SYTL2_MOUSE Loading...

Isoform 2 of Synaptotagmin-like protein 2 AlphaSync

Canonical isoform description: Isoform 11 acts as a RAB27A effector protein and plays a role in cytotoxic granule exocytosis in lymphocytes. Required for cytotoxic granule docking at the immunologic synapse. Isoform 1 may play a role in melanosome transport and vesicle trafficking. It controls melanosome distribution in the cell periphery and regulates melanocyte morphology. Isoform 1 acts as a positive mediator of mucus secretion by the surface mucus cells of the stomach. Mediates basal mucus secretion by gastric surface cells by promoting the proper granule biognesis and docking of mucus granules with the apical plasma membrane.

AlphaFold DB , UniProt , Accession Q99N50-2 (canonical: Q99N50), Species MOUSE (Mus musculus, Mouse), Gene Sytl2, Length 1,142 aa.

						>SYTL2_MOUSE|Q99N50-2|Sytl2
MEKLNFKCMPQEPPDETIFPQKTLSIEPSKENEGKNTEYFGTQVIKKACSEQEIQESIVKTSILPKVSKDTFNDRLQKLLAEATLPASQTSGKEVHEQQALKVGVSENGKSFAKDEEEVTGLRESPKEPQRRNQQDCSVDKLLKESTRTPLSPLQSPLEAVTTRPISPLKDDLLFEKWMKENHSPSADQREITAPFPQGVGILAGADLIQKGKHCNTEAMLQLAAEGSPPLAQLPHSFDGVSSSPADMSLSWDAQLPSENGTLPSQKEISEAIEKVVLPSKPAATDVNAVLQKLLREAGEVDAKLPEREQTAGTPSCPQRVSPLWPAPDPVVPNKDFHSFCTVPDTTHEGRSHLSARMSPSAHATMSPTSTVTQYGQRLLQEVAETVRETVIQPKSQYPEFRAGLEKLLKETLQTSLSKDKKDTMTISPSALTGSCEMSHQLSSEFHLTEIQETVEKAEAPSVTESSFDVGLEKLLKEMSEGPCQLQASGRRDTLEKQPSQVEQAGFMGEIPHHILDGPGASKMKVSCSGLESQISQCDKQLGGDEAVTGPLIDVQDNKSGFEVPECSQLHEDHKIETNGTIQFVEDKGREKVITGETQASQEPGFEEAPKEMSVSRNKHSIVLLETKGKAIKTREVKLVLATPYKRQEEEQGPEACSEYEFSDGNTSSNRENGRNTSSSEEEHSPVLKTLERRAARKLPSKSLEDIPSDSSNQAKVDNLPEELVRSAEDDQKADQEPDTNECIPGISTVPSLPDNQFSHPDKLKRMSKSVPAFLQDESDDRETDTASESSYQLRRYKKSPSSLTNLSSSSGMTSLSSASGSVMSVYSGDFGNLEVKGSVQFALDYVESLKELHVFVAQCKDLAAADVKKQRSDPYVKTYLLPDKGKMGKKKTLVVKKTLNPVYNEILRYKIERQFLKTQKLNLSVWHRDTFKRNSFLGEVELDLETWDWDSKQNKQLKWYPLKRKTAPVALETENRGEMKLALQYVPEPSPGKKLPTTGEVHIWVKECLDLPLLRGSHLNSFVKCTILPDTSRKSRQKTRAVGKTTNPVFNHTMVYDGFRPEDLMEACVELTVWDHYKLTNQFLGGLRIGFGTGKSYGTEVDWMDSTSEEVALWEKMVNSPNTWVEATLPLRMLLIAKLSK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	37.7	Very low	235 Å²	235	154.4 Å²	154.4	100%	1.158	77%	0.772	S	S	*	*				0	129.3	0	-72.9	149.6	168.5	0	0	106.9
2	E	39.8	Very low	37.5	Very low	164 Å²	164	154.8 Å²	154.8	77%	0.766	77%	0.769	S	S	*	*			cis	-146.2	133.1	-17.1	-81.7	-156.1	109.2	0	0	106.2
3	K	41.1	Very low	37.7	Very low	172 Å²	172	151.8 Å²	151.8	75%	0.748	77%	0.768	S	S	*	*				60.4	125.6	80.5	-82.5	-173.2	177.1	-178.3	0	112.2
4	L	40.6	Very low	38	Very low	129 Å²	129	149.1 Å²	149.1	68%	0.675	77%	0.766	S	S	*	*			cis	-144.9	152.6	4.2	-82.8	149.3	0	0	0	108.6	F6	L4-F6 HydrophobicContact CD2-CE2 4.26Å
5	N	40.8	Very low	38	Very low	108 Å²	108	149.5 Å²	149.5	58%	0.578	77%	0.771	S	S	*	*				67.4	135.7	61	-134.3	1.8	0	0	0	111.8
6	F	40.1	Very low	37.9	Very low	159 Å²	159	150.4 Å²	150.4	70%	0.697	77%	0.77	S	S	*	*			cis	-141.2	161	20.7	-70.8	-99.6	0	0	0	109.4	L4	L4-F6 HydrophobicContact CD2-CE2 4.26Å
7	K	36.3	Very low	37.7	Very low	175 Å²	175	149 Å²	149	76%	0.761	77%	0.77	S	S	*	*			cis	79.1	104.9	35.2	-176.7	-171.1	176.6	-179.3	0	115.9
8	C	34.1	Very low	37.7	Very low	116 Å²	116	149.7 Å²	149.7	78%	0.784	77%	0.774	S	S	*	*				-174.3	160.7	115	-135.5	0	0	0	0	114.5
9	M	31.1	Very low	37.4	Very low	158 Å²	158	152.1 Å²	152.1	78%	0.778	78%	0.778	S	S	*	*			trans	-109.9	170.9	162.9	-66.8	-112.6	66.3	0	0	109.2
10	P	38.2	Very low	37.4	Very low	123 Å²	123	149.5 Å²	149.5	80%	0.799	77%	0.771	S	S	*	*				-142.7	-174.9	99.8	37.5	-21.6	0	0	0	114.9
11	Q	35	Very low	37.3	Very low	159 Å²	159	150.8 Å²	150.8	74%	0.743	77%	0.774	S	S	*	*			trans	-102	156.8	-170	-69.4	161.1	-118.2	0	0	114.8
12	E	35.6	Very low	37.1	Very low	159 Å²	159	146.5 Å²	146.5	74%	0.743	75%	0.749	S	S	*	*			trans	57.9	166.3	141.8	-74.5	170.2	109.6	0	0	121
13	P	39.6	Very low	36.8	Very low	116 Å²	116	142.1 Å²	142.1	75%	0.753	73%	0.734	S	S	*	*			cis	-114.7	177.1	-15.7	13.4	11.3	0	0	0	112.6
14	P	42.3	Very low	36.5	Very low	114 Å²	114	138.2 Å²	138.2	74%	0.74	72%	0.72	S	S	*	*			trans	-94.8	161.8	-176.1	37.7	-35.4	0	0	0	114.3
15	D	37.4	Very low	36	Very low	156 Å²	156	136.7 Å²	136.7	83%	0.834	72%	0.721	S	S	*	*				-161.9	155.8	128.8	-113.1	-24.2	0	0	0	115.9
16	E	36.2	Very low	35.7	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.762	73%	0.734	S	S	*	*			trans	28.1	107.1	159.7	-57.2	-151.5	142.9	0	0	124.4
17	T	35	Very low	35.4	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	74%	0.738	S	S	*	*				81.4	153.2	120.3	-46	0	0	0	0	121.2
18	I	38.2	Very low	35.7	Very low	161 Å²	161	136.2 Å²	136.2	83%	0.826	73%	0.732	S	S	*	*			trans	99.3	114.6	166.9	-51.3	-177.2	0	0	0	117.7
19	F	31.6	Very low	35.8	Very low	195 Å²	195	135.3 Å²	135.3	86%	0.855	73%	0.727	S	S	*	*			trans	-86.3	179.3	168.2	-83.1	-86.3	0	0	0	111.7
20	P	37.3	Very low	36.1	Very low	100 Å²	100	135.4 Å²	135.4	65%	0.649	72%	0.723	S	S	*	*			cis	-137.4	-167.8	-21.6	25.6	-0.1	0	0	0	114.7
21	Q	35.6	Very low	36	Very low	178 Å²	178	135.8 Å²	135.8	83%	0.832	71%	0.714	S	S	*	*			trans	103.8	123.8	149.1	-52.2	-166.9	-99.2	0	0	121.2
22	K	32.5	Very low	36	Very low	144 Å²	144	134 Å²	134	63%	0.626	71%	0.71	S	S	*	*				18.7	145	127.3	-92.5	-154.2	164.7	-149.2	0	119.4
23	T	33.5	Very low	36	Very low	73 Å²	73	132.7 Å²	132.7	45%	0.448	70%	0.703	S	S	.	*			cis	-165	161	20.8	-15.6	0	0	0	0	117.3	D777	T23-D777 WeakPolarHBondContact CB-OD2 3.38Å; T23-D777 WeakPolarHBondContact CG2-OD2 3.38Å; T23-D777 PolarHBondContact OG1-OD2 3.31Å
24	L	35.5	Very low	35.8	Very low	89 Å²	89	130.4 Å²	130.4	47%	0.466	70%	0.701	S	S	.	*			trans	60	131.2	136.7	-99.1	167.6	0	0	0	126.9	D777 E778 S779	L24-D777 WeakPolarHBondContact CD1-OD1 3.31Å; L24-E778 WeakPolarHBondContact CD1-O 3.1Å; L24-S779 WeakPolarHBondContact CD1-OG 3.2Å
25	S	29.5	Very low	35.6	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	70%	0.697	S	S	*	*			trans	82	135.3	130.6	-127	0	0	0	0	124.3
26	I	35.7	Very low	35.5	Very low	166 Å²	166	131.6 Å²	131.6	85%	0.851	69%	0.694	S	S	*	*				-176.6	135.3	123.1	-93.2	152.6	0	0	0	110.2
27	E	34.2	Very low	35.3	Very low	168 Å²	168	130.3 Å²	130.3	79%	0.785	70%	0.697	S	S	*	*			trans	-126.7	164.9	165.8	-162.6	-140.2	-117.2	0	0	108.3	S29	E27-S29 PolarHBondContact OE2-N 2.72Å
28	P	41	Very low	35.3	Very low	99 Å²	99	132.4 Å²	132.4	64%	0.643	70%	0.698	S	S	*	*				-159.8	159.4	123.9	38.1	-19.1	0	0	0	119.7
29	S	36.1	Very low	34.9	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	70%	0.695	S	S	*	*			trans	77.1	155.7	136.3	72.8	0	0	0	0	119.7	E27	E27-S29 PolarHBondContact OE2-N 2.72Å
30	K	38.8	Very low	35	Very low	161 Å²	161	133.6 Å²	133.6	70%	0.7	69%	0.694	S	S	*	*			cis	-169	175.6	3.8	-123	173.3	-178.8	-84.5	0	106.4
31	E	35.6	Very low	34.7	Very low	130 Å²	130	132.3 Å²	132.3	61%	0.607	70%	0.698	S	S	*	*			cis	-172.8	171.9	-14.3	-140.8	167.5	23.2	0	0	106.2
32	N	35.2	Very low	34.5	Very low	123 Å²	123	130 Å²	130	66%	0.658	70%	0.696	S	S	*	*			cis	-134.1	167.7	4	-87.7	-85.2	0	0	0	107.5
33	E	34.4	Very low	34.6	Very low	130 Å²	130	132.2 Å²	132.2	61%	0.607	71%	0.709	S	S	*	*			cis	93.8	102.4	26.1	-145.1	-85.6	-112.2	0	0	115.7	K35	E33-K35 IonicContact OE1-NZ 2.62Å; E33-K35 PolarHBondContact OE1-NZ 2.62Å; E33-K35 WeakPolarHBondContact OE2-CE 3.11Å; E33-K35 IonicContact OE2-NZ 2.72Å; E33-K35 PolarHBondContact OE2-NZ 3.48Å
34	G	37.3	Very low	34.4	Very low	68 Å²	68	134 Å²	134	70%	0.701	72%	0.72	S	S	*	*			trans	149.9	142.4	161.1	0	0	0	0	0	116.3
35	K	37.6	Very low	34.4	Very low	153 Å²	153	137.8 Å²	137.8	67%	0.665	74%	0.738	S	S	*	*			cis	-170.4	167.5	-24.9	-123	155	-170.9	137.1	0	110.9	E33	E33-K35 IonicContact OE1-NZ 2.62Å; E33-K35 PolarHBondContact OE1-NZ 2.62Å; E33-K35 WeakPolarHBondContact OE2-CE 3.11Å; E33-K35 IonicContact OE2-NZ 2.72Å; E33-K35 PolarHBondContact OE2-NZ 3.48Å
36	N	34.2	Very low	34.5	Very low	143 Å²	143	142 Å²	142	77%	0.765	74%	0.744	S	S	*	*			trans	73.5	123.3	174.4	-45.2	-28.3	0	0	0	115.2
37	T	33	Very low	34.3	Very low	135 Å²	135	143.6 Å²	143.6	83%	0.828	75%	0.745	S	S	*	*			cis	100.4	140.2	14.2	-50.1	0	0	0	0	115.5
38	E	34.4	Very low	34.2	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	75%	0.748	S	S	*	*			trans	110.8	98	168.4	-143.1	160	-137.2	0	0	113.9
39	Y	29.9	Very low	33.7	Very low	193 Å²	193	142.3 Å²	142.3	76%	0.757	76%	0.762	S	S	*	*				58.3	133.7	92.4	-88.7	-92	0	0	0	113.3
40	F	33.1	Very low	33.6	Very low	189 Å²	189	142.3 Å²	142.3	83%	0.829	76%	0.762	S	S	*	*			cis	-149	175.7	31.8	-97	-87.3	0	0	0	112.2
41	G	32	Very low	33.1	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	77%	0.771	S	S	*	*			trans	122.1	57.6	141.1	0	0	0	0	0	119.4
42	T	30.8	Very low	33	Very low	129 Å²	129	147 Å²	147	79%	0.791	79%	0.786	S	S	*	*			trans	-73.8	131.3	170.6	-44.5	0	0	0	0	112.3	V44	T42-V44 HydrophobicContact CG2-CG2 4.46Å
43	Q	33.9	Very low	33	Very low	191 Å²	191	149.3 Å²	149.3	89%	0.893	79%	0.793	S	S	*	*			trans	-127.8	147	152.5	-78.8	-155	23.8	0	0	111
44	V	30.7	Very low	33	Very low	112 Å²	112	150.7 Å²	150.7	68%	0.679	80%	0.803	S	S	*	*			trans	-107.2	125.7	-171.1	174.7	0	0	0	0	110.1	T42 K46	T42-V44 HydrophobicContact CG2-CG2 4.46Å; V44-K46 HydrophobicContact CG1-CG 4.18Å
45	I	35.3	Very low	32.6	Very low	167 Å²	167	155.7 Å²	155.7	86%	0.856	81%	0.808	S	S	*	*			trans	-123.7	119.7	162.6	-61.1	-177.8	0	0	0	108.5
46	K	30.6	Very low	32.6	Very low	185 Å²	185	158.4 Å²	158.4	80%	0.804	82%	0.823	S	S	*	*			trans	-90	124.6	177.9	-63.3	177.7	179.8	178.8	0	110.6	V44	V44-K46 HydrophobicContact CG1-CG 4.18Å
47	K	33.3	Very low	32.5	Very low	200 Å²	200	156.2 Å²	156.2	87%	0.87	82%	0.819	S	S	*	*			trans	-151.8	106.2	149.4	-98.7	177.1	179.3	179.4	0	106.4
48	A	30.9	Very low	32.4	Very low	103 Å²	103	157.6 Å²	157.6	85%	0.851	82%	0.82	S	S	*	*				67	84.1	71.4	0	0	0	0	0	111.9
49	C	31	Very low	32.3	Very low	137 Å²	137	154.8 Å²	154.8	93%	0.926	81%	0.814	S	S	*	*			trans	-133.2	128.5	157.7	-172.8	0	0	0	0	106
50	S	33.3	Very low	32.7	Very low	96 Å²	96	154.4 Å²	154.4	67%	0.671	82%	0.817	S	S	*	*			trans	-143.9	124.3	-169.1	53.7	0	0	0	0	111.4
51	E	29.5	Very low	32.5	Very low	189 Å²	189	152.2 Å²	152.2	88%	0.883	82%	0.819	S	S	*	*			trans	39.3	99.4	147.6	-59	178.6	119.1	0	0	118.1
52	Q	31.7	Very low	32.6	Very low	200 Å²	200	153.6 Å²	153.6	94%	0.935	82%	0.817	S	S	*	*			trans	-143.5	33.1	163.7	-146.9	176.3	10.9	0	0	115
53	E	35.5	Very low	32.5	Very low	173 Å²	173	155.3 Å²	155.3	81%	0.808	82%	0.82	S	S	*	*	S	Bend	trans	-136.4	15.2	172.3	-140.6	179.7	167.5	0	0	116
54	I	34.3	Very low	32.4	Very low	159 Å²	159	154 Å²	154	82%	0.815	82%	0.818	S	S	*	*	S	Bend	trans	-136.4	63.2	171.2	-46	85.8	0	0	0	112.7
55	Q	30.2	Very low	32.6	Very low	172 Å²	172	153.8 Å²	153.8	80%	0.804	82%	0.819	S	S	*	*			trans	-153.1	71.2	160.9	-78.5	-152	0.9	0	0	113.7
56	E	36.1	Very low	32.4	Very low	210 Å²	210	156 Å²	156	98%	0.981	82%	0.822	S	S	*	*	S	Bend	trans	-118.3	14.4	161.7	-77.3	-155.8	140.1	0	0	113.3
57	S	33.4	Very low	32.8	Very low	98 Å²	98	152.7 Å²	152.7	69%	0.685	82%	0.817	S	S	*	*	S	Bend	trans	-139.6	142.7	171.2	68.3	0	0	0	0	110.6
58	I	31	Very low	32.8	Very low	163 Å²	163	145.5 Å²	145.5	84%	0.836	79%	0.792	S	S	*	*			trans	69.9	63.3	-179.3	-37.4	176.1	0	0	0	114.8
59	V	32.6	Very low	33.3	Very low	113 Å²	113	148.9 Å²	148.9	69%	0.685	79%	0.788	S	S	*	*			trans	-126.7	95.5	137.9	-176.1	0	0	0	0	109.1
60	K	37.2	Very low	34	Very low	185 Å²	185	146.9 Å²	146.9	80%	0.804	77%	0.768	S	S	*	*			trans	-93.7	152.2	152.7	-81.3	-176.7	176	178.3	0	107.7
61	T	29.7	Very low	34.7	Very low	142 Å²	142	145.6 Å²	145.6	87%	0.871	76%	0.756	S	S	*	*			trans	56.2	90.6	161.4	50.6	0	0	0	0	118
62	S	32.8	Very low	35.4	Very low	101 Å²	101	143.2 Å²	143.2	71%	0.706	74%	0.743	S	S	*	*			trans	-147.4	88.2	147	52.1	0	0	0	0	112.4
63	I	29.9	Very low	36.4	Very low	166 Å²	166	137.7 Å²	137.7	85%	0.851	72%	0.72	S	S	*	*			trans	27.9	97.3	146.3	-45.4	174.8	0	0	0	117.4
64	L	32.4	Very low	37.5	Very low	163 Å²	163	133.8 Å²	133.8	85%	0.853	70%	0.704	S	S	*	*			trans	-119	154.3	138.6	-123.9	69.7	0	0	0	107.1
65	P	34	Very low	38.8	Very low	107 Å²	107	135.3 Å²	135.3	70%	0.695	70%	0.7	S	S	*	*			trans	-72.5	153.3	-152.6	27.4	-34.8	0	0	0	114.3	V67	P65-V67 VanDerWaalsContact C-N 3.32Å; P65-V67 PolarHBondContact O-N 3.38Å
66	K	30.1	Very low	39.8	Very low	215 Å²	215	130.9 Å²	130.9	94%	0.935	68%	0.681	S	S	*	*			trans	-64.5	88.1	167.3	-67.4	178.9	179.3	177.5	0	109.9	S68	K66-S68 PolarHBondContact O-N 2.52Å
67	V	39.3	Very low	40.9	Very low	115 Å²	115	127.4 Å²	127.4	70%	0.697	67%	0.665	S	S	*	*			trans	-67.7	118.9	151.5	-177.2	0	0	0	0	105.6	P65	P65-V67 VanDerWaalsContact C-N 3.32Å; P65-V67 PolarHBondContact O-N 3.38Å
68	S	33	Very low	42.6	Very low	48 Å²	48	128.4 Å²	128.4	34%	0.336	66%	0.657	S	S	.	*			trans	-70.4	162.2	-177.1	73.2	0	0	0	0	110.8	K66 D70	K66-S68 PolarHBondContact O-N 2.52Å; S68-D70 WeakPolarHBondContact CB-OD2 3.39Å; S68-D70 PolarHBondContact O-N 3.43Å; S68-D70 VanDerWaalsContact O-N 3.16Å; S68-D70 WeakPolarHBondContact OG-CB 3.45Å; S68-D70 PolarHBondContact OG-N 3.4Å; S68-D70 PolarHBondContact OG-OD2 3.26Å
69	K	42.1	Very low	43.5	Very low	175 Å²	175	126.2 Å²	126.2	76%	0.761	65%	0.646	S	S	*	*	H	α-helix	trans	-60.2	-23.2	173.5	-84.3	-174.2	170.8	-175.6	0	111.8	N73	K69-N73 PolarHBondContact O-N 2.61Å; K69-N73 PolarHBondContact O-ND2 2.9Å
70	D	46.8	Very low	44.5	Very low	95 Å²	95	126.6 Å²	126.6	51%	0.508	64%	0.644	S	S	.	*	H	α-helix	trans	-68.8	-50	-173.6	-32.6	-54.6	0	0	0	109.2	S68 F72 N73 D74	S68-D70 WeakPolarHBondContact CB-OD2 3.39Å; S68-D70 PolarHBondContact O-N 3.43Å; S68-D70 VanDerWaalsContact O-N 3.16Å; S68-D70 WeakPolarHBondContact OG-CB 3.45Å; S68-D70 PolarHBondContact OG-N 3.4Å; S68-D70 PolarHBondContact OG-OD2 3.26Å; D70-F72 PolarHBondContact O-N 3.13Å; D70-N73 CarbonylContact O-C 3.49Å; D70-N73 WeakPolarHBondContact O-CA 3.35Å; D70-N73 PolarHBondContact O-N 3.19Å; D70-D74 PolarHBondContact O-N 3.43Å
71	T	48	Very low	44.9	Very low	68 Å²	68	120.3 Å²	120.3	42%	0.417	63%	0.627	S	S	.	*	H	α-helix	trans	-59.9	-23.5	-179	-41.7	0	0	0	0	114.7	D74 R75	T71-D74 WeakPolarHBondContact CA-OD2 3.21Å; T71-R75 PolarHBondContact O-N 3.08Å
72	F	42.8	Very low	45.8	Very low	139 Å²	139	119.4 Å²	119.4	61%	0.61	61%	0.613	S	S	*	*	H	α-helix	trans	-80.8	-40.1	171.8	-175.1	-100.6	0	0	0	112.1	D70 R75 L76	D70-F72 PolarHBondContact O-N 3.13Å; F72-R75 PolarHBondContact O-N 3.29Å; F72-L76 HydrophobicContact CD1-CD1 3.99Å; F72-L76 HydrophobicContact CE1-CD1 3.48Å; F72-L76 VanDerWaalsContact CE1-CD1 3.48Å; F72-L76 HydrophobicContact CE1-CG 4.45Å; F72-L76 HydrophobicContact CZ-CD1 4.03Å; F72-L76 PolarHBondContact O-N 3Å; F72-L76 VanDerWaalsContact O-N 3.11Å
73	N	53.7	Low	46.2	Very low	85 Å²	85	118.2 Å²	118.2	46%	0.455	61%	0.609	S	S	.	*	H	α-helix	trans	-68.2	-38	173.2	-73.4	-67.1	0	0	0	111.9	K69 D70 R75 L76 Q77	K69-N73 PolarHBondContact O-N 2.61Å; K69-N73 PolarHBondContact O-ND2 2.9Å; D70-N73 CarbonylContact O-C 3.49Å; D70-N73 WeakPolarHBondContact O-CA 3.35Å; D70-N73 PolarHBondContact O-N 3.19Å; N73-R75 VanDerWaalsContact C-N 3.29Å; N73-R75 PolarHBondContact O-N 2.79Å; N73-L76 CarbonylContact O-C 3.44Å; N73-L76 PolarHBondContact O-N 2.73Å; N73-L76 VanDerWaalsContact O-N 3.13Å; N73-Q77 WeakPolarHBondContact O-CB 3.29Å; N73-Q77 PolarHBondContact O-N 2.83Å
74	D	58.7	Low	46.5	Very low	91 Å²	91	115.4 Å²	115.4	49%	0.487	60%	0.6	S	S	.	*	H	α-helix	trans	-60.2	-38.4	174.4	-61.9	-28	0	0	0	111.3	D70 T71 K78	D70-D74 PolarHBondContact O-N 3.43Å; T71-D74 WeakPolarHBondContact CA-OD2 3.21Å; D74-K78 WeakPolarHBondContact O-CB 3.03Å; D74-K78 PolarHBondContact O-N 3.12Å
75	R	60.8	Low	46.7	Very low	190 Å²	190	115 Å²	115	72%	0.717	60%	0.598	S	S	*	*	H	α-helix	trans	-72.9	-32.6	175	-80.7	-175.2	167.5	-170.5	-3.6	112.9	T71 F72 N73 L79	T71-R75 PolarHBondContact O-N 3.08Å; F72-R75 PolarHBondContact O-N 3.29Å; N73-R75 VanDerWaalsContact C-N 3.29Å; N73-R75 PolarHBondContact O-N 2.79Å; R75-L79 WeakPolarHBondContact O-CB 3.27Å; R75-L79 WeakPolarHBondContact O-CG 3.18Å; R75-L79 PolarHBondContact O-N 2.76Å; R75-L79 VanDerWaalsContact O-N 3.1Å
76	L	51.4	Low	46.6	Very low	79 Å²	79	115.5 Å²	115.5	41%	0.414	60%	0.601	S	S	.	*	H	α-helix	trans	-72.4	-44.6	172	-83.2	168.9	0	0	0	112.1	F72 N73 K78 L79 L80	F72-L76 HydrophobicContact CD1-CD1 3.99Å; F72-L76 HydrophobicContact CE1-CD1 3.48Å; F72-L76 VanDerWaalsContact CE1-CD1 3.48Å; F72-L76 HydrophobicContact CE1-CG 4.45Å; F72-L76 HydrophobicContact CZ-CD1 4.03Å; F72-L76 PolarHBondContact O-N 3Å; F72-L76 VanDerWaalsContact O-N 3.11Å; N73-L76 CarbonylContact O-C 3.44Å; N73-L76 PolarHBondContact O-N 2.73Å; N73-L76 VanDerWaalsContact O-N 3.13Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-L79 PolarHBondContact O-N 3.41Å; L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 3.43Å
77	Q	59.9	Low	46.7	Very low	138 Å²	138	110 Å²	110	65%	0.645	60%	0.595	S	S	*	*	H	α-helix	trans	-63.8	-38.8	173.8	-75.9	-158.3	-2.9	0	0	111.5	N73 L80 A81	N73-Q77 WeakPolarHBondContact O-CB 3.29Å; N73-Q77 PolarHBondContact O-N 2.83Å; Q77-L80 CarbonylContact O-C 3.5Å; Q77-L80 PolarHBondContact O-N 2.99Å; Q77-A81 VanDerWaalsContact O-CB 3.26Å; Q77-A81 WeakPolarHBondContact O-CB 2.97Å; Q77-A81 PolarHBondContact O-N 2.59Å
78	K	68.9	Low	46.2	Very low	119 Å²	119	109.4 Å²	109.4	52%	0.517	60%	0.596	S	S	.	*	H	α-helix	trans	-62.3	-43.4	173.6	-179.3	166.1	175.2	171.3	0	111.9	D74 L76 L80 A81 E82	D74-K78 WeakPolarHBondContact O-CB 3.03Å; D74-K78 PolarHBondContact O-N 3.12Å; L76-K78 VanDerWaalsContact C-N 3.34Å; K78-L80 VanDerWaalsContact C-N 3.3Å; K78-L80 PolarHBondContact O-N 3.38Å; K78-A81 PolarHBondContact O-N 3.08Å; K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 VanDerWaalsContact CE-OE2 3.23Å; K78-E82 WeakPolarHBondContact CE-OE2 3.35Å; K78-E82 HydrophobicContact CG-CG 4.32Å; K78-E82 IonicContact NZ-OE1 3.25Å; K78-E82 PolarHBondContact NZ-OE1 3.04Å; K78-E82 WeakPolarHBondContact O-CB 3.42Å; K78-E82 WeakPolarHBondContact O-CG 3.5Å; K78-E82 PolarHBondContact O-N 2.94Å
79	L	49	Very low	46.2	Very low	116 Å²	116	114.7 Å²	114.7	61%	0.607	62%	0.615	S	S	*	*	H	α-helix	trans	-68.5	-26	175.3	-75	170	0	0	0	113.6	R75 L76 A83	R75-L79 WeakPolarHBondContact O-CB 3.27Å; R75-L79 WeakPolarHBondContact O-CG 3.18Å; R75-L79 PolarHBondContact O-N 2.76Å; R75-L79 VanDerWaalsContact O-N 3.1Å; L76-L79 PolarHBondContact O-N 3.41Å; L79-A83 WeakPolarHBondContact O-CB 3.46Å
80	L	53.3	Low	45.7	Very low	121 Å²	121	112.3 Å²	112.3	63%	0.634	62%	0.616	S	S	*	*	H	α-helix	trans	-79.5	-33.7	172.5	-71.3	164.8	0	0	0	112.1	L76 Q77 K78 A83 T84	L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 3.43Å; Q77-L80 CarbonylContact O-C 3.5Å; Q77-L80 PolarHBondContact O-N 2.99Å; K78-L80 VanDerWaalsContact C-N 3.3Å; K78-L80 PolarHBondContact O-N 3.38Å; L80-A83 PolarHBondContact O-N 2.87Å; L80-T84 PolarHBondContact O-N 3.33Å
81	A	47.3	Very low	45.2	Very low	54 Å²	54	113.6 Å²	113.6	45%	0.446	63%	0.632	S	S	.	*	H	α-helix	trans	-76.2	-40	176.5	0	0	0	0	0	112.4	Q77 K78 A83 T84	Q77-A81 VanDerWaalsContact O-CB 3.26Å; Q77-A81 WeakPolarHBondContact O-CB 2.97Å; Q77-A81 PolarHBondContact O-N 2.59Å; K78-A81 PolarHBondContact O-N 3.08Å; A81-A83 PolarHBondContact O-N 3.13Å; A81-T84 CarbonylContact O-C 3.48Å; A81-T84 PolarHBondContact O-N 3.47Å
82	E	47.5	Very low	44.5	Very low	123 Å²	123	113.1 Å²	113.1	58%	0.575	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-12.6	170.5	-73.1	177.9	151.1	0	0	112.3	K78	K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 VanDerWaalsContact CE-OE2 3.23Å; K78-E82 WeakPolarHBondContact CE-OE2 3.35Å; K78-E82 HydrophobicContact CG-CG 4.32Å; K78-E82 IonicContact NZ-OE1 3.25Å; K78-E82 PolarHBondContact NZ-OE1 3.04Å; K78-E82 WeakPolarHBondContact O-CB 3.42Å; K78-E82 WeakPolarHBondContact O-CG 3.5Å; K78-E82 PolarHBondContact O-N 2.94Å
83	A	41.6	Very low	44.1	Very low	76 Å²	76	114.8 Å²	114.8	63%	0.628	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	1.1	169.1	0	0	0	0	0	114.1	L79 L80 A81	L79-A83 WeakPolarHBondContact O-CB 3.46Å; L80-A83 PolarHBondContact O-N 2.87Å; A81-A83 PolarHBondContact O-N 3.13Å
84	T	35.2	Very low	43.1	Very low	107 Å²	107	117.6 Å²	117.6	66%	0.656	66%	0.658	S	S	*	*			trans	-149.5	82.4	-178.9	-55.4	0	0	0	0	111.9	L80 A81	L80-T84 PolarHBondContact O-N 3.33Å; A81-T84 CarbonylContact O-C 3.48Å; A81-T84 PolarHBondContact O-N 3.47Å
85	L	37.8	Very low	42	Very low	155 Å²	155	118.7 Å²	118.7	81%	0.812	67%	0.668	S	S	*	*			trans	-133.4	118.2	168.6	-77.5	176.4	0	0	0	111.5
86	P	30.8	Very low	40.8	Very low	117 Å²	117	116.9 Å²	116.9	76%	0.76	67%	0.667	S	S	*	*			trans	-97.2	-176.6	168.1	38.9	-33.9	0	0	0	112.2
87	A	32.1	Very low	39.8	Very low	99 Å²	99	119.2 Å²	119.2	82%	0.818	68%	0.676	S	S	*	*			trans	90.9	132.8	163.8	0	0	0	0	0	119.3
88	S	29	Very low	38.6	Very low	103 Å²	103	119.3 Å²	119.3	72%	0.72	68%	0.676	S	S	*	*			trans	-77.8	-176.1	163.7	50.7	0	0	0	0	109.8
89	Q	33.7	Very low	37	Very low	158 Å²	158	121 Å²	121	74%	0.738	69%	0.686	S	S	*	*			cis	-176.3	172.1	43.3	-158.5	-176.7	89.6	0	0	111.5
90	T	32.5	Very low	36.1	Very low	125 Å²	125	119.4 Å²	119.4	77%	0.767	69%	0.69	S	S	*	*			trans	70.4	151.9	166.2	69.7	0	0	0	0	117.1
91	S	34.5	Very low	35	Very low	123 Å²	123	121.3 Å²	121.3	86%	0.86	70%	0.7	S	S	*	*			cis	-173.1	154.7	-20.8	178.9	0	0	0	0	106.4
92	G	33.2	Very low	34.1	Very low	57 Å²	57	127 Å²	127	59%	0.588	71%	0.714	S	S	*	*			cis	163.5	-161.3	3.7	0	0	0	0	0	109.2
93	K	35.4	Very low	33.3	Very low	174 Å²	174	127.2 Å²	127.2	76%	0.757	72%	0.724	S	S	*	*			trans	67.6	154	-177.3	-59.5	176	153.6	-77.9	0	114.5
94	E	33	Very low	32.7	Very low	144 Å²	144	126.6 Å²	126.6	67%	0.673	72%	0.724	S	S	*	*			cis	-168.1	151.6	-16.9	-106.2	152.9	-1.2	0	0	105.7
95	V	34.8	Very low	32.5	Very low	115 Å²	115	128.1 Å²	128.1	70%	0.697	73%	0.734	S	S	*	*			cis	-169.1	179	-3.5	69.3	0	0	0	0	109.5
96	H	35.4	Very low	32.1	Very low	152 Å²	152	125.8 Å²	125.8	70%	0.704	73%	0.73	S	S	*	*			trans	78.5	142.1	161.3	-81.9	39.1	0	0	0	118.6
97	E	31.4	Very low	32.3	Very low	128 Å²	128	128 Å²	128	60%	0.598	73%	0.73	S	S	*	*			cis	-167	149.5	-6.3	175.9	159.8	-144.8	0	0	115.5
98	Q	35.1	Very low	32.3	Very low	139 Å²	139	130 Å²	130	65%	0.65	73%	0.727	S	S	*	*			trans	58.8	151.8	160.9	-73	167.2	38.1	0	0	119.3
99	Q	33.6	Very low	32.5	Very low	156 Å²	156	128.3 Å²	128.3	73%	0.729	73%	0.727	S	S	*	*			cis	-147.1	135.2	-8.7	-111.4	169	86.3	0	0	106.5
100	A	30	Very low	32.5	Very low	82 Å²	82	130.9 Å²	130.9	68%	0.678	74%	0.735	S	S	*	*				61.5	136.8	69	0	0	0	0	0	112.7
101	L	31.2	Very low	32.4	Very low	161 Å²	161	128.6 Å²	128.6	84%	0.843	72%	0.724	S	S	*	*			cis	-150.8	-171.7	17.5	-74	172.4	0	0	0	109.5
102	K	29	Very low	32.3	Very low	173 Å²	173	132.4 Å²	132.4	75%	0.752	73%	0.726	S	S	*	*			cis	175.7	147.4	-47.1	-169.9	-166.2	174.7	-174.8	0	108.4
103	V	30.6	Very low	32.4	Very low	128 Å²	128	133.3 Å²	133.3	78%	0.776	73%	0.728	S	S	*	*			trans	74.5	146.6	173.8	-165.5	0	0	0	0	114.2
