1304-R1306 PolarHBondContact O-N 3.3Å; R1306-L1308 VanDerWaalsContact C-N 3.33Å; R1306-L1308 PolarHBondContact O-N 3.28Å; R1306-C1309 PolarHBondContact O-N 3.42Å; R1306-H1310 WeakPolarHBondContact CD-NE2 3.38Å; R1306-H1310 PolarHBondContact O-CD2 3.31Å; R1306-H1310 VanDerWaalsContact O-CD2 3.23Å; R1306-H1310 PolarHBondContact O-N 3.17Å; R1306-H1310 VanDerWaalsContact O-N 3.11Å; R1306-C1337 PolarHBondContact NH1-O 2.03Å; R1306-C1337 PolarHBondContact NH2-O 2.98Å; R1306-L1340 PolarHBondContact NH2-O 3.3Å; R1306-P1341 PolarHBondContact NE-O 2.83Å; R1306-P1341 PolarHBondContact NH2-O 3.3Å; R1306-D1343 HydrophobicContact CG-CB 4.19Å
1307	V	96.6	Very high	95.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-41.4	173.6	176.3	0	0	0	0	111	L1024 W1025 Q1028 T1302 T1303 L1304 H1310 N1311	L1024-V1307 HydrophobicContact CD2-CG1 4.05Å; L1024-V1307 HydrophobicContact CG-CG1 4.12Å; W1025-V1307 HydrophobicContact CH2-CG2 4.34Å; Q1028-V1307 HydrophobicContact CB-CG1 4.27Å; Q1028-V1307 HydrophobicContact CG-CG1 4.25Å; T1302-V1307 HydrophobicContact CG2-CG2 4.46Å; T1303-V1307 PolarHBondContact O-N 2.9Å; T1303-V1307 VanDerWaalsContact O-N 3.17Å; L1304-V1307 HydrophobicContact CD1-CB 4.3Å; L1304-V1307 HydrophobicContact CD1-CG1 4.49Å; L1304-V1307 PolarHBondContact O-N 3.33Å; V1307-H1310 PolarHBondContact O-N 3.42Å; V1307-N1311 WeakPolarHBondContact O-CB 3.39Å; V1307-N1311 PolarHBondContact O-N 3.48Å; V1307-N1311 VanDerWaalsContact O-N 3.11Å; V1307-N1311 PolarHBondContact O-ND2 2.97Å
1308	L	97.4	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-48.7	175.7	-70.8	162.3	0	0	0	111.9	M839 L1024 L1152 F1156 L1304 A1305 R1306 H1310 N1311 G1312 V1318 V1322	M839-L1308 HydrophobicContact CE-CD1 4.46Å; L1024-L1308 HydrophobicContact CD1-CD2 4.19Å; L1024-L1308 HydrophobicContact CD2-CD2 3.77Å; L1024-L1308 HydrophobicContact CD2-CG 4.39Å; L1152-L1308 HydrophobicContact CB-CD2 4.21Å; L1152-L1308 HydrophobicContact CD1-CD2 3.92Å; L1152-L1308 HydrophobicContact CD2-CD2 3.81Å; L1152-L1308 HydrophobicContact CG-CD2 4.2Å; F1156-L1308 HydrophobicContact CD1-CD1 4.08Å; L1304-L1308 HydrophobicContact CG-CD1 4.29Å; L1304-L1308 VanDerWaalsContact O-CG 3.28Å; L1304-L1308 WeakPolarHBondContact O-CG 3.48Å; L1304-L1308 PolarHBondContact O-N 2.68Å; A1305-L1308 WeakPolarHBondContact O-CB 3.24Å; A1305-L1308 PolarHBondContact O-N 2.68Å; R1306-L1308 VanDerWaalsContact C-N 3.33Å; R1306-L1308 PolarHBondContact O-N 3.28Å; L1308-H1310 VanDerWaalsContact C-N 3.29Å; L1308-H1310 PolarHBondContact O-N 2.91Å; L1308-N1311 PolarHBondContact O-N 3.43Å; L1308-G1312 PolarHBondContact O-N 2.93Å; L1308-V1318 HydrophobicContact CB-CG1 4.38Å; L1308-V1322 HydrophobicContact CD1-CB 4.35Å; L1308-V1322 HydrophobicContact CD1-CG1 3.82Å; L1308-V1322 HydrophobicContact CD1-CG2 4.34Å
1309	C	96.7	Very high	95.3	Very high	17 Å²	17	32.9 Å²	32.9	12%	0.115	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-41	177.1	-71.8	0	0	0	0	112.9	A1305 R1306 V1318 C1337	A1305-C1309 PolarHBondContact O-N 3.1Å; A1305-C1309 PolarHBondContact O-SG 3.28Å; A1305-C1309 VanDerWaalsContact O-SG 3.38Å; R1306-C1309 PolarHBondContact O-N 3.42Å; C1309-V1318 VanDerWaalsContact SG-CG2 3.59Å; C1309-C1337 HydrophobicContact CB-CB 3.67Å; C1309-C1337 WeakPolarHBondContact CB-SG 3.4Å; C1309-C1337 WeakPolarHBondContact SG-CB 3.41Å; C1309-C1337 CovalentContact SG-SG 2.03Å; C1309-C1337 PolarHBondContact SG-SG 3.31Å
1310	H	94.7	Very high	95.1	Very high	59 Å²	59	36.4 Å²	36.4	27%	0.273	18%	0.179	S	C	.	.	H	α-helix	trans	-77.2	-32	-177.8	-75	-46.3	0	0	0	114.1	K967 R1306 V1307 L1308 D1343	K967-H1310 PolarHBondContact NZ-O 3.13Å; R1306-H1310 WeakPolarHBondContact CD-NE2 3.38Å; R1306-H1310 PolarHBondContact O-CD2 3.31Å; R1306-H1310 VanDerWaalsContact O-CD2 3.23Å; R1306-H1310 PolarHBondContact O-N 3.17Å; R1306-H1310 VanDerWaalsContact O-N 3.11Å; V1307-H1310 PolarHBondContact O-N 3.42Å; L1308-H1310 VanDerWaalsContact C-N 3.29Å; L1308-H1310 PolarHBondContact O-N 2.91Å; H1310-D1343 IonicContact CD2-OD2 3.85Å; H1310-D1343 IonicContact NE2-OD2 3.56Å; H1310-D1343 PolarHBondContact NE2-OD2 2.94Å
1311	N	96	Very high	95.1	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-112.6	-11.3	-167.5	-60.6	-68.4	0	0	0	113.9	L1024 R1027 Q1028 V1307 L1308	L1024-N1311 HydrophobicContact CD1-CB 3.49Å; L1024-N1311 VanDerWaalsContact CD1-CB 3.49Å; L1024-N1311 HydrophobicContact CG-CB 4.24Å; R1027-N1311 HydrophobicContact CB-CB 3.9Å; R1027-N1311 WeakPolarHBondContact CB-OD1 3.45Å; R1027-N1311 VanDerWaalsContact CD-O 3.22Å; R1027-N1311 WeakPolarHBondContact CD-O 3.24Å; R1027-N1311 PolarHBondContact NH1-O 3.5Å; R1027-N1311 PolarHBondContact O-OD1 3.06Å; Q1028-N1311 WeakPolarHBondContact CA-OD1 3.41Å; Q1028-N1311 PolarHBondContact N-OD1 3.16Å; Q1028-N1311 PolarHBondContact OE1-ND2 3.31Å; V1307-N1311 WeakPolarHBondContact O-CB 3.39Å; V1307-N1311 PolarHBondContact O-N 3.48Å; V1307-N1311 VanDerWaalsContact O-N 3.11Å; V1307-N1311 PolarHBondContact O-ND2 2.97Å; L1308-N1311 PolarHBondContact O-N 3.43Å