104	G	27.6	Very low	32.4	Very low	62 Å²	62	133.2 Å²	133.2	64%	0.639	73%	0.727	S	S	*	*			cis	149.5	171	-7.8	0	0	0	0	0	112.7
105	V	31.1	Very low	32.5	Very low	140 Å²	140	131.3 Å²	131.3	85%	0.848	72%	0.722	S	S	*	*			trans	70	115.4	176.1	-168.6	0	0	0	0	113.4
106	S	30.2	Very low	32.5	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	73%	0.725	S	S	*	*			cis	85.9	115.7	46.6	-169.4	0	0	0	0	114.7
107	E	35.1	Very low	32.5	Very low	162 Å²	162	134.4 Å²	134.4	76%	0.757	73%	0.729	S	S	*	*				174.1	144.8	119.6	-89.7	-150.1	124.7	0	0	114.7
108	N	31.8	Very low	32.5	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	73%	0.733	S	S	*	*			trans	19.3	131	147.2	-50.3	-42.9	0	0	0	120.3
109	G	32.5	Very low	32.6	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	73%	0.731	S	S	*	*			cis	136.2	175.8	28.3	0	0	0	0	0	111.1
110	K	34.2	Very low	32.8	Very low	211 Å²	211	132.4 Å²	132.4	92%	0.917	74%	0.736	S	S	*	*			trans	73.6	155.7	175	-62	177.5	-177.2	174.3	0	118.1
111	S	30.2	Very low	32.9	Very low	77 Å²	77	131.6 Å²	131.6	54%	0.538	74%	0.735	S	S	.	*			cis	176.3	148.5	-46	49.9	0	0	0	0	110.8
112	F	33.2	Very low	33	Very low	203 Å²	203	132 Å²	132	89%	0.89	74%	0.737	S	S	*	*			trans	68.5	166.2	170.5	-53.2	-73.6	0	0	0	116.8
113	A	35.3	Very low	33	Very low	76 Å²	76	133.3 Å²	133.3	63%	0.628	74%	0.737	S	S	*	*			cis	178	168.8	-44.5	0	0	0	0	0	108.1
114	K	35.3	Very low	33.1	Very low	173 Å²	173	134.6 Å²	134.6	75%	0.752	74%	0.735	S	S	*	*			trans	70	153.2	161.9	-72.3	-168.7	145.9	-71	0	114.7
115	D	34.7	Very low	33.2	Very low	103 Å²	103	136.8 Å²	136.8	55%	0.551	74%	0.74	S	S	*	*			cis	-168.8	171.3	1.3	-117.9	-1	0	0	0	112.2
116	E	35.7	Very low	33.4	Very low	164 Å²	164	135.2 Å²	135.2	77%	0.766	73%	0.733	S	S	*	*			trans	65.9	126.4	158.1	-38.4	-129.9	119.1	0	0	117.5
117	E	33.9	Very low	33.2	Very low	169 Å²	169	139.6 Å²	139.6	79%	0.79	74%	0.739	S	S	*	*				83.5	152.5	70.5	-117.6	-174.3	-170.1	0	0	113
118	E	31.4	Very low	33	Very low	148 Å²	148	139.2 Å²	139.2	69%	0.692	74%	0.737	S	S	*	*			cis	-162	-162.4	11.1	-158.8	-128.2	124.9	0	0	111.4
119	V	38.7	Very low	33.2	Very low	97 Å²	97	138.3 Å²	138.3	59%	0.588	74%	0.739	S	S	*	*			trans	81	92.4	156	179.9	0	0	0	0	122
120	T	36.7	Very low	32.9	Very low	136 Å²	136	141.4 Å²	141.4	83%	0.834	74%	0.735	S	S	*	*			trans	61.3	153	137.1	69.3	0	0	0	0	123.1
121	G	33.3	Very low	32.5	Very low	65 Å²	65	140.2 Å²	140.2	67%	0.67	73%	0.725	S	S	*	*			cis	161.9	167	-9.4	0	0	0	0	0	115.2
122	L	32.8	Very low	32.3	Very low	168 Å²	168	146 Å²	146	88%	0.88	74%	0.735	S	S	*	*			trans	60.9	122	170.1	-62.1	162.1	0	0	0	116.9
123	R	28.7	Very low	32.1	Very low	202 Å²	202	141.8 Å²	141.8	76%	0.762	72%	0.721	S	S	*	*			cis	104.9	142.7	32.9	-166.9	-161.3	-158.6	-97.5	-1.7	111.1
124	E	33.2	Very low	31.8	Very low	154 Å²	154	145.9 Å²	145.9	72%	0.72	73%	0.728	S	S	*	*			trans	108.1	103.3	162.3	-52.8	-153.6	153.6	0	0	118.9
125	S	30.2	Very low	31.7	Very low	108 Å²	108	145.9 Å²	145.9	76%	0.755	73%	0.73	S	S	*	*			trans	-74.4	162.6	138.2	-35.9	0	0	0	0	108.3
126	P	34.4	Very low	31.5	Very low	108 Å²	108	147 Å²	147	70%	0.701	74%	0.737	S	S	*	*			cis	-157.4	-167.5	42.8	46.3	-24.8	0	0	0	117.9
127	K	26.5	Very low	31.6	Very low	197 Å²	197	144.7 Å²	144.7	86%	0.857	74%	0.737	S	S	*	*			trans	75.5	135.6	152.9	-75	174.9	-178.1	178.6	0	120.8
128	E	31.1	Very low	31.3	Very low	154 Å²	154	141.4 Å²	141.4	72%	0.72	73%	0.732	S	S	*	*			trans	-49.2	141.1	164.5	172.2	-165	-160.7	0	0	114.7
129	P	34.3	Very low	31.5	Very low	123 Å²	123	141 Å²	141	80%	0.799	74%	0.74	S	S	*	*			trans	-103.3	112.8	156.5	34.3	-25.1	0	0	0	111.9
130	Q	27.5	Very low	31	Very low	134 Å²	134	141.7 Å²	141.7	63%	0.626	74%	0.74	S	S	*	*			trans	-69.5	161.9	161.2	-69.2	-173.9	-10.7	0	0	111.7
131	R	26.1	Very low	30.7	Very low	186 Å²	186	142.8 Å²	142.8	70%	0.702	73%	0.734	S	S	*	*			trans	107.7	130.2	142	-61.2	-166.1	168.5	-170.2	-5.7	119.4
132	R	25.8	Very low	30.4	Very low	198 Å²	198	146.8 Å²	146.8	75%	0.747	74%	0.739	S	S	*	*			trans	59	121.9	130.2	-74	-174.6	177.6	-176.3	-3.7	117.9
133	N	28.3	Very low	30.2	Very low	114 Å²	114	145.3 Å²	145.3	61%	0.61	73%	0.731	S	S	*	*				-172.1	129.6	68.6	-94	-33.4	0	0	0	108.8
134	Q	29.3	Very low	30.3	Very low	162 Å²	162	144.2 Å²	144.2	76%	0.757	73%	0.732	S	S	*	*				95	162.7	93.7	-75.5	-175.8	38	0	0	113.6
135	Q	33.9	Very low	29.9	Very low	173 Å²	173	144.7 Å²	144.7	81%	0.808	73%	0.734	S	S	*	*			trans	75.7	132.8	173.8	-46.4	-157.5	-93.3	0	0	116.5
136	D	30.5	Very low	29.8	Very low	128 Å²	128	143.8 Å²	143.8	68%	0.684	73%	0.728	S	S	*	*			cis	-161.4	170.9	-19	-119.1	-47.8	0	0	0	111.1
137	C	36.7	Very low	29.4	Very low	114 Å²	114	143.9 Å²	143.9	77%	0.77	73%	0.726	S	S	*	*			trans	57.5	108.7	170.9	-59.6	0	0	0	0	116.4
138	S	28.4	Very low	29.4	Very low	100 Å²	100	145.6 Å²	145.6	70%	0.699	73%	0.728	S	S	*	*			cis	60.3	99.2	34.2	-159.2	0	0	0	0	115.1
139	V	35.1	Very low	29.5	Very low	139 Å²	139	144.4 Å²	144.4	84%	0.842	73%	0.731	S	S	*	*				-156.5	127.8	103.7	-85.9	0	0	0	0	107.2
140	D	28.8	Very low	29.5	Very low	113 Å²	113	143.6 Å²	143.6	60%	0.604	73%	0.725	S	S	*	*			cis	93	132.1	42.4	-143.1	16.9	0	0	0	114.1
141	K	30.4	Very low	29.8	Very low	159 Å²	159	144.3 Å²	144.3	69%	0.691	73%	0.733	S	S	*	*			trans	-6.7	143.4	173	-51.4	152.5	-165.7	90.2	0	119.1
142	L	27.5	Very low	30.3	Very low	149 Å²	149	140.4 Å²	140.4	78%	0.78	73%	0.734	S	S	*	*				170.1	157.8	106.6	-92.7	163.5	0	0	0	113.3
143	L	28.6	Very low	30.7	Very low	137 Å²	137	136.4 Å²	136.4	72%	0.717	73%	0.734	S	S	*	*			trans	55.7	120.3	155.6	-66	161	0	0	0	117.3
144	K	29.4	Very low	30.7	Very low	178 Å²	178	137.9 Å²	137.9	77%	0.774	74%	0.741	S	S	*	*			cis	63.5	119.5	33	-153.5	-171.7	179.7	-174.4	0	112.9
145	E	25.2	Very low	30.8	Very low	164 Å²	164	138.8 Å²	138.8	77%	0.766	75%	0.745	S	S	*	*			trans	67.6	151.5	-173.5	-55.4	179	91.7	0	0	113.2
146	S	27.3	Very low	30.7	Very low	90 Å²	90	135.4 Å²	135.4	63%	0.629	74%	0.741	S	S	*	*			cis	-153.9	146.5	0	-138.5	0	0	0	0	112.9
147	T	25.7	Very low	30.9	Very low	109 Å²	109	134.2 Å²	134.2	67%	0.669	74%	0.74	S	S	*	*				49.1	98	128	-53	0	0	0	0	120
148	R	27.7	Very low	30.4	Very low	234 Å²	234	135 Å²	135	88%	0.883	74%	0.736	S	S	*	*				178.6	122	117.1	-101.4	155.4	-166.1	-173.7	4.5	117.2
149	T	33	Very low	30.2	Very low	128 Å²	128	138.7 Å²	138.7	79%	0.785	74%	0.742	S	S	*	*			trans	-63.3	178.7	141.2	24.8	0	0	0	0	111.4
150	P	35.2	Very low	29.8	Very low	106 Å²	106	135.9 Å²	135.9	69%	0.688	73%	0.733	S	S	*	*			cis	-120.2	-164.9	-0.5	20.6	6.8	0	0	0	110.8
151	L	32.3	Very low	29.7	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	74%	0.741	S	S	*	*			cis	-164.1	134.1	47.6	-79.6	158.1	0	0	0	113.2
152	S	36.4	Very low	29.4	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	74%	0.741	S	S	*	*			trans	-90.9	145.5	140.7	52.6	0	0	0	0	109.2
153	P	35.6	Very low	29.5	Very low	113 Å²	113	133 Å²	133	73%	0.734	74%	0.739	S	S	*	*				-125.1	148.5	110.6	1.1	20.1	0	0	0	111.2
154	L	27	Very low	29.4	Very low	145 Å²	145	137.1 Å²	137.1	76%	0.759	75%	0.745	S	S	*	*			cis	76.9	92.2	39.2	-159	-179.3	0	0	0	112.4
155	Q	31.3	Very low	29.4	Very low	182 Å²	182	133.6 Å²	133.6	85%	0.85	74%	0.741	S	S	*	*			trans	-174.9	123.6	136.6	-102.7	161.4	15.8	0	0	113.7
156	S	32.3	Very low	29.8	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	74%	0.743	S	S	*	*			trans	-71	179.3	152.4	55.7	0	0	0	0	109.6
157	P	34.5	Very low	29.9	Very low	102 Å²	102	134 Å²	134	66%	0.662	75%	0.747	S	S	*	*			cis	-158	-160.2	37.3	42.7	-17.4	0	0	0	117.7
158	L	26.9	Very low	30.5	Very low	132 Å²	132	134.1 Å²	134.1	69%	0.691	75%	0.75	S	S	*	*			trans	71.8	123.9	159	-66.2	171.4	0	0	0	116
159	E	24.9	Very low	30.6	Very low	176 Å²	176	130 Å²	130	82%	0.822	75%	0.745	S	S	*	*				61.2	142.1	80	-71.8	-169.4	176.1	0	0	113.7
160	A	25.1	Very low	30.7	Very low	80 Å²	80	130.3 Å²	130.3	66%	0.661	74%	0.735	S	S	*	*			cis	-171.6	-152.7	-14.1	0	0	0	0	0	106.2
161	V	27.4	Very low	30.8	Very low	127 Å²	127	133 Å²	133	77%	0.77	74%	0.744	S	S	*	*			trans	68.9	100.9	159.2	-174.6	0	0	0	0	117
162	T	25.1	Very low	31	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	73%	0.73	S	S	*	*				51.2	126.3	122.1	-36.8	0	0	0	0	117.6
163	T	28.6	Very low	30.9	Very low	120 Å²	120	131.9 Å²	131.9	74%	0.736	73%	0.73	S	S	*	*				-167.6	138.5	72.2	-53.9	0	0	0	0	114.1
164	R	26.9	Very low	30.8	Very low	223 Å²	223	133.4 Å²	133.4	84%	0.842	73%	0.731	S	S	*	*			trans	-13.7	169.6	146.9	-70.8	173.5	169.8	166.4	-4.6	119.2
165	P	29.3	Very low	30.9	Very low	105 Å²	105	131.4 Å²	131.4	68%	0.682	72%	0.717	S	S	*	*			cis	-137.8	-146.5	-31.5	33.7	-10.1	0	0	0	111.6
166	I	33	Very low	30.8	Very low	159 Å²	159	127.5 Å²	127.5	82%	0.815	70%	0.698	S	S	*	*			trans	92.6	107.6	161.1	-54.2	165.6	0	0	0	117.3
167	S	29.5	Very low	30.7	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	70%	0.699	S	S	*	*			trans	-101.6	-176.5	154	59.3	0	0	0	0	108.6
168	P	38.5	Very low	30.4	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	71%	0.707	S	S	*	*			cis	-142	-133.5	9.2	44.4	-22.1	0	0	0	112.7
169	L	30.9	Very low	30.6	Very low	148 Å²	148	137.2 Å²	137.2	78%	0.775	71%	0.71	S	S	*	*			trans	87.4	128.5	165.9	-141.1	74	0	0	0	114.8
170	K	34.5	Very low	30.9	Very low	133 Å²	133	138 Å²	138	58%	0.578	71%	0.71	S	S	*	*			cis	122.1	128	-0.3	-82	174.4	95.9	-89.1	0	110.2	D172	K170-D172 IonicContact NZ-OD1 3.12Å; K170-D172 PolarHBondContact NZ-OD1 2.79Å; K170-D172 IonicContact NZ-OD2 2.75Å; K170-D172 PolarHBondContact NZ-OD2 2.86Å
171	D	37	Very low	31.2	Very low	163 Å²	163	142 Å²	142	87%	0.872	72%	0.716	S	S	*	*			trans	-145.8	127.5	138.9	-81.2	-50.1	0	0	0	105.2
172	D	37.1	Very low	31.4	Very low	92 Å²	92	141.2 Å²	141.2	49%	0.492	71%	0.707	S	S	.	*			cis	93.8	141.2	27	-68.6	10.8	0	0	0	113.3	K170	K170-D172 IonicContact NZ-OD1 3.12Å; K170-D172 PolarHBondContact NZ-OD1 2.79Å; K170-D172 IonicContact NZ-OD2 2.75Å; K170-D172 PolarHBondContact NZ-OD2 2.86Å
173	L	33.7	Very low	31.8	Very low	138 Å²	138	144.1 Å²	144.1	72%	0.723	71%	0.713	S	S	*	*			cis	-163.5	180	-14.5	-117.6	172.5	0	0	0	109.6
174	L	34.6	Very low	32	Very low	146 Å²	146	143.7 Å²	143.7	76%	0.764	71%	0.714	S	S	*	*			trans	125.3	136.6	157.9	-66.1	166.5	0	0	0	112.6
175	F	29.2	Very low	32.5	Very low	103 Å²	103	138.6 Å²	138.6	45%	0.452	71%	0.71	S	S	.	*			cis	-143.4	84.8	21.2	-167.5	-87.7	0	0	0	113.3	K177 P279 S280	F175-K177 PolarHBondContact O-N 2.77Å; F175-K177 VanDerWaalsContact O-N 3.13Å; F175-P279 VanDerWaalsContact C-C 3.44Å; F175-P279 CarbonylContact C-O 3.18Å; F175-P279 WeakPolarHBondContact CA-O 3.09Å; F175-P279 PolarHBondContact N-O 2.78Å; F175-P279 CarbonylContact O-C 2.95Å; F175-S280 VanDerWaalsContact O-CB 3.29Å; F175-S280 WeakPolarHBondContact O-CB 3.17Å; F175-S280 PolarHBondContact O-N 3.21Å; F175-S280 PolarHBondContact O-OG 3.2Å
176	E	28.7	Very low	32.7	Very low	99 Å²	99	139.1 Å²	139.1	46%	0.463	72%	0.716	S	S	.	*			trans	-66.4	109.3	164.9	-104.9	-65.6	151	0	0	110.3	V277 L278 P279	E176-V277 WeakPolarHBondContact OE1-CG1 3.26Å; E176-L278 PolarHBondContact OE1-N 3.25Å; E176-P279 WeakPolarHBondContact OE1-CD 3.42Å
177	K	30.4	Very low	32.8	Very low	168 Å²	168	135.1 Å²	135.1	73%	0.73	71%	0.707	S	S	*	*			trans	161.4	94.3	145.5	-87.4	154.1	-171.8	172.6	0	114.1	F175	F175-K177 PolarHBondContact O-N 2.77Å; F175-K177 VanDerWaalsContact O-N 3.13Å
178	W	26.8	Very low	33.2	Very low	218 Å²	218	136.9 Å²	136.9	83%	0.826	71%	0.708	S	S	*	*	S	Bend	trans	-174.4	116.9	141.1	-151.1	-1.2	0	0	0	107.3
179	M	32	Very low	33.1	Very low	154 Å²	154	137.7 Å²	137.7	76%	0.759	70%	0.703	S	S	*	*			cis	-112.9	148	4.1	-79.2	-79.5	-148.7	0	0	112.5
180	K	31.3	Very low	33.3	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.835	70%	0.702	S	S	*	*			trans	-105.7	178.9	141.4	-89.2	-172	174.7	-176.9	0	107.6
181	E	30	Very low	33.1	Very low	165 Å²	165	141.9 Å²	141.9	77%	0.771	71%	0.711	S	S	*	*			trans	80.7	129.4	-171	-59.7	-163.6	76.6	0	0	113.9
182	N	31.9	Very low	33.2	Very low	110 Å²	110	141.6 Å²	141.6	59%	0.588	71%	0.708	S	S	*	*			cis	-144.9	126.8	-4.8	-94	-31.9	0	0	0	114.2
183	H	34.7	Very low	32.9	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.815	73%	0.725	S	S	*	*			trans	53.6	146.2	142.2	-64.7	-65.7	0	0	0	125.3
184	S	31.8	Very low	32.9	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	73%	0.728	S	S	*	*			trans	-92.9	-155.5	-177.1	-28.5	0	0	0	0	111.4
185	P	38.1	Very low	33	Very low	115 Å²	115	140.2 Å²	140.2	75%	0.747	73%	0.727	S	S	*	*			cis	-144.6	-175.5	8.5	45	-25.3	0	0	0	118.6
186	S	32.9	Very low	33.1	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	74%	0.742	S	S	*	*			trans	76.6	141.9	140	-163.7	0	0	0	0	120.1
187	A	35.8	Very low	33.6	Very low	76 Å²	76	143.7 Å²	143.7	63%	0.628	75%	0.751	S	S	*	*			cis	-170.1	-177.2	-19.4	0	0	0	0	0	110.8
188	D	37.1	Very low	33.7	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	76%	0.756	S	S	*	*			trans	74.1	145.8	157	-77.2	-13.5	0	0	0	121
189	Q	36	Very low	34.1	Very low	130 Å²	130	137.5 Å²	137.5	61%	0.607	75%	0.754	S	S	*	*			cis	-167.4	162.8	-25.2	-147.2	179.7	85.3	0	0	111.3
190	R	35.1	Very low	34.1	Very low	202 Å²	202	137 Å²	137	76%	0.762	76%	0.76	S	S	*	*			trans	75.8	132.2	166.1	-58.4	172.6	-163.5	177.8	3.3	116.8
191	E	32.1	Very low	34.2	Very low	166 Å²	166	131.3 Å²	131.3	78%	0.776	76%	0.755	S	S	*	*			cis	109.8	123	17.3	-174.9	-164.1	-170.7	0	0	112.6
192	I	37.4	Very low	34.2	Very low	157 Å²	157	130.6 Å²	130.6	81%	0.805	76%	0.755	S	S	*	*				172.4	138.7	126.8	-87.1	165.1	0	0	0	109.2
193	T	31.7	Very low	34.2	Very low	139 Å²	139	133.3 Å²	133.3	85%	0.853	77%	0.769	S	S	*	*			trans	-135.5	143.4	-169.3	-56.3	0	0	0	0	111.4
194	A	34.1	Very low	34.1	Very low	95 Å²	95	129.4 Å²	129.4	79%	0.785	77%	0.767	S	S	*	*			trans	-159.8	149	159.3	0	0	0	0	0	113
195	P	36.6	Very low	34	Very low	113 Å²	113	127.7 Å²	127.7	73%	0.734	77%	0.767	S	S	*	*			trans	-122.1	-178.2	-170.7	42.4	-29.4	0	0	0	116.3
196	F	30.6	Very low	33.7	Very low	175 Å²	175	126.5 Å²	126.5	77%	0.768	77%	0.767	S	S	*	*			trans	-73.4	147.8	172.5	-82.1	-100.3	0	0	0	113.8
197	P	39.4	Very low	33.8	Very low	100 Å²	100	128.1 Å²	128.1	65%	0.649	77%	0.766	S	S	*	*			trans	-115.8	157.2	161.6	38.4	-29.2	0	0	0	113.8
198	Q	33.6	Very low	33.7	Very low	180 Å²	180	130.9 Å²	130.9	84%	0.841	77%	0.77	S	S	*	*			trans	-142.3	125.9	166.9	-172.3	179.1	28.1	0	0	108.8
199	G	33.9	Very low	33.7	Very low	76 Å²	76	129.8 Å²	129.8	78%	0.784	76%	0.763	S	S	*	*			trans	172.1	117.4	-178.5	0	0	0	0	0	115.9
200	V	33.2	Very low	33.8	Very low	144 Å²	144	130 Å²	130	87%	0.873	76%	0.764	S	S	*	*			trans	-40.3	146.3	173.6	-178.8	0	0	0	0	115.8
201	G	32.3	Very low	33.8	Very low	72 Å²	72	129 Å²	129	74%	0.742	77%	0.765	S	S	*	*			trans	-144.7	-25	-172.9	0	0	0	0	0	122.2
202	I	30.8	Very low	34	Very low	151 Å²	151	124.4 Å²	124.4	77%	0.774	76%	0.762	S	S	*	*			trans	68.5	150.1	167.2	-68.9	173.6	0	0	0	119.4
203	L	30.8	Very low	34	Very low	167 Å²	167	126.7 Å²	126.7	87%	0.874	77%	0.766	S	S	*	*			trans	84.7	147	159.6	-92.8	167.7	0	0	0	123.1
204	A	32.1	Very low	34.1	Very low	93 Å²	93	127 Å²	127	77%	0.769	76%	0.758	S	S	*	*			trans	64.6	96.8	158.2	0	0	0	0	0	121.2
205	G	30	Very low	34.1	Very low	76 Å²	76	128.7 Å²	128.7	78%	0.784	76%	0.762	S	S	*	*				106.8	98.7	89	0	0	0	0	0	120.2
206	A	32.9	Very low	33.8	Very low	90 Å²	90	128.4 Å²	128.4	74%	0.744	76%	0.755	S	S	*	*			trans	68.7	133	144.7	0	0	0	0	0	122
207	D	33.5	Very low	33.9	Very low	149 Å²	149	125.7 Å²	125.7	80%	0.797	75%	0.753	S	S	*	*			trans	68	151.9	147.5	-63	-18.9	0	0	0	119.6
208	L	35.3	Very low	33.4	Very low	134 Å²	134	129.2 Å²	129.2	70%	0.702	76%	0.76	S	S	*	*			cis	-153.6	131.5	15.3	-157.9	58.5	0	0	0	113.8
209	I	37.2	Very low	33.2	Very low	117 Å²	117	125 Å²	125	60%	0.6	76%	0.757	S	S	*	*			trans	69.7	112.4	141.3	-74.7	-179.7	0	0	0	123.9
210	Q	37.6	Very low	33.3	Very low	134 Å²	134	129.7 Å²	129.7	63%	0.626	76%	0.76	S	S	*	*				68.5	159.3	127	-58.2	179.6	32.3	0	0	121.3
211	K	35.6	Very low	33.2	Very low	180 Å²	180	129.4 Å²	129.4	78%	0.783	75%	0.753	S	S	*	*			cis	-155.5	139.7	12.2	-148.5	161.9	-169.6	143.1	0	117
212	G	36.4	Very low	33.1	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	75%	0.752	S	S	*	*			trans	77.7	153.4	145.5	0	0	0	0	0	118.3
213	K	37.1	Very low	33.4	Very low	205 Å²	205	133.9 Å²	133.9	89%	0.891	76%	0.756	S	S	*	*			cis	-143.4	138.7	-13.6	-64	178	179.8	177.8	0	105.8
214	H	32.9	Very low	33.3	Very low	146 Å²	146	130.1 Å²	130.1	68%	0.676	75%	0.748	S	S	*	*			cis	80.3	107.1	36.2	-159.9	-68.2	0	0	0	115.5	N216	H214-N216 PolarHBondContact CE1-ND2 3.48Å; H214-N216 VanDerWaalsContact CE1-ND2 3.26Å; H214-N216 PolarHBondContact NE2-ND2 3.1Å
215	C	35.2	Very low	33.4	Very low	130 Å²	130	130 Å²	130	88%	0.878	75%	0.748	S	S	*	*			trans	-163.3	132.9	152.1	-114.8	0	0	0	0	108.7
216	N	30.3	Very low	33.7	Very low	107 Å²	107	136 Å²	136	57%	0.572	76%	0.755	S	S	*	*			trans	-139.9	-175.1	-163.1	-48	-7.9	0	0	0	111.8	H214	H214-N216 PolarHBondContact CE1-ND2 3.48Å; H214-N216 VanDerWaalsContact CE1-ND2 3.26Å; H214-N216 PolarHBondContact NE2-ND2 3.1Å
217	T	30.9	Very low	33.8	Very low	118 Å²	118	134.9 Å²	134.9	72%	0.724	75%	0.753	S	S	*	*			trans	87.8	142.7	141.3	24.6	0	0	0	0	123.2
218	E	30.9	Very low	34	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.813	76%	0.757	S	S	*	*			trans	79.1	93.4	144.7	-73.8	169.2	128.6	0	0	123
219	A	28.9	Very low	34	Very low	92 Å²	92	133.4 Å²	133.4	76%	0.76	76%	0.762	S	S	*	*				50.2	119.3	103.5	0	0	0	0	0	122.1
220	M	36	Very low	34.4	Very low	174 Å²	174	133.3 Å²	133.3	86%	0.857	77%	0.769	S	S	*	*			trans	-158.8	123.2	130.4	-93.5	-171.4	69.5	0	0	106.6
221	L	31.2	Very low	34.1	Very low	139 Å²	139	135 Å²	135	73%	0.728	78%	0.782	S	S	*	*				86	110.7	63.6	-81.7	177.8	0	0	0	115.7
222	Q	29.9	Very low	34	Very low	156 Å²	156	130.2 Å²	130.2	73%	0.729	78%	0.776	S	S	*	*			trans	73.1	150.9	142.2	-126.8	65.7	6.3	0	0	123.4
223	L	36.1	Very low	33.7	Very low	161 Å²	161	134.9 Å²	134.9	84%	0.843	78%	0.779	S	S	*	*			trans	93.1	96.4	171	-55.3	175.8	0	0	0	114.5
224	A	30	Very low	33.4	Very low	87 Å²	87	132 Å²	132	72%	0.719	77%	0.772	S	S	*	*			cis	76.8	106.5	25	0	0	0	0	0	116.3
225	A	34.6	Very low	33.5	Very low	91 Å²	91	130.6 Å²	130.6	75%	0.752	78%	0.776	S	S	*	*			trans	-164.8	133.8	149.4	0	0	0	0	0	111.2
226	E	36	Very low	33.3	Very low	201 Å²	201	132.3 Å²	132.3	94%	0.939	77%	0.771	S	S	*	*			trans	42.7	135.3	146.1	-62.7	169.5	-161	0	0	122.4
227	G	35.2	Very low	33.3	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	77%	0.774	S	S	*	*			cis	145	129.1	-15.5	0	0	0	0	0	115.8
228	S	36.5	Very low	33.2	Very low	125 Å²	125	134.3 Å²	134.3	87%	0.874	78%	0.776	S	S	*	*			trans	179.3	145.5	133.5	-81	0	0	0	0	111.8
229	P	36.2	Very low	33.1	Very low	126 Å²	126	133.1 Å²	133.1	82%	0.818	78%	0.776	S	S	*	*			trans	-133	-149.4	-155.5	50.7	-31.1	0	0	0	111.8
230	P	44.2	Very low	33.3	Very low	116 Å²	116	132 Å²	132	75%	0.753	77%	0.773	S	S	*	*			trans	-120.7	172.2	-143.1	29.3	-4.7	0	0	0	116.3
231	L	32.6	Very low	33.3	Very low	170 Å²	170	130 Å²	130	89%	0.89	77%	0.77	S	S	*	*			trans	178.4	153.8	161.6	-96.7	154.6	0	0	0	107.3
232	A	34	Very low	33.2	Very low	79 Å²	79	128.5 Å²	128.5	65%	0.653	77%	0.771	S	S	*	*			cis	-148.1	137.4	-5.5	0	0	0	0	0	112.6
233	Q	28.7	Very low	33.4	Very low	167 Å²	167	126.4 Å²	126.4	78%	0.78	77%	0.774	S	S	*	*			trans	10.1	133.3	139.5	-66.6	177.3	-35.7	0	0	123.1
234	L	31.7	Very low	33.5	Very low	144 Å²	144	123.7 Å²	123.7	75%	0.754	77%	0.769	S	S	*	*			trans	70.1	168	135.3	-90.3	81.7	0	0	0	119.6
235	P	35.2	Very low	33.7	Very low	118 Å²	118	125.5 Å²	125.5	77%	0.766	77%	0.773	S	S	*	*			cis	-120.4	169.6	4.4	40.7	-27.5	0	0	0	117.3
236	H	31.4	Very low	33.5	Very low	166 Å²	166	125 Å²	125	77%	0.769	77%	0.769	S	S	*	*			trans	-80.5	-166.8	164.6	-63.5	-99.8	0	0	0	111.7
237	S	28.4	Very low	33.3	Very low	91 Å²	91	122.5 Å²	122.5	64%	0.636	76%	0.762	S	S	*	*			trans	91.8	151.8	163.1	82.8	0	0	0	0	116.3
238	F	29.2	Very low	33.1	Very low	175 Å²	175	127 Å²	127	77%	0.768	77%	0.767	S	S	*	*			cis	-130.8	140.3	8.2	-98.4	-73.7	0	0	0	114.4
239	D	29.4	Very low	32.9	Very low	150 Å²	150	125.7 Å²	125.7	80%	0.802	76%	0.758	S	S	*	*			trans	27	145.2	139.8	-61.3	-5	0	0	0	123.9
240	G	32.6	Very low	32.7	Very low	69 Å²	69	125.1 Å²	125.1	71%	0.711	75%	0.747	S	S	*	*			trans	-166.9	39.9	178	0	0	0	0	0	117.9
241	V	35.5	Very low	32	Very low	130 Å²	130	125 Å²	125	79%	0.788	75%	0.75	S	S	*	*			trans	57.8	101.2	157.5	-174	0	0	0	0	116.2
242	S	29.4	Very low	31.9	Very low	108 Å²	108	127.1 Å²	127.1	76%	0.755	75%	0.746	S	S	*	*				54.8	145.6	91	105.1	0	0	0	0	115.7
243	S	34.6	Very low	31.5	Very low	113 Å²	113	131 Å²	131	79%	0.79	76%	0.755	S	S	*	*			cis	-157	168.4	22.1	39.2	0	0	0	0	112.3
244	S	37	Very low	31.5	Very low	103 Å²	103	127 Å²	127	72%	0.72	75%	0.751	S	S	*	*			trans	-86.1	171.4	179.5	62	0	0	0	0	113.2
245	P	35.9	Very low	31.2	Very low	125 Å²	125	129.3 Å²	129.3	81%	0.812	76%	0.758	S	S	*	*				-121.2	158.2	67.4	7	16.3	0	0	0	112.7
246	A	30.4	Very low	30.9	Very low	81 Å²	81	131.3 Å²	131.3	67%	0.669	76%	0.761	S	S	*	*			cis	94.5	138.6	31	0	0	0	0	0	114.6
247	D	30.1	Very low	30.9	Very low	149 Å²	149	128.9 Å²	128.9	80%	0.797	76%	0.761	S	S	*	*			trans	63.6	148.5	-176.1	-74.2	-46.3	0	0	0	117.3
248	M	32.3	Very low	30.8	Very low	161 Å²	161	129.3 Å²	129.3	79%	0.793	76%	0.764	S	S	*	*			cis	-117.9	117.1	22.7	-174	173.8	70.3	0	0	114.2	L250	M248-L250 HydrophobicContact CG-CD1 4.19Å; M248-L250 HydrophobicContact CG-CG 4.08Å; M248-L250 HydrophobicContact SD-CD1 4Å
249	S	31.4	Very low	30.9	Very low	99 Å²	99	128.5 Å²	128.5	69%	0.692	76%	0.762	S	S	*	*			trans	-97	129	166	-52.7	0	0	0	0	109.5
250	L	32.1	Very low	30.9	Very low	113 Å²	113	128.1 Å²	128.1	59%	0.592	76%	0.76	S	S	*	*			trans	-141.8	95.9	170.5	-73.7	-178.8	0	0	0	112.7	M248 W252	M248-L250 HydrophobicContact CG-CD1 4.19Å; M248-L250 HydrophobicContact CG-CG 4.08Å; M248-L250 HydrophobicContact SD-CD1 4Å; L250-W252 HydrophobicContact CB-CZ2 4.3Å; L250-W252 HydrophobicContact CD1-CZ2 3.81Å
251	S	29.8	Very low	30.9	Very low	115 Å²	115	128.3 Å²	128.3	80%	0.804	76%	0.762	S	S	*	*			trans	-90.8	136.7	151.9	52.8	0	0	0	0	109.1
252	W	31.7	Very low	30.6	Very low	214 Å²	214	128.3 Å²	128.3	81%	0.811	76%	0.762	S	S	*	*			trans	-128.3	128.9	168	-40.5	-49.5	0	0	0	110.8	L250	L250-W252 HydrophobicContact CB-CZ2 4.3Å; L250-W252 HydrophobicContact CD1-CZ2 3.81Å
253	D	25.2	Very low	30.7	Very low	160 Å²	160	130.1 Å²	130.1	86%	0.856	76%	0.763	S	S	*	*			trans	-80.2	171.4	164.6	-87	-66.9	0	0	0	111.7
254	A	27.5	Very low	30.7	Very low	84 Å²	84	128.2 Å²	128.2	69%	0.694	75%	0.748	S	S	*	*			trans	56.9	120	151.8	0	0	0	0	0	117.7
255	Q	27.1	Very low	30.4	Very low	191 Å²	191	127.3 Å²	127.3	89%	0.893	74%	0.741	S	S	*	*				-171.7	164.2	62.2	-127.3	157.2	-24.2	0	0	113
256	L	28.4	Very low	30.1	Very low	160 Å²	160	128.1 Å²	128.1	84%	0.838	73%	0.734	S	S	*	*			trans	-61.1	158.3	164.1	-82.4	158.2	0	0	0	111.7
257	P	30.8	Very low	30	Very low	116 Å²	116	132.5 Å²	132.5	75%	0.753	74%	0.738	S	S	*	*			cis	-141.6	165	35.9	41.5	-23.2	0	0	0	119.2
258	S	27.2	Very low	30	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	74%	0.741	S	S	*	*			trans	21.5	122	139.3	-151.7	0	0	0	0	118.4
259	E	30.7	Very low	29.9	Very low	158 Å²	158	134.4 Å²	134.4	74%	0.738	74%	0.744	S	S	*	*				-166.1	153.8	68.6	-90.2	-161.6	106.5	0	0	114.5
260	N	29.1	Very low	29.7	Very low	142 Å²	142	134.6 Å²	134.6	76%	0.759	75%	0.745	S	S	*	*			trans	41	115	147.2	-51.9	-34.3	0	0	0	121
261	G	32.7	Very low	29.5	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	76%	0.759	S	S	*	*			trans	-170.5	5.1	176.5	0	0	0	0	0	122.5
262	T	29.7	Very low	29.4	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	76%	0.757	S	S	*	*			trans	38.3	91.6	156.5	-54.1	0	0	0	0	118.9
263	L	31.4	Very low	29.2	Very low	147 Å²	147	133.8 Å²	133.8	77%	0.77	75%	0.754	S	S	*	*				92.3	163.4	99	-84.5	169.5	0	0	0	115.7
264	P	33.9	Very low	29.4	Very low	72 Å²	72	133.1 Å²	133.1	47%	0.468	75%	0.745	S	S	.	*				-136.9	178.1	-123.6	46.3	-29.5	0	0	0	118.4
265	S	30.5	Very low	29.4	Very low	84 Å²	84	136.4 Å²	136.4	59%	0.587	74%	0.744	S	S	*	*			trans	33.5	111.5	146.2	65.9	0	0	0	0	121.6
266	Q	29.6	Very low	29.4	Very low	142 Å²	142	134.1 Å²	134.1	66%	0.664	74%	0.743	S	S	*	*			trans	-157	-175.8	132	-132.3	-166.1	85.1	0	0	113.2
267	K	27.8	Very low	29.5	Very low	173 Å²	173	131.7 Å²	131.7	75%	0.752	74%	0.735	S	S	*	*			trans	-39.5	135.4	-178	-61.7	166.3	176.7	173	0	116.5
268	E	31	Very low	29.7	Very low	184 Å²	184	132.7 Å²	132.7	86%	0.86	73%	0.733	S	S	*	*			trans	-169.4	159.9	136.1	-103.3	151.7	-149.2	0	0	105.8
269	I	31.1	Very low	29.8	Very low	166 Å²	166	130.4 Å²	130.4	85%	0.851	72%	0.716	S	S	*	*			cis	-122.1	129.2	36.4	-63.6	158.7	0	0	0	111.1
270	S	27.3	Very low	29.8	Very low	103 Å²	103	125 Å²	125	72%	0.72	70%	0.696	S	S	*	*	S	Bend	trans	-149.4	135.6	160.7	-66.4	0	0	0	0	108.2
271	E	27.6	Very low	29.9	Very low	189 Å²	189	127.5 Å²	127.5	88%	0.883	70%	0.699	S	S	*	*			trans	51.3	84	153.4	-160.4	158.7	-134.7	0	0	118.5
272	A	27.2	Very low	29.9	Very low	92 Å²	92	129.8 Å²	129.8	76%	0.76	70%	0.701	S	S	*	*			trans	-138.1	132.5	162.1	0	0	0	0	0	109.9
273	I	27.2	Very low	30	Very low	145 Å²	145	128.4 Å²	128.4	74%	0.744	70%	0.702	S	S	*	*				79.9	122.7	50.6	-66.5	169.1	0	0	0	109.9
274	E	28.9	Very low	29.9	Very low	145 Å²	145	126.2 Å²	126.2	68%	0.678	71%	0.706	S	S	*	*			cis	-155.8	-173.1	6.7	-131.2	-174.8	149.1	0	0	116.8
275	K	27.8	Very low	30.4	Very low	154 Å²	154	128.4 Å²	128.4	67%	0.67	72%	0.718	S	S	*	*			trans	-68.6	156.4	-174	-43.3	129.4	-173.6	165.7	0	115.3
276	V	28.1	Very low	31.2	Very low	142 Å²	142	128.6 Å²	128.6	86%	0.861	71%	0.713	S	S	*	*			trans	-142.5	92.9	132	-176.1	0	0	0	0	106.4
277	V	29.4	Very low	31.9	Very low	110 Å²	110	126.9 Å²	126.9	67%	0.667	71%	0.711	S	S	*	*				77.3	144	92.4	174.4	0	0	0	0	113.1	E176	E176-V277 WeakPolarHBondContact OE1-CG1 3.26Å
278	L	35.1	Very low	32.9	Very low	137 Å²	137	123.7 Å²	123.7	72%	0.717	70%	0.703	S	S	*	*			trans	-125.9	-100.6	-135.9	-129.1	-172.7	0	0	0	117.3	E176	E176-L278 PolarHBondContact OE1-N 3.25Å
279	P	30.1	Very low	34.2	Very low	52 Å²	52	117 Å²	117	34%	0.338	68%	0.679	S	S	.	*				-76.2	-138.4	-94.6	16.8	-16.3	0	0	0	116.1	F175 E176	F175-P279 VanDerWaalsContact C-C 3.44Å; F175-P279 CarbonylContact C-O 3.18Å; F175-P279 WeakPolarHBondContact CA-O 3.09Å; F175-P279 PolarHBondContact N-O 2.78Å; F175-P279 CarbonylContact O-C 2.95Å; E176-P279 WeakPolarHBondContact OE1-CD 3.42Å
280	S	30.2	Very low	35.7	Very low	45 Å²	45	112.6 Å²	112.6	32%	0.315	66%	0.66	S	S	.	*			cis	-155	156.2	-0.2	-39.5	0	0	0	0	112.7	F175	F175-S280 VanDerWaalsContact O-CB 3.29Å; F175-S280 WeakPolarHBondContact O-CB 3.17Å; F175-S280 PolarHBondContact O-N 3.21Å; F175-S280 PolarHBondContact O-OG 3.2Å
281	K	32.5	Very low	36.8	Very low	193 Å²	193	112.2 Å²	112.2	84%	0.839	65%	0.649	S	S	*	*			trans	-43.8	155.5	162.1	-92	171.3	179.9	175.5	0	116
282	P	31.4	Very low	38.4	Very low	122 Å²	122	108 Å²	108	79%	0.792	63%	0.629	S	S	*	*				-146.5	175.1	72.6	42.9	-26.3	0	0	0	119
283	A	31.8	Very low	40.1	Very low	99 Å²	99	108.9 Å²	108.9	82%	0.818	62%	0.616	S	S	*	*			trans	71.5	146.6	161.6	0	0	0	0	0	118.7
284	A	30.4	Very low	41.6	Very low	102 Å²	102	106.9 Å²	106.9	84%	0.843	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-97.8	128.1	-180	0	0	0	0	0	110.7
285	T	42.9	Very low	42.7	Very low	118 Å²	118	106.2 Å²	106.2	72%	0.724	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-98.9	120	168.9	-47	0	0	0	0	108.6	V287 V290	T285-V287 PolarHBondContact O-N 3.36Å; T285-V290 HydrophobicContact CG2-CG2 4.26Å
286	D	48	Very low	43.8	Very low	88 Å²	88	105.9 Å²	105.9	47%	0.471	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-62.3	129.3	-176.1	173.5	20.5	0	0	0	111.8	N288 A289 V290	D286-N288 PolarHBondContact O-N 2.86Å; D286-N288 WeakPolarHBondContact OD1-CB 3.3Å; D286-N288 PolarHBondContact OD1-N 3.41Å; D286-N288 PolarHBondContact OD1-ND2 2.94Å; D286-N288 WeakPolarHBondContact OD2-CB 3.34Å; D286-A289 HydrophobicContact CB-CB 3.88Å; D286-A289 WeakPolarHBondContact O-CA 3.44Å; D286-A289 WeakPolarHBondContact O-CB 3.32Å; D286-A289 PolarHBondContact O-N 2.83Å; D286-A289 PolarHBondContact OD2-N 2.94Å; D286-V290 PolarHBondContact O-N 2.86Å
287	V	44.9	Very low	44.8	Very low	105 Å²	105	105 Å²	105	64%	0.636	59%	0.588	S	S	*	*	H	α-helix	trans	-63.7	-30.4	177.2	-179.1	0	0	0	0	111	T285 V290 L291	T285-V287 PolarHBondContact O-N 3.36Å; V287-V290 PolarHBondContact O-N 2.79Å; V287-L291 HydrophobicContact CG1-CD1 4.25Å; V287-L291 WeakPolarHBondContact O-CB 3.18Å; V287-L291 WeakPolarHBondContact O-CG 3.18Å; V287-L291 PolarHBondContact O-N 2.86Å
288	N	48.8	Very low	45.6	Very low	107 Å²	107	103.9 Å²	103.9	57%	0.572	59%	0.59	S	S	*	*	H	α-helix	trans	-71	-30.2	170.6	-66.2	-77.2	0	0	0	112.3	D286 Q292	D286-N288 PolarHBondContact O-N 2.86Å; D286-N288 WeakPolarHBondContact OD1-CB 3.3Å; D286-N288 PolarHBondContact OD1-N 3.41Å; D286-N288 PolarHBondContact OD1-ND2 2.94Å; D286-N288 WeakPolarHBondContact OD2-CB 3.34Å; N288-Q292 VanDerWaalsContact O-CB 3.24Å; N288-Q292 WeakPolarHBondContact O-CB 3.37Å; N288-Q292 WeakPolarHBondContact O-CG 3.49Å; N288-Q292 PolarHBondContact O-N 2.75Å
289	A	56.9	Low	45.7	Very low	44 Å²	44	99.5 Å²	99.5	36%	0.364	58%	0.577	S	S	.	*	H	α-helix	trans	-69.8	-35.9	172.8	0	0	0	0	0	111.6	D286 K293	D286-A289 HydrophobicContact CB-CB 3.88Å; D286-A289 WeakPolarHBondContact O-CA 3.44Å; D286-A289 WeakPolarHBondContact O-CB 3.32Å; D286-A289 PolarHBondContact O-N 2.83Å; D286-A289 PolarHBondContact OD2-N 2.94Å; A289-K293 WeakPolarHBondContact O-CB 3.33Å; A289-K293 PolarHBondContact O-N 2.84Å
290	V	63.3	Low	45.8	Very low	73 Å²	73	105.7 Å²	105.7	44%	0.442	60%	0.602	S	S	.	*	H	α-helix	trans	-68.9	-44.6	172.8	179.9	0	0	0	0	111.4	T285 D286 V287 K293 L294	T285-V290 HydrophobicContact CG2-CG2 4.26Å; D286-V290 PolarHBondContact O-N 2.86Å; V287-V290 PolarHBondContact O-N 2.79Å; V290-K293 PolarHBondContact O-N 2.97Å; V290-L294 PolarHBondContact O-N 2.84Å
291	L	50.1	Low	46.1	Very low	94 Å²	94	110.9 Å²	110.9	49%	0.492	63%	0.631	S	S	.	*	H	α-helix	trans	-64.2	-41.4	174.9	-77.5	166.4	0	0	0	112.2	V287 K293 L294 L295	V287-L291 HydrophobicContact CG1-CD1 4.25Å; V287-L291 WeakPolarHBondContact O-CB 3.18Å; V287-L291 WeakPolarHBondContact O-CG 3.18Å; V287-L291 PolarHBondContact O-N 2.86Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.08Å; L291-L294 PolarHBondContact O-N 3.38Å; L291-L295 WeakPolarHBondContact O-CB 3.4Å; L291-L295 PolarHBondContact O-N 2.9Å
292	Q	61.1	Low	46.1	Very low	101 Å²	101	108.7 Å²	108.7	47%	0.472	63%	0.629	S	S	.	*	H	α-helix	trans	-70.1	-25.8	172.6	-77.3	-155.2	6.6	0	0	113.4	N288 R296	N288-Q292 VanDerWaalsContact O-CB 3.24Å; N288-Q292 WeakPolarHBondContact O-CB 3.37Å; N288-Q292 WeakPolarHBondContact O-CG 3.49Å; N288-Q292 PolarHBondContact O-N 2.75Å; Q292-R296 WeakPolarHBondContact O-CB 3.46Å; Q292-R296 PolarHBondContact O-N 2.84Å
293	K	63.7	Low	46.1	Very low	111 Å²	111	106.7 Å²	106.7	48%	0.483	62%	0.622	S	S	.	*	H	α-helix	trans	-69.5	-45	172	-174.7	173.5	179.3	-71.5	0	110.1	A289 V290 L291 L295 R296 E297	A289-K293 WeakPolarHBondContact O-CB 3.33Å; A289-K293 PolarHBondContact O-N 2.84Å; V290-K293 PolarHBondContact O-N 2.97Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.08Å; K293-L295 VanDerWaalsContact C-N 3.31Å; K293-L295 PolarHBondContact O-N 2.93Å; K293-R296 CarbonylContact O-C 3.58Å; K293-R296 PolarHBondContact O-N 3.23Å; K293-R296 VanDerWaalsContact O-N 3.12Å; K293-E297 WeakPolarHBondContact CE-OE1 3.33Å; K293-E297 HydrophobicContact CG-CG 4.43Å; K293-E297 WeakPolarHBondContact CG-OE2 3.36Å; K293-E297 IonicContact NZ-OE1 2.74Å; K293-E297 PolarHBondContact NZ-OE1 3.41Å; K293-E297 IonicContact NZ-OE2 2.72Å; K293-E297 PolarHBondContact NZ-OE2 2.87Å; K293-E297 WeakPolarHBondContact O-CB 3.39Å; K293-E297 WeakPolarHBondContact O-CG 3.48Å; K293-E297 PolarHBondContact O-N 3.03Å
294	L	57.6	Low	46.2	Very low	103 Å²	103	112 Å²	112	54%	0.539	63%	0.627	S	S	.	*	H	α-helix	trans	-63.3	-34.5	172.4	-71.5	168.5	0	0	0	112.7	V290 L291 A298	V290-L294 PolarHBondContact O-N 2.84Å; L291-L294 PolarHBondContact O-N 3.38Å; L294-A298 VanDerWaalsContact O-CB 3.27Å; L294-A298 WeakPolarHBondContact O-CB 3.44Å; L294-A298 PolarHBondContact O-N 3.2Å
295	L	53.1	Low	46.4	Very low	131 Å²	131	114.6 Å²	114.6	69%	0.686	63%	0.626	S	S	*	*	H	α-helix	trans	-74	-20.4	173.1	-80.8	158.5	0	0	0	114.2	L291 K293	L291-L295 WeakPolarHBondContact O-CB 3.4Å; L291-L295 PolarHBondContact O-N 2.9Å; K293-L295 VanDerWaalsContact C-N 3.31Å; K293-L295 PolarHBondContact O-N 2.93Å
296	R	50	Low	46.1	Very low	146 Å²	146	114.2 Å²	114.2	55%	0.551	63%	0.626	S	S	*	*	H	α-helix	trans	-90.1	-27.4	169.4	-83.2	-174.2	-79.4	-84.3	2.3	113.2	Q292 K293 G299	Q292-R296 WeakPolarHBondContact O-CB 3.46Å; Q292-R296 PolarHBondContact O-N 2.84Å; K293-R296 CarbonylContact O-C 3.58Å; K293-R296 PolarHBondContact O-N 3.23Å; K293-R296 VanDerWaalsContact O-N 3.12Å; R296-G299 CarbonylContact O-C 3.48Å; R296-G299 PolarHBondContact O-N 2.94Å
297	E	49.7	Very low	45.4	Very low	125 Å²	125	117.4 Å²	117.4	58%	0.584	64%	0.638	S	S	*	*	H	α-helix	trans	-78.9	-13.8	172.5	-70.6	176	144.9	0	0	111.8	K293	K293-E297 WeakPolarHBondContact CE-OE1 3.33Å; K293-E297 HydrophobicContact CG-CG 4.43Å; K293-E297 WeakPolarHBondContact CG-OE2 3.36Å; K293-E297 IonicContact NZ-OE1 2.74Å; K293-E297 PolarHBondContact NZ-OE1 3.41Å; K293-E297 IonicContact NZ-OE2 2.72Å; K293-E297 PolarHBondContact NZ-OE2 2.87Å; K293-E297 WeakPolarHBondContact O-CB 3.39Å; K293-E297 WeakPolarHBondContact O-CG 3.48Å; K293-E297 PolarHBondContact O-N 3.03Å
298	A	45.8	Very low	44.7	Very low	86 Å²	86	121.3 Å²	121.3	71%	0.711	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	2.8	169.4	0	0	0	0	0	114.4	L294	L294-A298 VanDerWaalsContact O-CB 3.27Å; L294-A298 WeakPolarHBondContact O-CB 3.44Å; L294-A298 PolarHBondContact O-N 3.2Å
299	G	36.6	Very low	43.9	Very low	44 Å²	44	121.8 Å²	121.8	45%	0.454	64%	0.64	S	S	.	*	S	Bend	trans	-177	136.1	176.1	0	0	0	0	0	114	R296	R296-G299 CarbonylContact O-C 3.48Å; R296-G299 PolarHBondContact O-N 2.94Å
300	E	33	Very low	42.9	Very low	183 Å²	183	127.1 Å²	127.1	86%	0.855	66%	0.657	S	S	*	*			trans	84.6	90.4	178.2	-160.2	171.8	-130.7	0	0	116.6
301	V	36.3	Very low	41.5	Very low	153 Å²	153	129.7 Å²	129.7	93%	0.927	67%	0.673	S	S	*	*			trans	-131.7	104.4	146.8	-179.8	0	0	0	0	107.4
302	D	32.7	Very low	40.8	Very low	148 Å²	148	130 Å²	130	79%	0.791	69%	0.689	S	S	*	*			trans	-113.6	171	175.3	-156	-12.4	0	0	0	110.4
303	A	32.3	Very low	39.5	Very low	79 Å²	79	128.2 Å²	128.2	65%	0.653	70%	0.698	S	S	*	*			trans	-56.9	146	-158.2	0	0	0	0	0	117.8
304	K	33.6	Very low	38.2	Very low	210 Å²	210	129.1 Å²	129.1	91%	0.913	71%	0.713	S	S	*	*				-166.3	153.3	112.3	-106.1	163.8	-173.8	175.8	0	116
305	L	34	Very low	37.3	Very low	158 Å²	158	129.4 Å²	129.4	83%	0.827	72%	0.721	S	S	*	*			trans	-82.4	172.3	174.1	-128.1	88.5	0	0	0	112
306	P	37.5	Very low	36.5	Very low	110 Å²	110	128.7 Å²	128.7	71%	0.714	73%	0.727	S	S	*	*				-139.7	155.9	107.4	38.1	-27.1	0	0	0	115.5
307	E	31.9	Very low	35.6	Very low	155 Å²	155	127.6 Å²	127.6	72%	0.724	74%	0.74	S	S	*	*			trans	31.7	143.6	147.6	-56.4	-169.3	111.2	0	0	120.8
308	R	31.2	Very low	35.2	Very low	186 Å²	186	126.5 Å²	126.5	70%	0.702	74%	0.744	S	S	*	*			cis	-164.6	167.4	18.5	-133.8	167.5	138	137.5	-6.4	106.5
309	E	31.3	Very low	34.6	Very low	117 Å²	117	130.8 Å²	130.8	55%	0.547	75%	0.749	S	S	.	*			cis	-164.8	141.4	18.4	-174	146.5	-137.9	0	0	111
310	Q	35.8	Very low	34.4	Very low	157 Å²	157	139.2 Å²	139.2	73%	0.734	77%	0.767	S	S	*	*			trans	57.9	137.5	163.3	-66.8	168.2	51.7	0	0	118.8
311	T	34	Very low	34.7	Very low	127 Å²	127	136.4 Å²	136.4	78%	0.779	76%	0.763	S	S	*	*			cis	-173.2	157.7	-2.5	25.2	0	0	0	0	106.4
312	A	35.7	Very low	34.5	Very low	99 Å²	99	134.3 Å²	134.3	82%	0.818	76%	0.755	S	S	*	*			cis	-166.5	-152.4	-10.6	0	0	0	0	0	106.8
313	G	34.8	Very low	35	Very low	65 Å²	65	133.1 Å²	133.1	67%	0.67	76%	0.755	S	S	*	*			trans	125.5	13.3	156.7	0	0	0	0	0	120.7
314	T	35.9	Very low	35.1	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	77%	0.766	S	S	*	*			trans	13.7	143.9	139.7	-24.3	0	0	0	0	120
315	P	38	Very low	34.9	Very low	109 Å²	109	138.7 Å²	138.7	71%	0.708	77%	0.765	S	S	*	*			cis	-144.5	-167.9	-34.7	44.6	-27.7	0	0	0	115.8
316	S	36.9	Very low	35.1	Very low	117 Å²	117	137 Å²	137	82%	0.818	76%	0.764	S	S	*	*			trans	117.4	161	143	78.2	0	0	0	0	120.5
317	C	30	Very low	35	Very low	122 Å²	122	136.3 Å²	136.3	82%	0.824	77%	0.767	S	S	*	*			trans	-171	-174.1	-155	-116.8	0	0	0	0	110
318	P	41.8	Very low	35.4	Very low	102 Å²	102	134.5 Å²	134.5	66%	0.662	77%	0.769	S	S	*	*			cis	-134.6	-163.2	-45.8	33.2	-11.2	0	0	0	113.9
319	Q	34.2	Very low	35.5	Very low	176 Å²	176	133 Å²	133	82%	0.822	78%	0.775	S	S	*	*			trans	80.6	155	167.3	-50.7	-176.4	-8.1	0	0	116.7
320	R	32.4	Very low	35.9	Very low	221 Å²	221	132.7 Å²	132.7	83%	0.834	78%	0.783	S	S	*	*			cis	-169.2	172.7	33.2	-161.3	-172.1	-166.4	-172.3	6.1	113.1
321	V	37.7	Very low	35.9	Very low	125 Å²	125	131.8 Å²	131.8	76%	0.758	79%	0.788	S	S	*	*			trans	91.3	158.4	160.9	-167	0	0	0	0	117.9
322	S	32.3	Very low	36	Very low	109 Å²	109	132 Å²	132	76%	0.762	79%	0.789	S	S	*	*			trans	-143.8	-151.7	-161.9	-49	0	0	0	0	113.3
323	P	44.5	Very low	36.2	Very low	122 Å²	122	133.4 Å²	133.4	79%	0.792	79%	0.79	S	S	*	*				-128.4	179	-120.4	40.7	-21	0	0	0	117.9
324	L	34	Very low	36.1	Very low	169 Å²	169	137.1 Å²	137.1	89%	0.885	79%	0.794	S	S	*	*			trans	-158.2	161.1	159	-150.1	59.7	0	0	0	114.8
325	W	29.5	Very low	35.9	Very low	237 Å²	237	138.5 Å²	138.5	90%	0.898	79%	0.789	S	S	*	*			trans	-97.2	-171.6	178.4	-79.5	-64.3	0	0	0	112.5
326	P	38.8	Very low	35.6	Very low	124 Å²	124	138.3 Å²	138.3	81%	0.805	78%	0.782	S	S	*	*			cis	-134.4	-163.5	2.7	33	-7.6	0	0	0	116.7
327	A	34.3	Very low	35.5	Very low	94 Å²	94	140.8 Å²	140.8	78%	0.777	78%	0.778	S	S	*	*			trans	-96.3	-166.9	-177.7	0	0	0	0	0	113.1
328	P	40.7	Very low	35.6	Very low	118 Å²	118	143 Å²	143	77%	0.766	78%	0.777	S	S	*	*			cis	-143.9	176.1	27.1	44.5	-23.6	0	0	0	120.1
329	D	33.2	Very low	35.2	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	77%	0.768	S	S	*	*			trans	2.4	165.9	148.9	-71.6	-22.5	0	0	0	124
330	P	39.8	Very low	35.3	Very low	111 Å²	111	142 Å²	142	72%	0.721	77%	0.768	S	S	*	*			cis	-136.2	-165.1	-5.5	28.4	-3.4	0	0	0	115.7
331	V	35.9	Very low	35.4	Very low	138 Å²	138	136.5 Å²	136.5	84%	0.836	76%	0.762	S	S	*	*			trans	114.8	140.6	155.9	-177.1	0	0	0	0	116.8
332	V	36.6	Very low	35.2	Very low	131 Å²	131	136.9 Å²	136.9	79%	0.794	77%	0.765	S	S	*	*			trans	-103.1	139.2	-169.9	169.1	0	0	0	0	111.5
333	P	39.2	Very low	35.6	Very low	129 Å²	129	137.2 Å²	137.2	84%	0.838	76%	0.762	S	S	*	*				-137.2	-169	121.9	38.1	-25.4	0	0	0	113.4
334	N	31.7	Very low	35.4	Very low	143 Å²	143	136.4 Å²	136.4	77%	0.765	76%	0.757	S	S	*	*			trans	-114.2	152	-155.3	-164.5	9.1	0	0	0	113.6
335	K	32	Very low	35.6	Very low	158 Å²	158	135 Å²	135	69%	0.687	75%	0.75	S	S	*	*			trans	82.3	138.7	146.9	-104.1	-176.2	160.9	-148	0	124
336	D	33	Very low	36.1	Very low	105 Å²	105	129.1 Å²	129.1	56%	0.561	74%	0.741	S	S	*	*			trans	88	142	144	-60.4	-30	0	0	0	122.5
337	F	33.7	Very low	35.9	Very low	168 Å²	168	128.4 Å²	128.4	74%	0.737	73%	0.734	S	S	*	*			trans	90.6	109.8	159.6	-56.4	-60.4	0	0	0	123.5
338	H	32.6	Very low	36.1	Very low	170 Å²	170	131.4 Å²	131.4	79%	0.787	73%	0.732	S	S	*	*			trans	69.3	153.7	131.2	-69.1	-44	0	0	0	121.3
339	S	33.6	Very low	35.8	Very low	70 Å²	70	134 Å²	134	49%	0.49	73%	0.734	S	S	.	*			cis	-174.2	176.3	-18.1	-178.5	0	0	0	0	110.2
340	F	35.5	Very low	35.7	Very low	186 Å²	186	129.7 Å²	129.7	82%	0.816	73%	0.726	S	S	*	*			trans	73.6	157.6	161.7	-53.8	-61.3	0	0	0	117.7
341	C	34.3	Very low	35.4	Very low	105 Å²	105	135.8 Å²	135.8	71%	0.709	73%	0.734	S	S	*	*			cis	-168.8	178.3	-37.5	-110.2	0	0	0	0	106.5
342	T	34.8	Very low	35.2	Very low	134 Å²	134	133 Å²	133	82%	0.822	72%	0.721	S	S	*	*				-170.6	161.3	57.8	-60.6	0	0	0	0	111.1
343	V	39	Very low	35	Very low	116 Å²	116	134.1 Å²	134.1	70%	0.703	72%	0.717	S	S	*	*			trans	-91	-176.2	-179.7	-147.5	0	0	0	0	111.4
344	P	41.1	Very low	34.6	Very low	105 Å²	105	135.3 Å²	135.3	68%	0.682	72%	0.716	S	S	*	*				-143.2	138.6	92.1	39.5	-23.2	0	0	0	113.8
345	D	38.1	Very low	34.5	Very low	138 Å²	138	133.8 Å²	133.8	74%	0.738	72%	0.716	S	S	*	*				72.4	152	101	-66.9	-38.4	0	0	0	115.8
346	T	40.3	Very low	34.5	Very low	115 Å²	115	130.7 Å²	130.7	71%	0.706	72%	0.72	S	S	*	*			cis	-163.7	165.5	2.1	17.8	0	0	0	0	107.8
347	T	35.5	Very low	34.4	Very low	108 Å²	108	136.4 Å²	136.4	66%	0.663	73%	0.733	S	S	*	*			cis	-171.8	153.1	-27.7	26.3	0	0	0	0	108.7
348	H	36.7	Very low	34.2	Very low	157 Å²	157	135.7 Å²	135.7	73%	0.727	73%	0.734	S	S	*	*			trans	65.1	158.6	164.9	-78.8	-125.8	0	0	0	117
349	E	35.5	Very low	34.3	Very low	173 Å²	173	132.4 Å²	132.4	81%	0.808	73%	0.73	S	S	*	*			cis	-157.1	169.2	-22.8	-117.3	177.5	140.7	0	0	104.9
350	G	32	Very low	34.7	Very low	63 Å²	63	134.2 Å²	134.2	65%	0.649	74%	0.741	S	S	*	*			cis	162.8	145.6	3.8	0	0	0	0	0	110
351	R	31.6	Very low	34.6	Very low	240 Å²	240	130.8 Å²	130.8	91%	0.906	74%	0.74	S	S	*	*			trans	76.2	105.3	151.2	-157.5	166.1	-169.2	-172.5	3.7	122.2
352	S	31.9	Very low	34.6	Very low	78 Å²	78	129 Å²	129	55%	0.545	73%	0.732	S	S	.	*				93.4	126.8	126.8	-76.8	0	0	0	0	125.2
353	H	32.9	Very low	34.8	Very low	156 Å²	156	131.5 Å²	131.5	72%	0.722	74%	0.735	S	S	*	*				74.8	106.4	128.6	-61.6	-39.9	0	0	0	123.7
354	L	31.6	Very low	34.5	Very low	154 Å²	154	129.9 Å²	129.9	81%	0.806	73%	0.733	S	S	*	*				83.8	148.5	120.4	-67.2	172.6	0	0	0	121.3
355	S	29.7	Very low	34	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	74%	0.742	S	S	*	*			trans	79.3	98.6	154.3	-65.5	0	0	0	0	120.8
356	A	31.5	Very low	33.7	Very low	93 Å²	93	133.4 Å²	133.4	77%	0.769	75%	0.748	S	S	*	*				90.8	110.9	109.3	0	0	0	0	0	121.4
357	R	30.6	Very low	33.2	Very low	225 Å²	225	133.4 Å²	133.4	85%	0.849	75%	0.753	S	S	*	*				96.5	112.7	114.2	-166.6	178.2	-166.5	-130.9	2.9	120.3
358	M	30.4	Very low	33.3	Very low	153 Å²	153	133.9 Å²	133.9	75%	0.754	76%	0.758	S	S	*	*			trans	71.6	109.4	149	-64.2	-74	166.6	0	0	120.4
359	S	33.2	Very low	32.9	Very low	101 Å²	101	133.6 Å²	133.6	71%	0.706	77%	0.767	S	S	*	*				26.8	165.1	104.9	-34.7	0	0	0	0	121.1
360	P	41.7	Very low	32.8	Very low	108 Å²	108	130.1 Å²	130.1	70%	0.701	76%	0.762	S	S	*	*			cis	-139.2	167.6	-0.7	41.3	-23.9	0	0	0	117.7
361	S	33.6	Very low	32.7	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	77%	0.772	S	S	*	*			trans	58.8	167.5	147	71.6	0	0	0	0	119.9
362	A	36	Very low	32.8	Very low	67 Å²	67	128.5 Å²	128.5	55%	0.554	77%	0.766	S	S	*	*			cis	-156.6	160.9	11.4	0	0	0	0	0	114.4
363	H	38.3	Very low	33	Very low	188 Å²	188	130.1 Å²	130.1	87%	0.87	77%	0.773	S	S	*	*			trans	60.6	163.3	156.5	-52.9	-56.9	0	0	0	120.9
364	A	32.7	Very low	33.4	Very low	82 Å²	82	130.5 Å²	130.5	68%	0.678	78%	0.775	S	S	*	*			cis	-178.3	145.7	-50	0	0	0	0	0	109.8
365	T	31.4	Very low	33.5	Very low	142 Å²	142	132.8 Å²	132.8	87%	0.871	77%	0.774	S	S	*	*			trans	163.1	150.2	143.3	-73	0	0	0	0	110.2
366	M	30.8	Very low	33.9	Very low	174 Å²	174	129.7 Å²	129.7	86%	0.857	76%	0.76	S	S	*	*			trans	-115.3	148.5	-174.4	-61.8	-103.8	68.2	0	0	112.2
367	S	29.5	Very low	34.4	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	76%	0.757	S	S	*	*			trans	-158.8	154.7	144.5	51.9	0	0	0	0	110.8
368	P	37	Very low	35	Very low	118 Å²	118	131.3 Å²	131.3	77%	0.766	75%	0.753	S	S	*	*			trans	-121.4	135.2	-164.1	37.3	-22.9	0	0	0	115.1
369	T	28.7	Very low	35.6	Very low	151 Å²	151	128.6 Å²	128.6	93%	0.926	74%	0.741	S	S	*	*			trans	-164.9	125.8	154.3	-8.1	0	0	0	0	113
370	S	33.3	Very low	36	Very low	100 Å²	100	130.1 Å²	130.1	70%	0.699	74%	0.74	S	S	*	*			trans	152.7	90.1	137.2	-170	0	0	0	0	111.6
371	T	30	Very low	36.1	Very low	138 Å²	138	129.8 Å²	129.8	85%	0.847	73%	0.729	S	S	*	*			trans	-126.6	47	171.2	-42.1	0	0	0	0	110.2
372	V	33.5	Very low	36.7	Very low	131 Å²	131	130 Å²	130	79%	0.794	72%	0.718	S	S	*	*			trans	-127.2	74.1	-178.6	-172.2	0	0	0	0	109.5
373	T	36.2	Very low	37.1	Very low	111 Å²	111	131 Å²	131	68%	0.681	72%	0.716	S	S	*	*	S	Bend	trans	-163.1	-37.3	172.2	-0.8	0	0	0	0	113.9	Y375	T373-Y375 VanDerWaalsContact C-N 3.29Å; T373-Y375 PolarHBondContact O-N 3.33Å
374	Q	40.9	Very low	37.3	Very low	164 Å²	164	123.7 Å²	123.7	77%	0.766	69%	0.689	S	S	*	*	H	α-helix	trans	-68.8	-16.2	-172.7	-73.5	-171.1	-13.2	0	0	115.8
375	Y	35.2	Very low	38.2	Very low	202 Å²	202	124.6 Å²	124.6	79%	0.792	68%	0.679	S	S	*	*	H	α-helix	trans	-77.2	-33.6	-177.7	-128.4	-89.3	0	0	0	113.4	T373 L379	T373-Y375 VanDerWaalsContact C-N 3.29Å; T373-Y375 PolarHBondContact O-N 3.33Å; Y375-L379 HydrophobicContact CD1-CD1 4.44Å
376	G	38.4	Very low	38.7	Very low	45 Å²	45	121.5 Å²	121.5	46%	0.464	66%	0.66	S	S	.	*	H	α-helix	trans	-71.8	-36.6	-177.8	0	0	0	0	0	113.7	L380	G376-L380 PolarHBondContact O-N 3.4Å
377	Q	42	Very low	39.2	Very low	152 Å²	152	117.6 Å²	117.6	71%	0.71	65%	0.646	S	S	*	*	H	α-helix	trans	-71.7	-33.7	179.9	-76.1	179	-29.9	0	0	112.9	Q381	Q377-Q381 WeakPolarHBondContact O-CB 3.49Å; Q377-Q381 PolarHBondContact O-N 2.83Å
378	R	41.3	Very low	39.5	Very low	201 Å²	201	118.7 Å²	118.7	76%	0.758	63%	0.632	S	S	*	*	H	α-helix	trans	-63.7	-46.4	173.8	-82.2	-169.3	174.6	-174.1	-0.2	112.3	L380 Q381 E382	R378-L380 VanDerWaalsContact C-N 3.34Å; R378-L380 PolarHBondContact O-N 3.03Å; R378-Q381 PolarHBondContact O-N 2.94Å; R378-E382 VanDerWaalsContact O-CB 3.31Å; R378-E382 WeakPolarHBondContact O-CB 3.19Å; R378-E382 PolarHBondContact O-N 2.92Å