1312	G	94	Very high	95.2	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.148	C	C	.	.	S	Bend	trans	-68.4	151.9	164.5	0	0	0	0	0	111.6	K967 D1149 L1308	K967-G1312 WeakPolarHBondContact CE-O 3.34Å; K967-G1312 PolarHBondContact NZ-O 2.84Å; D1149-G1312 VanDerWaalsContact OD1-CA 3.3Å; D1149-G1312 WeakPolarHBondContact OD1-CA 3.38Å; L1308-G1312 PolarHBondContact O-N 2.93Å
1313	D	89.6	Confident	95.3	Very high	37 Å²	37	29 Å²	29	20%	0.198	15%	0.148	C	C	.	.	S	Bend	trans	-72.2	-45.1	-179.2	-68.6	-58.5	0	0	0	111.3	K967 R1027 D1149	K967-D1313 WeakPolarHBondContact CB-OD1 3.46Å; K967-D1313 WeakPolarHBondContact CG-OD1 3.31Å; K967-D1313 PolarHBondContact N-OD1 3.3Å; R1027-D1313 IonicContact CZ-OD1 3.44Å; R1027-D1313 IonicContact CZ-OD2 2.74Å; R1027-D1313 IonicContact NH1-OD1 3.86Å; R1027-D1313 PolarHBondContact NH1-OD1 3.44Å; R1027-D1313 IonicContact NH1-OD2 3.73Å; R1027-D1313 PolarHBondContact NH1-OD2 3.44Å; R1027-D1313 IonicContact NH2-OD1 3.85Å; R1027-D1313 IonicContact NH2-OD2 2.65Å; R1027-D1313 PolarHBondContact NH2-OD2 2.87Å; D1149-D1313 PolarHBondContact OD1-N 2.9Å; D1149-D1313 PolarHBondContact OD2-N 3Å
1314	E	91	Very high	95.4	Very high	155 Å²	155	29.8 Å²	29.8	72%	0.724	15%	0.153	S	C	*	.	S	Bend	trans	-141.3	34.6	-176.6	-61.7	-178.4	-178.7	0	0	111.6	D1149 R1153 D1316	D1149-E1314 WeakPolarHBondContact OD2-CA 3.47Å; D1149-E1314 PolarHBondContact OD2-N 3.43Å; R1153-E1314 VanDerWaalsContact NH2-C 3.28Å; R1153-E1314 PolarHBondContact NH2-O 3.42Å; E1314-D1316 PolarHBondContact O-N 2.75Å
1315	I	95	Very high	95.3	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.046	16%	0.155	C	C	.	.			trans	-86.7	99.3	173.9	-60.6	179.6	0	0	0	109.3	D1149 L1152 F1156 V1318 C1337	D1149-I1315 PolarHBondContact OD2-N 2.8Å; L1152-I1315 HydrophobicContact CB-CD1 3.91Å; L1152-I1315 HydrophobicContact CD1-CD1 3.8Å; F1156-I1315 HydrophobicContact CE1-CD1 4.37Å; F1156-I1315 HydrophobicContact CE1-CG2 4.48Å; I1315-V1318 HydrophobicContact CG2-CG1 3.38Å; I1315-C1337 PolarHBondContact O-SG 3.02Å
1316	D	94.8	Very high	95.1	Very high	77 Å²	77	33.9 Å²	33.9	41%	0.412	17%	0.173	S	C	.	.			trans	-101.7	-15.2	177.9	69.1	-24.8	0	0	0	113.4	E1314 L1336 C1337	E1314-D1316 PolarHBondContact O-N 2.75Å; D1316-L1336 CarbonylContact O-C 3.47Å; D1316-L1336 WeakPolarHBondContact O-CA 3.43Å; D1316-C1337 PolarHBondContact O-N 2.76Å; D1316-C1337 PolarHBondContact O-SG 2.78Å
1317	R	96.4	Very high	94.9	Very high	70 Å²	70	37.8 Å²	37.8	26%	0.264	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.1	-177.2	-68.3	173.1	-176.4	-82.5	-5.5	111.2	F1122 T1335 L1336	F1122-R1317 HydrophobicContact CE2-CB 4.18Å; F1122-R1317 HydrophobicContact CZ-CB 4.42Å; R1317-T1335 VanDerWaalsContact CA-O 3.28Å; R1317-T1335 WeakPolarHBondContact CA-O 3.45Å; R1317-L1336 HydrophobicContact CG-CD2 3.77Å; R1317-L1336 HydrophobicContact CG-CG 4.44Å
1318	V	96.4	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.6	177.3	-63.4	0	0	0	0	109.7	F1156 A1305 L1308 C1309 I1315 T1335 L1340	F1156-V1318 HydrophobicContact CE1-CG1 4.15Å; F1156-V1318 HydrophobicContact CE2-CG1 4.49Å; F1156-V1318 HydrophobicContact CZ-CG1 3.96Å; A1305-V1318 HydrophobicContact CB-CG2 3.92Å; L1308-V1318 HydrophobicContact CB-CG1 4.38Å; C1309-V1318 VanDerWaalsContact SG-CG2 3.59Å; I1315-V1318 HydrophobicContact CG2-CG1 3.38Å; V1318-T1335 PolarHBondContact N-O 2.95Å; V1318-T1335 WeakPolarHBondContact O-CA 3.37Å; V1318-T1335 WeakPolarHBondContact O-CB 3.38Å; V1318-T1335 PolarHBondContact O-N 3.06Å; V1318-L1340 HydrophobicContact CG2-CD1 3.6Å; V1318-L1340 HydrophobicContact CG2-CG 4.46Å
1319	Q	93.2	Very high	94.5	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	23%	0.228	C	C	.	.			trans	-81.7	148.2	167.1	69.7	-89.1	59.5	0	0	110.1	F1156 A1305 D1321 V1322 V1324 M1326 Y1334	F1156-Q1319 PolarHBondContact O-NE2 3.38Å; A1305-Q1319 WeakPolarHBondContact CB-O 3.25Å; Q1319-D1321 VanDerWaalsContact C-N 3.29Å; Q1319-D1321 WeakPolarHBondContact CG-O 3.31Å; Q1319-D1321 PolarHBondContact O-N 3.17Å; Q1319-V1322 HydrophobicContact CG-CG1 4.27Å; Q1319-V1322 WeakPolarHBondContact O-CG1 3.3Å; Q1319-V1324 PolarHBondContact NE2-O 2.99Å; Q1319-V1324 VanDerWaalsContact NE2-O 3.08Å; Q1319-M1326 HydrophobicContact CB-CG 4.04Å; Q1319-M1326 HydrophobicContact CB-SD 4.28Å; Q1319-M1326 HydrophobicContact CG-CG 4.47Å; Q1319-Y1334 HydrophobicContact CB-CD1 4.22Å