379	L	43.9	Very low	40	Very low	96 Å²	96	120.1 Å²	120.1	50%	0.503	63%	0.629	S	S	.	*	H	α-helix	trans	-61.8	-38.9	178.9	-83.3	163.3	0	0	0	112.7	Y375 V383	Y375-L379 HydrophobicContact CD1-CD1 4.44Å; L379-V383 WeakPolarHBondContact O-CB 3.34Å; L379-V383 VanDerWaalsContact O-CG2 3.28Å; L379-V383 WeakPolarHBondContact O-CG2 3.42Å; L379-V383 PolarHBondContact O-N 3.21Å
380	L	42.4	Very low	40.4	Very low	132 Å²	132	118.3 Å²	118.3	69%	0.691	62%	0.618	S	S	*	*	H	α-helix	trans	-68.7	-38.5	174.8	-89.2	165.9	0	0	0	112.9	G376 R378 A384	G376-L380 PolarHBondContact O-N 3.4Å; R378-L380 VanDerWaalsContact C-N 3.34Å; R378-L380 PolarHBondContact O-N 3.03Å; L380-A384 VanDerWaalsContact O-CB 3.28Å; L380-A384 WeakPolarHBondContact O-CB 3.24Å; L380-A384 PolarHBondContact O-N 2.85Å
381	Q	43.1	Very low	40.5	Very low	102 Å²	102	119.1 Å²	119.1	48%	0.477	62%	0.618	S	S	.	*	H	α-helix	trans	-63.4	-46.9	174.4	-172.3	71.5	21.3	0	0	111.3	Q377 R378 A384 E385	Q377-Q381 WeakPolarHBondContact O-CB 3.49Å; Q377-Q381 PolarHBondContact O-N 2.83Å; R378-Q381 PolarHBondContact O-N 2.94Å; Q381-A384 PolarHBondContact O-N 3.05Å; Q381-E385 PolarHBondContact NE2-OE1 2.79Å; Q381-E385 WeakPolarHBondContact O-CG 3.41Å; Q381-E385 PolarHBondContact O-N 3.05Å
382	E	46.5	Very low	40.8	Very low	118 Å²	118	119 Å²	119	55%	0.551	61%	0.611	S	S	*	*	H	α-helix	trans	-65.5	-39.8	-178.1	-173.3	170	-145.5	0	0	112.3	R378 E385 T386	R378-E382 VanDerWaalsContact O-CB 3.31Å; R378-E382 WeakPolarHBondContact O-CB 3.19Å; R378-E382 PolarHBondContact O-N 2.92Å; E382-E385 PolarHBondContact O-N 2.74Å; E382-T386 WeakPolarHBondContact O-CB 3.38Å; E382-T386 PolarHBondContact O-N 2.96Å; E382-T386 PolarHBondContact O-OG1 3.22Å
383	V	43.6	Very low	40.6	Very low	87 Å²	87	120.5 Å²	120.5	53%	0.527	61%	0.609	S	S	.	*	H	α-helix	trans	-65.8	-42.7	171.3	170.3	0	0	0	0	111.2	L379 E385 T386 V387	L379-V383 WeakPolarHBondContact O-CB 3.34Å; L379-V383 VanDerWaalsContact O-CG2 3.28Å; L379-V383 WeakPolarHBondContact O-CG2 3.42Å; L379-V383 PolarHBondContact O-N 3.21Å; V383-E385 VanDerWaalsContact C-N 3.32Å; V383-E385 PolarHBondContact O-N 2.94Å; V383-T386 PolarHBondContact O-N 3.14Å; V383-V387 WeakPolarHBondContact O-CG2 3.38Å; V383-V387 PolarHBondContact O-N 2.84Å
384	A	43	Very low	40.6	Very low	36 Å²	36	121.3 Å²	121.3	30%	0.298	62%	0.616	S	S	.	*	H	α-helix	trans	-65.9	-32.8	177.9	0	0	0	0	0	112.8	L380 Q381 R388	L380-A384 VanDerWaalsContact O-CB 3.28Å; L380-A384 WeakPolarHBondContact O-CB 3.24Å; L380-A384 PolarHBondContact O-N 2.85Å; Q381-A384 PolarHBondContact O-N 3.05Å; A384-R388 WeakPolarHBondContact O-CG 3.4Å; A384-R388 PolarHBondContact O-N 2.98Å; A384-R388 PolarHBondContact O-NE 3.21Å
385	E	51.6	Low	40.2	Very low	101 Å²	101	121.7 Å²	121.7	47%	0.472	62%	0.615	S	S	.	*	H	α-helix	trans	-73.8	-43.5	173.6	-72.7	174.7	-171.6	0	0	111.7	Q381 E382 V383 V387 R388 E389	Q381-E385 PolarHBondContact NE2-OE1 2.79Å; Q381-E385 WeakPolarHBondContact O-CG 3.41Å; Q381-E385 PolarHBondContact O-N 3.05Å; E382-E385 PolarHBondContact O-N 2.74Å; V383-E385 VanDerWaalsContact C-N 3.32Å; V383-E385 PolarHBondContact O-N 2.94Å; E385-V387 VanDerWaalsContact C-N 3.31Å; E385-V387 PolarHBondContact O-N 2.87Å; E385-R388 VanDerWaalsContact CG-NH2 3.27Å; E385-R388 PolarHBondContact O-N 2.98Å; E385-R388 VanDerWaalsContact O-N 3.08Å; E385-E389 PolarHBondContact O-N 2.95Å
386	T	42.6	Very low	40.2	Very low	77 Å²	77	117.9 Å²	117.9	47%	0.472	62%	0.618	S	S	.	*	H	α-helix	trans	-57.4	-42.6	175	-56.6	0	0	0	0	112	E382 V383 E389 T390	E382-T386 WeakPolarHBondContact O-CB 3.38Å; E382-T386 PolarHBondContact O-N 2.96Å; E382-T386 PolarHBondContact O-OG1 3.22Å; V383-T386 PolarHBondContact O-N 3.14Å; T386-E389 PolarHBondContact O-N 3.22Å; T386-T390 WeakPolarHBondContact O-CB 3.37Å; T386-T390 PolarHBondContact O-N 2.6Å; T386-T390 VanDerWaalsContact O-N 3.14Å; T386-T390 PolarHBondContact O-OG1 2.74Å
387	V	39.9	Very low	40.1	Very low	92 Å²	92	123.7 Å²	123.7	56%	0.558	63%	0.633	S	S	*	*	H	α-helix	trans	-67.2	-36.1	176.9	171.3	0	0	0	0	111.7	V383 E385 V391	V383-V387 WeakPolarHBondContact O-CG2 3.38Å; V383-V387 PolarHBondContact O-N 2.84Å; E385-V387 VanDerWaalsContact C-N 3.31Å; E385-V387 PolarHBondContact O-N 2.87Å; V387-V391 WeakPolarHBondContact O-CG2 3.4Å
388	R	36.6	Very low	40.5	Very low	138 Å²	138	123 Å²	123	52%	0.521	63%	0.625	S	S	.	*	H	α-helix	trans	-70.2	-40.5	174.9	-74.7	-177.3	-69.2	-110	4.3	112.6	A384 E385 T390 V391	A384-R388 WeakPolarHBondContact O-CG 3.4Å; A384-R388 PolarHBondContact O-N 2.98Å; A384-R388 PolarHBondContact O-NE 3.21Å; E385-R388 VanDerWaalsContact CG-NH2 3.27Å; E385-R388 PolarHBondContact O-N 2.98Å; E385-R388 VanDerWaalsContact O-N 3.08Å; R388-T390 VanDerWaalsContact C-N 3.31Å; R388-T390 PolarHBondContact O-N 3.23Å; R388-V391 PolarHBondContact O-N 2.98Å
389	E	47.4	Very low	40.5	Very low	148 Å²	148	118.2 Å²	118.2	69%	0.692	62%	0.62	S	S	*	*	H	α-helix	trans	-68.1	-29.6	180	-162.3	-178.3	-163.6	0	0	112.4	E385 T386 V391	E385-E389 PolarHBondContact O-N 2.95Å; T386-E389 PolarHBondContact O-N 3.22Å; E389-V391 VanDerWaalsContact C-N 3.28Å; E389-V391 PolarHBondContact O-N 2.85Å
390	T	38.1	Very low	41	Very low	114 Å²	114	121.8 Å²	121.8	70%	0.699	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-13.2	-178.4	-54.4	0	0	0	0	113.9	T386 R388	T386-T390 WeakPolarHBondContact O-CB 3.37Å; T386-T390 PolarHBondContact O-N 2.6Å; T386-T390 VanDerWaalsContact O-N 3.14Å; T386-T390 PolarHBondContact O-OG1 2.74Å; R388-T390 VanDerWaalsContact C-N 3.31Å; R388-T390 PolarHBondContact O-N 3.23Å
391	V	35	Very low	41.3	Very low	116 Å²	116	119.2 Å²	119.2	70%	0.703	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-12.2	-170.8	176	0	0	0	0	113.8	V387 R388 E389	V387-V391 WeakPolarHBondContact O-CG2 3.4Å; R388-V391 PolarHBondContact O-N 2.98Å; E389-V391 VanDerWaalsContact C-N 3.28Å; E389-V391 PolarHBondContact O-N 2.85Å
392	I	35.8	Very low	41.9	Very low	135 Å²	135	122 Å²	122	69%	0.692	62%	0.624	S	S	*	*			trans	-105.5	122.3	-173.3	-57.4	178.4	0	0	0	111.2
393	Q	29.6	Very low	42.8	Very low	164 Å²	164	119 Å²	119	77%	0.766	62%	0.619	S	S	*	*			trans	-73.6	126.7	176.4	-65.3	-173.2	7.1	0	0	111.6	K395	Q393-K395 PolarHBondContact O-N 3.03Å; Q393-K395 VanDerWaalsContact O-N 3.16Å
394	P	36.6	Very low	43.8	Very low	127 Å²	127	116.6 Å²	116.6	83%	0.825	61%	0.611	S	S	*	*			trans	-77.5	103.9	179.3	29.9	-33.8	0	0	0	111.7
395	K	32.1	Very low	44.5	Very low	173 Å²	173	117.5 Å²	117.5	75%	0.752	61%	0.611	S	S	*	*			trans	-100.3	137.8	164.6	-76.4	-176.6	178	176.3	0	110.8	Q393	Q393-K395 PolarHBondContact O-N 3.03Å; Q393-K395 VanDerWaalsContact O-N 3.16Å
396	S	34.2	Very low	45	Very low	121 Å²	121	116.4 Å²	116.4	85%	0.846	61%	0.606	S	S	*	*	S	Bend	trans	48	73.6	157.9	57	0	0	0	0	117.9
397	Q	37.1	Very low	46.4	Very low	168 Å²	168	118.5 Å²	118.5	79%	0.785	61%	0.609	S	S	*	*			trans	-147.7	56.7	166.4	-151.9	171.9	54.8	0	0	113.7
398	Y	49.7	Very low	47.5	Very low	138 Å²	138	116.3 Å²	116.3	54%	0.541	59%	0.593	S	S	.	*			trans	-134.5	43.6	176.1	-64.5	-65.8	0	0	0	117	R402	Y398-R402 WeakPolarHBondContact O-CB 3.37Å
399	P	42.7	Very low	48.7	Very low	100 Å²	100	114.6 Å²	114.6	65%	0.649	59%	0.594	S	S	*	*	H	α-helix	trans	-71.5	-50.1	175.6	-11.5	28.1	0	0	0	112.8	R402 A403	P399-R402 PolarHBondContact O-N 2.73Å; P399-A403 PolarHBondContact O-N 3.34Å
400	E	53.4	Low	49.6	Very low	171 Å²	171	113.7 Å²	113.7	80%	0.799	59%	0.588	S	S	*	*	H	α-helix	trans	-70.9	-46.7	-164.8	-62.9	175.3	-179.2	0	0	112.9	R402 A403 G404	E400-R402 VanDerWaalsContact C-N 3.28Å; E400-R402 PolarHBondContact O-N 3Å; E400-A403 PolarHBondContact O-N 2.96Å; E400-G404 PolarHBondContact O-N 2.92Å
401	F	48	Very low	50.8	Low	77 Å²	77	112.2 Å²	112.2	34%	0.338	57%	0.573	S	S	.	*	H	α-helix	trans	-61.5	-38.7	175.5	-178.5	-104.3	0	0	0	111.8	G404 L405 I907	F401-G404 PolarHBondContact O-N 3.41Å; F401-L405 HydrophobicContact CD1-CD1 4.09Å; F401-L405 HydrophobicContact CE1-CD1 3.54Å; F401-L405 HydrophobicContact CE1-CG 4.1Å; F401-L405 HydrophobicContact CZ-CD1 4.04Å; F401-L405 HydrophobicContact CZ-CD2 4.37Å; F401-L405 HydrophobicContact CZ-CG 4.21Å; F401-L405 PolarHBondContact O-N 3.21Å; F401-I907 HydrophobicContact CE1-CD1 3.62Å; F401-I907 HydrophobicContact CZ-CD1 3.63Å
402	R	55.8	Low	51.2	Low	161 Å²	161	110.2 Å²	110.2	61%	0.608	56%	0.561	S	S	*	*	H	α-helix	trans	-65.8	-43.1	175.4	-178.7	176.9	169.1	168.8	-0.8	111.4	Y398 P399 E400 G404 L405 E406	Y398-R402 WeakPolarHBondContact O-CB 3.37Å; P399-R402 PolarHBondContact O-N 2.73Å; E400-R402 VanDerWaalsContact C-N 3.28Å; E400-R402 PolarHBondContact O-N 3Å; R402-G404 VanDerWaalsContact C-N 3.29Å; R402-G404 PolarHBondContact O-N 2.94Å; R402-L405 PolarHBondContact O-N 3.02Å; R402-E406 HydrophobicContact CG-CG 4.41Å; R402-E406 IonicContact CZ-OE1 3.89Å; R402-E406 VanDerWaalsContact CZ-OE1 3.24Å; R402-E406 IonicContact NE-OE1 2.69Å; R402-E406 PolarHBondContact NE-OE1 3.15Å; R402-E406 IonicContact NH2-OE1 2.67Å; R402-E406 PolarHBondContact NH2-OE1 3.45Å; R402-E406 WeakPolarHBondContact O-CB 3.47Å; R402-E406 WeakPolarHBondContact O-CG 3.43Å; R402-E406 PolarHBondContact O-N 3.21Å
403	A	65.3	Low	52	Low	56 Å²	56	108.7 Å²	108.7	46%	0.463	55%	0.554	S	S	.	*	H	α-helix	trans	-62	-36.1	173.7	0	0	0	0	0	112.2	P399 E400 K407	P399-A403 PolarHBondContact O-N 3.34Å; E400-A403 PolarHBondContact O-N 2.96Å; A403-K407 WeakPolarHBondContact O-CB 3.41Å; A403-K407 PolarHBondContact O-N 2.94Å
404	G	64.9	Low	52.7	Low	35 Å²	35	107.6 Å²	107.6	36%	0.361	55%	0.549	S	S	.	.	H	α-helix	trans	-61.9	-45.9	172.1	0	0	0	0	0	113.2	E400 F401 R402 K407 L408	E400-G404 PolarHBondContact O-N 2.92Å; F401-G404 PolarHBondContact O-N 3.41Å; R402-G404 VanDerWaalsContact C-N 3.29Å; R402-G404 PolarHBondContact O-N 2.94Å; G404-K407 PolarHBondContact O-N 2.84Å; G404-L408 PolarHBondContact O-N 2.99Å
405	L	58.1	Low	53	Low	55 Å²	55	107.3 Å²	107.3	29%	0.288	55%	0.545	S	S	.	.	H	α-helix	trans	-64.9	-47.9	174.5	-70.6	177.6	0	0	0	112.4	F401 R402 K407 L408 L409 I907	F401-L405 HydrophobicContact CD1-CD1 4.09Å; F401-L405 HydrophobicContact CE1-CD1 3.54Å; F401-L405 HydrophobicContact CE1-CG 4.1Å; F401-L405 HydrophobicContact CZ-CD1 4.04Å; F401-L405 HydrophobicContact CZ-CD2 4.37Å; F401-L405 HydrophobicContact CZ-CG 4.21Å; F401-L405 PolarHBondContact O-N 3.21Å; R402-L405 PolarHBondContact O-N 3.02Å; L405-K407 PolarHBondContact O-N 3.49Å; L405-L408 PolarHBondContact O-N 2.96Å; L405-L409 WeakPolarHBondContact O-CB 3.5Å; L405-L409 PolarHBondContact O-N 3.49Å; L405-I907 HydrophobicContact CD1-CD1 4.28Å
406	E	63.1	Low	53.3	Low	79 Å²	79	103.2 Å²	103.2	37%	0.369	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-32.4	178.6	-73	-178.8	-173.5	0	0	111.9	R402 K410	R402-E406 HydrophobicContact CG-CG 4.41Å; R402-E406 IonicContact CZ-OE1 3.89Å; R402-E406 VanDerWaalsContact CZ-OE1 3.24Å; R402-E406 IonicContact NE-OE1 2.69Å; R402-E406 PolarHBondContact NE-OE1 3.15Å; R402-E406 IonicContact NH2-OE1 2.67Å; R402-E406 PolarHBondContact NH2-OE1 3.45Å; R402-E406 WeakPolarHBondContact O-CB 3.47Å; R402-E406 WeakPolarHBondContact O-CG 3.43Å; R402-E406 PolarHBondContact O-N 3.21Å; E406-K410 WeakPolarHBondContact O-CB 3.45Å; E406-K410 VanDerWaalsContact O-CG 3.27Å; E406-K410 WeakPolarHBondContact O-CG 3.27Å; E406-K410 PolarHBondContact O-N 3Å
407	K	72	Confident	53.4	Low	121 Å²	121	104.7 Å²	104.7	53%	0.526	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-52.4	170.5	178.3	177.9	170.1	178.1	0	111.6	A403 G404 L405 L409 K410 E411	A403-K407 WeakPolarHBondContact O-CB 3.41Å; A403-K407 PolarHBondContact O-N 2.94Å; G404-K407 PolarHBondContact O-N 2.84Å; L405-K407 PolarHBondContact O-N 3.49Å; K407-L409 PolarHBondContact O-N 2.86Å; K407-K410 PolarHBondContact O-N 3.07Å; K407-K410 VanDerWaalsContact O-N 3.15Å; K407-E411 WeakPolarHBondContact CE-OE1 3.17Å; K407-E411 WeakPolarHBondContact CE-OE2 3.42Å; K407-E411 HydrophobicContact CG-CG 4.3Å; K407-E411 IonicContact NZ-OE1 3.37Å; K407-E411 PolarHBondContact NZ-OE1 2.79Å; K407-E411 WeakPolarHBondContact O-CG 3.47Å; K407-E411 PolarHBondContact O-N 2.84Å
408	L	61	Low	53.2	Low	45 Å²	45	101.2 Å²	101.2	24%	0.236	53%	0.53	C	S	.	.	H	α-helix	trans	-57.1	-38.4	177.9	-95.2	162.5	0	0	0	112.3	G404 L405 T412	G404-L408 PolarHBondContact O-N 2.99Å; L405-L408 PolarHBondContact O-N 2.96Å; L408-T412 WeakPolarHBondContact O-CB 3.29Å; L408-T412 PolarHBondContact O-N 2.85Å; L408-T412 PolarHBondContact O-OG1 2.76Å
409	L	61.9	Low	52.4	Low	103 Å²	103	103.7 Å²	103.7	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-68.8	-41.7	178.4	-145.1	163.3	0	0	0	111.1	L405 K407 T412 L413	L405-L409 WeakPolarHBondContact O-CB 3.5Å; L405-L409 PolarHBondContact O-N 3.49Å; K407-L409 PolarHBondContact O-N 2.86Å; L409-T412 PolarHBondContact O-N 3.28Å; L409-L413 HydrophobicContact CD2-CD1 3.59Å; L409-L413 HydrophobicContact CD2-CG 4.13Å; L409-L413 WeakPolarHBondContact O-CG 3.14Å; L409-L413 PolarHBondContact O-N 2.84Å
410	K	66.5	Low	52	Low	128 Å²	128	105.9 Å²	105.9	56%	0.557	55%	0.55	S	S	*	.	H	α-helix	trans	-65.2	-45.6	172.7	-74.8	170.6	-178.4	175.1	0	112.8	E406 K407 T412 L413 Q414	E406-K410 WeakPolarHBondContact O-CB 3.45Å; E406-K410 VanDerWaalsContact O-CG 3.27Å; E406-K410 WeakPolarHBondContact O-CG 3.27Å; E406-K410 PolarHBondContact O-N 3Å; K407-K410 PolarHBondContact O-N 3.07Å; K407-K410 VanDerWaalsContact O-N 3.15Å; K410-T412 VanDerWaalsContact C-N 3.29Å; K410-T412 PolarHBondContact O-N 3.42Å; K410-L413 PolarHBondContact O-N 3.01Å; K410-Q414 WeakPolarHBondContact O-CB 3.31Å; K410-Q414 WeakPolarHBondContact O-CG 2.92Å; K410-Q414 PolarHBondContact O-N 2.64Å
411	E	62.8	Low	51	Low	84 Å²	84	107.5 Å²	107.5	39%	0.393	55%	0.554	S	S	.	*	H	α-helix	trans	-59.8	-40.4	176.3	-73.8	177.8	151	0	0	110.9	K407 T415	K407-E411 WeakPolarHBondContact CE-OE1 3.17Å; K407-E411 WeakPolarHBondContact CE-OE2 3.42Å; K407-E411 HydrophobicContact CG-CG 4.3Å; K407-E411 IonicContact NZ-OE1 3.37Å; K407-E411 PolarHBondContact NZ-OE1 2.79Å; K407-E411 WeakPolarHBondContact O-CG 3.47Å; K407-E411 PolarHBondContact O-N 2.84Å; E411-T415 VanDerWaalsContact O-CB 3.28Å; E411-T415 WeakPolarHBondContact O-CB 3.46Å; E411-T415 PolarHBondContact O-N 2.95Å; E411-T415 PolarHBondContact O-OG1 2.92Å
412	T	44.2	Very low	50.4	Low	73 Å²	73	112.7 Å²	112.7	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-64.2	-46.3	174.9	-56	0	0	0	0	112.1	L408 L409 K410 S416	L408-T412 WeakPolarHBondContact O-CB 3.29Å; L408-T412 PolarHBondContact O-N 2.85Å; L408-T412 PolarHBondContact O-OG1 2.76Å; L409-T412 PolarHBondContact O-N 3.28Å; K410-T412 VanDerWaalsContact C-N 3.29Å; K410-T412 PolarHBondContact O-N 3.42Å; T412-S416 PolarHBondContact O-N 3.37Å; T412-S416 PolarHBondContact O-OG 2.93Å
413	L	52.1	Low	49.5	Very low	103 Å²	103	112.3 Å²	112.3	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-66.9	-40.6	179.5	-73.8	170.3	0	0	0	112.7	L409 K410 S416 L417	L409-L413 HydrophobicContact CD2-CD1 3.59Å; L409-L413 HydrophobicContact CD2-CG 4.13Å; L409-L413 WeakPolarHBondContact O-CG 3.14Å; L409-L413 PolarHBondContact O-N 2.84Å; K410-L413 PolarHBondContact O-N 3.01Å; L413-S416 WeakPolarHBondContact CA-OG 3.15Å; L413-S416 PolarHBondContact O-N 2.78Å; L413-S416 PolarHBondContact O-OG 3.5Å; L413-L417 WeakPolarHBondContact O-CB 3.22Å; L413-L417 PolarHBondContact O-N 3.18Å
414	Q	44.7	Very low	47.9	Very low	141 Å²	141	115.4 Å²	115.4	66%	0.659	60%	0.6	S	S	*	*	H	α-helix	trans	-73.2	-35.6	178.8	-69.2	-178.1	-92.3	0	0	112.1	K410 S416 L417	K410-Q414 WeakPolarHBondContact O-CB 3.31Å; K410-Q414 WeakPolarHBondContact O-CG 2.92Å; K410-Q414 PolarHBondContact O-N 2.64Å; Q414-S416 PolarHBondContact O-N 3.4Å; Q414-L417 PolarHBondContact O-N 2.91Å
415	T	42.7	Very low	46.5	Very low	121 Å²	121	122.3 Å²	122.3	74%	0.742	63%	0.625	S	S	*	*	H	α-helix	trans	-67	-23.5	175.1	-52.6	0	0	0	0	112.6	E411	E411-T415 VanDerWaalsContact O-CB 3.28Å; E411-T415 WeakPolarHBondContact O-CB 3.46Å; E411-T415 PolarHBondContact O-N 2.95Å; E411-T415 PolarHBondContact O-OG1 2.92Å
416	S	39.9	Very low	45	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-0.2	175.5	48.9	0	0	0	0	114.5	T412 L413 Q414	T412-S416 PolarHBondContact O-N 3.37Å; T412-S416 PolarHBondContact O-OG 2.93Å; L413-S416 WeakPolarHBondContact CA-OG 3.15Å; L413-S416 PolarHBondContact O-N 2.78Å; L413-S416 PolarHBondContact O-OG 3.5Å; Q414-S416 PolarHBondContact O-N 3.4Å
417	L	35.6	Very low	43.8	Very low	152 Å²	152	128.9 Å²	128.9	80%	0.796	67%	0.665	S	S	*	*	S	Bend	trans	-138.1	41.8	-168.7	-153.2	106.5	0	0	0	114.6	L413 Q414	L413-L417 WeakPolarHBondContact O-CB 3.22Å; L413-L417 PolarHBondContact O-N 3.18Å; Q414-L417 PolarHBondContact O-N 2.91Å
418	S	32.2	Very low	42	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	68%	0.676	S	S	*	*			trans	-144.2	71.5	175.8	71.5	0	0	0	0	114.8
419	K	33.4	Very low	40.6	Very low	190 Å²	190	132 Å²	132	83%	0.826	70%	0.704	S	S	*	*			trans	-138.9	148.2	152.7	-85.2	-166.2	174.3	-176.4	0	110.7
420	D	33.4	Very low	39.4	Very low	147 Å²	147	132.6 Å²	132.6	79%	0.786	72%	0.716	S	S	*	*			trans	57.9	96.5	164.2	-48.5	-30.8	0	0	0	119.2
421	K	32.5	Very low	37.9	Very low	205 Å²	205	131.1 Å²	131.1	89%	0.891	73%	0.728	S	S	*	*				-172.5	106.6	124.6	-109.8	171.9	-177.7	173.9	0	115.5
422	K	36.1	Very low	36.3	Very low	186 Å²	186	134.8 Å²	134.8	81%	0.809	75%	0.749	S	S	*	*			trans	164.4	151.1	141.9	-95.7	174.5	-179.1	-177.5	0	107.9
423	D	37.3	Very low	35.6	Very low	153 Å²	153	138 Å²	138	82%	0.818	77%	0.769	S	S	*	*			cis	-109.6	-174.8	17.7	-76.7	-59.7	0	0	0	115.6
424	T	31.3	Very low	34.8	Very low	120 Å²	120	136.4 Å²	136.4	74%	0.736	78%	0.777	S	S	*	*			trans	-131.9	132.6	-176.4	-59	0	0	0	0	110.5
425	M	35.9	Very low	34.2	Very low	180 Å²	180	135.4 Å²	135.4	89%	0.887	79%	0.786	S	S	*	*			trans	-138.7	143.3	157.1	-168.9	167.6	179.4	0	0	109.2
426	T	27.3	Very low	33.8	Very low	114 Å²	114	134.2 Å²	134.2	70%	0.699	78%	0.781	S	S	*	*			trans	-126.9	120.5	-164	-56.3	0	0	0	0	111.2
427	I	37.6	Very low	33.5	Very low	158 Å²	158	137.8 Å²	137.8	81%	0.81	79%	0.788	S	S	*	*			trans	-138.8	148.9	162	-58.9	-175.2	0	0	0	108.3
428	S	33.5	Very low	33.5	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	79%	0.786	S	S	*	*			trans	-85	160	-160.7	-43.3	0	0	0	0	116
429	P	32.9	Very low	33.7	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	78%	0.784	S	S	*	*			trans	-103.2	147.8	177.6	38	-32.6	0	0	0	114.6
430	S	36	Very low	33.8	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	78%	0.779	S	S	*	*			trans	-170.6	127.5	163.7	55.9	0	0	0	0	114
431	A	34.5	Very low	33.8	Very low	97 Å²	97	136.2 Å²	136.2	80%	0.802	78%	0.776	S	S	*	*			trans	59.5	156.3	155.4	0	0	0	0	0	120.1
432	L	29.6	Very low	33.8	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	77%	0.77	S	S	*	*			cis	-177.3	149	-38.3	-119	171.2	0	0	0	108.6
433	T	30.1	Very low	33.5	Very low	142 Å²	142	129.5 Å²	129.5	87%	0.871	77%	0.766	S	S	*	*			trans	83.9	136.9	160.4	-25.4	0	0	0	0	120.4
434	G	34.4	Very low	33.1	Very low	69 Å²	69	128.1 Å²	128.1	71%	0.711	77%	0.769	S	S	*	*			trans	117.5	105	171.1	0	0	0	0	0	113
435	S	32.4	Very low	33.1	Very low	120 Å²	120	130.5 Å²	130.5	84%	0.839	77%	0.772	S	S	*	*				73.6	125.3	57.6	-162.6	0	0	0	0	112.6
436	C	33.2	Very low	32.9	Very low	95 Å²	95	130.6 Å²	130.6	64%	0.642	77%	0.767	S	S	*	*			cis	-153.7	174.1	3.8	-140.3	0	0	0	0	111.8
437	E	34.4	Very low	33	Very low	162 Å²	162	134 Å²	134	76%	0.757	78%	0.775	S	S	*	*			trans	30.7	147.3	145	-71.6	162.6	139.3	0	0	121.9
438	M	36.4	Very low	32.4	Very low	152 Å²	152	133.3 Å²	133.3	75%	0.749	77%	0.772	S	S	*	*			cis	-159.6	148.8	3.3	-156.1	71.1	152.8	0	0	105.8
439	S	35.1	Very low	32.2	Very low	89 Å²	89	134.4 Å²	134.4	62%	0.622	77%	0.774	S	S	*	*				157.6	125.4	87.3	-93.9	0	0	0	0	112
440	H	35.9	Very low	32.1	Very low	157 Å²	157	135.8 Å²	135.8	73%	0.727	77%	0.77	S	S	*	*			trans	55.3	157.9	148.2	-60.4	-77.1	0	0	0	121.8
441	Q	33.7	Very low	32	Very low	154 Å²	154	138.5 Å²	138.5	72%	0.72	77%	0.774	S	S	*	*			cis	174.8	137.9	-26.5	169.8	171.2	-15.2	0	0	107.8
442	L	33.1	Very low	31.8	Very low	144 Å²	144	141.9 Å²	141.9	75%	0.754	77%	0.773	S	S	*	*			cis	-155.4	116.2	-21.8	-103.2	176.8	0	0	0	105
443	S	28	Very low	32.1	Very low	106 Å²	106	143 Å²	143	74%	0.741	77%	0.774	S	S	*	*				91	118.4	96.4	72.1	0	0	0	0	117.2
444	S	30.3	Very low	32.1	Very low	124 Å²	124	141.9 Å²	141.9	87%	0.867	77%	0.767	S	S	*	*			trans	-153.6	162.5	153.3	-171.9	0	0	0	0	108.6
445	E	31.2	Very low	32.3	Very low	170 Å²	170	144.7 Å²	144.7	79%	0.794	77%	0.77	S	S	*	*			trans	80.4	158.2	173.6	-149.3	152.3	-153.2	0	0	118.1
446	F	30.4	Very low	32.1	Very low	181 Å²	181	146 Å²	146	79%	0.794	76%	0.763	S	S	*	*			trans	-79	153.3	-148.6	-45.3	-88.3	0	0	0	117.5
447	H	30.3	Very low	32.1	Very low	185 Å²	185	149.6 Å²	149.6	86%	0.856	77%	0.768	S	S	*	*				-163.3	167.1	107.6	-150.3	-100.6	0	0	0	114.5
448	L	25.5	Very low	32.1	Very low	144 Å²	144	147.1 Å²	147.1	75%	0.754	78%	0.775	S	S	*	*			trans	-93.2	142.3	173.7	-87	163	0	0	0	113.6
449	T	28.4	Very low	31.9	Very low	132 Å²	132	148.5 Å²	148.5	81%	0.81	78%	0.779	S	S	*	*			trans	162.1	150.4	143.6	28.6	0	0	0	0	105.8
450	E	31	Very low	31.7	Very low	154 Å²	154	149.3 Å²	149.3	72%	0.72	79%	0.791	S	S	*	*			cis	170.7	141.4	-4.2	165.9	173.5	-159.8	0	0	103.9
451	I	34.9	Very low	31.6	Very low	171 Å²	171	146.8 Å²	146.8	88%	0.877	79%	0.789	S	S	*	*			trans	-163	141.5	159.5	-100.6	146.9	0	0	0	106.9
452	Q	30.3	Very low	31.9	Very low	168 Å²	168	144.6 Å²	144.6	79%	0.785	79%	0.791	S	S	*	*			trans	-98.1	-166.2	-178.5	-57.9	-177.8	-85.5	0	0	111.6
453	E	35.1	Very low	32.2	Very low	185 Å²	185	144 Å²	144	86%	0.864	79%	0.793	S	S	*	*			trans	92.7	135	160.8	-157	168.3	-135.1	0	0	116.7
454	T	30.8	Very low	32.6	Very low	117 Å²	117	145.2 Å²	145.2	72%	0.718	80%	0.796	S	S	*	*			cis	-165.7	-177.4	-28.5	-91.2	0	0	0	0	107.4
455	V	37	Very low	32.8	Very low	129 Å²	129	147.8 Å²	147.8	78%	0.782	79%	0.794	S	S	*	*			trans	84.1	113.4	175.4	-167.6	0	0	0	0	113
456	E	30.2	Very low	33.1	Very low	148 Å²	148	144.8 Å²	144.8	69%	0.692	79%	0.792	S	S	*	*			cis	108	140.7	20.9	-154.6	-139.2	159.2	0	0	113.5
457	K	33	Very low	33.5	Very low	170 Å²	170	141 Å²	141	74%	0.739	79%	0.788	S	S	*	*			trans	65.1	102.9	172.8	-75.4	-173.7	178.6	71.4	0	120.8
458	A	34.3	Very low	34	Very low	110 Å²	110	140.8 Å²	140.8	91%	0.909	79%	0.785	S	S	*	*				-155.9	144.2	118.1	0	0	0	0	0	109.2
459	E	30.8	Very low	35.2	Very low	180 Å²	180	140 Å²	140	84%	0.841	78%	0.782	S	S	*	*			trans	-135.4	136.3	-163.6	176.3	177.9	-173.7	0	0	113
460	A	32.1	Very low	36.1	Very low	106 Å²	106	139.6 Å²	139.6	88%	0.876	78%	0.779	S	S	*	*			trans	-165.9	95.1	162.6	0	0	0	0	0	112.4
461	P	34.2	Very low	36.7	Very low	105 Å²	105	134.6 Å²	134.6	68%	0.682	77%	0.768	S	S	*	*			trans	-113.2	141.3	177	37.1	-28.1	0	0	0	113.8
462	S	38.6	Very low	37.4	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	75%	0.753	S	S	*	*			trans	-161.9	123.3	159.8	64.4	0	0	0	0	114.1