1320	P	92.6	Very high	94.4	Very high	74 Å²	74	46 Å²	46	48%	0.481	24%	0.236	S	C	.	.	S	Bend	trans	-57.8	-38.2	179.4	-27.9	35.8	0	0	0	114.2	L1340	P1320-L1340 HydrophobicContact CB-CD2 4.18Å; P1320-L1340 HydrophobicContact CG-CD2 4.05Å
1321	D	95.6	Very high	94.2	Very high	38 Å²	38	44.9 Å²	44.9	20%	0.203	23%	0.234	C	C	.	.	S	Bend	trans	-114.3	96.3	172.6	-171.3	-16.3	0	0	0	109.8	K1071 Q1319 F1323 V1324	K1071-D1321 WeakPolarHBondContact CE-OD2 3.48Å; K1071-D1321 IonicContact NZ-OD2 3Å; K1071-D1321 PolarHBondContact NZ-OD2 2.75Å; Q1319-D1321 VanDerWaalsContact C-N 3.29Å; Q1319-D1321 WeakPolarHBondContact CG-O 3.31Å; Q1319-D1321 PolarHBondContact O-N 3.17Å; D1321-F1323 PolarHBondContact O-N 2.83Å; D1321-F1323 VanDerWaalsContact O-N 3.11Å; D1321-F1323 WeakPolarHBondContact OD1-CD2 3.34Å; D1321-F1323 PolarHBondContact OD1-N 3.07Å; D1321-V1324 HydrophobicContact CB-CG2 4.17Å; D1321-V1324 PolarHBondContact O-N 3.12Å
1322	V	97.4	Very high	94	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.012	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.9	-173.3	-61.5	0	0	0	0	114.7	S837 M839 F1156 L1304 A1305 L1308 Q1319 V1324	S837-V1322 PolarHBondContact OG-O 2.88Å; M839-V1322 HydrophobicContact CG-CG2 4.03Å; F1156-V1322 HydrophobicContact CB-CB 4Å; F1156-V1322 HydrophobicContact CB-CG1 4.33Å; L1304-V1322 HydrophobicContact CB-CG2 3.76Å; L1304-V1322 HydrophobicContact CD2-CG2 3.67Å; L1304-V1322 HydrophobicContact CG-CG2 3.77Å; A1305-V1322 HydrophobicContact CB-CG1 3.89Å; L1308-V1322 HydrophobicContact CD1-CB 4.35Å; L1308-V1322 HydrophobicContact CD1-CG1 3.82Å; L1308-V1322 HydrophobicContact CD1-CG2 4.34Å; Q1319-V1322 HydrophobicContact CG-CG1 4.27Å; Q1319-V1322 WeakPolarHBondContact O-CG1 3.3Å; V1322-V1324 VanDerWaalsContact C-N 3.35Å
1323	F	98.1	Very high	93.9	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.1	173.7	-56.5	-62.1	0	0	0	112.7	Y836 S837 M839 L840 W843 I1063 H1067 W1068 K1071 L1304 D1321	Y836-F1323 CarbonylContact C-O 3.57Å; Y836-F1323 VanDerWaalsContact CA-O 3.23Å; Y836-F1323 WeakPolarHBondContact CA-O 3.3Å; Y836-F1323 WeakPolarHBondContact CB-O 3.06Å; S837-F1323 PolarHBondContact N-O 3.19Å; S837-F1323 WeakPolarHBondContact OG-CA 3.35Å; S837-F1323 PolarHBondContact OG-O 3.28Å; M839-F1323 HydrophobicContact CB-CD1 4.31Å; M839-F1323 HydrophobicContact CG-CD1 3.98Å; M839-F1323 HydrophobicContact CG-CE1 3.85Å; L840-F1323 HydrophobicContact CD1-CB 4.21Å; L840-F1323 HydrophobicContact CD1-CD1 4.42Å; W843-F1323 HydrophobicContact CB-CE1 3.67Å; W843-F1323 HydrophobicContact CB-CZ 4.26Å; W843-F1323 HydrophobicContact CD2-CE1 4.43Å; W843-F1323 HydrophobicContact CD2-CZ 4.16Å; W843-F1323 AromaticContact CG-CE1 3.92Å; W843-F1323 HydrophobicContact CG-CE1 3.92Å; W843-F1323 HydrophobicContact CG-CZ 4Å; I1063-F1323 HydrophobicContact CG2-CE2 4.04Å; I1063-F1323 HydrophobicContact CG2-CZ 3.94Å; H1067-F1323 HydrophobicContact CB-CD2 4.04Å; H1067-F1323 HydrophobicContact CB-CE2 3.76Å; W1068-F1323 HydrophobicContact CB-CE2 4.05Å; W1068-F1323 HydrophobicContact CB-CZ 4.05Å; W1068-F1323 AromaticContact CD1-CD1 3.91Å; W1068-F1323 AromaticContact CD1-CE1 3.66Å; W1068-F1323 HydrophobicContact CG-CE1 4.48Å; W1068-F1323 HydrophobicContact CG-CZ 4.44Å; K1071-F1323 HydrophobicContact CG-CB 4.4Å; L1304-F1323 HydrophobicContact CD2-CE1 3.98Å; L1304-F1323 HydrophobicContact CD2-CZ 3.73Å; D1321-F1323 PolarHBondContact O-N 2.83Å; D1321-F1323 VanDerWaalsContact O-N 3.11Å; D1321-F1323 WeakPolarHBondContact OD1-CD2 3.34Å; D1321-F1323 PolarHBondContact OD1-N 3.07Å
1324	V	97.2	Very high	94.1	Very high	51 Å²	51	54.8 Å²	54.8	31%	0.309	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-90.4	135.4	178.1	179.1	0	0	0	0	110.2	E835 Q1319 D1321 V1322	E835-V1324 WeakPolarHBondContact O-CA 3.36Å; Q1319-V1324 PolarHBondContact NE2-O 2.99Å; Q1319-V1324 VanDerWaalsContact NE2-O 3.08Å; D1321-V1324 HydrophobicContact CB-CG2 4.17Å; D1321-V1324 PolarHBondContact O-N 3.12Å; V1322-V1324 VanDerWaalsContact C-N 3.35Å
1325	N	95.5	Very high	94.3	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.064	25%	0.252	C	S	.	.			trans	-83.8	119.8	174.5	-174	-1.7	0	0	0	110.4	D833 E835 P1159 N1327	D833-N1325 PolarHBondContact O-ND2 2.56Å; E835-N1325 PolarHBondContact O-N 3.25Å; P1159-N1325 WeakPolarHBondContact CB-ND2 3.46Å; N1325-N1327 PolarHBondContact ND2-OD1 2.71Å; N1325-N1327 PolarHBondContact O-N 2.59Å; N1325-N1327 PolarHBondContact O-ND2 2.75Å; N1325-N1327 WeakPolarHBondContact OD1-CA 3.41Å; N1325-N1327 PolarHBondContact OD1-N 3.47Å
1326	M	92.8	Very high	94.4	Very high	80 Å²	80	51.1 Å²	51.1	39%	0.394	26%	0.262	S	S	.	.			trans	-75.4	-11.9	176.6	-67.3	-58.3	-63.1	0	0	113.2	Q1319 S1328 Y1334	Q1319-M1326 HydrophobicContact CB-CG 4.04Å; Q1319-M1326 HydrophobicContact CB-SD 4.28Å; Q1319-M1326 HydrophobicContact CG-CG 4.47Å; M1326-S1328 PolarHBondContact O-N 3.36Å; M1326-S1328 VanDerWaalsContact O-N 3.17Å; M1326-Y1334 HydrophobicContact CG-CE1 4.26Å
1327	N	91.9	Very high	94.5	Very high	102 Å²	102	48 Å²	48	55%	0.545	25%	0.247	S	C	.	.	S	Bend	trans	51.7	33	-174.2	-59	-74.5	0	0	0	113.1	R834 N1325	R834-N1327 PolarHBondContact O-ND2 3.46Å; R834-N1327 PolarHBondContact O-OD1 3.29Å; N1325-N1327 PolarHBondContact ND2-OD1 2.71Å; N1325-N1327 PolarHBondContact O-N 2.59Å; N1325-N1327 PolarHBondContact O-ND2 2.75Å; N1325-N1327 WeakPolarHBondContact OD1-CA 3.41Å; N1325-N1327 PolarHBondContact OD1-N 3.47Å
1328	S	92.5	Very high	94.3	Very high	36 Å²	36	52.2 Å²	52.2	25%	0.252	27%	0.274	S	S	.	.			trans	-147.6	133.7	-177.3	-178.7	0	0	0	0	109.7	M1326 D1330 Y1334	M1326-S1328 PolarHBondContact O-N 3.36Å; M1326-S1328 VanDerWaalsContact O-N 3.17Å; S1328-D1330 VanDerWaalsContact OG-CB 3.32Å; S1328-D1330 WeakPolarHBondContact OG-CB 3.24Å; S1328-D1330 PolarHBondContact OG-N 3.05Å; S1328-D1330 VanDerWaalsContact OG-N 3.08Å; S1328-Y1334 PolarHBondContact O-OH 3.18Å
1329	F	93.9	Very high	94.2	Very high	102 Å²	102	58.5 Å²	58.5	45%	0.447	30%	0.304	S	S	.	.			trans	-101.4	16.6	167	-62.9	-67.5	0	0	0	111.4	L1116 L1118 F1122 A1157 P1331	L1116-F1329 HydrophobicContact CD1-CE1 4.33Å; L1116-F1329 HydrophobicContact CD1-CZ 4.11Å; L1118-F1329 HydrophobicContact CD1-CD1 3.85Å; L1118-F1329 HydrophobicContact CD1-CE1 3.84Å; F1122-F1329 HydrophobicContact CB-CB 4.45Å; F1122-F1329 VanDerWaalsContact CB-O 3.23Å; F1122-F1329 WeakPolarHBondContact CB-O 3.25Å; A1157-F1329 HydrophobicContact CB-CD1 4.23Å; A1157-F1329 HydrophobicContact CB-CE1 4.11Å; F1329-P1331 WeakPolarHBondContact O-CD 3.32Å
1330	D	93	Very high	94.2	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.283	31%	0.306	S	S	.	.			trans	-79.7	119.5	172	-171.9	-24.2	0	0	0	109.1	S1328 R1332 A1333 Y1334	S1328-D1330 VanDerWaalsContact OG-CB 3.32Å; S1328-D1330 WeakPolarHBondContact OG-CB 3.24Å; S1328-D1330 PolarHBondContact OG-N 3.05Å; S1328-D1330 VanDerWaalsContact OG-N 3.08Å; D1330-R1332 PolarHBondContact O-N 2.95Å; D1330-R1332 VanDerWaalsContact OD1-CB 3.28Å; D1330-R1332 WeakPolarHBondContact OD1-CB 3.37Å; D1330-R1332 WeakPolarHBondContact OD1-CG 3.44Å; D1330-R1332 IonicContact OD1-CZ 2.76Å; D1330-R1332 PolarHBondContact OD1-N 3.19Å; D1330-R1332 IonicContact OD1-NE 2.9Å; D1330-R1332 PolarHBondContact OD1-NE 3.1Å; D1330-R1332 IonicContact OD2-CZ 3.54Å; D1330-R1332 VanDerWaalsContact OD2-CZ 3.23Å; D1330-R1332 IonicContact OD2-NE 2.68Å; D1330-R1332 PolarHBondContact OD2-NE 3.4Å; D1330-R1332 IonicContact OD2-NH2 2.93Å; D1330-R1332 PolarHBondContact OD2-NH2 3.16Å; D1330-A1333 WeakPolarHBondContact O-CB 3.17Å; D1330-A1333 PolarHBondContact O-N 3.26Å; D1330-Y1334 WeakPolarHBondContact O-CD2 3.28Å
1331	P	90.8	Very high	94	Very high	35 Å²	35	60.3 Å²	60.3	23%	0.227	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-54.3	-24.9	177.8	-25.2	33.4	0	0	0	114	S1121 F1122 F1329 A1333 Y1334	S1121-P1331 WeakPolarHBondContact O-CG 3.41Å; F1122-P1331 HydrophobicContact CB-CG 4.34Å; F1122-P1331 HydrophobicContact CD2-CB 4.01Å; F1122-P1331 HydrophobicContact CD2-CG 3.96Å; F1122-P1331 HydrophobicContact CE2-CB 4.48Å; F1329-P1331 WeakPolarHBondContact O-CD 3.32Å; P1331-A1333 PolarHBondContact O-N 3.45Å; P1331-Y1334 PolarHBondContact O-N 2.84Å
1332	R	92.1	Very high	93.4	Very high	208 Å²	208	63.6 Å²	63.6	79%	0.785	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-70.8	-16.1	178.3	-60.5	176.3	-67.3	177.6	1.4	113.5	D1330 Y1334	D1330-R1332 PolarHBondContact O-N 2.95Å; D1330-R1332 VanDerWaalsContact OD1-CB 3.28Å; D1330-R1332 WeakPolarHBondContact OD1-CB 3.37Å; D1330-R1332 WeakPolarHBondContact OD1-CG 3.44Å; D1330-R1332 IonicContact OD1-CZ 2.76Å; D1330-R1332 PolarHBondContact OD1-N 3.19Å; D1330-R1332 IonicContact OD1-NE 2.9Å; D1330-R1332 PolarHBondContact OD1-NE 3.1Å; D1330-R1332 IonicContact OD2-CZ 3.54Å; D1330-R1332 VanDerWaalsContact OD2-CZ 3.23Å; D1330-R1332 IonicContact OD2-NE 2.68Å; D1330-R1332 PolarHBondContact OD2-NE 3.4Å; D1330-R1332 IonicContact OD2-NH2 2.93Å; D1330-R1332 PolarHBondContact OD2-NH2 3.16Å; R1332-Y1334 VanDerWaalsContact C-N 3.26Å
1333	A	92.3	Very high	92.7	Very high	36 Å²	36	65.4 Å²	65.4	30%	0.298	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-79	-11.2	175	0	0	0	0	0	112.9	D1330 P1331	D1330-A1333 WeakPolarHBondContact O-CB 3.17Å; D1330-A1333 PolarHBondContact O-N 3.26Å; P1331-A1333 PolarHBondContact O-N 3.45Å