463	V	40.8	Very low	38.2	Very low	133 Å²	133	130.9 Å²	130.9	81%	0.806	75%	0.75	S	S	*	*			trans	63.8	126.5	134.7	176.9	0	0	0	0	117.4
464	T	35.9	Very low	39	Very low	130 Å²	130	127.8 Å²	127.8	80%	0.798	73%	0.734	S	S	*	*			cis	-143.6	159.6	21.9	-25.9	0	0	0	0	112.3
465	E	34.1	Very low	39.9	Very low	179 Å²	179	127.2 Å²	127.2	84%	0.836	73%	0.725	S	S	*	*			trans	-78.3	171.3	174.9	-48.2	165.3	114.3	0	0	113.6
466	S	38.3	Very low	40.5	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	72%	0.716	S	S	*	*				-175.7	127.2	119	-159.2	0	0	0	0	114.8
467	S	38.8	Very low	41.2	Very low	101 Å²	101	125.6 Å²	125.6	71%	0.706	71%	0.71	S	S	*	*	S	Bend	trans	57.9	50	143.6	80.3	0	0	0	0	121.5
468	F	40.6	Very low	41.7	Very low	182 Å²	182	123.8 Å²	123.8	80%	0.798	71%	0.705	S	S	*	*	S	Bend	trans	-142.3	-44.6	154	-133.6	-94.4	0	0	0	114.9	V470 G471	F468-V470 PolarHBondContact O-N 2.59Å; F468-G471 PolarHBondContact O-N 2.77Å
469	D	50.4	Low	42	Very low	128 Å²	128	125.3 Å²	125.3	68%	0.684	70%	0.695	S	S	*	*	H	α-helix	trans	-68.6	-32.8	-171.6	-60.1	-65.5	0	0	0	114.5	G471 L472 E473	D469-G471 PolarHBondContact O-N 2.95Å; D469-G471 VanDerWaalsContact O-N 3.13Å; D469-L472 PolarHBondContact O-N 2.89Å; D469-E473 PolarHBondContact O-N 2.8Å
470	V	46.7	Very low	42.2	Very low	123 Å²	123	120.6 Å²	120.6	75%	0.745	68%	0.681	S	S	*	*	H	α-helix	trans	-59.5	-26.2	177.9	-177.3	0	0	0	0	112.8	F468	F468-V470 PolarHBondContact O-N 2.59Å
471	G	44.9	Very low	42.4	Very low	48 Å²	48	122.5 Å²	122.5	50%	0.495	67%	0.672	S	S	.	*	H	α-helix	trans	-78.3	-27.5	175.9	0	0	0	0	0	113.9	F468 D469	F468-G471 PolarHBondContact O-N 2.77Å; D469-G471 PolarHBondContact O-N 2.95Å; D469-G471 VanDerWaalsContact O-N 3.13Å
472	L	48.9	Very low	42.5	Very low	108 Å²	108	121 Å²	121	57%	0.565	68%	0.675	S	S	*	*	H	α-helix	trans	-82.9	-44.7	-173.5	-160.7	77.6	0	0	0	111.7	D469 K474 L475 L476	D469-L472 PolarHBondContact O-N 2.89Å; L472-K474 VanDerWaalsContact C-N 3.31Å; L472-K474 PolarHBondContact O-N 3.14Å; L472-L475 PolarHBondContact O-N 2.83Å; L472-L476 HydrophobicContact CG-CD1 4.24Å; L472-L476 WeakPolarHBondContact O-CG 3.43Å; L472-L476 PolarHBondContact O-N 3.15Å
473	E	47.3	Very low	42.4	Very low	153 Å²	153	122 Å²	122	72%	0.715	68%	0.679	S	S	*	*	H	α-helix	trans	-65.3	-34.3	178.1	-67.5	-160	139.4	0	0	112.5	D469 L476 K477	D469-E473 PolarHBondContact O-N 2.8Å; E473-L476 PolarHBondContact O-N 2.87Å; E473-K477 WeakPolarHBondContact O-CB 3.34Å; E473-K477 PolarHBondContact O-N 3.26Å
474	K	52.3	Low	41.7	Very low	121 Å²	121	121.7 Å²	121.7	53%	0.526	68%	0.682	S	S	.	*	H	α-helix	trans	-62.7	-45.2	175.4	-166.9	175.5	-178.9	-80.1	0	111.6	L472 L476 K477 E478	L472-K474 VanDerWaalsContact C-N 3.31Å; L472-K474 PolarHBondContact O-N 3.14Å; K474-L476 PolarHBondContact O-N 3.02Å; K474-K477 PolarHBondContact O-N 3.31Å; K474-E478 HydrophobicContact CG-CG 4.46Å; K474-E478 IonicContact NZ-OE1 2.85Å; K474-E478 PolarHBondContact NZ-OE1 2.91Å; K474-E478 IonicContact NZ-OE2 2.75Å; K474-E478 PolarHBondContact NZ-OE2 3.22Å; K474-E478 WeakPolarHBondContact O-CB 3.42Å; K474-E478 WeakPolarHBondContact O-CG 3.3Å; K474-E478 PolarHBondContact O-N 2.97Å
475	L	49.2	Very low	41.6	Very low	104 Å²	104	124.9 Å²	124.9	55%	0.545	69%	0.688	S	S	.	*	H	α-helix	trans	-65.1	-36.9	176.7	-109.8	164.4	0	0	0	112.8	L472 K477 M479	L472-L475 PolarHBondContact O-N 2.83Å; L475-K477 VanDerWaalsContact C-N 3.33Å; L475-M479 VanDerWaalsContact O-CE 3.26Å; L475-M479 WeakPolarHBondContact O-CE 3.47Å
476	L	49.2	Very low	41.2	Very low	112 Å²	112	124.2 Å²	124.2	59%	0.586	69%	0.689	S	S	*	*	H	α-helix	trans	-72.6	-24.6	176.5	-71.3	169.1	0	0	0	113	L472 E473 K474	L472-L476 HydrophobicContact CG-CD1 4.24Å; L472-L476 WeakPolarHBondContact O-CG 3.43Å; L472-L476 PolarHBondContact O-N 3.15Å; E473-L476 PolarHBondContact O-N 2.87Å; K474-L476 PolarHBondContact O-N 3.02Å
477	K	45.9	Very low	40.9	Very low	132 Å²	132	128.6 Å²	128.6	57%	0.574	70%	0.698	S	S	*	*	H	α-helix	trans	-92.1	-30.2	177.8	-161	163.5	-173.1	171.6	0	113.9	E473 K474 L475 M479 S480	E473-K477 WeakPolarHBondContact O-CB 3.34Å; E473-K477 PolarHBondContact O-N 3.26Å; K474-K477 PolarHBondContact O-N 3.31Å; L475-K477 VanDerWaalsContact C-N 3.33Å; K477-M479 PolarHBondContact O-N 3.08Å; K477-S480 PolarHBondContact O-N 3.18Å; K477-S480 PolarHBondContact O-OG 2.79Å
478	E	42.4	Very low	40.4	Very low	132 Å²	132	128.6 Å²	128.6	62%	0.617	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-8.9	171.6	-76.2	179.4	140	0	0	113.3	K474	K474-E478 HydrophobicContact CG-CG 4.46Å; K474-E478 IonicContact NZ-OE1 2.85Å; K474-E478 PolarHBondContact NZ-OE1 2.91Å; K474-E478 IonicContact NZ-OE2 2.75Å; K474-E478 PolarHBondContact NZ-OE2 3.22Å; K474-E478 WeakPolarHBondContact O-CB 3.42Å; K474-E478 WeakPolarHBondContact O-CG 3.3Å; K474-E478 PolarHBondContact O-N 2.97Å
479	M	41.1	Very low	39.9	Very low	142 Å²	142	126.2 Å²	126.2	70%	0.7	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	3.8	174.9	-71.6	-169.3	-76.1	0	0	114.8	L475 K477	L475-M479 VanDerWaalsContact O-CE 3.26Å; L475-M479 WeakPolarHBondContact O-CE 3.47Å; K477-M479 PolarHBondContact O-N 3.08Å
480	S	35.5	Very low	38.9	Very low	80 Å²	80	123.2 Å²	123.2	56%	0.559	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	-9.4	-172.4	62.1	0	0	0	0	117.5	K477	K477-S480 PolarHBondContact O-N 3.18Å; K477-S480 PolarHBondContact O-OG 2.79Å
481	E	36.4	Very low	38.3	Very low	147 Å²	147	126.9 Å²	126.9	69%	0.687	71%	0.709	S	S	*	*			trans	-133.9	98.5	-168.7	-70	-179.1	-170.3	0	0	115.5
482	G	35.8	Very low	37.6	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	72%	0.72	S	S	*	*			trans	79.3	175.4	152.1	0	0	0	0	0	118.6
483	P	35.4	Very low	36.7	Very low	129 Å²	129	133.7 Å²	133.7	84%	0.838	72%	0.721	S	S	*	*			cis	-107.2	143.9	6.1	37.5	-29.6	0	0	0	114.5
484	C	26.3	Very low	35.8	Very low	127 Å²	127	132.1 Å²	132.1	86%	0.858	72%	0.721	S	S	*	*			trans	-88.8	140.2	162.1	-63.9	0	0	0	0	110.1
485	Q	34.3	Very low	34.7	Very low	197 Å²	197	133.1 Å²	133.1	92%	0.921	73%	0.732	S	S	*	*			trans	-123.2	141.2	151.1	-76.8	-153.1	23.7	0	0	110.6
486	L	26.4	Very low	33.7	Very low	164 Å²	164	135 Å²	135	86%	0.859	74%	0.738	S	S	*	*			trans	-81.4	138.1	-179.3	-71	148.5	0	0	0	110.4
487	Q	31.5	Very low	32.6	Very low	199 Å²	199	138 Å²	138	93%	0.93	75%	0.746	S	S	*	*				-163.8	155	111.2	-103	169.1	35.4	0	0	110.5
488	A	27.8	Very low	32	Very low	100 Å²	100	139.7 Å²	139.7	83%	0.826	76%	0.756	S	S	*	*			trans	-121.3	138.7	-169	0	0	0	0	0	112.1
489	S	29.6	Very low	31.6	Very low	132 Å²	132	138.4 Å²	138.4	92%	0.923	76%	0.759	S	S	*	*			trans	174.4	167.3	140.3	-168.2	0	0	0	0	109.6
490	G	30.9	Very low	31.1	Very low	65 Å²	65	136 Å²	136	67%	0.67	76%	0.756	S	S	*	*			trans	115.2	33.2	152	0	0	0	0	0	121.1
491	R	32.7	Very low	30.9	Very low	201 Å²	201	140.2 Å²	140.2	76%	0.758	77%	0.767	S	S	*	*			trans	42.4	102.9	136.3	-167.2	-169.3	-140.1	-87	9.5	120
492	R	31.6	Very low	30.8	Very low	190 Å²	190	138.5 Å²	138.5	72%	0.717	77%	0.767	S	S	*	*				44.7	121.7	121.6	-126.1	-159.9	-67.2	148	-11.1	120.5
493	D	30	Very low	30.6	Very low	109 Å²	109	142 Å²	142	58%	0.583	76%	0.764	S	S	*	*				154.6	117.6	111.4	-79.7	-44.7	0	0	0	116.6
494	T	28.2	Very low	30.5	Very low	119 Å²	119	143.7 Å²	143.7	73%	0.73	76%	0.76	S	S	*	*				63.7	108.5	123.1	-49.9	0	0	0	0	125.1
495	L	27.8	Very low	30.8	Very low	143 Å²	143	142.3 Å²	142.3	75%	0.749	76%	0.758	S	S	*	*				58.5	127.7	127.7	-160.1	76.5	0	0	0	124.5
496	E	27.9	Very low	30.7	Very low	142 Å²	142	136.1 Å²	136.1	66%	0.664	75%	0.747	S	S	*	*			trans	60.8	167.6	156	-80.6	-174.2	-177.8	0	0	118.9
497	K	26.6	Very low	31	Very low	177 Å²	177	137.8 Å²	137.8	77%	0.77	75%	0.748	S	S	*	*			cis	-152.4	169	12.7	-144.5	176.2	-167.9	85.7	0	112.1
498	Q	32.8	Very low	31	Very low	166 Å²	166	136.3 Å²	136.3	78%	0.776	74%	0.743	S	S	*	*			trans	-73.2	166.8	158.3	-116.1	-150.4	52.5	0	0	110.7
499	P	35	Very low	31	Very low	105 Å²	105	134.5 Å²	134.5	68%	0.682	73%	0.734	S	S	*	*				-163.5	-166.7	63.3	44.5	-20.9	0	0	0	119.3
500	S	30.4	Very low	31.1	Very low	91 Å²	91	137.4 Å²	137.4	64%	0.636	73%	0.733	S	S	*	*			trans	77.4	161.9	141.5	86.5	0	0	0	0	120.3
501	Q	32.1	Very low	31	Very low	169 Å²	169	141.8 Å²	141.8	79%	0.79	74%	0.74	S	S	*	*			cis	-160	-177	2	-145.1	171.6	29.4	0	0	112.4
502	V	32.8	Very low	31.2	Very low	112 Å²	112	136.8 Å²	136.8	68%	0.679	73%	0.733	S	S	*	*			trans	76	135.6	154.1	160	0	0	0	0	116.5
503	E	32.5	Very low	31.3	Very low	146 Å²	146	135 Å²	135	68%	0.682	73%	0.733	S	S	*	*			cis	-151.2	167.7	4.5	-130.6	172.6	165	0	0	116
504	Q	33.2	Very low	31.5	Very low	164 Å²	164	136.7 Å²	136.7	77%	0.766	74%	0.737	S	S	*	*			trans	-6.4	157.6	155.6	-67.1	170.9	61.5	0	0	120.8
505	A	33.5	Very low	31.7	Very low	97 Å²	97	137.9 Å²	137.9	80%	0.802	74%	0.737	S	S	*	*			cis	-174.8	178.9	-9.4	0	0	0	0	0	107.7
506	G	31.9	Very low	31.9	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	74%	0.736	S	S	*	*			cis	165.1	-172.7	-3.7	0	0	0	0	0	112.5
507	F	31.9	Very low	31.9	Very low	198 Å²	198	137.8 Å²	137.8	87%	0.868	74%	0.741	S	S	*	*			trans	70.9	113.3	165.5	-81.8	-103	0	0	0	123
508	M	31.2	Very low	32.1	Very low	168 Å²	168	132.8 Å²	132.8	83%	0.828	74%	0.74	S	S	*	*			trans	56.9	137	134.3	-56	-68.7	-82.4	0	0	121.5
509	G	29.2	Very low	32.3	Very low	63 Å²	63	131.4 Å²	131.4	65%	0.649	75%	0.746	S	S	*	*			cis	172.3	-179.7	-3.4	0	0	0	0	0	114.5
510	E	30.1	Very low	31.9	Very low	193 Å²	193	130.2 Å²	130.2	90%	0.902	75%	0.752	S	S	*	*			trans	76.6	156.9	171.3	-56.1	-161.7	143.6	0	0	120.3
511	I	30.3	Very low	31.8	Very low	156 Å²	156	131.1 Å²	131.1	80%	0.8	77%	0.765	S	S	*	*			trans	-162.1	153.9	-145	-91.2	168	0	0	0	103.8
512	P	36	Very low	31.6	Very low	96 Å²	96	128.7 Å²	128.7	62%	0.623	77%	0.767	S	S	*	*			cis	-150.4	-172.3	39.6	21.9	8.2	0	0	0	118.3
513	H	34	Very low	31.6	Very low	152 Å²	152	132.8 Å²	132.8	70%	0.704	78%	0.776	S	S	*	*			trans	107.1	116	134.4	-80.1	-37.5	0	0	0	123.1
514	H	34.9	Very low	31.4	Very low	146 Å²	146	133.9 Å²	133.9	68%	0.676	78%	0.783	S	S	*	*			trans	90.1	100.3	147.4	-60	-50.5	0	0	0	122
515	I	30.9	Very low	31.1	Very low	143 Å²	143	135.4 Å²	135.4	73%	0.733	79%	0.787	S	S	*	*				66.1	128.8	116.9	-68.2	167.4	0	0	0	117.7
516	L	31.8	Very low	31.1	Very low	138 Å²	138	137.5 Å²	137.5	72%	0.723	79%	0.789	S	S	*	*			cis	-164.6	148.8	-4.8	179.1	70.1	0	0	0	111.3
517	D	29.2	Very low	30.8	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	79%	0.787	S	S	*	*			trans	-6.2	155.4	165.7	-47	-18.9	0	0	0	123.7
518	G	30.1	Very low	30.8	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	79%	0.789	S	S	*	*				119.3	98.7	123.5	0	0	0	0	0	118.7
519	P	37	Very low	30.7	Very low	137 Å²	137	133.4 Å²	133.4	89%	0.89	79%	0.789	S	S	*	*			trans	-94.1	144.9	173	36	-32.4	0	0	0	113.2
520	G	27.7	Very low	30.7	Very low	80 Å²	80	133.8 Å²	133.8	83%	0.825	79%	0.793	S	S	*	*			trans	177.6	137.3	171.7	0	0	0	0	0	114.4
521	A	28.2	Very low	30.9	Very low	109 Å²	109	133 Å²	133	90%	0.901	79%	0.794	S	S	*	*			trans	-82.4	127.3	-173.4	0	0	0	0	0	114
522	S	27.4	Very low	30.9	Very low	119 Å²	119	134.6 Å²	134.6	83%	0.832	80%	0.799	S	S	*	*			trans	-163.4	143.2	143.5	57.6	0	0	0	0	109.6
523	K	31.9	Very low	30.7	Very low	198 Å²	198	135.3 Å²	135.3	86%	0.861	81%	0.806	S	S	*	*			trans	-146.1	119.5	-179.8	-136.1	177.1	-173.3	-179.9	0	114.1
524	M	29.6	Very low	30.8	Very low	168 Å²	168	136.4 Å²	136.4	83%	0.828	81%	0.811	S	S	*	*			trans	52.9	74.9	153.3	-78.2	167.6	153.7	0	0	119	V526	M524-V526 PolarHBondContact O-N 2.8Å
525	K	27.1	Very low	30.5	Very low	196 Å²	196	137.8 Å²	137.8	85%	0.852	82%	0.822	S	S	*	*			trans	-19.6	121.1	131.5	178.5	-178.8	-177.1	177.3	0	114
526	V	32.2	Very low	30.7	Very low	142 Å²	142	135.7 Å²	135.7	86%	0.861	82%	0.82	S	S	*	*			trans	-112.7	139.1	155.2	175.7	0	0	0	0	107.4	M524	M524-V526 PolarHBondContact O-N 2.8Å
527	S	26.7	Very low	30.8	Very low	92 Å²	92	137.9 Å²	137.9	64%	0.643	83%	0.826	S	S	*	*			trans	-108	126.7	-173.7	52.1	0	0	0	0	112.5
528	C	31.9	Very low	31.2	Very low	135 Å²	135	136.5 Å²	136.5	91%	0.912	83%	0.827	S	S	*	*			trans	-134.6	116.6	156.3	-85.2	0	0	0	0	108.9
529	S	28.2	Very low	31.6	Very low	120 Å²	120	139.6 Å²	139.6	84%	0.839	83%	0.826	S	S	*	*			trans	-134.1	132.1	174.7	53.3	0	0	0	0	108.3
530	G	30.6	Very low	31.6	Very low	71 Å²	71	141.1 Å²	141.1	73%	0.732	82%	0.819	S	S	*	*			trans	107	137.1	-170.6	0	0	0	0	0	111.2
531	L	33.5	Very low	32	Very low	177 Å²	177	145.3 Å²	145.3	93%	0.927	82%	0.817	S	S	*	*			cis	-134.9	139.5	13.9	-69	166.3	0	0	0	111.8
532	E	29.2	Very low	32.4	Very low	190 Å²	190	147.7 Å²	147.7	89%	0.888	81%	0.814	S	S	*	*			trans	-79.5	158.9	159.6	-63.5	171.6	110.2	0	0	110.1
533	S	32.7	Very low	32.6	Very low	110 Å²	110	145.8 Å²	145.8	77%	0.769	81%	0.813	S	S	*	*			trans	-156.7	140.4	154.6	-127.7	0	0	0	0	113.9
534	Q	35.3	Very low	32.4	Very low	176 Å²	176	140.2 Å²	140.2	82%	0.822	81%	0.812	S	S	*	*			trans	69.3	75.2	163.2	-52.4	-164.8	29.3	0	0	117.9
535	I	29	Very low	32.5	Very low	175 Å²	175	139.9 Å²	139.9	90%	0.897	81%	0.813	S	S	*	*			trans	-109.1	126.9	135.2	-63.8	175.6	0	0	0	107.5
536	S	36.4	Very low	32.7	Very low	99 Å²	99	139 Å²	139	69%	0.692	81%	0.812	S	S	*	*			trans	-150.1	100.1	170.1	55.8	0	0	0	0	109
537	Q	33.7	Very low	32.8	Very low	183 Å²	183	136.3 Å²	136.3	86%	0.855	81%	0.805	S	S	*	*				75.6	97	96.5	-80	-161.1	14.4	0	0	115.6
538	C	36.7	Very low	32.9	Very low	118 Å²	118	139.1 Å²	139.1	80%	0.797	82%	0.818	S	S	*	*				-164.8	152.3	126.6	-104.1	0	0	0	0	107.2
539	D	38.2	Very low	33	Very low	136 Å²	136	139 Å²	139	73%	0.727	81%	0.813	S	S	*	*			cis	-140.7	-173.7	1.3	-140.8	-49.7	0	0	0	112.1
540	K	37.3	Very low	33.1	Very low	169 Å²	169	136.2 Å²	136.2	74%	0.735	80%	0.804	S	S	*	*			trans	-111.3	178.8	-161	-56.7	175	-179.6	173.9	0	114.9
541	Q	35.5	Very low	33.4	Very low	168 Å²	168	139.4 Å²	139.4	79%	0.785	81%	0.811	S	S	*	*			trans	76.6	138.3	157.8	-68.6	-176.7	96.8	0	0	116.9
542	L	37.3	Very low	33.1	Very low	159 Å²	159	138 Å²	138	83%	0.832	80%	0.804	S	S	*	*			cis	-131.4	157.6	-15.2	-78.1	120.2	0	0	0	106
543	G	32.4	Very low	33.4	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	80%	0.801	S	S	*	*			cis	126.5	107.1	21	0	0	0	0	0	107
544	G	27.1	Very low	33.2	Very low	81 Å²	81	137.1 Å²	137.1	84%	0.835	80%	0.795	S	S	*	*			trans	-167.9	100	-173	0	0	0	0	0	111.7
545	D	32.2	Very low	33.3	Very low	162 Å²	162	134.5 Å²	134.5	87%	0.866	79%	0.791	S	S	*	*			trans	-159.1	171.3	170.1	-142.1	-27.3	0	0	0	109.8
546	E	31.8	Very low	33.5	Very low	176 Å²	176	133.4 Å²	133.4	82%	0.822	78%	0.782	S	S	*	*			trans	70.6	125	169.2	-66.1	-154.4	110.6	0	0	122.3
547	A	32.6	Very low	33.3	Very low	86 Å²	86	134 Å²	134	71%	0.711	78%	0.777	S	S	*	*				64.1	99.9	129.2	0	0	0	0	0	121.1	T549	A547-T549 PolarHBondContact O-N 2.92Å
548	V	30.4	Very low	33	Very low	151 Å²	151	131.8 Å²	131.8	92%	0.915	77%	0.772	S	S	*	*			trans	-66.4	111.7	148.4	174.1	0	0	0	0	109.7
549	T	33.2	Very low	32.7	Very low	132 Å²	132	134.8 Å²	134.8	81%	0.81	77%	0.771	S	S	*	*			trans	-155.3	128	151.4	-70.3	0	0	0	0	108	A547	A547-T549 PolarHBondContact O-N 2.92Å
550	G	29.4	Very low	32.3	Very low	63 Å²	63	133.9 Å²	133.9	65%	0.649	78%	0.776	S	S	*	*			trans	-82.6	179.7	-172.2	0	0	0	0	0	114.7
551	P	36.9	Very low	31.8	Very low	137 Å²	137	128.9 Å²	128.9	89%	0.89	77%	0.772	S	S	*	*				-106.7	143.7	118.4	-16.4	32.3	0	0	0	113.7
552	L	27.8	Very low	31.4	Very low	147 Å²	147	130 Å²	130	77%	0.77	78%	0.775	S	S	*	*			trans	-74.4	141.5	167	175.1	72.1	0	0	0	110.6	D554	L552-D554 HydrophobicContact CD1-CB 4.26Å
553	I	36.4	Very low	30.9	Very low	161 Å²	161	130.1 Å²	130.1	83%	0.826	77%	0.771	S	S	*	*			trans	175.3	90.1	142.3	-84.5	145.1	0	0	0	103
554	D	28.6	Very low	31.2	Very low	122 Å²	122	133.1 Å²	133.1	65%	0.652	77%	0.773	S	S	*	*				65.2	113.6	69.8	-169	25.9	0	0	0	113.5	L552	L552-D554 HydrophobicContact CD1-CB 4.26Å
555	V	35.8	Very low	31.6	Very low	121 Å²	121	133.5 Å²	133.5	73%	0.733	76%	0.761	S	S	*	*				-172.6	111.3	129.9	143.1	0	0	0	0	109.9
556	Q	33.1	Very low	31.5	Very low	152 Å²	152	133.7 Å²	133.7	71%	0.71	76%	0.757	S	S	*	*			trans	66.7	113.9	144	-63.5	-158.7	-98	0	0	123.8
557	D	32.4	Very low	31.5	Very low	110 Å²	110	128.5 Å²	128.5	59%	0.588	74%	0.739	S	S	*	*				74.3	100	116	-70.7	-52.8	0	0	0	123.5
558	N	28.2	Very low	31.5	Very low	138 Å²	138	130.2 Å²	130.2	74%	0.738	75%	0.746	S	S	*	*				69.7	140.6	104.2	-89.9	-54.1	0	0	0	123.3
559	K	30.8	Very low	31.7	Very low	180 Å²	180	130 Å²	130	78%	0.783	73%	0.734	S	S	*	*			trans	76.7	137.3	154.3	-72.9	175	175.7	176.1	0	120.4
560	S	29.2	Very low	31.6	Very low	118 Å²	118	130.1 Å²	130.1	83%	0.825	73%	0.73	S	S	*	*			trans	61.4	137.3	161.8	24.4	0	0	0	0	116
561	G	27.4	Very low	31.7	Very low	64 Å²	64	134 Å²	134	66%	0.66	73%	0.73	S	S	*	*			cis	97.6	125.6	10.8	0	0	0	0	0	110.6
562	F	26.6	Very low	31.5	Very low	191 Å²	191	134.1 Å²	134.1	84%	0.838	72%	0.719	S	S	*	*			trans	74.4	151.3	-162.5	-85.6	-109.1	0	0	0	116.2
563	E	27.3	Very low	31.7	Very low	161 Å²	161	133.5 Å²	133.5	75%	0.752	72%	0.717	S	S	*	*			trans	57.7	94.6	154.7	-73.7	153.4	-158.1	0	0	119.8
564	V	37.3	Very low	31.5	Very low	142 Å²	142	133.9 Å²	133.9	86%	0.861	72%	0.715	S	S	*	*			trans	-67.8	131.8	135	175.8	0	0	0	0	107.4
565	P	36.5	Very low	31.7	Very low	89 Å²	89	137.1 Å²	137.1	58%	0.578	72%	0.723	S	S	*	*				-144.5	136	120.9	36.5	-21.7	0	0	0	114.5
566	E	29.6	Very low	31.4	Very low	167 Å²	167	138 Å²	138	78%	0.78	72%	0.722	S	S	*	*				65	167.1	129.5	-64.3	-167.7	97.7	0	0	120.5
567	C	31.1	Very low	31.2	Very low	66 Å²	66	139.9 Å²	139.9	45%	0.446	73%	0.731	S	S	.	*			cis	-147.1	152.8	-5.6	-137.6	0	0	0	0	113.5	Q569	C567-Q569 HydrophobicContact CB-CG 3.86Å; C567-Q569 WeakPolarHBondContact SG-CG 3.38Å; C567-Q569 PolarHBondContact SG-NE2 2.94Å
568	S	32.4	Very low	31.1	Very low	122 Å²	122	139.7 Å²	139.7	85%	0.853	73%	0.734	S	S	*	*	S	Bend	trans	-175.5	63.3	152.6	-78.2	0	0	0	0	107.2
569	Q	35	Very low	31	Very low	146 Å²	146	141.1 Å²	141.1	68%	0.682	74%	0.741	S	S	*	*				63.5	124.2	88	-65	-157.6	-10.8	0	0	113.4	C567	C567-Q569 HydrophobicContact CB-CG 3.86Å; C567-Q569 WeakPolarHBondContact SG-CG 3.38Å; C567-Q569 PolarHBondContact SG-NE2 2.94Å
570	L	31.3	Very low	31	Very low	135 Å²	135	136 Å²	136	71%	0.707	74%	0.741	S	S	*	*			cis	-144.4	168.8	-5.7	-90.2	154.3	0	0	0	106
571	H	31.2	Very low	30.9	Very low	144 Å²	144	137 Å²	137	67%	0.667	74%	0.741	S	S	*	*			cis	-157.8	135.6	26.9	-156.4	-4.9	0	0	0	108.5
572	E	33.5	Very low	31	Very low	141 Å²	141	140.3 Å²	140.3	66%	0.659	74%	0.743	S	S	*	*			trans	27.5	143	143.4	-76	159.8	-120.4	0	0	123.1
573	D	32.3	Very low	31.2	Very low	134 Å²	134	139 Å²	139	72%	0.717	74%	0.739	S	S	*	*			cis	-160.3	172.8	-14.9	-145.8	-14.9	0	0	0	112.7
574	H	32.7	Very low	31.2	Very low	168 Å²	168	139 Å²	139	78%	0.778	74%	0.737	S	S	*	*			trans	-75	145.4	177.7	-55	-85.3	0	0	0	113.9
575	K	31.7	Very low	31.1	Very low	190 Å²	190	138.3 Å²	138.3	83%	0.826	73%	0.733	S	S	*	*				-165.9	137.5	116.5	-113.2	175.2	-177.3	176.1	0	117.3
576	I	29.4	Very low	30.9	Very low	141 Å²	141	140.7 Å²	140.7	72%	0.723	74%	0.736	S	S	*	*			trans	-10.5	126.4	133.9	-55.1	153.9	0	0	0	114.5
577	E	30.1	Very low	31.2	Very low	190 Å²	190	139.1 Å²	139.1	89%	0.888	73%	0.733	S	S	*	*				-158.9	152.1	120.5	-121.2	177.1	157.3	0	0	116.8
578	T	28.9	Very low	31.4	Very low	106 Å²	106	142 Å²	142	65%	0.65	74%	0.738	S	S	*	*			trans	-79	154.7	171.5	-23.6	0	0	0	0	110.3	G580	T578-G580 PolarHBondContact O-N 3.4Å
579	N	27.6	Very low	31.5	Very low	168 Å²	168	139.3 Å²	139.3	90%	0.898	73%	0.73	S	S	*	*	S	Bend	trans	23.3	80.9	153.3	-63	-4.8	0	0	0	117.6
580	G	30.4	Very low	31.5	Very low	74 Å²	74	141.7 Å²	141.7	76%	0.763	73%	0.732	S	S	*	*			trans	-140.1	125.3	173.3	0	0	0	0	0	112.3	T578	T578-G580 PolarHBondContact O-N 3.4Å
581	T	25.7	Very low	31.5	Very low	137 Å²	137	142.1 Å²	142.1	84%	0.84	73%	0.731	S	S	*	*			trans	-107.5	167.4	171.4	-57.5	0	0	0	0	109.2
582	I	30.6	Very low	31.6	Very low	134 Å²	134	142.9 Å²	142.9	69%	0.687	73%	0.732	S	S	*	*			trans	85.7	102.4	178.5	-50	169.8	0	0	0	111.1	F584	I582-F584 HydrophobicContact CG2-CD2 4.21Å; I582-F584 HydrophobicContact CG2-CE2 3.91Å
583	Q	30.3	Very low	31.6	Very low	164 Å²	164	141.9 Å²	141.9	77%	0.766	74%	0.736	S	S	*	*			cis	94.9	164.1	49	-170.5	175.1	34.5	0	0	112.2
584	F	28.5	Very low	31.7	Very low	162 Å²	162	142.3 Å²	142.3	71%	0.711	74%	0.736	S	S	*	*			trans	83	138.5	-172.8	-50.9	-71.9	0	0	0	113.9	I582	I582-F584 HydrophobicContact CG2-CD2 4.21Å; I582-F584 HydrophobicContact CG2-CE2 3.91Å
585	V	34.5	Very low	31.5	Very low	126 Å²	126	140.7 Å²	140.7	76%	0.764	74%	0.738	S	S	*	*			cis	-121.9	138.1	6.1	175.6	0	0	0	0	112.1
586	E	33.2	Very low	31.3	Very low	139 Å²	139	134.6 Å²	134.6	65%	0.65	73%	0.73	S	S	*	*			trans	-9.1	155.7	152.9	-35.6	-178.1	107.8	0	0	119.3
587	D	34.1	Very low	31.1	Very low	134 Å²	134	136.7 Å²	136.7	72%	0.717	74%	0.736	S	S	*	*				-120	136	69.4	-151.7	14.3	0	0	0	118.3
588	K	36.1	Very low	30.8	Very low	127 Å²	127	133 Å²	133	55%	0.552	73%	0.727	S	S	*	*			trans	-4.8	121.3	170.5	-66.2	157.4	-162.1	78.2	0	120
589	G	34.1	Very low	30.5	Very low	66 Å²	66	136.7 Å²	136.7	68%	0.68	74%	0.737	S	S	*	*			trans	-118.8	-47.6	166.9	0	0	0	0	0	116.2
590	R	34.9	Very low	30.4	Very low	195 Å²	195	132.7 Å²	132.7	74%	0.736	73%	0.727	S	S	*	*			trans	74.3	106.3	-172.3	-64.4	164.7	-77.9	-114.5	-1.7	113.5
591	E	32.6	Very low	30.2	Very low	144 Å²	144	134.5 Å²	134.5	67%	0.673	73%	0.728	S	S	*	*				87.8	136.1	85.2	-83.9	-171.7	120.5	0	0	112.7
592	K	32.5	Very low	30.2	Very low	161 Å²	161	136.3 Å²	136.3	70%	0.7	73%	0.727	S	S	*	*			cis	-171.2	177.4	-2.1	-136.2	175.6	-165.9	157.2	0	110.5
593	V	33.2	Very low	30.1	Very low	120 Å²	120	138.2 Å²	138.2	73%	0.727	73%	0.733	S	S	*	*			trans	71.2	140	145.3	156.9	0	0	0	0	117.3
594	I	34.7	Very low	30.8	Very low	143 Å²	143	136.4 Å²	136.4	73%	0.733	74%	0.736	S	S	*	*			cis	-150.6	156.7	-12.8	-117.7	170.8	0	0	0	112
595	T	29.3	Very low	30.8	Very low	133 Å²	133	131.7 Å²	131.7	82%	0.816	73%	0.733	S	S	*	*			trans	-32.6	159.3	159.8	-29.9	0	0	0	0	118.5
596	G	26.4	Very low	30.9	Very low	63 Å²	63	136.2 Å²	136.2	65%	0.649	74%	0.742	S	S	*	*			trans	131	106.8	135.1	0	0	0	0	0	119.2
597	E	24.6	Very low	30.8	Very low	184 Å²	184	138.9 Å²	138.9	86%	0.86	76%	0.755	S	S	*	*			trans	20.2	133.9	136.6	-64.2	-176.9	113.4	0	0	123.1
598	T	23.8	Very low	30.7	Very low	113 Å²	113	141.3 Å²	141.3	69%	0.693	76%	0.762	S	S	*	*				63.9	95.3	128.6	-50.5	0	0	0	0	120.8
599	Q	23.9	Very low	30.5	Very low	183 Å²	183	139.4 Å²	139.4	86%	0.855	77%	0.77	S	S	*	*			trans	75.1	146.6	131.3	-162	173	-0.5	0	0	120.5
600	A	24.7	Very low	30.6	Very low	85 Å²	85	141.9 Å²	141.9	70%	0.702	77%	0.774	S	S	*	*			trans	81.8	103.2	167.7	0	0	0	0	0	120
601	S	25.7	Very low	30.4	Very low	112 Å²	112	142.4 Å²	142.4	78%	0.783	78%	0.782	S	S	*	*				46.8	110.8	122	-47	0	0	0	0	121