1334	Y	94.7	Very high	92.2	Very high	7 Å²	7	65.8 Å²	65.8	3%	0.027	35%	0.35	C	S	.	.	S	Bend	trans	-105.4	143.6	-176.5	-62.2	-92.1	0	0	0	111.1	F1122 F1156 A1157 Q1319 M1326 S1328 D1330 P1331 R1332	F1122-Y1334 HydrophobicContact CD1-CD2 4.1Å; F1122-Y1334 HydrophobicContact CD1-CE1 4.48Å; F1122-Y1334 AromaticContact CD1-CE2 3.57Å; F1122-Y1334 HydrophobicContact CD1-CE2 3.57Å; F1122-Y1334 AromaticContact CD1-CZ 3.78Å; F1122-Y1334 HydrophobicContact CD2-CD2 4.49Å; F1122-Y1334 AromaticContact CE1-CD1 3.92Å; F1122-Y1334 HydrophobicContact CE1-CD1 3.92Å; F1122-Y1334 AromaticContact CE1-CD2 3.69Å; F1122-Y1334 HydrophobicContact CE1-CD2 3.69Å; F1122-Y1334 AromaticContact CE1-CE1 3.68Å; F1122-Y1334 HydrophobicContact CE1-CE1 3.68Å; F1122-Y1334 AromaticContact CE1-CE2 3.44Å; F1122-Y1334 HydrophobicContact CE1-CE2 3.44Å; F1122-Y1334 VanDerWaalsContact CE1-CE2 3.44Å; F1122-Y1334 AromaticContact CE1-CG 3.93Å; F1122-Y1334 HydrophobicContact CE1-CG 3.93Å; F1122-Y1334 AromaticContact CE1-CZ 3.42Å; F1122-Y1334 VanDerWaalsContact CE1-CZ 3.42Å; F1122-Y1334 HydrophobicContact CE2-CD2 4.13Å; F1122-Y1334 HydrophobicContact CE2-CG 4.38Å; F1122-Y1334 HydrophobicContact CG-CD2 4.48Å; F1122-Y1334 HydrophobicContact CG-CE2 4.19Å; F1122-Y1334 AromaticContact CZ-CD1 3.96Å; F1122-Y1334 HydrophobicContact CZ-CD1 3.96Å; F1122-Y1334 AromaticContact CZ-CD2 3.71Å; F1122-Y1334 HydrophobicContact CZ-CD2 3.71Å; F1122-Y1334 HydrophobicContact CZ-CE1 4.21Å; F1122-Y1334 AromaticContact CZ-CE2 3.97Å; F1122-Y1334 HydrophobicContact CZ-CE2 3.97Å; F1122-Y1334 AromaticContact CZ-CG 3.71Å; F1122-Y1334 HydrophobicContact CZ-CG 3.71Å; F1156-Y1334 HydrophobicContact CD2-CE1 4.12Å; F1156-Y1334 HydrophobicContact CE2-CD1 4.23Å; F1156-Y1334 HydrophobicContact CE2-CE1 4.07Å; A1157-Y1334 WeakPolarHBondContact CA-OH 2.99Å; A1157-Y1334 HydrophobicContact CB-CE1 4.43Å; A1157-Y1334 WeakPolarHBondContact CB-OH 3.37Å; Q1319-Y1334 HydrophobicContact CB-CD1 4.22Å; M1326-Y1334 HydrophobicContact CG-CE1 4.26Å; S1328-Y1334 PolarHBondContact O-OH 3.18Å; D1330-Y1334 WeakPolarHBondContact O-CD2 3.28Å; P1331-Y1334 PolarHBondContact O-N 2.84Å; R1332-Y1334 VanDerWaalsContact C-N 3.26Å
1335	T	95	Very high	91.9	Very high	38 Å²	38	66.3 Å²	66.3	23%	0.233	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.7	179.9	-55.4	0	0	0	0	110	R1317 V1318 E1339 L1340	R1317-T1335 VanDerWaalsContact CA-O 3.28Å; R1317-T1335 WeakPolarHBondContact CA-O 3.45Å; V1318-T1335 PolarHBondContact N-O 2.95Å; V1318-T1335 WeakPolarHBondContact O-CA 3.37Å; V1318-T1335 WeakPolarHBondContact O-CB 3.38Å; V1318-T1335 PolarHBondContact O-N 3.06Å; T1335-E1339 HydrophobicContact CG2-CB 3.74Å; T1335-L1340 HydrophobicContact CG2-CD2 3.98Å; T1335-L1340 HydrophobicContact CG2-CG 4.32Å
1336	L	96.3	Very high	91.8	Very high	49 Å²	49	66.1 Å²	66.1	26%	0.257	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.2	172.2	-76.9	164.7	0	0	0	109.9	D1316 R1317 D1338 E1339 L1340	D1316-L1336 CarbonylContact O-C 3.47Å; D1316-L1336 WeakPolarHBondContact O-CA 3.43Å; R1317-L1336 HydrophobicContact CG-CD2 3.77Å; R1317-L1336 HydrophobicContact CG-CG 4.44Å; L1336-D1338 PolarHBondContact O-N 2.82Å; L1336-D1338 VanDerWaalsContact O-N 3.11Å; L1336-E1339 HydrophobicContact CB-CB 4.37Å; L1336-E1339 HydrophobicContact CB-CG 3.95Å; L1336-E1339 PolarHBondContact N-OE2 2.89Å; L1336-E1339 WeakPolarHBondContact O-CB 3.25Å; L1336-E1339 PolarHBondContact O-N 3.38Å; L1336-L1340 PolarHBondContact O-N 3.32Å
1337	C	95.9	Very high	91.7	Very high	12 Å²	12	68.9 Å²	68.9	8%	0.081	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.6	178.2	-74.8	0	0	0	0	112.5	R1306 C1309 I1315 D1316 E1339	R1306-C1337 PolarHBondContact NH1-O 2.03Å; R1306-C1337 PolarHBondContact NH2-O 2.98Å; C1309-C1337 HydrophobicContact CB-CB 3.67Å; C1309-C1337 WeakPolarHBondContact CB-SG 3.4Å; C1309-C1337 WeakPolarHBondContact SG-CB 3.41Å; C1309-C1337 CovalentContact SG-SG 2.03Å; C1309-C1337 PolarHBondContact SG-SG 3.31Å; I1315-C1337 PolarHBondContact O-SG 3.02Å; D1316-C1337 PolarHBondContact O-N 2.76Å; D1316-C1337 PolarHBondContact O-SG 2.78Å; C1337-E1339 VanDerWaalsContact C-N 3.31Å; C1337-E1339 PolarHBondContact O-N 3.35Å
1338	D	93.4	Very high	91.7	Very high	159 Å²	159	67.6 Å²	67.6	85%	0.85	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.5	177.5	-63.4	-23.3	0	0	0	113.5	L1336	L1336-D1338 PolarHBondContact O-N 2.82Å; L1336-D1338 VanDerWaalsContact O-N 3.11Å
1339	E	94.6	Very high	91.8	Very high	131 Å²	131	66.2 Å²	66.2	61%	0.612	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-15	178.5	-65.4	172.8	169.1	0	0	112.8	T1335 L1336 C1337	T1335-E1339 HydrophobicContact CG2-CB 3.74Å; L1336-E1339 HydrophobicContact CB-CB 4.37Å; L1336-E1339 HydrophobicContact CB-CG 3.95Å; L1336-E1339 PolarHBondContact N-OE2 2.89Å; L1336-E1339 WeakPolarHBondContact O-CB 3.25Å; L1336-E1339 PolarHBondContact O-N 3.38Å; C1337-E1339 VanDerWaalsContact C-N 3.31Å; C1337-E1339 PolarHBondContact O-N 3.35Å