602	Q	26.6	Very low	30.2	Very low	175 Å²	175	143.5 Å²	143.5	82%	0.818	79%	0.787	S	S	*	*				172.4	150.5	102.6	-94.1	-172.9	-75.5	0	0	114.5
603	E	29	Very low	30	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	79%	0.788	S	S	*	*			trans	72.6	153.3	155	-74.2	-161.2	164	0	0	120.8
604	P	43.9	Very low	29.6	Very low	126 Å²	126	141.8 Å²	141.8	82%	0.818	79%	0.786	S	S	*	*				-120.1	160.7	-127.2	42.1	-35.6	0	0	0	117.3
605	G	29.9	Very low	29.4	Very low	63 Å²	63	141.7 Å²	141.7	65%	0.649	79%	0.792	S	S	*	*			trans	175.1	71.6	167.3	0	0	0	0	0	117.5
606	F	34.9	Very low	29.5	Very low	220 Å²	220	139.8 Å²	139.8	97%	0.965	78%	0.784	S	S	*	*			trans	58.3	107.4	166.2	-56.2	-79.3	0	0	0	117.8
607	E	32.1	Very low	29.6	Very low	196 Å²	196	148.2 Å²	148.2	92%	0.916	80%	0.796	S	S	*	*			trans	-142.3	143.1	-176.8	178.7	171.1	-145.2	0	0	110.8
608	E	31.3	Very low	29.9	Very low	185 Å²	185	144.8 Å²	144.8	86%	0.864	78%	0.784	S	S	*	*				162.1	139.8	127	-173.3	155.4	-145.8	0	0	114.5
609	A	32.2	Very low	30.4	Very low	86 Å²	86	148.7 Å²	148.7	71%	0.711	79%	0.791	S	S	*	*			trans	42	105.6	157.4	0	0	0	0	0	123
610	P	35.8	Very low	30.8	Very low	119 Å²	119	147 Å²	147	77%	0.773	78%	0.783	S	S	*	*			trans	-113.7	128.6	146.1	34.7	-25.5	0	0	0	112.3
611	K	30.8	Very low	31	Very low	206 Å²	206	147.9 Å²	147.9	90%	0.896	78%	0.784	S	S	*	*			trans	-171.9	172.5	169.6	-109.3	148.2	-170.9	172.6	0	114.1
612	E	29.4	Very low	31.5	Very low	166 Å²	166	150.4 Å²	150.4	78%	0.776	79%	0.787	S	S	*	*			trans	72.2	139.4	168.9	-57.5	-149.5	166.8	0	0	118.2
613	M	27.2	Very low	31.6	Very low	146 Å²	146	147.9 Å²	147.9	72%	0.719	78%	0.783	S	S	*	*			cis	-153.6	158.1	-21.5	-159.3	83.7	81.2	0	0	109.3
614	S	25.7	Very low	31.9	Very low	100 Å²	100	146.7 Å²	146.7	70%	0.699	78%	0.782	S	S	*	*			trans	-67.3	139.5	179.8	50.9	0	0	0	0	115.1
615	V	30.8	Very low	31.4	Very low	140 Å²	140	148 Å²	148	85%	0.848	78%	0.781	S	S	*	*			trans	-137.4	68.7	150	-167.2	0	0	0	0	110.5	R617	V615-R617 PolarHBondContact O-N 2.87Å
616	S	29.9	Very low	31.6	Very low	94 Å²	94	153.7 Å²	153.7	66%	0.657	79%	0.791	S	S	*	*			trans	-64.6	123.5	159.2	46.2	0	0	0	0	108.8	N618	S616-N618 PolarHBondContact O-N 2.97Å
617	R	29.9	Very low	31.7	Very low	239 Å²	239	149.6 Å²	149.6	90%	0.902	78%	0.784	S	S	*	*			trans	-76.9	87.9	-170.9	-164.6	179.3	-162.3	165.4	5.6	111.5	V615 K619	V615-R617 PolarHBondContact O-N 2.87Å; R617-K619 PolarHBondContact O-N 2.95Å
618	N	30.7	Very low	31.8	Very low	113 Å²	113	150.3 Å²	150.3	60%	0.604	78%	0.784	S	S	*	*			trans	-47.7	107	-178.8	-91.8	5.3	0	0	0	113.1	S616 H620	S616-N618 PolarHBondContact O-N 2.97Å; N618-H620 PolarHBondContact ND2-CE1 2.98Å; N618-H620 PolarHBondContact ND2-NE2 3.42Å; N618-H620 PolarHBondContact O-N 3.4Å
619	K	34.3	Very low	32	Very low	195 Å²	195	145.1 Å²	145.1	85%	0.848	78%	0.78	S	S	*	*			trans	-74.6	92.1	155.2	-75.3	-173.1	174.3	-172.6	0	107.4	R617 S621	R617-K619 PolarHBondContact O-N 2.95Å; K619-S621 PolarHBondContact O-N 2.82Å
620	H	32.5	Very low	32.2	Very low	147 Å²	147	151 Å²	151	68%	0.681	79%	0.79	S	S	*	*			trans	-70.8	97.3	168.9	-78	-76.5	0	0	0	109.5	N618 I622	N618-H620 PolarHBondContact ND2-CE1 2.98Å; N618-H620 PolarHBondContact ND2-NE2 3.42Å; N618-H620 PolarHBondContact O-N 3.4Å; H620-I622 PolarHBondContact O-N 3.4Å
621	S	29.3	Very low	32	Very low	103 Å²	103	150.5 Å²	150.5	72%	0.72	80%	0.796	S	S	*	*			trans	-59.2	120.1	164.6	49.1	0	0	0	0	109.4	K619 V623	K619-S621 PolarHBondContact O-N 2.82Å; S621-V623 PolarHBondContact O-N 2.93Å
622	I	34.7	Very low	32.5	Very low	166 Å²	166	148 Å²	148	85%	0.851	79%	0.791	S	S	*	*			trans	-71.4	114.4	172.2	-64.6	176.7	0	0	0	107.6	H620 L624	H620-I622 PolarHBondContact O-N 3.4Å; I622-L624 PolarHBondContact O-N 3.09Å
623	V	30.3	Very low	32.7	Very low	122 Å²	122	149.9 Å²	149.9	74%	0.739	80%	0.796	S	S	*	*			trans	-72.7	117.7	171.9	177.2	0	0	0	0	108.2	S621	S621-V623 PolarHBondContact O-N 2.93Å
624	L	33.5	Very low	33.1	Very low	148 Å²	148	149.6 Å²	149.6	78%	0.775	80%	0.803	S	S	*	*			trans	-79.9	134	169.5	-168.2	69.5	0	0	0	109.1	I622 E626	I622-L624 PolarHBondContact O-N 3.09Å; L624-E626 PolarHBondContact O-N 3.03Å
625	L	34.8	Very low	33.6	Very low	155 Å²	155	156 Å²	156	81%	0.812	81%	0.812	S	S	*	*			trans	-83.5	102.6	179.3	-83.9	162	0	0	0	111	T627	L625-T627 PolarHBondContact O-N 3.49Å
626	E	34.2	Very low	33.8	Very low	182 Å²	182	156.4 Å²	156.4	85%	0.85	80%	0.804	S	S	*	*			trans	-84.6	100.7	168	-70.4	-165.1	152.5	0	0	111.8	L624 K628	L624-E626 PolarHBondContact O-N 3.03Å; E626-K628 PolarHBondContact O-N 3.03Å
627	T	37	Very low	34	Very low	134 Å²	134	157.5 Å²	157.5	82%	0.822	81%	0.807	S	S	*	*			trans	-86.4	81.8	171.3	50.1	0	0	0	0	111.9	L625	L625-T627 PolarHBondContact O-N 3.49Å
628	K	33.1	Very low	34.2	Very low	210 Å²	210	153.6 Å²	153.6	91%	0.913	80%	0.796	S	S	*	*			trans	35.8	85.1	160.4	-73.3	-175.2	173.1	178.3	0	117.6	E626	E626-K628 PolarHBondContact O-N 3.03Å
629	G	35.4	Very low	34.5	Very low	77 Å²	77	156 Å²	156	79%	0.794	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-94	157.2	152.3	0	0	0	0	0	111.9
630	K	36.1	Very low	34.5	Very low	209 Å²	209	152.5 Å²	152.5	91%	0.909	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70.2	133.9	177.6	-78.7	-178.5	177.5	175.3	0	111.4	I632	K630-I632 PolarHBondContact O-N 3.15Å
631	A	33.5	Very low	34.6	Very low	108 Å²	108	153.4 Å²	153.4	89%	0.893	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.4	122.8	177.5	0	0	0	0	0	112.4
632	I	41.2	Very low	34.9	Very low	154 Å²	154	152.3 Å²	152.3	79%	0.79	81%	0.809	S	S	*	*			trans	-104.3	129.3	166.1	-63.2	177.6	0	0	0	107.4	K630 T634	K630-I632 PolarHBondContact O-N 3.15Å; I632-T634 PolarHBondContact O-N 2.88Å; I632-T634 VanDerWaalsContact O-N 3.09Å
633	K	32.2	Very low	34.9	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	81%	0.808	S	S	*	*			trans	-75.9	93.5	179.9	-73.7	-178.8	175.2	178.3	0	111.3
634	T	36	Very low	35.3	Very low	141 Å²	141	150.5 Å²	150.5	87%	0.865	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.5	132.5	159.9	-0.7	0	0	0	0	109.5	I632	I632-T634 PolarHBondContact O-N 2.88Å; I632-T634 VanDerWaalsContact O-N 3.09Å
635	R	35.4	Very low	35.2	Very low	234 Å²	234	154.6 Å²	154.6	88%	0.883	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-83.6	135.5	175.2	-90.5	177.8	159.3	143.5	-8.2	110.4	V637	R635-V637 PolarHBondContact O-N 2.87Å
636	E	35	Very low	35.1	Very low	148 Å²	148	155.7 Å²	155.7	69%	0.692	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62.4	118.1	164	-175.5	-167.4	163.4	0	0	109.3	K638	E636-K638 WeakPolarHBondContact OE1-CE 3.36Å; E636-K638 IonicContact OE1-NZ 3.39Å; E636-K638 PolarHBondContact OE1-NZ 2.95Å; E636-K638 IonicContact OE2-NZ 3.73Å
637	V	35.8	Very low	35.1	Very low	118 Å²	118	158.8 Å²	158.8	72%	0.715	82%	0.817	S	S	*	*			trans	-99.7	93.5	176.9	-177.8	0	0	0	0	109.2	R635 L639	R635-V637 PolarHBondContact O-N 2.87Å; V637-L639 HydrophobicContact CG1-CG 4.34Å; V637-L639 PolarHBondContact O-N 2.82Å
638	K	34.3	Very low	34.8	Very low	156 Å²	156	159.4 Å²	159.4	68%	0.678	81%	0.811	S	S	*	*			trans	-76.3	101.1	166.5	-80.6	-179.3	165.4	112.9	0	109.6	E636 V640	E636-K638 WeakPolarHBondContact OE1-CE 3.36Å; E636-K638 IonicContact OE1-NZ 3.39Å; E636-K638 PolarHBondContact OE1-NZ 2.95Å; E636-K638 IonicContact OE2-NZ 3.73Å; K638-V640 PolarHBondContact O-N 2.8Å; K638-V640 VanDerWaalsContact O-N 3.13Å
639	L	35.5	Very low	35	Very low	163 Å²	163	158.9 Å²	158.9	85%	0.853	81%	0.812	S	S	*	*			trans	-73.1	98.4	167.1	-79.1	172	0	0	0	109.8	V637	V637-L639 HydrophobicContact CG1-CG 4.34Å; V637-L639 PolarHBondContact O-N 2.82Å
640	V	33.8	Very low	35	Very low	123 Å²	123	163.3 Å²	163.3	75%	0.745	81%	0.812	S	S	*	*			trans	-88.6	103.7	168.1	179	0	0	0	0	108.1	K638 A642	K638-V640 PolarHBondContact O-N 2.8Å; K638-V640 VanDerWaalsContact O-N 3.13Å; V640-A642 PolarHBondContact O-N 2.85Å
641	L	35.9	Very low	35	Very low	166 Å²	166	160.9 Å²	160.9	87%	0.869	80%	0.804	S	S	*	*			trans	-86.3	85.6	-179.9	-133.7	170	0	0	0	109.9
642	A	34.3	Very low	35.1	Very low	79 Å²	79	163.8 Å²	163.8	65%	0.653	80%	0.799	S	S	*	*			trans	-84.9	123.8	-179.3	0	0	0	0	0	111.8	V640 P644	V640-A642 PolarHBondContact O-N 2.85Å; A642-P644 WeakPolarHBondContact O-CD 3.32Å
643	T	36.7	Very low	34.6	Very low	136 Å²	136	159.8 Å²	159.8	83%	0.834	80%	0.796	S	S	*	*			trans	-84.3	126.4	176.1	51.3	0	0	0	0	112.2
644	P	37	Very low	34.8	Very low	115 Å²	115	155.7 Å²	155.7	75%	0.747	79%	0.79	S	S	*	*			trans	-111.8	112.3	170.8	34.6	-22.3	0	0	0	112	A642	A642-P644 WeakPolarHBondContact O-CD 3.32Å
645	Y	31.6	Very low	34.6	Very low	234 Å²	234	157.5 Å²	157.5	92%	0.918	79%	0.789	S	S	*	*			trans	-138.7	107.3	155.7	-120	-82.2	0	0	0	109.7
646	K	33.5	Very low	34.4	Very low	178 Å²	178	150.3 Å²	150.3	77%	0.774	78%	0.779	S	S	*	*			trans	-81.8	143.3	172.5	-77.2	-171.3	174.8	-172.4	0	110.3
647	R	34.5	Very low	34	Very low	246 Å²	246	148.8 Å²	148.8	93%	0.928	78%	0.784	S	S	*	*				-127.3	144.7	128.1	-69.9	-169.8	-174.9	168	3.9	107.9
648	Q	30.8	Very low	33.8	Very low	148 Å²	148	148 Å²	148	69%	0.692	78%	0.783	S	S	*	*			trans	-86.6	150.5	166.6	-69.5	162.3	-103.9	0	0	107.9
649	E	37.4	Very low	33.8	Very low	199 Å²	199	147.1 Å²	147.1	93%	0.93	78%	0.782	S	S	*	*				-158.2	149.2	106.7	-102.9	159.9	-174.9	0	0	108.9
650	E	34.1	Very low	34	Very low	169 Å²	169	148 Å²	148	79%	0.79	78%	0.775	S	S	*	*			trans	-97.7	142	176	-67.3	166.1	95	0	0	107.8
651	E	35.7	Very low	34.3	Very low	158 Å²	158	148.6 Å²	148.6	74%	0.738	77%	0.769	S	S	*	*				178.7	152.7	102.5	-87	-148.4	103	0	0	113.1
652	Q	37.1	Very low	34.4	Very low	169 Å²	169	148.6 Å²	148.6	79%	0.79	76%	0.763	S	S	*	*			trans	14.6	124.4	150.1	-47.1	-171.1	52	0	0	120
653	G	30.3	Very low	34.7	Very low	70 Å²	70	149.5 Å²	149.5	72%	0.722	76%	0.764	S	S	*	*			trans	-90.8	-153.2	154.1	0	0	0	0	0	111.4
654	P	37.1	Very low	34.9	Very low	119 Å²	119	150.1 Å²	150.1	77%	0.773	76%	0.762	S	S	*	*			cis	-131.5	-165.4	-0.2	42.6	-25.3	0	0	0	113.7
655	E	31.2	Very low	35.1	Very low	180 Å²	180	147.5 Å²	147.5	84%	0.841	76%	0.757	S	S	*	*			trans	73.8	132.7	159.2	-70.6	-171.6	-177.1	0	0	122.1
656	A	31.1	Very low	35.5	Very low	83 Å²	83	143.4 Å²	143.4	69%	0.686	75%	0.75	S	S	*	*			trans	67.5	114.6	136.1	0	0	0	0	0	123.1
657	C	27.1	Very low	35.8	Very low	116 Å²	116	140.5 Å²	140.5	78%	0.784	75%	0.748	S	S	*	*			trans	74.7	137.3	135.7	-62.2	0	0	0	0	122.1
658	S	31.7	Very low	36.1	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	73%	0.734	S	S	*	*			trans	66.7	145.3	144.5	55.4	0	0	0	0	120
659	E	34.1	Very low	36.5	Very low	139 Å²	139	131 Å²	131	65%	0.65	74%	0.736	S	S	*	*			cis	-165.4	-178	-12.1	-111.4	169.9	-172.1	0	0	108.4
660	Y	38.6	Very low	36.6	Very low	180 Å²	180	128.4 Å²	128.4	71%	0.706	73%	0.728	S	S	*	*			trans	74.1	119.5	168.2	-54.2	-68.9	0	0	0	117.7
661	E	39.8	Very low	36.7	Very low	136 Å²	136	129 Å²	129	64%	0.636	72%	0.723	S	S	*	*			cis	124	158.1	3.7	-172.4	178.6	-147.8	0	0	111.8
662	F	39.5	Very low	36.8	Very low	167 Å²	167	127.5 Å²	127.5	73%	0.732	72%	0.716	S	S	*	*			trans	78.1	153.1	175	-58.2	-66.3	0	0	0	116.7
663	S	39.2	Very low	36.9	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	72%	0.718	S	S	*	*			cis	-178.3	144.5	-15.8	174.8	0	0	0	0	107.6
664	D	40.5	Very low	37.1	Very low	149 Å²	149	127.2 Å²	127.2	80%	0.797	72%	0.722	S	S	*	*			cis	-160.3	175.3	-3.5	-126.4	-74.6	0	0	0	113.8
665	G	43.2	Very low	37.1	Very low	61 Å²	61	132.5 Å²	132.5	63%	0.629	73%	0.727	S	S	*	*			trans	93.8	141.5	147.4	0	0	0	0	0	118.5
666	N	39.6	Very low	37.1	Very low	147 Å²	147	130.2 Å²	130.2	79%	0.786	72%	0.72	S	S	*	*			cis	-162.8	135.9	-4.9	-156	2.1	0	0	0	112.4
667	T	38.3	Very low	37	Very low	118 Å²	118	132.8 Å²	132.8	72%	0.724	73%	0.727	S	S	*	*			trans	50.7	130.6	141.7	-69.1	0	0	0	0	120.7
668	S	41	Very low	37.4	Very low	90 Å²	90	133.4 Å²	133.4	63%	0.629	73%	0.733	S	S	*	*			cis	-177.7	145	-2.1	52.3	0	0	0	0	113.2
669	S	39.6	Very low	37.5	Very low	105 Å²	105	133.7 Å²	133.7	73%	0.734	74%	0.735	S	S	*	*			trans	55.4	152.7	149	76.8	0	0	0	0	119.8
670	N	39.1	Very low	37.6	Very low	143 Å²	143	132.1 Å²	132.1	77%	0.765	74%	0.739	S	S	*	*			cis	-168.2	174.6	5.7	-130.5	-27.6	0	0	0	107.2
671	R	37.5	Very low	37.7	Very low	183 Å²	183	132.7 Å²	132.7	69%	0.691	75%	0.748	S	S	*	*			cis	-157.2	148.1	-2.1	-171.5	174.1	167.7	121.8	16.2	110.2
672	E	38	Very low	37.8	Very low	125 Å²	125	134.3 Å²	134.3	58%	0.584	76%	0.756	S	S	*	*			trans	24.6	130.1	157	-64.1	171.7	162.1	0	0	124.7
673	N	37.9	Very low	38.1	Very low	156 Å²	156	133 Å²	133	83%	0.834	75%	0.752	S	S	*	*			trans	70.6	128.4	133.9	-59.5	-7.7	0	0	0	122
674	G	35.3	Very low	38.5	Very low	78 Å²	78	132.2 Å²	132.2	80%	0.804	74%	0.737	S	S	*	*			trans	-169.1	-7.2	176	0	0	0	0	0	122.8
675	R	35.9	Very low	39.4	Very low	230 Å²	230	125.2 Å²	125.2	87%	0.868	70%	0.7	S	S	*	*			trans	64.5	118.2	179.1	-74.6	-174.2	175.3	-178.6	-0.7	119.7
676	N	32.8	Very low	40.2	Very low	132 Å²	132	125.1 Å²	125.1	71%	0.706	69%	0.689	S	S	*	*				79.2	121.5	127.3	-60.4	16.2	0	0	0	122.8
677	T	29.2	Very low	41	Very low	137 Å²	137	119.2 Å²	119.2	84%	0.84	66%	0.658	S	S	*	*			trans	62.7	109.2	140.7	55.6	0	0	0	0	120.4
678	S	34.6	Very low	42.1	Very low	128 Å²	128	116.3 Å²	116.3	90%	0.895	64%	0.638	S	S	*	*			trans	-128.6	151.4	145	-172.1	0	0	0	0	109.1
679	S	33.3	Very low	43.3	Very low	107 Å²	107	114.9 Å²	114.9	75%	0.748	62%	0.62	S	S	*	*			trans	-76.2	149.7	-173.1	-169.3	0	0	0	0	112.9
680	S	37.7	Very low	44.4	Very low	105 Å²	105	111.2 Å²	111.2	73%	0.734	59%	0.593	S	S	*	*			trans	-81.4	139.5	160.2	52.2	0	0	0	0	110.4
681	E	39.1	Very low	45.4	Very low	192 Å²	192	108.3 Å²	108.3	90%	0.897	58%	0.577	S	S	*	*			trans	-97.9	110.6	-176.2	55.3	-157.6	97.6	0	0	112.5
682	E	42.9	Very low	46.6	Very low	171 Å²	171	103.6 Å²	103.6	80%	0.799	56%	0.563	S	S	*	*			trans	-86.5	133.9	173.1	-69.8	-168.3	129.6	0	0	111.1	H684	E682-H684 PolarHBondContact O-CD2 3.42Å; E682-H684 PolarHBondContact O-N 2.94Å; E682-H684 VanDerWaalsContact O-N 3.13Å
683	E	45.8	Very low	47.6	Very low	139 Å²	139	104.1 Å²	104.1	65%	0.65	56%	0.56	S	S	*	*			trans	-85.1	95	-176.4	-166.6	164.9	-165.5	0	0	112.6	K689 R1061	E683-K689 VanDerWaalsContact CG-NZ 3.28Å; E683-K689 IonicContact OE1-NZ 3.29Å; E683-K689 PolarHBondContact OE1-NZ 2.92Å; E683-R1061 PolarHBondContact O-NH2 2.81Å
684	H	47	Very low	48.4	Very low	80 Å²	80	102 Å²	102	37%	0.37	54%	0.54	S	S	.	.			trans	-55.4	141.6	178.5	-61.8	-116.4	0	0	0	112.9	E682 L688 K689 E692	E682-H684 PolarHBondContact O-CD2 3.42Å; E682-H684 PolarHBondContact O-N 2.94Å; E682-H684 VanDerWaalsContact O-N 3.13Å; H684-L688 HydrophobicContact CB-CB 4.47Å; H684-K689 HydrophobicContact CB-CD 4.31Å; H684-K689 HydrophobicContact CB-CG 3.61Å; H684-K689 WeakPolarHBondContact O-CD 3.33Å; H684-K689 WeakPolarHBondContact O-CE 3.4Å; H684-K689 PolarHBondContact O-NZ 3.01Å; H684-E692 IonicContact CE1-OE1 2.99Å; H684-E692 PolarHBondContact CE1-OE1 2.78Å; H684-E692 IonicContact CE1-OE2 2.59Å; H684-E692 IonicContact CG-OE2 3.81Å; H684-E692 IonicContact ND1-OE1 3.9Å; H684-E692 PolarHBondContact ND1-OE1 3.1Å; H684-E692 IonicContact ND1-OE2 2.94Å; H684-E692 PolarHBondContact ND1-OE2 2.74Å; H684-E692 IonicContact NE2-OE1 3.81Å
685	S	59.5	Low	49.1	Very low	2 Å²	2	101.3 Å²	101.3	1%	0.014	53%	0.527	C	S	.	.			trans	-67.3	160.9	178.7	79.6	0	0	0	0	112.5	V687 L688 K689	S685-V687 PolarHBondContact O-N 2.89Å; S685-L688 PolarHBondContact O-N 3.32Å; S685-L688 WeakPolarHBondContact OG-CG 3.43Å; S685-L688 PolarHBondContact OG-N 3.01Å; S685-K689 VanDerWaalsContact O-CB 3.3Å; S685-K689 WeakPolarHBondContact O-CB 3.15Å; S685-K689 WeakPolarHBondContact O-CG 3.38Å; S685-K689 PolarHBondContact O-N 3.05Å
686	P	60.9	Low	49.8	Very low	60 Å²	60	94.6 Å²	94.6	39%	0.39	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.2	177.3	-27.7	38.2	0	0	0	113.9	T690	P686-T690 WeakPolarHBondContact O-CB 3.42Å; P686-T690 PolarHBondContact O-N 2.71Å; P686-T690 PolarHBondContact O-OG1 3.41Å
687	V	56.2	Low	50.7	Low	22 Å²	22	97.3 Å²	97.3	13%	0.133	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-49.1	175.4	-170.5	0	0	0	0	110.4	S685 T690 L691 P1030 Y1098	S685-V687 PolarHBondContact O-N 2.89Å; V687-T690 CarbonylContact O-C 3.6Å; V687-T690 WeakPolarHBondContact O-CA 3.47Å; V687-T690 WeakPolarHBondContact O-CB 3.42Å; V687-T690 PolarHBondContact O-N 2.99Å; V687-L691 PolarHBondContact O-N 3.05Å; V687-P1030 HydrophobicContact CG1-CG 3.81Å; V687-Y1098 HydrophobicContact CG1-CE2 4.12Å; V687-Y1098 WeakPolarHBondContact CG1-OH 3.42Å
688	L	61.6	Low	51.5	Low	58 Å²	58	99.4 Å²	99.4	30%	0.304	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-46.9	176.9	-68.4	175.9	0	0	0	112.1	H684 S685 T690 L691 E692 Y1098	H684-L688 HydrophobicContact CB-CB 4.47Å; S685-L688 PolarHBondContact O-N 3.32Å; S685-L688 WeakPolarHBondContact OG-CG 3.43Å; S685-L688 PolarHBondContact OG-N 3.01Å; L688-T690 PolarHBondContact O-N 3.12Å; L688-L691 HydrophobicContact CD2-CD2 4.39Å; L688-L691 WeakPolarHBondContact O-CA 3.11Å; L688-L691 WeakPolarHBondContact O-CB 3.27Å; L688-L691 PolarHBondContact O-N 3.38Å; L688-E692 WeakPolarHBondContact O-CG 3.32Å; L688-E692 PolarHBondContact O-N 2.79Å; L688-Y1098 HydrophobicContact CD2-CD1 4.5Å; L688-Y1098 HydrophobicContact CD2-CE1 4.43Å
689	K	64.6	Low	51.9	Low	59 Å²	59	100.5 Å²	100.5	26%	0.257	51%	0.513	S	S	.	.	H	α-helix	trans	-55.5	-18.8	170.8	-73.3	172.3	169.5	145	0	112.3	E683 H684 S685 R693	E683-K689 VanDerWaalsContact CG-NZ 3.28Å; E683-K689 IonicContact OE1-NZ 3.29Å; E683-K689 PolarHBondContact OE1-NZ 2.92Å; H684-K689 HydrophobicContact CB-CD 4.31Å; H684-K689 HydrophobicContact CB-CG 3.61Å; H684-K689 WeakPolarHBondContact O-CD 3.33Å; H684-K689 WeakPolarHBondContact O-CE 3.4Å; H684-K689 PolarHBondContact O-NZ 3.01Å; S685-K689 VanDerWaalsContact O-CB 3.3Å; S685-K689 WeakPolarHBondContact O-CB 3.15Å; S685-K689 WeakPolarHBondContact O-CG 3.38Å; S685-K689 PolarHBondContact O-N 3.05Å; K689-R693 WeakPolarHBondContact O-CB 3.38Å; K689-R693 VanDerWaalsContact O-CD 3.26Å; K689-R693 WeakPolarHBondContact O-CD 3.16Å; K689-R693 WeakPolarHBondContact O-CG 3.22Å; K689-R693 VanDerWaalsContact O-CZ 3.26Å; K689-R693 PolarHBondContact O-NE 2.93Å; K689-R693 PolarHBondContact O-NH1 2.7Å
690	T	63.8	Low	52	Low	28 Å²	28	101.2 Å²	101.2	17%	0.172	52%	0.516	C	S	.	.	H	α-helix	trans	-96.8	-31.1	176.1	-59.1	0	0	0	0	112.9	P686 V687 L688 R694 D1031	P686-T690 WeakPolarHBondContact O-CB 3.42Å; P686-T690 PolarHBondContact O-N 2.71Å; P686-T690 PolarHBondContact O-OG1 3.41Å; V687-T690 CarbonylContact O-C 3.6Å; V687-T690 WeakPolarHBondContact O-CA 3.47Å; V687-T690 WeakPolarHBondContact O-CB 3.42Å; V687-T690 PolarHBondContact O-N 2.99Å; L688-T690 PolarHBondContact O-N 3.12Å; T690-R694 WeakPolarHBondContact O-CG 3.37Å; T690-R694 PolarHBondContact O-N 3.34Å; T690-D1031 HydrophobicContact CG2-CB 4.44Å; T690-D1031 VanDerWaalsContact CG2-OD1 3.27Å; T690-D1031 WeakPolarHBondContact CG2-OD1 3.24Å
691	L	59.9	Low	52.3	Low	83 Å²	83	101.5 Å²	101.5	44%	0.435	52%	0.518	S	S	.	.	H	α-helix	trans	-65	-46.6	168.5	-172.6	62.8	0	0	0	111.2	V687 L688 R694 A695	V687-L691 PolarHBondContact O-N 3.05Å; L688-L691 HydrophobicContact CD2-CD2 4.39Å; L688-L691 WeakPolarHBondContact O-CA 3.11Å; L688-L691 WeakPolarHBondContact O-CB 3.27Å; L688-L691 PolarHBondContact O-N 3.38Å; L691-R694 CarbonylContact O-C 3.52Å; L691-R694 WeakPolarHBondContact O-CA 3.5Å; L691-R694 WeakPolarHBondContact O-CB 3.46Å; L691-R694 PolarHBondContact O-N 2.83Å; L691-A695 PolarHBondContact O-N 3.29Å
692	E	62	Low	52.3	Low	84 Å²	84	101.7 Å²	101.7	39%	0.393	52%	0.515	S	S	.	.	H	α-helix	trans	-60.9	-46.5	175.3	-69	176.7	129.6	0	0	112	H684 L688 R694 A695 A696	H684-E692 IonicContact CE1-OE1 2.99Å; H684-E692 PolarHBondContact CE1-OE1 2.78Å; H684-E692 IonicContact CE1-OE2 2.59Å; H684-E692 IonicContact CG-OE2 3.81Å; H684-E692 IonicContact ND1-OE1 3.9Å; H684-E692 PolarHBondContact ND1-OE1 3.1Å; H684-E692 IonicContact ND1-OE2 2.94Å; H684-E692 PolarHBondContact ND1-OE2 2.74Å; H684-E692 IonicContact NE2-OE1 3.81Å; L688-E692 WeakPolarHBondContact O-CG 3.32Å; L688-E692 PolarHBondContact O-N 2.79Å; E692-R694 PolarHBondContact O-N 3.05Å; E692-A695 PolarHBondContact O-N 3.4Å; E692-A696 WeakPolarHBondContact O-CB 3.45Å; E692-A696 PolarHBondContact O-N 3.27Å
693	R	59.8	Low	52.3	Low	135 Å²	135	97.4 Å²	97.4	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-10.8	173.4	-73.4	178.7	-154.6	121.1	-10.2	113.3	K689 R697	K689-R693 WeakPolarHBondContact O-CB 3.38Å; K689-R693 VanDerWaalsContact O-CD 3.26Å; K689-R693 WeakPolarHBondContact O-CD 3.16Å; K689-R693 WeakPolarHBondContact O-CG 3.22Å; K689-R693 VanDerWaalsContact O-CZ 3.26Å; K689-R693 PolarHBondContact O-NE 2.93Å; K689-R693 PolarHBondContact O-NH1 2.7Å; R693-R697 WeakPolarHBondContact O-CD 3.3Å; R693-R697 WeakPolarHBondContact O-CG 3.45Å; R693-R697 PolarHBondContact O-NE 3.13Å; R693-R697 PolarHBondContact O-NH2 3Å
694	R	55.1	Low	52.2	Low	111 Å²	111	98.8 Å²	98.8	42%	0.419	52%	0.515	S	S	.	.	H	α-helix	trans	-95.4	-39.5	167.8	-71.5	166.7	72.7	171.6	-3.7	111.6	T690 L691 E692 R697 P1030 T1032	T690-R694 WeakPolarHBondContact O-CG 3.37Å; T690-R694 PolarHBondContact O-N 3.34Å; L691-R694 CarbonylContact O-C 3.52Å; L691-R694 WeakPolarHBondContact O-CA 3.5Å; L691-R694 WeakPolarHBondContact O-CB 3.46Å; L691-R694 PolarHBondContact O-N 2.83Å; E692-R694 PolarHBondContact O-N 3.05Å; R694-R697 PolarHBondContact O-N 2.72Å; R694-R697 VanDerWaalsContact O-N 3.14Å; R694-P1030 PolarHBondContact NH1-O 2.79Å; R694-T1032 PolarHBondContact NH1-OG1 2.82Å; R694-T1032 VanDerWaalsContact NH1-OG1 3.15Å
695	A	50.3	Low	52	Low	64 Å²	64	101.4 Å²	101.4	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-60.8	-46.4	175.8	0	0	0	0	0	112	L691 E692 R697 K698	L691-A695 PolarHBondContact O-N 3.29Å; E692-A695 PolarHBondContact O-N 3.4Å; A695-R697 PolarHBondContact O-N 2.94Å; A695-K698 PolarHBondContact O-N 3.41Å; A695-K698 VanDerWaalsContact O-N 3.14Å
696	A	49.9	Very low	51.4	Low	89 Å²	89	108.3 Å²	108.3	74%	0.736	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	9.7	174	0	0	0	0	0	114.5	E692	E692-A696 WeakPolarHBondContact O-CB 3.45Å; E692-A696 PolarHBondContact O-N 3.27Å
697	R	52	Low	50.5	Low	189 Å²	189	112.8 Å²	112.8	71%	0.713	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	19	172.2	-59.1	-175.4	-152	-177.5	6.5	113.3	R693 R694 A695	R693-R697 WeakPolarHBondContact O-CD 3.3Å; R693-R697 WeakPolarHBondContact O-CG 3.45Å; R693-R697 PolarHBondContact O-NE 3.13Å; R693-R697 PolarHBondContact O-NH2 3Å; R694-R697 PolarHBondContact O-N 2.72Å; R694-R697 VanDerWaalsContact O-N 3.14Å; A695-R697 PolarHBondContact O-N 2.94Å
698	K	45.5	Very low	50	Low	182 Å²	182	117.5 Å²	117.5	79%	0.791	62%	0.615	S	S	*	*	S	Bend	trans	-64.5	152	155.6	-73.3	-171	175.6	-178.6	0	109.3	A695	A695-K698 PolarHBondContact O-N 3.41Å; A695-K698 VanDerWaalsContact O-N 3.14Å