1340	L	92.6	Very high	91.6	Very high	11 Å²	11	66.1 Å²	66.1	6%	0.058	34%	0.341	C	S	.	.	S	Bend	trans	-63.7	153.1	171.7	-70.6	-179.9	0	0	0	110.3	A1305 R1306 V1318 P1320 T1335 L1336	A1305-L1340 HydrophobicContact CB-CD1 4.03Å; R1306-L1340 PolarHBondContact NH2-O 3.3Å; V1318-L1340 HydrophobicContact CG2-CD1 3.6Å; V1318-L1340 HydrophobicContact CG2-CG 4.46Å; P1320-L1340 HydrophobicContact CB-CD2 4.18Å; P1320-L1340 HydrophobicContact CG-CD2 4.05Å; T1335-L1340 HydrophobicContact CG2-CD2 3.98Å; T1335-L1340 HydrophobicContact CG2-CG 4.32Å; L1336-L1340 PolarHBondContact O-N 3.32Å
1341	P	88.9	Confident	91.2	Very high	103 Å²	103	68.6 Å²	68.6	67%	0.669	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-52	142.2	174	-26.4	34.7	0	0	0	112	R1306	R1306-P1341 PolarHBondContact NE-O 2.83Å; R1306-P1341 PolarHBondContact NH2-O 3.3Å
1342	P	83.4	Confident	90.2	Very high	108 Å²	108	70.3 Å²	70.3	70%	0.701	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-50.7	146.7	-175.5	-27.7	34	0	0	0	113.5
1343	D	82.1	Confident	88.4	Confident	40 Å²	40	63.9 Å²	63.9	21%	0.214	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-58	156.5	170.7	-160.6	18.3	0	0	0	110	R1031 R1306 H1310	R1031-D1343 IonicContact CZ-OD2 3.46Å; R1031-D1343 IonicContact NH1-OD2 3.6Å; R1031-D1343 PolarHBondContact NH1-OD2 3.27Å; R1031-D1343 IonicContact NH2-OD2 3.81Å; R1031-D1343 PolarHBondContact NH2-OD2 2.78Å; R1306-D1343 HydrophobicContact CG-CB 4.19Å; H1310-D1343 IonicContact CD2-OD2 3.85Å; H1310-D1343 IonicContact NE2-OD2 3.56Å; H1310-D1343 PolarHBondContact NE2-OD2 2.94Å
1344	F	87.6	Confident	86.3	Confident	8 Å²	8	71.9 Å²	71.9	4%	0.035	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-67.7	147.4	179.8	78.7	-82.9	0	0	0	111.6	L1032 I1055 E1298 K1301 L1346 W1349	L1032-F1344 HydrophobicContact CD1-CZ 4.26Å; L1032-F1344 HydrophobicContact CD2-CE1 3.9Å; L1032-F1344 HydrophobicContact CD2-CZ 3.56Å; I1055-F1344 HydrophobicContact CG2-CE2 4.08Å; I1055-F1344 HydrophobicContact CG2-CZ 3.71Å; E1298-F1344 HydrophobicContact CB-CB 3.96Å; E1298-F1344 HydrophobicContact CB-CD2 4.11Å; E1298-F1344 WeakPolarHBondContact O-CB 3.15Å; E1298-F1344 WeakPolarHBondContact OE2-CA 3.45Å; K1301-F1344 HydrophobicContact CB-CB 4.41Å; F1344-L1346 HydrophobicContact CD2-CD2 4.44Å; F1344-L1346 HydrophobicContact CE2-CD2 3.48Å; F1344-L1346 VanDerWaalsContact CE2-CD2 3.48Å; F1344-L1346 HydrophobicContact CE2-CG 3.99Å; F1344-L1346 HydrophobicContact CZ-CD2 3.97Å; F1344-L1346 HydrophobicContact CZ-CG 4.36Å; F1344-L1346 PolarHBondContact O-N 3.01Å; F1344-W1349 HydrophobicContact CD2-CZ3 4.39Å; F1344-W1349 HydrophobicContact CE2-CZ3 4.41Å
1345	N	90.7	Very high	84	Confident	62 Å²	62	79.4 Å²	79.4	33%	0.332	42%	0.422	S	S	.	.			trans	-93.6	103.9	-169.3	-175.4	4.3	0	0	0	112.7	E1298 K1347 M1348	E1298-N1345 HydrophobicContact CG-CB 4.38Å; E1298-N1345 PolarHBondContact OE2-N 2.8Å; N1345-K1347 PolarHBondContact O-N 3.1Å; N1345-K1347 VanDerWaalsContact O-N 3.07Å; N1345-K1347 VanDerWaalsContact OD1-CB 3.24Å; N1345-K1347 WeakPolarHBondContact OD1-CB 3.36Å; N1345-K1347 VanDerWaalsContact OD1-CG 3.29Å; N1345-K1347 WeakPolarHBondContact OD1-CG 3.23Å; N1345-K1347 PolarHBondContact OD1-N 3.39Å; N1345-M1348 PolarHBondContact O-N 3.22Å
1346	L	92.9	Very high	81.3	Confident	9 Å²	9	80.3 Å²	80.3	5%	0.047	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-63.4	-10.3	176.6	-74.2	174.9	0	0	0	115	L1032 Q1035 M1036 V1039 I1055 F1344 M1348 W1349	L1032-L1346 HydrophobicContact CD2-CD1 3.96Å; Q1035-L1346 HydrophobicContact CB-CD1 3.44Å; Q1035-L1346 VanDerWaalsContact CB-CD1 3.44Å; Q1035-L1346 HydrophobicContact CG-CD1 4.43Å; M1036-L1346 HydrophobicContact CE-CD2 3.74Å; V1039-L1346 HydrophobicContact CG2-CB 4.38Å; I1055-L1346 HydrophobicContact CD1-CD2 3.85Å; F1344-L1346 HydrophobicContact CD2-CD2 4.44Å; F1344-L1346 HydrophobicContact CE2-CD2 3.48Å; F1344-L1346 VanDerWaalsContact CE2-CD2 3.48Å; F1344-L1346 HydrophobicContact CE2-CG 3.99Å; F1344-L1346 HydrophobicContact CZ-CD2 3.97Å; F1344-L1346 HydrophobicContact CZ-CG 4.36Å; F1344-L1346 PolarHBondContact O-N 3.01Å; L1346-M1348 PolarHBondContact O-N 3.08Å; L1346-M1348 VanDerWaalsContact O-N 3.15Å; L1346-W1349 HydrophobicContact CD2-CE3 4.29Å; L1346-W1349 WeakPolarHBondContact O-CB 3.33Å; L1346-W1349 PolarHBondContact O-N 3.18Å
1347	K	90.4	Very high	78.7	Confident	138 Å²	138	79.9 Å²	79.9	60%	0.6	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-59.6	-22.6	171.4	-67.3	-178.5	178	-178.5	0	112.6	N1345 W1349 Q1350	N1345-K1347 PolarHBondContact O-N 3.1Å; N1345-K1347 VanDerWaalsContact O-N 3.07Å; N1345-K1347 VanDerWaalsContact OD1-CB 3.24Å; N1345-K1347 WeakPolarHBondContact OD1-CB 3.36Å; N1345-K1347 VanDerWaalsContact OD1-CG 3.29Å; N1345-K1347 WeakPolarHBondContact OD1-CG 3.23Å; N1345-K1347 PolarHBondContact OD1-N 3.39Å; K1347-W1349 PolarHBondContact O-N 3.49Å; K1347-Q1350 WeakPolarHBondContact O-CB 3.5Å; K1347-Q1350 PolarHBondContact O-N 3.02Å