699	L	43.1	Very low	48.7	Very low	151 Å²	151	119.8 Å²	119.8	79%	0.791	64%	0.635	S	S	*	*			trans	-64.9	144.8	-166.3	-73.5	71.6	0	0	0	111.7	S701	L699-S701 PolarHBondContact O-N 3.27Å
700	P	34.4	Very low	47.5	Very low	122 Å²	122	124.4 Å²	124.4	79%	0.792	66%	0.663	S	S	*	*			trans	-74	74.8	163	33.1	-34	0	0	0	109.5	K702	P700-K702 VanDerWaalsContact C-N 3.26Å; P700-K702 PolarHBondContact O-N 3.02Å
701	S	44	Very low	46.2	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	69%	0.688	S	S	*	*			trans	-72.2	82.9	168.8	54	0	0	0	0	109.4	L699	L699-S701 PolarHBondContact O-N 3.27Å
702	K	40	Very low	45	Very low	196 Å²	196	128.3 Å²	128.3	85%	0.852	70%	0.698	S	S	*	*			trans	-74.2	122.2	163.3	-64.6	-168.3	174.8	-165.5	0	108.2	P700	P700-K702 VanDerWaalsContact C-N 3.26Å; P700-K702 PolarHBondContact O-N 3.02Å
703	S	42.1	Very low	44.1	Very low	80 Å²	80	132.4 Å²	132.4	56%	0.559	72%	0.723	S	S	*	*			trans	-59.7	162.8	160.6	38.8	0	0	0	0	110.3	E705	S703-E705 VanDerWaalsContact C-N 3.33Å
704	L	44.4	Very low	43	Very low	169 Å²	169	134.9 Å²	134.9	89%	0.885	74%	0.74	S	S	*	*	S	Bend	trans	-104.7	25.9	175	-160.7	88	0	0	0	110.7
705	E	44.2	Very low	42.3	Very low	134 Å²	134	134.3 Å²	134.3	63%	0.626	76%	0.759	S	S	*	*			trans	-131.7	152.9	-179.1	-62.8	80.7	-172.2	0	0	107.2	S703	S703-E705 VanDerWaalsContact C-N 3.33Å
706	D	45.2	Very low	41.7	Very low	148 Å²	148	140.5 Å²	140.5	79%	0.791	77%	0.774	S	S	*	*			trans	85.7	71.8	-170.2	-55.6	-27.8	0	0	0	117
707	I	42	Very low	41.4	Very low	154 Å²	154	141.7 Å²	141.7	79%	0.79	77%	0.772	S	S	*	*			trans	-121.6	83.2	148.4	-53.2	179.7	0	0	0	109	S709	I707-S709 PolarHBondContact O-N 2.8Å
708	P	45.8	Very low	40.6	Very low	121 Å²	121	138.9 Å²	138.9	79%	0.786	77%	0.771	S	S	*	*			trans	-71.5	108.4	167.4	29.6	-31.9	0	0	0	109.1
709	S	34.8	Very low	40.3	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	77%	0.769	S	S	*	*			trans	-99.2	102.4	173.6	-60.6	0	0	0	0	109.6	I707	I707-S709 PolarHBondContact O-N 2.8Å
710	D	39.1	Very low	40	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	77%	0.771	S	S	*	*			trans	-147.8	167.8	162.5	-140.4	-38.2	0	0	0	112.3
711	S	36.5	Very low	40.2	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	77%	0.766	S	S	*	*			trans	-73.8	152.5	-154.7	60.4	0	0	0	0	116.5
712	S	35.9	Very low	39.8	Very low	93 Å²	93	140 Å²	140	65%	0.65	77%	0.77	S	S	*	*				166.5	126.4	105.3	-176.1	0	0	0	0	112.3
713	N	41.7	Very low	39.7	Very low	169 Å²	169	139 Å²	139	90%	0.904	77%	0.768	S	S	*	*			trans	-168.6	150	145.5	-102.1	-52.1	0	0	0	110.3
714	Q	37.9	Very low	39.7	Very low	188 Å²	188	141 Å²	141	88%	0.879	77%	0.772	S	S	*	*			trans	-104.5	123.8	-163.1	-56.7	177	17.6	0	0	114.5
715	A	39.1	Very low	39.4	Very low	98 Å²	98	138.4 Å²	138.4	81%	0.81	76%	0.763	S	S	*	*			trans	-169.4	106.7	147.7	0	0	0	0	0	108.1
716	K	38.3	Very low	39.2	Very low	195 Å²	195	142.5 Å²	142.5	85%	0.848	77%	0.773	S	S	*	*				86.6	123	64.3	-163.9	-156.8	178.5	-178.8	0	112.5
717	V	43	Very low	38.8	Very low	114 Å²	114	140.9 Å²	140.9	69%	0.691	77%	0.773	S	S	*	*			trans	75.9	130.3	177.1	-168.1	0	0	0	0	115.7
718	D	36.6	Very low	38.7	Very low	129 Å²	129	137.8 Å²	137.8	69%	0.69	77%	0.77	S	S	*	*			cis	-165.8	164.3	-32.6	-93.2	-26.8	0	0	0	109
719	N	37.8	Very low	38.3	Very low	140 Å²	140	140.7 Å²	140.7	75%	0.749	77%	0.773	S	S	*	*			trans	72.5	88	160.7	-56.2	-43.5	0	0	0	121.5
720	L	37.2	Very low	38.5	Very low	162 Å²	162	143.3 Å²	143.3	85%	0.848	78%	0.779	S	S	*	*				55.4	156.9	106.2	-66.3	174.8	0	0	0	122.9
721	P	39.2	Very low	38.5	Very low	105 Å²	105	141.6 Å²	141.6	68%	0.682	77%	0.77	S	S	*	*			trans	-139.6	-137.7	-143.4	43.5	-20.7	0	0	0	114.6
722	E	35	Very low	38.5	Very low	182 Å²	182	143.4 Å²	143.4	85%	0.85	77%	0.767	S	S	*	*			trans	89.6	166.9	161	-88.5	167.7	-157.9	0	0	121.1
723	E	38.2	Very low	38.3	Very low	175 Å²	175	148 Å²	148	82%	0.818	78%	0.776	S	S	*	*			trans	68.7	136.5	-173	-63.6	-148.7	113.4	0	0	117.9
724	L	41.6	Very low	38.1	Very low	122 Å²	122	144.1 Å²	144.1	64%	0.639	77%	0.767	S	S	*	*			cis	-154.1	132.1	-15.9	-91.2	169.7	0	0	0	105.3
725	V	38.9	Very low	37.9	Very low	115 Å²	115	142.6 Å²	142.6	70%	0.697	77%	0.765	S	S	*	*				61.9	101.4	63.3	-173.3	0	0	0	0	116
726	R	38.9	Very low	37.7	Very low	221 Å²	221	147.1 Å²	147.1	83%	0.834	77%	0.769	S	S	*	*			trans	176	122.9	138.1	-90.8	147.4	-158.5	-139.7	2.7	108.8
727	S	36.6	Very low	37.6	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	77%	0.769	S	S	*	*				75.5	135.5	67.2	-59.2	0	0	0	0	113
728	A	39.9	Very low	37.4	Very low	89 Å²	89	145.3 Å²	145.3	74%	0.736	76%	0.764	S	S	*	*			cis	-162	179.1	-8.3	0	0	0	0	0	109.9
729	E	38.5	Very low	37.1	Very low	183 Å²	183	145.7 Å²	145.7	86%	0.855	77%	0.766	S	S	*	*			trans	-70.6	153.7	178	-59.1	94.4	129.5	0	0	115.2
730	D	38.8	Very low	37.1	Very low	160 Å²	160	145.3 Å²	145.3	86%	0.856	77%	0.769	S	S	*	*			trans	-159.6	-179.7	148.7	-145.7	-6.5	0	0	0	114.2
731	D	39.7	Very low	37.2	Very low	119 Å²	119	143.1 Å²	143.1	64%	0.636	76%	0.758	S	S	*	*			trans	-73.7	152.1	-149.5	-111	-19.2	0	0	0	123.8
732	Q	35.2	Very low	37.1	Very low	139 Å²	139	145.8 Å²	145.8	65%	0.65	76%	0.761	S	S	*	*			trans	38.8	133.2	133.2	-72.9	175.7	75.1	0	0	127
733	K	33.2	Very low	37.1	Very low	191 Å²	191	142.4 Å²	142.4	83%	0.83	76%	0.757	S	S	*	*			trans	72.3	167.7	134	-83.4	-170.7	171.5	-175.7	0	122.6
734	A	37	Very low	36.9	Very low	87 Å²	87	141.8 Å²	141.8	72%	0.719	76%	0.757	S	S	*	*			trans	71.2	128.2	-174.5	0	0	0	0	0	113.9
735	D	34	Very low	36.7	Very low	155 Å²	155	141 Å²	141	83%	0.829	76%	0.76	S	S	*	*			cis	88.8	133	43	-73.8	-52.7	0	0	0	114
736	Q	33.7	Very low	36.3	Very low	193 Å²	193	138.9 Å²	138.9	90%	0.902	76%	0.761	S	S	*	*			trans	88.5	119.8	171.4	-55	-176.6	28.6	0	0	119.6
737	E	36	Very low	36	Very low	180 Å²	180	136 Å²	136	84%	0.841	76%	0.761	S	S	*	*			trans	-66.9	177.2	148.6	-108.8	-159.6	-147.1	0	0	111.1
738	P	40.3	Very low	35.6	Very low	91 Å²	91	135.8 Å²	135.8	59%	0.591	76%	0.759	S	S	*	*			cis	-139.1	-155.5	21.7	42.9	-22.2	0	0	0	114.6
739	D	30.7	Very low	35.2	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	76%	0.759	S	S	*	*			trans	57.7	109.2	161.2	-68.2	-38.4	0	0	0	117
740	T	36.1	Very low	35.1	Very low	133 Å²	133	134.4 Å²	134.4	82%	0.816	75%	0.754	S	S	*	*				-174.6	158	81.9	22.1	0	0	0	0	111.1
741	N	39.9	Very low	35	Very low	115 Å²	115	132.5 Å²	132.5	62%	0.615	75%	0.75	S	S	*	*			cis	-151.8	-177.4	-4.5	-157.5	8.7	0	0	0	111
742	E	36.5	Very low	34.4	Very low	161 Å²	161	131.6 Å²	131.6	75%	0.752	75%	0.753	S	S	*	*			trans	19.2	133.7	143.3	-79.3	162.7	-146.3	0	0	120.8
743	C	34.8	Very low	34.4	Very low	111 Å²	111	131.8 Å²	131.8	75%	0.75	76%	0.758	S	S	*	*			cis	-157.4	140.7	6	-168.4	0	0	0	0	112.9
744	I	35.6	Very low	34.6	Very low	162 Å²	162	128.4 Å²	128.4	83%	0.831	76%	0.756	S	S	*	*			trans	-103.8	123.7	160	-64.7	169.9	0	0	0	104.7
745	P	36.6	Very low	34.3	Very low	106 Å²	106	130.5 Å²	130.5	69%	0.688	75%	0.754	S	S	*	*				-158.9	138.3	81.3	38.3	-16.4	0	0	0	119.5
746	G	30.1	Very low	34.3	Very low	71 Å²	71	129.2 Å²	129.2	73%	0.732	75%	0.748	S	S	*	*			trans	71	-173.3	137.1	0	0	0	0	0	118.9
747	I	32.1	Very low	34.2	Very low	161 Å²	161	127.3 Å²	127.3	83%	0.826	74%	0.739	S	S	*	*			trans	48.1	110	179.5	63.3	171.2	0	0	0	116
748	S	29.1	Very low	34.1	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	74%	0.743	S	S	*	*				68.2	149	85	-165.2	0	0	0	0	114.2
749	T	31.3	Very low	33.9	Very low	119 Å²	119	129.2 Å²	129.2	73%	0.73	75%	0.748	S	S	*	*			trans	86.2	113.2	-178.9	-33.6	0	0	0	0	111.9
750	V	37.4	Very low	34.2	Very low	125 Å²	125	130.9 Å²	130.9	76%	0.758	75%	0.751	S	S	*	*				73	142.1	57.4	171.2	0	0	0	0	109.7
751	P	35.1	Very low	34.3	Very low	119 Å²	119	129.6 Å²	129.6	77%	0.773	75%	0.745	S	S	*	*			cis	-128.1	160	29.3	13.9	12.6	0	0	0	119.6
752	S	29	Very low	34.1	Very low	101 Å²	101	131 Å²	131	71%	0.706	75%	0.753	S	S	*	*			trans	-92.6	175.3	151.8	51.6	0	0	0	0	111
753	L	33.9	Very low	34.2	Very low	143 Å²	143	132.6 Å²	132.6	75%	0.749	76%	0.757	S	S	*	*			trans	69.8	158.1	177.2	-106.8	36.8	0	0	0	114.2
754	P	38.5	Very low	34.7	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	76%	0.764	S	S	*	*			cis	-114.1	144.6	16.2	38.8	-27.9	0	0	0	117.3
755	D	29.8	Very low	35	Very low	130 Å²	130	137.2 Å²	137.2	70%	0.695	77%	0.766	S	S	*	*			trans	-58.9	134.1	147.5	-74.3	-70.2	0	0	0	110
756	N	34.2	Very low	35.4	Very low	128 Å²	128	143.1 Å²	143.1	68%	0.684	77%	0.774	S	S	*	*				-174.5	140.3	119.5	-101.1	-61.4	0	0	0	113.9
757	Q	31.2	Very low	35.8	Very low	153 Å²	153	148.1 Å²	148.1	72%	0.715	78%	0.78	S	S	*	*			trans	35.5	107.8	140.4	-61.5	170.1	57.1	0	0	119.3
758	F	33.5	Very low	36	Very low	211 Å²	211	145.7 Å²	145.7	93%	0.925	78%	0.778	S	S	*	*			trans	-141.3	97.1	136.4	-100.5	-71.3	0	0	0	111.1
759	S	35.8	Very low	36.7	Very low	100 Å²	100	150.5 Å²	150.5	70%	0.699	79%	0.785	S	S	*	*			trans	-90.3	105.5	176.7	37.6	0	0	0	0	111.3
760	H	37.5	Very low	37.1	Very low	173 Å²	173	150.5 Å²	150.5	80%	0.801	79%	0.79	S	S	*	*			trans	65.2	163.6	173.7	-69.4	-80.7	0	0	0	114.2
761	P	39.3	Very low	37	Very low	106 Å²	106	150.7 Å²	150.7	69%	0.688	79%	0.791	S	S	*	*			cis	-140.8	-168.2	23.4	45.2	-26.2	0	0	0	116.5	K763	P761-K763 PolarHBondContact O-N 2.77Å
762	D	35.2	Very low	37.2	Very low	145 Å²	145	151 Å²	151	78%	0.775	79%	0.793	S	S	*	*			trans	-51.4	125.1	166.3	-57.7	-98.9	0	0	0	113.8
763	K	37.5	Very low	37.5	Very low	193 Å²	193	149.9 Å²	149.9	84%	0.839	79%	0.79	S	S	*	*			trans	-174.7	96.1	150.9	-103.1	150.3	-174	174.6	0	111.2	P761	P761-K763 PolarHBondContact O-N 2.77Å
764	L	45.5	Very low	37.5	Very low	171 Å²	171	152.6 Å²	152.6	90%	0.895	80%	0.796	S	S	*	*			trans	-169.6	59.8	144.8	-106.2	161.3	0	0	0	113.7	R766	L764-R766 PolarHBondContact O-N 3.32Å
765	K	42.1	Very low	37.9	Very low	200 Å²	200	153.9 Å²	153.9	87%	0.87	80%	0.796	S	S	*	*			trans	-67.9	117	158.5	-85.5	-179.2	174.1	174.3	0	110.1
766	R	46.1	Very low	38.3	Very low	229 Å²	229	155.7 Å²	155.7	86%	0.864	80%	0.8	S	S	*	*			trans	-179.3	167.7	142.4	-106.3	166.9	-75.8	-177.5	-2.5	112.5	L764	L764-R766 PolarHBondContact O-N 3.32Å
767	M	37.3	Very low	38.7	Very low	176 Å²	176	154 Å²	154	87%	0.867	79%	0.791	S	S	*	*			trans	71.4	78.7	176.9	-51.3	-178.5	77.9	0	0	113.7
768	S	37.8	Very low	39	Very low	110 Å²	110	154.3 Å²	154.3	77%	0.769	79%	0.792	S	S	*	*				75.3	106.5	70.9	-59.5	0	0	0	0	112.6
769	K	42.2	Very low	39.4	Very low	209 Å²	209	147.8 Å²	147.8	91%	0.909	77%	0.773	S	S	*	*				86.7	107.9	67.1	-86.8	-165	172.8	-169.9	0	114.1
770	S	40.5	Very low	39.9	Very low	119 Å²	119	150.6 Å²	150.6	83%	0.832	78%	0.78	S	S	*	*			trans	-164.5	128.8	153.3	58	0	0	0	0	109.7
771	V	35	Very low	40.4	Very low	128 Å²	128	149 Å²	149	78%	0.776	78%	0.777	S	S	*	*			trans	-140.3	138.9	-174.7	177.2	0	0	0	0	109.8	A773	V771-A773 HydrophobicContact CG1-CB 4.16Å
772	P	38.4	Very low	40.7	Very low	126 Å²	126	153.2 Å²	153.2	82%	0.818	78%	0.78	S	S	*	*			trans	-124.2	136.6	132.1	7.8	13	0	0	0	110.1
773	A	35.7	Very low	41.1	Very low	77 Å²	77	153.1 Å²	153.1	64%	0.636	77%	0.774	S	S	*	*			cis	80.6	72.9	20.9	0	0	0	0	0	116.3	V771	V771-A773 HydrophobicContact CG1-CB 4.16Å
774	F	34.9	Very low	41.4	Very low	200 Å²	200	149.8 Å²	149.8	88%	0.877	77%	0.77	S	S	*	*			trans	-163.8	126.5	147.4	-101.5	-76.6	0	0	0	103.6
775	L	47.5	Very low	41	Very low	147 Å²	147	147.3 Å²	147.3	77%	0.77	76%	0.758	S	S	*	*			cis	57.6	128.7	41.8	-61.5	-179.9	0	0	0	111.2
776	Q	37.6	Very low	40.8	Very low	169 Å²	169	143.2 Å²	143.2	79%	0.79	75%	0.75	S	S	*	*			cis	-165.4	131.5	1.2	170.4	176.2	9.4	0	0	107.5
777	D	41.6	Very low	40.4	Very low	91 Å²	91	135.8 Å²	135.8	49%	0.487	74%	0.738	S	S	.	*			trans	-169.1	153	148.5	-127.7	-39.6	0	0	0	114.1	T23 L24	T23-D777 WeakPolarHBondContact CB-OD2 3.38Å; T23-D777 WeakPolarHBondContact CG2-OD2 3.38Å; T23-D777 PolarHBondContact OG1-OD2 3.31Å; L24-D777 WeakPolarHBondContact CD1-OD1 3.31Å
778	E	38.2	Very low	40.4	Very low	161 Å²	161	132.2 Å²	132.2	75%	0.752	73%	0.73	S	S	*	*			trans	-130	-175.2	-163.3	-151.9	166.1	102.1	0	0	112.6	L24	L24-E778 WeakPolarHBondContact CD1-O 3.1Å
779	S	42.1	Very low	40.4	Very low	73 Å²	73	135.1 Å²	135.1	51%	0.51	73%	0.731	S	S	.	*			trans	60	149.4	-178.2	72	0	0	0	0	116	L24	L24-S779 WeakPolarHBondContact CD1-OG 3.2Å
780	D	46.9	Very low	40	Very low	160 Å²	160	130.4 Å²	130.4	86%	0.856	72%	0.724	S	S	*	*			cis	-131.4	171.3	19.7	-169	17.1	0	0	0	112.2
781	D	47.7	Very low	39.7	Very low	138 Å²	138	129.1 Å²	129.1	74%	0.738	72%	0.715	S	S	*	*			trans	-92.2	165.1	-160.4	-130.2	-39.9	0	0	0	116.1
782	R	45.2	Very low	39.9	Very low	196 Å²	196	134.4 Å²	134.4	74%	0.74	72%	0.723	S	S	*	*			trans	143.2	86.1	151.9	-77.3	-71	175.1	-178.1	-6.3	114.6
783	E	43.9	Very low	39.6	Very low	142 Å²	142	137.6 Å²	137.6	66%	0.664	73%	0.727	S	S	*	*			trans	40.6	132.3	130.3	-54.1	160.8	145.4	0	0	119.9
784	T	43.3	Very low	39.7	Very low	123 Å²	123	141.4 Å²	141.4	76%	0.755	74%	0.736	S	S	*	*			cis	-173.3	143.2	-9.7	-76.3	0	0	0	0	104.4
785	D	37.6	Very low	39.9	Very low	120 Å²	120	141.7 Å²	141.7	64%	0.642	73%	0.731	S	S	*	*			cis	-131.6	179.6	14.5	-150.1	44.4	0	0	0	108	A787	D785-A787 PolarHBondContact OD2-N 2.83Å
786	T	38.4	Very low	39.4	Very low	113 Å²	113	145.6 Å²	145.6	69%	0.693	74%	0.736	S	S	*	*			cis	60.1	163.7	34.5	10	0	0	0	0	114
787	A	37.3	Very low	39.4	Very low	74 Å²	74	148.2 Å²	148.2	61%	0.612	74%	0.74	S	S	*	*			cis	-137.9	128.4	-9.7	0	0	0	0	0	108.5	D785	D785-A787 PolarHBondContact OD2-N 2.83Å
788	S	36.7	Very low	39.2	Very low	100 Å²	100	153 Å²	153	70%	0.699	76%	0.756	S	S	*	*				84.9	142.2	76.8	-67.7	0	0	0	0	113.7
789	E	37.2	Very low	39.3	Very low	171 Å²	171	155 Å²	155	80%	0.799	76%	0.763	S	S	*	*			cis	-167.9	-173.3	-16.7	-144.7	-164.3	111.6	0	0	110.7
790	S	35.4	Very low	39.2	Very low	110 Å²	110	156.7 Å²	156.7	77%	0.769	78%	0.775	S	S	*	*			trans	80.1	159.4	157.6	84	0	0	0	0	119.9
791	S	34.1	Very low	38.5	Very low	92 Å²	92	155.5 Å²	155.5	64%	0.643	78%	0.776	S	S	*	*			cis	-171.3	111.6	-42.4	-179.9	0	0	0	0	109.9
792	Y	38.2	Very low	38	Very low	239 Å²	239	153.8 Å²	153.8	94%	0.937	78%	0.775	S	S	*	*			trans	-149.7	116.7	160.5	-75.4	-70	0	0	0	111.4
793	Q	33.3	Very low	37.5	Very low	193 Å²	193	150 Å²	150	90%	0.902	78%	0.778	S	S	*	*			trans	-123	141.2	163.6	-70.7	-170.4	13.2	0	0	109.6
794	L	37.3	Very low	37.2	Very low	157 Å²	157	150.8 Å²	150.8	82%	0.822	79%	0.786	S	S	*	*			trans	-149.9	141.5	162.8	-146.6	75.6	0	0	0	113.2
795	R	38	Very low	37	Very low	206 Å²	206	149.9 Å²	149.9	78%	0.777	78%	0.78	S	S	*	*			trans	67.5	99.1	169.1	-55.2	-159.7	172.2	-167.9	-3.5	117.9
796	R	37.9	Very low	36.9	Very low	230 Å²	230	152.5 Å²	152.5	87%	0.868	80%	0.795	S	S	*	*			trans	-73.9	150.9	152.1	-51.5	175	-151.9	131.9	2.4	110.1
797	Y	37.4	Very low	36.5	Very low	223 Å²	223	154.5 Å²	154.5	88%	0.875	80%	0.8	S	S	*	*			trans	-118.4	146.8	139.7	-80.4	-76.9	0	0	0	108.5
798	K	37.9	Very low	36.1	Very low	191 Å²	191	156.3 Å²	156.3	83%	0.83	81%	0.808	S	S	*	*			trans	-113.3	129.7	-175.5	-120.2	-165.8	179.7	-169.5	0	109.7
799	K	40.4	Very low	35.8	Very low	203 Å²	203	157.6 Å²	157.6	88%	0.883	82%	0.817	S	S	*	*			trans	-172.6	144.7	146.1	-105.7	160.7	-177.5	-176.6	0	110.5
800	S	38.4	Very low	35.7	Very low	109 Å²	109	155 Å²	155	76%	0.762	82%	0.818	S	S	*	*			trans	59.5	122.2	170.3	-53.7	0	0	0	0	118.6
801	P	32.5	Very low	35.6	Very low	136 Å²	136	155.9 Å²	155.9	88%	0.883	82%	0.824	S	S	*	*			trans	-93.2	122.8	171.7	34.3	-28.8	0	0	0	111.9
802	S	38.5	Very low	35.6	Very low	102 Å²	102	154.3 Å²	154.3	71%	0.713	82%	0.822	S	S	*	*			trans	-150.1	109.4	171.3	57.6	0	0	0	0	111.8
803	S	34.2	Very low	36.1	Very low	117 Å²	117	148.1 Å²	148.1	82%	0.818	80%	0.803	S	S	*	*			trans	20.6	99.4	151.7	57.5	0	0	0	0	118.8
804	L	37.6	Very low	36.2	Very low	157 Å²	157	145.7 Å²	145.7	82%	0.822	80%	0.802	S	S	*	*			trans	-160.6	124.8	147.5	-109.6	175.4	0	0	0	112.6
805	T	37.7	Very low	36	Very low	104 Å²	104	142.1 Å²	142.1	64%	0.638	79%	0.79	S	S	*	*			trans	26.6	117.4	156.4	53.8	0	0	0	0	120.7	L807	T805-L807 PolarHBondContact O-N 2.83Å; T805-L807 VanDerWaalsContact O-N 3.12Å
806	N	36	Very low	36	Very low	176 Å²	176	138 Å²	138	94%	0.941	78%	0.783	S	S	*	*			trans	-58.5	111.2	158.5	-72.9	-32.4	0	0	0	111.3
807	L	29.7	Very low	36.2	Very low	155 Å²	155	131.8 Å²	131.8	81%	0.812	78%	0.775	S	S	*	*			trans	-99	107.7	169.2	-70.3	176.9	0	0	0	109.8	T805	T805-L807 PolarHBondContact O-N 2.83Å; T805-L807 VanDerWaalsContact O-N 3.12Å
808	S	30.7	Very low	36.1	Very low	112 Å²	112	126.7 Å²	126.7	78%	0.783	77%	0.772	S	S	*	*			trans	-153.8	127.4	166	-77.1	0	0	0	0	112.2
809	S	29.8	Very low	36.1	Very low	126 Å²	126	121.5 Å²	121.5	88%	0.881	76%	0.764	S	S	*	*	S	Bend	trans	61.5	65.2	143.7	-49.6	0	0	0	0	120.6
810	S	34.7	Very low	36	Very low	116 Å²	116	114.6 Å²	114.6	81%	0.811	74%	0.742	S	S	*	*			trans	-162.5	103.3	139.1	-162.4	0	0	0	0	112.8	G812	S810-G812 PolarHBondContact O-N 3.39Å
811	S	33	Very low	36.1	Very low	129 Å²	129	111.6 Å²	111.6	90%	0.902	73%	0.728	S	S	*	*			trans	-102.3	59.3	-168.7	53.3	0	0	0	0	113.9
812	G	35.4	Very low	36.8	Very low	59 Å²	59	106 Å²	106	61%	0.608	69%	0.692	S	S	*	*			trans	-111.9	-0.9	-161.6	0	0	0	0	0	120.8	S810	S810-G812 PolarHBondContact O-N 3.39Å
813	M	47.8	Very low	37.4	Very low	109 Å²	109	102.6 Å²	102.6	54%	0.537	67%	0.667	S	S	.	*	S	Bend	trans	-143	13.2	-164.3	-66.4	-158.3	78.4	0	0	118.9	L816	M813-L816 HydrophobicContact CE-CD1 4.09Å
814	T	35.9	Very low	38.1	Very low	143 Å²	143	99.7 Å²	99.7	88%	0.877	64%	0.641	S	S	*	*	S	Bend	trans	-95	9.3	-169.5	44.4	0	0	0	0	116.9
815	S	32.4	Very low	38.7	Very low	81 Å²	81	94 Å²	94	57%	0.566	61%	0.614	S	S	*	*			trans	-131.8	8.7	-167.7	-52.1	0	0	0	0	116.4	S817	S815-S817 PolarHBondContact O-N 3.19Å
816	L	38.9	Very low	39.2	Very low	119 Å²	119	89.4 Å²	89.4	62%	0.623	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	2.1	-164.6	-62.3	178.3	0	0	0	116.7	M813	M813-L816 HydrophobicContact CE-CD1 4.09Å
817	S	41.6	Very low	40	Very low	100 Å²	100	84.8 Å²	84.8	70%	0.699	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	-18.1	-177.6	-178.1	0	0	0	0	114.8	S815	S815-S817 PolarHBondContact O-N 3.19Å
818	S	35.9	Very low	41	Very low	117 Å²	117	79.4 Å²	79.4	82%	0.818	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	-13.5	-165	-46.8	0	0	0	0	116.6
819	A	38.1	Very low	41.8	Very low	81 Å²	81	75.8 Å²	75.8	67%	0.669	51%	0.512	S	S	*	.	S	Bend	trans	-104.3	-20.7	-174.8	0	0	0	0	0	114.9
820	S	36.9	Very low	42.8	Very low	59 Å²	59	74 Å²	74	41%	0.413	49%	0.492	S	S	.	.			trans	-86.1	121.8	-177.8	-165.5	0	0	0	0	111.5	S822	S820-S822 PolarHBondContact O-N 3.34Å; S820-S822 WeakPolarHBondContact OG-CB 3.46Å
821	G	41.5	Very low	43.7	Very low	45 Å²	45	70.6 Å²	70.6	46%	0.464	46%	0.463	S	S	.	.			trans	-70.6	77.5	161.1	0	0	0	0	0	109.2	R1016	G821-R1016 PolarHBondContact O-NH2 3.14Å
822	S	47.2	Very low	44.6	Very low	18 Å²	18	66.7 Å²	66.7	13%	0.126	44%	0.443	C	S	.	.	S	Bend	trans	-131	145.6	-177.3	177.8	0	0	0	0	110.3	S820 M824 S825	S820-S822 PolarHBondContact O-N 3.34Å; S820-S822 WeakPolarHBondContact OG-CB 3.46Å; S822-M824 PolarHBondContact O-N 3.12Å; S822-M824 PolarHBondContact OG-N 3Å; S822-S825 PolarHBondContact O-N 2.82Å
823	V	51.1	Low	45.6	Very low	31 Å²	31	72 Å²	72	19%	0.188	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-13.1	172.2	-61.7	0	0	0	0	113.1	S825 V826 Y827 L882 D884	V823-S825 PolarHBondContact O-N 3.17Å; V823-V826 WeakPolarHBondContact O-CA 3.44Å; V823-V826 WeakPolarHBondContact O-CB 3.44Å; V823-V826 WeakPolarHBondContact O-CG2 3.49Å; V823-V826 PolarHBondContact O-N 3.22Å; V823-Y827 HydrophobicContact CB-CD2 4.37Å; V823-Y827 HydrophobicContact CB-CE2 3.87Å; V823-Y827 HydrophobicContact CG2-CD2 4.33Å; V823-Y827 HydrophobicContact CG2-CE2 3.82Å; V823-Y827 WeakPolarHBondContact O-CD2 3.48Å; V823-Y827 PolarHBondContact O-N 2.81Å; V823-L882 HydrophobicContact CG1-CD2 3.88Å; V823-D884 HydrophobicContact CG1-CB 4.49Å
824	M	49.4	Very low	46.7	Very low	57 Å²	57	68.9 Å²	68.9	28%	0.281	44%	0.443	S	S	.	.	H	α-helix	trans	-49.6	-33.6	173.1	-140.1	65	64.5	0	0	113.5	S822 V826 Y827 S828 F1084 M1134	S822-M824 PolarHBondContact O-N 3.12Å; S822-M824 PolarHBondContact OG-N 3Å; M824-V826 PolarHBondContact O-N 2.82Å; M824-Y827 CarbonylContact O-C 3.51Å; M824-Y827 PolarHBondContact O-N 3.45Å; M824-S828 PolarHBondContact O-N 2.88Å; M824-S828 PolarHBondContact O-OG 2.79Å; M824-F1084 HydrophobicContact CE-CB 4.03Å; M824-F1084 HydrophobicContact CE-CD1 4.14Å; M824-M1134 HydrophobicContact SD-CE 4.35Å; M824-M1134 HydrophobicContact SD-SD 3.91Å
825	S	49.7	Very low	48.8	Very low	38 Å²	38	66.9 Å²	66.9	27%	0.266	42%	0.423	S	S	.	.	H	α-helix	trans	-79.3	8.7	175	77.2	0	0	0	0	115.3	S822 V823 K878 Y880	S822-S825 PolarHBondContact O-N 2.82Å; V823-S825 PolarHBondContact O-N 3.17Å; S825-K878 PolarHBondContact OG-NZ 3.43Å; S825-Y880 PolarHBondContact O-OH 2.74Å; S825-Y880 VanDerWaalsContact O-OH 3.08Å; S825-Y880 PolarHBondContact OG-OH 3.34Å; S825-Y880 VanDerWaalsContact OG-OH 3.11Å
826	V	46.9	Very low	51.3	Low	7 Å²	7	63.8 Å²	63.8	4%	0.042	40%	0.401	C	S	.	.	H	α-helix	trans	-97.8	-38.1	163.6	-174.5	0	0	0	0	109.8	V823 M824 F831 Y880 K966	V823-V826 WeakPolarHBondContact O-CA 3.44Å; V823-V826 WeakPolarHBondContact O-CB 3.44Å; V823-V826 WeakPolarHBondContact O-CG2 3.49Å; V823-V826 PolarHBondContact O-N 3.22Å; M824-V826 PolarHBondContact O-N 2.82Å; V826-F831 WeakPolarHBondContact O-CZ 3.15Å; V826-Y880 HydrophobicContact CG2-CD1 4.28Å; V826-Y880 HydrophobicContact CG2-CD2 4.04Å; V826-Y880 HydrophobicContact CG2-CE1 3.86Å; V826-Y880 HydrophobicContact CG2-CE2 3.58Å; V826-Y880 HydrophobicContact CG2-CG 4.31Å; V826-Y880 VanDerWaalsContact CG2-CZ 3.4Å; V826-Y880 WeakPolarHBondContact CG2-OH 3.22Å; V826-K966 VanDerWaalsContact CG1-NZ 3.28Å; V826-K966 WeakPolarHBondContact O-CE 3.17Å; V826-K966 PolarHBondContact O-NZ 3.37Å
827	Y	53	Low	53.6	Low	78 Å²	78	63.7 Å²	63.7	31%	0.306	40%	0.396	S	S	.	.	H	α-helix	trans	-97.5	4.2	-176.8	-52.4	-88.7	0	0	0	114.8	V823 M824 G829 E975	V823-Y827 HydrophobicContact CB-CD2 4.37Å; V823-Y827 HydrophobicContact CB-CE2 3.87Å; V823-Y827 HydrophobicContact CG2-CD2 4.33Å; V823-Y827 HydrophobicContact CG2-CE2 3.82Å; V823-Y827 WeakPolarHBondContact O-CD2 3.48Å; V823-Y827 PolarHBondContact O-N 2.81Å; M824-Y827 CarbonylContact O-C 3.51Å; M824-Y827 PolarHBondContact O-N 3.45Å; Y827-G829 PolarHBondContact O-N 3.07Å; Y827-E975 PolarHBondContact OH-OE1 2.83Å
828	S	51.7	Low	56.1	Low	42 Å²	42	59.9 Å²	59.9	29%	0.294	37%	0.372	S	S	.	.			trans	-71.9	91.9	-179.4	-63.1	0	0	0	0	111.1	M824 D830 F831	M824-S828 PolarHBondContact O-N 2.88Å; M824-S828 PolarHBondContact O-OG 2.79Å; S828-D830 PolarHBondContact O-N 3.42Å; S828-F831 VanDerWaalsContact O-CE1 3.3Å; S828-F831 WeakPolarHBondContact O-CE1 3.39Å; S828-F831 WeakPolarHBondContact O-CE2 3.43Å; S828-F831 WeakPolarHBondContact O-CZ 3.44Å