1348	M	93	Very high	75.7	Confident	75 Å²	75	84.3 Å²	84.3	37%	0.369	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-69.6	-7.3	173.8	-57.2	-54.4	154.1	0	0	113.5	E1294 Q1295 E1298 N1345 L1346	E1294-M1348 HydrophobicContact CB-CB 4.42Å; E1294-M1348 HydrophobicContact CB-CG 4.23Å; E1294-M1348 HydrophobicContact CB-SD 3.98Å; Q1295-M1348 HydrophobicContact CG-CB 4.09Å; Q1295-M1348 VanDerWaalsContact CG-O 3.24Å; Q1295-M1348 WeakPolarHBondContact CG-O 3.33Å; Q1295-M1348 PolarHBondContact NE2-O 3.28Å; E1298-M1348 HydrophobicContact CG-CB 4.25Å; E1298-M1348 HydrophobicContact CG-CG 3.64Å; N1345-M1348 PolarHBondContact O-N 3.22Å; L1346-M1348 PolarHBondContact O-N 3.08Å; L1346-M1348 VanDerWaalsContact O-N 3.15Å
1349	W	93.3	Very high	72.7	Confident	6 Å²	6	82.4 Å²	82.4	2%	0.023	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-99.6	1.7	169.8	-82.6	-106	0	0	0	113.1	M1036 N1040 I1055 F1291 Q1295 E1298 I1299 F1344 L1346 K1347 Q1351	M1036-W1349 HydrophobicContact CE-CB 3.83Å; M1036-W1349 HydrophobicContact CE-CG 3.8Å; M1036-W1349 HydrophobicContact SD-CB 3.77Å; M1036-W1349 HydrophobicContact SD-CG 4.37Å; N1040-W1349 PolarHBondContact ND2-O 3.47Å; I1055-W1349 HydrophobicContact CD1-CD2 4.21Å; I1055-W1349 HydrophobicContact CD1-CG 4.5Å; I1055-W1349 HydrophobicContact CD1-CZ2 4.04Å; I1055-W1349 HydrophobicContact CG1-CZ2 3.81Å; F1291-W1349 AromaticContact CD1-CZ2 3.6Å; F1291-W1349 HydrophobicContact CD1-CZ2 3.6Å; F1291-W1349 AromaticContact CE1-CZ2 3.67Å; F1291-W1349 HydrophobicContact CE1-CZ2 3.67Å; Q1295-W1349 HydrophobicContact CB-CD2 4.45Å; Q1295-W1349 HydrophobicContact CB-CE3 4.31Å; Q1295-W1349 HydrophobicContact CB-CH2 3.41Å; Q1295-W1349 VanDerWaalsContact CB-CH2 3.41Å; Q1295-W1349 HydrophobicContact CB-CZ2 3.59Å; Q1295-W1349 HydrophobicContact CB-CZ3 3.8Å; Q1295-W1349 HydrophobicContact CG-CD2 3.77Å; Q1295-W1349 HydrophobicContact CG-CE3 3.77Å; Q1295-W1349 HydrophobicContact CG-CH2 3.79Å; Q1295-W1349 HydrophobicContact CG-CZ2 3.81Å; Q1295-W1349 HydrophobicContact CG-CZ3 3.77Å; Q1295-W1349 WeakPolarHBondContact O-CH2 3.25Å; E1298-W1349 HydrophobicContact CB-CZ3 4.14Å; I1299-W1349 HydrophobicContact CD1-CH2 3.98Å; I1299-W1349 HydrophobicContact CD1-CZ2 3.99Å; I1299-W1349 HydrophobicContact CG1-CH2 3.93Å; I1299-W1349 HydrophobicContact CG1-CZ2 4.35Å; F1344-W1349 HydrophobicContact CD2-CZ3 4.39Å; F1344-W1349 HydrophobicContact CE2-CZ3 4.41Å; L1346-W1349 HydrophobicContact CD2-CE3 4.29Å; L1346-W1349 WeakPolarHBondContact O-CB 3.33Å; L1346-W1349 PolarHBondContact O-N 3.18Å; K1347-W1349 PolarHBondContact O-N 3.49Å; W1349-Q1351 PolarHBondContact O-N 2.73Å
1350	Q	91.6	Very high	69.5	Low	100 Å²	100	83.8 Å²	83.8	47%	0.467	47%	0.473	S	S	.	.			trans	-63.8	123.9	179.9	-171	174.8	9.5	0	0	110.6	V1039 N1040 K1347	V1039-Q1350 HydrophobicContact CG1-CB 3.69Å; V1039-Q1350 HydrophobicContact CG1-CG 4.11Å; N1040-Q1350 WeakPolarHBondContact OD1-CA 3.33Å; K1347-Q1350 WeakPolarHBondContact O-CB 3.5Å; K1347-Q1350 PolarHBondContact O-N 3.02Å
1351	Q	83.5	Confident	66.5	Low	106 Å²	106	90.9 Å²	90.9	50%	0.495	51%	0.51	S	S	.	.			trans	-105.2	124.1	173.4	-172.6	174.8	-4.2	0	0	109.7	N1040 H1042 W1043 W1349	N1040-Q1351 PolarHBondContact OD1-N 2.57Å; H1042-Q1351 PolarHBondContact CE1-O 2.82Å; H1042-Q1351 VanDerWaalsContact CE1-O 3.22Å; W1043-Q1351 HydrophobicContact CZ2-CB 4.23Å; W1349-Q1351 PolarHBondContact O-N 2.73Å
1352	C	69.5	Low	63.5	Low	70 Å²	70	95.1 Å²	95.1	47%	0.473	52%	0.518	S	S	.	.			trans	-86.9	130.3	179.1	-54.7	0	0	0	0	110.6	C1357	C1352-C1357 WeakPolarHBondContact CA-SG 3.39Å; C1352-C1357 HydrophobicContact CB-CB 3.73Å; C1352-C1357 WeakPolarHBondContact CB-SG 3.3Å; C1352-C1357 WeakPolarHBondContact SG-CB 3.48Å; C1352-C1357 CovalentContact SG-SG 2Å; C1352-C1357 PolarHBondContact SG-SG 3Å
1353	C	55.4	Low	60.9	Low	74 Å²	74	99.1 Å²	99.1	50%	0.5	53%	0.525	S	S	.	.			trans	-70.1	161.7	167.7	-58.1	0	0	0	0	110.5	D1355 G1356	C1353-D1355 PolarHBondContact O-N 2.83Å; C1353-G1356 PolarHBondContact O-N 2.77Å
1354	E	47.4	Very low	58.3	Low	203 Å²	203	106 Å²	106	95%	0.949	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-15.6	-177.9	-69	-177.3	159.8	0	0	114.1	G1356	E1354-G1356 VanDerWaalsContact C-N 3.29Å; E1354-G1356 PolarHBondContact O-N 3.43Å
1355	D	45.8	Very low	55.7	Low	166 Å²	166	113.9 Å²	113.9	89%	0.888	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	9	173.8	-64.1	-33.7	0	0	0	114.7	C1353	C1353-D1355 PolarHBondContact O-N 2.83Å
1356	G	39.2	Very low	52.9	Low	57 Å²	57	119.8 Å²	119.8	59%	0.588	62%	0.618	S	S	*	*			trans	88.1	127.1	170.7	0	0	0	0	0	114.7	C1353 E1354 S1358	C1353-G1356 PolarHBondContact O-N 2.77Å; E1354-G1356 VanDerWaalsContact C-N 3.29Å; E1354-G1356 PolarHBondContact O-N 3.43Å; G1356-S1358 PolarHBondContact O-N 3.4Å
1357	C	42.5	Very low	50	Low	40 Å²	40	122.7 Å²	122.7	27%	0.27	65%	0.65	S	S	.	*			trans	-74.4	112.6	153.8	-74.6	0	0	0	0	107	C1352 P1359	C1352-C1357 WeakPolarHBondContact CA-SG 3.39Å; C1352-C1357 HydrophobicContact CB-CB 3.73Å; C1352-C1357 WeakPolarHBondContact CB-SG 3.3Å; C1352-C1357 WeakPolarHBondContact SG-CB 3.48Å; C1352-C1357 CovalentContact SG-SG 2Å; C1352-C1357 PolarHBondContact SG-SG 3Å; C1357-P1359 WeakPolarHBondContact O-CD 3.25Å; C1357-P1359 VanDerWaalsContact O-N 3.12Å
1358	S	32.1	Very low	47.1	Very low	105 Å²	105	124 Å²	124	73%	0.734	66%	0.664	S	S	*	*			trans	-68	109.5	170.7	-152.9	0	0	0	0	108.8	G1356 Q1360	G1356-S1358 PolarHBondContact O-N 3.4Å; S1358-Q1360 PolarHBondContact O-N 3.3Å; S1358-Q1360 VanDerWaalsContact O-N 3.15Å
1359	P	30.2	Very low	44.2	Very low	118 Å²	118	127.4 Å²	127.4	77%	0.766	69%	0.688	S	S	*	*			trans	-91	61.9	178.1	21.7	-1.3	0	0	0	107.7	C1357	C1357-P1359 WeakPolarHBondContact O-CD 3.25Å; C1357-P1359 VanDerWaalsContact O-N 3.12Å
1360	Q	27.9	Very low	41.3	Very low	161 Å²	161	135.8 Å²	135.8	75%	0.752	73%	0.728	S	S	*	*			trans	-147.7	70.5	-178.3	-67.8	-171.3	-3	0	0	111.6	S1358	S1358-Q1360 PolarHBondContact O-N 3.3Å; S1358-Q1360 VanDerWaalsContact O-N 3.15Å
1361	L	29	Very low	38.6	Very low	159 Å²	159	139.6 Å²	139.6	83%	0.832	75%	0.745	S	S	*	*			trans	-128.2	77.7	143	-86.8	164.2	0	0	0	105.5	F1363	L1361-F1363 PolarHBondContact O-N 2.85Å
1362	K	26.5	Very low	36.2	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.835	77%	0.769	S	S	*	*			trans	-55.7	114.6	148	-81	-176.6	174.4	-177	0	104.5	E1364	K1362-E1364 VanDerWaalsContact C-N 3.27Å; K1362-E1364 PolarHBondContact O-N 2.82Å
1363	F	28.2	Very low	34.6	Very low	193 Å²	193	145 Å²	145	85%	0.846	78%	0.777	S	S	*	*			trans	-61.6	104.9	155.5	-92.7	-94.6	0	0	0	105.2	L1361 E1365	L1361-F1363 PolarHBondContact O-N 2.85Å; F1363-E1365 VanDerWaalsContact C-N 3.26Å; F1363-E1365 PolarHBondContact O-N 3.5Å
1364	E	28	Very low	33.8	Very low	183 Å²	183	148.9 Å²	148.9	86%	0.855	79%	0.793	S	S	*	*			trans	-63.2	93.6	161.8	-71.1	176.4	162.5	0	0	106.8	K1362	K1362-E1364 VanDerWaalsContact C-N 3.27Å; K1362-E1364 PolarHBondContact O-N 2.82Å
1365	E	31.6	Very low	33.4	Very low	174 Å²	174	143.8 Å²	143.8	81%	0.813	78%	0.778	S	S	*	*			trans	-87.7	141.8	144.9	-77.3	-176.3	155.7	0	0	106.9	F1363	F1363-E1365 VanDerWaalsContact C-N 3.26Å; F1363-E1365 PolarHBondContact O-N 3.5Å
1366	E	32.2	Very low	33.1	Very low	187 Å²	187	144.2 Å²	144.2	87%	0.874	77%	0.774	S	S	*	*			trans	81.4	93.1	-177.6	-50.8	-179.7	175.4	0	0	113
1367	G	32.3	Very low	33.1	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	78%	0.778	S	S	*	*				77.8	80.7	54	0	0	0	0	0	109.3	V1369	G1367-V1369 PolarHBondContact O-N 2.87Å
1368	N	30.7	Very low	32.8	Very low	166 Å²	166	151.7 Å²	151.7	89%	0.888	81%	0.806	S	S	*	*			trans	-4.6	110.7	168.2	-68.2	-16.3	0	0	0	116.8
1369	V	30.9	Very low	33.1	Very low	146 Å²	146	162.1 Å²	162.1	89%	0.885	83%	0.829	S	S	*	*			trans	-123.8	84.9	150.8	-176	0	0	0	0	107.1	G1367	G1367-V1369 PolarHBondContact O-N 2.87Å
1370	E	33.5	Very low	33.3	Very low	181 Å²	181	164.4 Å²	164.4	85%	0.846	83%	0.832	S	S	*	*			trans	-107.5	149.7	155.6	-80.3	-167.8	158.1	0	0	108.4
1371	E	34.4	Very low	33.5	Very low	180 Å²	180	164.5 Å²	164.5	84%	0.841	84%	0.836	S	S	*	*			trans	89.9	80.2	171.1	-59.6	-170.1	147.2	0	0	118.1	G1373	E1371-G1373 PolarHBondContact O-N 3.44Å
1372	F	33.7	Very low	33.8	Very low	227 Å²	227	164.8 Å²	164.8	100%	0.996	84%	0.837	S	S	*	*			trans	-64	105.1	130.4	-93.7	-90.2	0	0	0	109.1
1373	G	35.6	Very low	34.2	Very low	62 Å²	62	163.2 Å²	163.2	64%	0.639	84%	0.837	S	S	*	*			trans	175.4	55.9	176.9	0	0	0	0	0	115.4	E1371	E1371-G1373 PolarHBondContact O-N 3.44Å
1374	N	37.6	Very low	34.6	Very low	157 Å²	157	161.4 Å²	161.4	84%	0.84	84%	0.836	S	S	*	*			trans	28.2	154.5	144.9	-143.7	31.9	0	0	0	121.1
1375	P	39.6	Very low	35	Very low	96 Å²	96	159.9 Å²	159.9	62%	0.623	84%	0.835	S	S	*	*				-122.1	-172.3	-68.2	35.6	-17.6	0	0	0	111.9
1376	E	38.7	Very low	35.3	Very low	175 Å²	175	158.9 Å²	158.9	82%	0.818	84%	0.836	S	S	*	*			trans	112.5	99	160.8	-61	-168.5	160.7	0	0	118.6
1377	S	39.8	Very low	35.5	Very low	96 Å²	96	156.8 Å²	156.8	67%	0.671	83%	0.833	S	S	*	*				78.6	114.6	126	78.6	0	0	0	0	121.2
1378	N	36.8	Very low	35.8	Very low	157 Å²	157	164 Å²	164	84%	0.84	84%	0.843	S	S	*	*				63.2	98.6	128.4	-64.3	-19.2	0	0	0	120
1379	R	38.3	Very low	36.3	Very low	325 Å²	325	163.8 Å²	163.8	100%	1.226	84%	0.839	S	S	*	*				-172.3	0	95.9	-118.2	-177.8	-174.1	178.1	3.1	112.2

Retrieved 1,379 of 1,379 residues in 3227.7 ms (Link to these results)

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