829	G	47.4	Very low	59	Low	36 Å²	36	56 Å²	56	37%	0.371	35%	0.345	S	S	.	.			trans	-60.8	2.1	-172.1	0	0	0	0	0	117.7	Y827 F831	Y827-G829 PolarHBondContact O-N 3.07Å; G829-F831 PolarHBondContact O-N 3.2Å; G829-F831 VanDerWaalsContact O-N 3.08Å
830	D	51.3	Low	61.8	Low	88 Å²	88	52.2 Å²	52.2	47%	0.471	31%	0.314	S	S	.	.			trans	-81.5	34	176.5	72.9	-53.8	0	0	0	113.5	S828 G832 R934	S828-D830 PolarHBondContact O-N 3.42Å; D830-G832 PolarHBondContact O-N 2.94Å; D830-R934 WeakPolarHBondContact OD2-CD 3.01Å; D830-R934 IonicContact OD2-CZ 2.64Å; D830-R934 IonicContact OD2-NE 2.71Å; D830-R934 IonicContact OD2-NH1 2.59Å; D830-R934 PolarHBondContact OD2-NH1 2.75Å
831	F	53.8	Low	64.6	Low	45 Å²	45	50.5 Å²	50.5	20%	0.197	30%	0.299	C	S	.	.			trans	-63.5	96.3	169.4	-48.7	-65.1	0	0	0	108.7	V826 S828 G829 W927 F937 K966	V826-F831 WeakPolarHBondContact O-CZ 3.15Å; S828-F831 VanDerWaalsContact O-CE1 3.3Å; S828-F831 WeakPolarHBondContact O-CE1 3.39Å; S828-F831 WeakPolarHBondContact O-CE2 3.43Å; S828-F831 WeakPolarHBondContact O-CZ 3.44Å; G829-F831 PolarHBondContact O-N 3.2Å; G829-F831 VanDerWaalsContact O-N 3.08Å; F831-W927 HydrophobicContact CE1-CH2 4.06Å; F831-F937 HydrophobicContact CB-CB 4.25Å; F831-F937 HydrophobicContact CB-CD1 4.47Å; F831-F937 HydrophobicContact CD1-CB 3.66Å; F831-F937 HydrophobicContact CD1-CD1 4.38Å; F831-F937 HydrophobicContact CD1-CD2 4.16Å; F831-F937 AromaticContact CD1-CG 3.85Å; F831-F937 HydrophobicContact CD1-CG 3.85Å; F831-F937 HydrophobicContact CE1-CD2 4.35Å; F831-F937 HydrophobicContact CE1-CG 4.48Å; F831-F937 HydrophobicContact CG-CB 4.34Å; F831-F937 HydrophobicContact CG-CG 4.42Å; F831-K966 HydrophobicContact CD2-CB 3.81Å; F831-K966 HydrophobicContact CD2-CD 4.32Å; F831-K966 HydrophobicContact CD2-CG 3.84Å; F831-K966 HydrophobicContact CE1-CD 4.22Å; F831-K966 HydrophobicContact CE2-CB 3.93Å; F831-K966 HydrophobicContact CE2-CD 3.59Å; F831-K966 HydrophobicContact CE2-CG 3.43Å; F831-K966 VanDerWaalsContact CE2-CG 3.43Å; F831-K966 HydrophobicContact CG-CB 4.3Å; F831-K966 HydrophobicContact CZ-CB 4.5Å; F831-K966 HydrophobicContact CZ-CD 3.53Å; F831-K966 HydrophobicContact CZ-CG 3.95Å
832	G	51.9	Low	67.2	Low	47 Å²	47	48.5 Å²	48.5	49%	0.485	28%	0.278	S	S	.	.			trans	-52.1	149.2	-174	0	0	0	0	0	112.9	D830 L834	D830-G832 PolarHBondContact O-N 2.94Å; G832-L834 PolarHBondContact O-N 3.28Å
833	N	56.5	Low	69.4	Low	171 Å²	171	48 Å²	48	91%	0.914	28%	0.275	S	S	*	.	S	Bend	trans	-65.9	63.3	-166.5	-166.9	27.2	0	0	0	114.7
834	L	70.8	Confident	71.4	Confident	43 Å²	43	46.7 Å²	46.7	23%	0.225	27%	0.267	C	S	.	.			trans	-106.4	129.8	175.7	-86.9	158.4	0	0	0	108.6	G832 V836 A866	G832-L834 PolarHBondContact O-N 3.28Å; L834-V836 PolarHBondContact O-N 2.84Å; L834-A866 HydrophobicContact CD1-CB 4.14Å
835	E	78.5	Confident	73.4	Confident	101 Å²	101	46.2 Å²	46.2	47%	0.472	27%	0.265	S	S	.	.			trans	-68.7	99.1	172.5	167	149.3	-87.9	0	0	110	K837 A864 R965	E835-K837 HydrophobicContact CG-CD 4.03Å; E835-K837 HydrophobicContact CG-CG 4.05Å; E835-K837 PolarHBondContact O-N 2.88Å; E835-K837 WeakPolarHBondContact OE2-CE 3.32Å; E835-K837 IonicContact OE2-NZ 2.71Å; E835-K837 PolarHBondContact OE2-NZ 2.88Å; E835-A864 VanDerWaalsContact O-CB 3.26Å; E835-A864 WeakPolarHBondContact O-CB 3.31Å; E835-R965 VanDerWaalsContact CG-NH2 3.28Å; E835-R965 IonicContact OE1-CZ 2.72Å; E835-R965 IonicContact OE1-NH2 2.64Å; E835-R965 PolarHBondContact OE1-NH2 2.9Å
836	V	84.8	Confident	75.4	Confident	17 Å²	17	45 Å²	45	10%	0.103	26%	0.255	C	S	.	.			trans	-53.1	127.2	169.8	168.1	0	0	0	0	109.9	L834 F937 L938 L963 R965	L834-V836 PolarHBondContact O-N 2.84Å; V836-F937 HydrophobicContact CG2-CD1 4.15Å; V836-F937 HydrophobicContact CG2-CE1 4.04Å; V836-L938 WeakPolarHBondContact CG1-O 3.49Å; V836-L963 HydrophobicContact CG1-CB 3.95Å; V836-R965 HydrophobicContact CB-CG 3.68Å; V836-R965 HydrophobicContact CG1-CG 4.5Å; V836-R965 HydrophobicContact CG2-CG 3.93Å
837	K	87.9	Confident	77.5	Confident	117 Å²	117	45.9 Å²	45.9	51%	0.509	26%	0.26	S	S	.	.			trans	-146.3	157.1	179.6	-84.8	174.3	173.9	161.9	0	109	E835 D862 A864	E835-K837 HydrophobicContact CG-CD 4.03Å; E835-K837 HydrophobicContact CG-CG 4.05Å; E835-K837 PolarHBondContact O-N 2.88Å; E835-K837 WeakPolarHBondContact OE2-CE 3.32Å; E835-K837 IonicContact OE2-NZ 2.71Å; E835-K837 PolarHBondContact OE2-NZ 2.88Å; K837-D862 CarbonylContact C-O 3.51Å; K837-A864 PolarHBondContact O-N 3Å
838	G	93.5	Very high	79.3	Confident	20 Å²	20	46.6 Å²	46.6	21%	0.206	27%	0.267	C	S	.	.			trans	99.6	-178.9	175.3	0	0	0	0	0	114.9	K861 D862 L963	G838-K861 CarbonylContact C-O 3.43Å; G838-K861 WeakPolarHBondContact CA-O 3.28Å; G838-D862 WeakPolarHBondContact CA-O 3.27Å; G838-D862 PolarHBondContact N-O 3.25Å; G838-L963 WeakPolarHBondContact O-CB 3.44Å; G838-L963 PolarHBondContact O-N 3.33Å
839	S	96.5	Very high	81.2	Confident	36 Å²	36	49.9 Å²	49.9	25%	0.252	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.8	-176.1	-63.4	0	0	0	0	110.7	C860 K861 Y961	S839-C860 CarbonylContact O-C 3.54Å; S839-C860 WeakPolarHBondContact O-CA 3.28Å; S839-C860 WeakPolarHBondContact O-CB 3.26Å; S839-K861 PolarHBondContact N-O 3.19Å; S839-K861 PolarHBondContact O-N 3.11Å; S839-Y961 CarbonylContact C-O 3.37Å; S839-Y961 VanDerWaalsContact CA-O 3.27Å; S839-Y961 WeakPolarHBondContact CA-O 3.41Å; S839-Y961 WeakPolarHBondContact CB-O 3.47Å
840	V	97	Very high	83.3	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.1	175.4	58.5	0	0	0	0	110.7	F842 L924 V941 Y961 L963	V840-F842 HydrophobicContact CG1-CD1 4.1Å; V840-F842 HydrophobicContact CG1-CE1 4.12Å; V840-F842 HydrophobicContact CG2-CD1 4.26Å; V840-L924 HydrophobicContact CG1-CD2 3.89Å; V840-L924 HydrophobicContact CG2-CD2 4.05Å; V840-V941 HydrophobicContact CG1-CG2 3.69Å; V840-Y961 PolarHBondContact N-O 2.9Å; V840-Y961 PolarHBondContact O-N 3.37Å; V840-L963 HydrophobicContact CB-CD2 4.14Å; V840-L963 HydrophobicContact CG1-CD2 3.65Å
841	Q	96.9	Very high	85.1	Confident	24 Å²	24	52.2 Å²	52.2	11%	0.112	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120	177.3	-158.3	-177.8	11.2	0	0	110	A858 Q859 L958 K959 W960	Q841-A858 HydrophobicContact CB-CB 4.47Å; Q841-A858 PolarHBondContact O-N 3.18Å; Q841-Q859 HydrophobicContact CB-CG 4Å; Q841-Q859 PolarHBondContact N-O 2.72Å; Q841-Q859 PolarHBondContact O-N 2.82Å; Q841-L958 HydrophobicContact CG-CB 4.07Å; Q841-L958 HydrophobicContact CG-CD2 4.43Å; Q841-K959 WeakPolarHBondContact CA-O 3.48Å; Q841-W960 HydrophobicContact CB-CD2 3.72Å; Q841-W960 HydrophobicContact CB-CE3 3.7Å; Q841-W960 HydrophobicContact CB-CG 4.4Å; Q841-W960 HydrophobicContact CB-CH2 3.92Å; Q841-W960 HydrophobicContact CB-CZ2 3.95Å; Q841-W960 HydrophobicContact CB-CZ3 3.8Å; Q841-W960 HydrophobicContact CG-CD2 3.88Å; Q841-W960 HydrophobicContact CG-CE3 4.37Å; Q841-W960 HydrophobicContact CG-CG 4.13Å; Q841-W960 HydrophobicContact CG-CZ2 4.24Å
842	F	95.9	Very high	87	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.3	176.5	68.4	-86.8	0	0	0	112.2	V840 L844 V855 F856 L922 L924 V941 L943 K959 Y961	V840-F842 HydrophobicContact CG1-CD1 4.1Å; V840-F842 HydrophobicContact CG1-CE1 4.12Å; V840-F842 HydrophobicContact CG2-CD1 4.26Å; F842-L844 HydrophobicContact CD2-CD2 4.04Å; F842-L844 HydrophobicContact CD2-CG 4.39Å; F842-L844 HydrophobicContact CE2-CD2 4.02Å; F842-L844 HydrophobicContact CE2-CG 4.21Å; F842-V855 HydrophobicContact CD2-CG1 4.37Å; F842-F856 CarbonylContact C-O 3.53Å; F842-F856 WeakPolarHBondContact CA-O 3.43Å; F842-F856 WeakPolarHBondContact CB-O 3.39Å; F842-L922 HydrophobicContact CE2-CD2 4.22Å; F842-L924 HydrophobicContact CB-CD1 4.46Å; F842-L924 HydrophobicContact CD1-CD1 3.75Å; F842-L924 HydrophobicContact CD2-CD1 4.11Å; F842-L924 HydrophobicContact CE1-CD1 3.85Å; F842-L924 HydrophobicContact CE2-CD1 4.21Å; F842-L924 HydrophobicContact CG-CD1 3.88Å; F842-L924 HydrophobicContact CZ-CD1 4.07Å; F842-V941 HydrophobicContact CE1-CB 4.49Å; F842-V941 HydrophobicContact CE1-CG1 4.33Å; F842-V941 HydrophobicContact CZ-CG1 4.29Å; F842-L943 HydrophobicContact CE2-CD1 3.62Å; F842-L943 HydrophobicContact CZ-CD1 3.54Å; F842-L943 HydrophobicContact CZ-CG 4.32Å; F842-K959 PolarHBondContact N-O 3.11Å; F842-K959 VanDerWaalsContact N-O 3.07Å; F842-K959 PolarHBondContact O-N 3.03Å; F842-Y961 AromaticContact CD1-CD2 3.6Å; F842-Y961 HydrophobicContact CD1-CD2 3.6Å; F842-Y961 HydrophobicContact CD1-CE2 4.05Å; F842-Y961 HydrophobicContact CD1-CG 4.48Å; F842-Y961 HydrophobicContact CD2-CE2 4.49Å; F842-Y961 AromaticContact CE1-CD2 3.19Å; F842-Y961 HydrophobicContact CE1-CD2 3.19Å; F842-Y961 AromaticContact CE1-CE2 3.7Å; F842-Y961 HydrophobicContact CE1-CE2 3.7Å; F842-Y961 AromaticContact CE1-CG 3.72Å; F842-Y961 HydrophobicContact CE1-CG 3.72Å; F842-Y961 HydrophobicContact CE2-CD2 4.47Å; F842-Y961 HydrophobicContact CE2-CE2 4.16Å; F842-Y961 HydrophobicContact CG-CD2 4.41Å; F842-Y961 HydrophobicContact CG-CE2 4.44Å; F842-Y961 AromaticContact CZ-CD2 3.7Å; F842-Y961 HydrophobicContact CZ-CD2 3.7Å; F842-Y961 AromaticContact CZ-CE2 3.77Å; F842-Y961 HydrophobicContact CZ-CE2 3.77Å; F842-Y961 HydrophobicContact CZ-CG 4.17Å
843	A	93.6	Very high	88.9	Confident	9 Å²	9	48.3 Å²	48.3	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.3	172.7	0	0	0	0	0	110.1	F856 L958	A843-F856 PolarHBondContact N-O 3.12Å; A843-F856 PolarHBondContact O-N 3.16Å; A843-L958 HydrophobicContact CB-CD2 4.06Å
844	L	93.5	Very high	90.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.4	173.1	-57.3	-176.2	0	0	0	109.2	F842 V855 L922 L943 L945 W948	F842-L844 HydrophobicContact CD2-CD2 4.04Å; F842-L844 HydrophobicContact CD2-CG 4.39Å; F842-L844 HydrophobicContact CE2-CD2 4.02Å; F842-L844 HydrophobicContact CE2-CG 4.21Å; L844-V855 HydrophobicContact CD2-CB 4.12Å; L844-V855 HydrophobicContact CD2-CG1 3.78Å; L844-V855 HydrophobicContact CD2-CG2 3.82Å; L844-L922 HydrophobicContact CD1-CD2 3.96Å; L844-L922 HydrophobicContact CD2-CD2 3.47Å; L844-L922 VanDerWaalsContact CD2-CD2 3.47Å; L844-L922 HydrophobicContact CG-CD2 4.35Å; L844-L943 HydrophobicContact CD1-CD1 3.99Å; L844-L945 HydrophobicContact CD1-CD2 4Å; L844-W948 HydrophobicContact CB-CZ2 3.84Å; L844-W948 HydrophobicContact CD1-CD2 4.11Å; L844-W948 HydrophobicContact CD1-CE3 4.37Å; L844-W948 HydrophobicContact CD1-CH2 4.08Å; L844-W948 HydrophobicContact CD1-CZ2 3.79Å; L844-W948 HydrophobicContact CD1-CZ3 4.37Å; L844-W948 HydrophobicContact CG-CH2 4.39Å; L844-W948 HydrophobicContact CG-CZ2 3.97Å
845	D	90.8	Very high	91.8	Very high	48 Å²	48	38.8 Å²	38.8	26%	0.257	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.2	167.5	-165.1	24.8	0	0	0	110.7	H854 K956	D845-H854 PolarHBondContact N-O 3.37Å; D845-H854 VanDerWaalsContact N-O 3.09Å; D845-H854 PolarHBondContact O-N 3.3Å; D845-K956 IonicContact OD1-NZ 2.86Å; D845-K956 PolarHBondContact OD1-NZ 2.79Å
846	Y	91.6	Very high	92.6	Very high	12 Å²	12	35.7 Å²	35.7	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.2	179.6	177.5	-98.7	0	0	0	110.2	E848 E852 L853 I912 R914 L917	Y846-E848 HydrophobicContact CE1-CB 4.33Å; Y846-E848 VanDerWaalsContact CE1-OE1 3.3Å; Y846-E848 WeakPolarHBondContact CE1-OE1 3.46Å; Y846-E848 WeakPolarHBondContact CE1-OE2 3.35Å; Y846-E848 PolarHBondContact O-N 3.21Å; Y846-E848 PolarHBondContact OH-OE1 3.37Å; Y846-E852 VanDerWaalsContact CD2-C 3.47Å; Y846-E852 VanDerWaalsContact CD2-O 3.28Å; Y846-E852 WeakPolarHBondContact CD2-O 3.5Å; Y846-L853 HydrophobicContact CD2-CB 4.32Å; Y846-I912 WeakPolarHBondContact CE2-O 3.12Å; Y846-R914 HydrophobicContact CD1-CB 4.29Å; Y846-R914 HydrophobicContact CD1-CG 4.17Å; Y846-R914 HydrophobicContact CE1-CB 3.61Å; Y846-R914 HydrophobicContact CE1-CG 3.99Å; Y846-R914 PolarHBondContact OH-N 3Å; Y846-L917 HydrophobicContact CD2-CD1 3.45Å; Y846-L917 VanDerWaalsContact CD2-CD1 3.45Å; Y846-L917 HydrophobicContact CE2-CD1 3.86Å; Y846-L917 HydrophobicContact CG-CD1 3.99Å
847	V	90.7	Very high	93.2	Very high	25 Å²	25	34.9 Å²	34.9	15%	0.152	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	92.5	-173.6	-173.3	0	0	0	0	108.6	S849 L850 K851 E852	V847-S849 VanDerWaalsContact C-N 3.29Å; V847-S849 PolarHBondContact O-N 3.27Å; V847-L850 HydrophobicContact CB-CB 4.39Å; V847-L850 HydrophobicContact CB-CD1 4.47Å; V847-L850 HydrophobicContact CG1-CB 4.07Å; V847-L850 HydrophobicContact CG1-CD1 3.85Å; V847-L850 HydrophobicContact CG1-CG 3.79Å; V847-L850 PolarHBondContact O-N 3.41Å; V847-K851 PolarHBondContact O-N 2.97Å; V847-K851 VanDerWaalsContact O-N 3.12Å; V847-E852 PolarHBondContact N-O 3.02Å; V847-E852 PolarHBondContact O-N 2.66Å
848	E	89.7	Confident	93.6	Very high	94 Å²	94	29.4 Å²	29.4	44%	0.439	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-53.9	-43.3	-175.7	-162.3	71.4	-106	0	0	112.6	Y846 L850 K851 R914	Y846-E848 HydrophobicContact CE1-CB 4.33Å; Y846-E848 VanDerWaalsContact CE1-OE1 3.3Å; Y846-E848 WeakPolarHBondContact CE1-OE1 3.46Å; Y846-E848 WeakPolarHBondContact CE1-OE2 3.35Å; Y846-E848 PolarHBondContact O-N 3.21Å; Y846-E848 PolarHBondContact OH-OE1 3.37Å; E848-L850 PolarHBondContact O-N 3.19Å; E848-L850 VanDerWaalsContact O-N 3.13Å; E848-K851 PolarHBondContact O-N 3.37Å; E848-K851 VanDerWaalsContact O-N 3.1Å; E848-R914 IonicContact OE2-CZ 3.88Å; E848-R914 IonicContact OE2-NE 3.24Å; E848-R914 PolarHBondContact OE2-NE 3.43Å; E848-R914 IonicContact OE2-NH2 2.66Å; E848-R914 PolarHBondContact OE2-NH2 3.03Å
849	S	91.9	Very high	93.8	Very high	110 Å²	110	31.4 Å²	31.4	77%	0.769	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-64.4	-15.3	179.9	53.5	0	0	0	0	114.6	V847	V847-S849 VanDerWaalsContact C-N 3.29Å; V847-S849 PolarHBondContact O-N 3.27Å
850	L	91.5	Very high	93.8	Very high	61 Å²	61	29.8 Å²	29.8	32%	0.319	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-111.9	-4.9	176.3	-60.6	-179.7	0	0	0	113	V847 E848 E852	V847-L850 HydrophobicContact CB-CB 4.39Å; V847-L850 HydrophobicContact CB-CD1 4.47Å; V847-L850 HydrophobicContact CG1-CB 4.07Å; V847-L850 HydrophobicContact CG1-CD1 3.85Å; V847-L850 HydrophobicContact CG1-CG 3.79Å; V847-L850 PolarHBondContact O-N 3.41Å; E848-L850 PolarHBondContact O-N 3.19Å; E848-L850 VanDerWaalsContact O-N 3.13Å; L850-E852 VanDerWaalsContact C-N 3.28Å; L850-E852 HydrophobicContact CB-CB 4.14Å; L850-E852 HydrophobicContact CB-CG 4.19Å; L850-E852 PolarHBondContact O-N 2.64Å
851	K	90.6	Very high	93.8	Very high	112 Å²	112	34.4 Å²	34.4	49%	0.487	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	48.7	-167.2	-61.8	179	172.3	-167.6	0	112.1	V847 E848 I912 E913	V847-K851 PolarHBondContact O-N 2.97Å; V847-K851 VanDerWaalsContact O-N 3.12Å; E848-K851 PolarHBondContact O-N 3.37Å; E848-K851 VanDerWaalsContact O-N 3.1Å; K851-I912 CarbonylContact C-O 3.56Å; K851-I912 CarbonylContact O-C 3.55Å; K851-I912 PolarHBondContact O-N 3.05Å; K851-E913 HydrophobicContact CD-CG 4.2Å; K851-E913 WeakPolarHBondContact CD-OE1 3.28Å; K851-E913 WeakPolarHBondContact CE-OE1 3.42Å; K851-E913 IonicContact NZ-OE1 3.77Å; K851-E913 PolarHBondContact NZ-OE1 3.21Å
852	E	92.1	Very high	93.6	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133	-173.8	-80.3	178.9	179.5	0	0	114.5	Y846 V847 L850 H854 R909 Y910 K911	Y846-E852 VanDerWaalsContact CD2-C 3.47Å; Y846-E852 VanDerWaalsContact CD2-O 3.28Å; Y846-E852 WeakPolarHBondContact CD2-O 3.5Å; V847-E852 PolarHBondContact N-O 3.02Å; V847-E852 PolarHBondContact O-N 2.66Å; L850-E852 VanDerWaalsContact C-N 3.28Å; L850-E852 HydrophobicContact CB-CB 4.14Å; L850-E852 HydrophobicContact CB-CG 4.19Å; L850-E852 PolarHBondContact O-N 2.64Å; E852-H854 IonicContact OE2-CD2 3.22Å; E852-H854 IonicContact OE2-CE1 3.09Å; E852-H854 IonicContact OE2-NE2 2.69Å; E852-H854 PolarHBondContact OE2-NE2 3.29Å; E852-R909 VanDerWaalsContact CD-NH2 3.28Å; E852-R909 IonicContact OE1-CZ 3.94Å; E852-R909 IonicContact OE1-NE 2.82Å; E852-R909 IonicContact OE1-NH2 3.6Å; E852-R909 PolarHBondContact OE1-NH2 3.46Å; E852-R909 IonicContact OE2-CZ 2.66Å; E852-R909 IonicContact OE2-NE 3.41Å; E852-R909 PolarHBondContact OE2-NE 2.79Å; E852-R909 IonicContact OE2-NH2 3.83Å; E852-R909 PolarHBondContact OE2-NH2 2.91Å; E852-Y910 CarbonylContact C-O 3.55Å; E852-Y910 WeakPolarHBondContact CA-O 3.36Å; E852-K911 HydrophobicContact CG-CB 4.43Å; E852-K911 HydrophobicContact CG-CG 3.75Å; E852-K911 WeakPolarHBondContact OE1-CE 3.22Å
853	L	91.7	Very high	93.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.2	161.8	176.2	70.9	0	0	0	109.7	Y846 V855 L881 Y910 I912 L917 L945 W950	Y846-L853 HydrophobicContact CD2-CB 4.32Å; L853-V855 HydrophobicContact CD2-CG2 4.22Å; L853-V855 HydrophobicContact CG-CG2 4.24Å; L853-L881 HydrophobicContact CD2-CD1 4.32Å; L853-L881 HydrophobicContact CD2-CD2 3.83Å; L853-Y910 PolarHBondContact N-O 3.34Å; L853-Y910 PolarHBondContact O-N 3.16Å; L853-I912 HydrophobicContact CB-CG2 4.05Å; L853-L917 HydrophobicContact CB-CD2 4.2Å; L853-L917 HydrophobicContact CD2-CD2 3.94Å; L853-L945 HydrophobicContact CD2-CD1 4.17Å; L853-W950 HydrophobicContact CD1-CH2 3.54Å; L853-W950 HydrophobicContact CD1-CZ3 3.57Å
854	H	93.8	Very high	93.5	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.06	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.6	177.7	-75.1	-135.8	0	0	0	108.8	D845 E852 I907	D845-H854 PolarHBondContact N-O 3.37Å; D845-H854 VanDerWaalsContact N-O 3.09Å; D845-H854 PolarHBondContact O-N 3.3Å; E852-H854 IonicContact OE2-CD2 3.22Å; E852-H854 IonicContact OE2-CE1 3.09Å; E852-H854 IonicContact OE2-NE2 2.69Å; E852-H854 PolarHBondContact OE2-NE2 3.29Å; H854-I907 HydrophobicContact CB-CG2 3.86Å
855	V	94.6	Very high	93.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	101.6	174.6	-174.2	0	0	0	0	108.3	F842 L844 L853 V857 T879 L908 Y910 L922 L924	F842-V855 HydrophobicContact CD2-CG1 4.37Å; L844-V855 HydrophobicContact CD2-CB 4.12Å; L844-V855 HydrophobicContact CD2-CG1 3.78Å; L844-V855 HydrophobicContact CD2-CG2 3.82Å; L853-V855 HydrophobicContact CD2-CG2 4.22Å; L853-V855 HydrophobicContact CG-CG2 4.24Å; V855-V857 HydrophobicContact CG1-CG2 4.3Å; V855-V857 PolarHBondContact O-N 3.21Å; V855-T879 HydrophobicContact CG1-CG2 4.21Å; V855-L908 HydrophobicContact CB-CB 4.3Å; V855-L908 PolarHBondContact N-O 2.77Å; V855-L908 PolarHBondContact O-N 3.26Å; V855-Y910 HydrophobicContact CG2-CD2 4.21Å; V855-Y910 HydrophobicContact CG2-CE2 4.09Å; V855-L922 HydrophobicContact CG1-CD2 4.23Å; V855-L922 HydrophobicContact CG2-CD1 4.07Å; V855-L922 HydrophobicContact CG2-CD2 4.16Å; V855-L924 HydrophobicContact CG1-CD1 4.35Å
856	F	95.8	Very high	93	Very high	36 Å²	36	36.6 Å²	36.6	16%	0.158	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	107.6	-179.7	177	-129.1	0	0	0	110.4	F842 A843 A858 N905 I907 L958	F842-F856 CarbonylContact C-O 3.53Å; F842-F856 WeakPolarHBondContact CA-O 3.43Å; F842-F856 WeakPolarHBondContact CB-O 3.39Å; A843-F856 PolarHBondContact N-O 3.12Å; A843-F856 PolarHBondContact O-N 3.16Å; F856-A858 HydrophobicContact CE1-CB 4.39Å; F856-N905 HydrophobicContact CE2-CB 4.28Å; F856-N905 HydrophobicContact CZ-CB 4.41Å; F856-I907 HydrophobicContact CB-CG1 4.39Å; F856-I907 HydrophobicContact CD2-CG1 3.62Å; F856-I907 HydrophobicContact CE2-CG1 4.36Å; F856-I907 HydrophobicContact CG-CG1 4.36Å; F856-L958 HydrophobicContact CD1-CD2 3.69Å; F856-L958 HydrophobicContact CD1-CG 4.4Å; F856-L958 HydrophobicContact CE1-CD1 4.15Å; F856-L958 HydrophobicContact CE1-CD2 3.83Å; F856-L958 HydrophobicContact CE1-CG 4.28Å
857	V	96.9	Very high	92.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.7	179.3	-176.8	0	0	0	0	108.5	V855 V877 T893 Y904 N905 E906 L908 L924	V855-V857 HydrophobicContact CG1-CG2 4.3Å; V855-V857 PolarHBondContact O-N 3.21Å; V857-V877 HydrophobicContact CG1-CB 4.14Å; V857-V877 HydrophobicContact CG1-CG1 4.26Å; V857-V877 HydrophobicContact CG1-CG2 3.86Å; V857-V877 HydrophobicContact CG2-CG1 4.3Å; V857-T893 HydrophobicContact CB-CG2 4.13Å; V857-T893 HydrophobicContact CG1-CG2 4.14Å; V857-T893 HydrophobicContact CG2-CG2 4.39Å; V857-Y904 HydrophobicContact CG1-CD2 3.88Å; V857-Y904 HydrophobicContact CG1-CE2 4.44Å; V857-Y904 HydrophobicContact CG1-CG 4.46Å; V857-N905 WeakPolarHBondContact O-CA 3.15Å; V857-N905 PolarHBondContact O-N 3.08Å; V857-N905 VanDerWaalsContact O-N 3.14Å; V857-E906 PolarHBondContact N-O 3.17Å; V857-E906 PolarHBondContact O-N 3.04Å; V857-L908 HydrophobicContact CG2-CD1 4.07Å; V857-L908 HydrophobicContact CG2-CG 4.41Å; V857-L924 HydrophobicContact CG2-CD1 4.34Å
858	A	96.7	Very high	92	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-65.9	179.8	0	0	0	0	0	111	Q841 F856 Y904 N905 L958	Q841-A858 HydrophobicContact CB-CB 4.47Å; Q841-A858 PolarHBondContact O-N 3.18Å; F856-A858 HydrophobicContact CE1-CB 4.39Å; A858-Y904 PolarHBondContact O-N 3.33Å; A858-N905 PolarHBondContact O-N 2.89Å; A858-N905 PolarHBondContact O-OD1 3.41Å; A858-L958 HydrophobicContact CB-CD1 4.06Å; A858-L958 HydrophobicContact CB-CD2 3.69Å
859	Q	97.3	Very high	91.6	Very high	63 Å²	63	47 Å²	47	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	167.5	-170.6	56.2	-178.4	-3.4	0	0	112.9	Q841 P902 V903 W960	Q841-Q859 HydrophobicContact CB-CG 4Å; Q841-Q859 PolarHBondContact N-O 2.72Å; Q841-Q859 PolarHBondContact O-N 2.82Å; Q859-P902 CarbonylContact C-O 3.4Å; Q859-P902 WeakPolarHBondContact CA-O 3.25Å; Q859-P902 VanDerWaalsContact CB-O 3.28Å; Q859-P902 WeakPolarHBondContact CB-O 3.11Å; Q859-V903 HydrophobicContact CB-CB 4.41Å; Q859-V903 HydrophobicContact CB-CG2 4.1Å; Q859-W960 HydrophobicContact CG-CH2 3.83Å; Q859-W960 HydrophobicContact CG-CZ2 4.24Å
860	C	97.4	Very high	91.2	Very high	2 Å²	2	48 Å²	48	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	158.2	163	-50.6	0	0	0	0	110.6	S839 L863 N901 P902	S839-C860 CarbonylContact O-C 3.54Å; S839-C860 WeakPolarHBondContact O-CA 3.28Å; S839-C860 WeakPolarHBondContact O-CB 3.26Å; C860-L863 HydrophobicContact CB-CD1 3.83Å; C860-L863 HydrophobicContact CB-CD2 3.77Å; C860-L863 HydrophobicContact CB-CG 3.81Å; C860-N901 CarbonylContact O-C 3.51Å; C860-N901 WeakPolarHBondContact O-CA 3.22Å; C860-P902 HydrophobicContact CB-CG 3.76Å; C860-P902 PolarHBondContact N-O 2.96Å
861	K	95.8	Very high	90.9	Very high	96 Å²	96	50.8 Å²	50.8	42%	0.417	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.3	177.3	-161.7	-168.5	176.4	-67.9	0	110.6	G838 S839 L863 N901 W960	G838-K861 CarbonylContact C-O 3.43Å; G838-K861 WeakPolarHBondContact CA-O 3.28Å; S839-K861 PolarHBondContact N-O 3.19Å; S839-K861 PolarHBondContact O-N 3.11Å; K861-L863 VanDerWaalsContact C-N 3.28Å; K861-L863 PolarHBondContact O-N 3.36Å; K861-N901 VanDerWaalsContact CA-OD1 3.27Å; K861-N901 WeakPolarHBondContact CA-OD1 3.48Å; K861-W960 HydrophobicContact CB-CH2 3.7Å; K861-W960 HydrophobicContact CB-CZ3 3.7Å
862	D	94.2	Very high	90.8	Very high	82 Å²	82	51.7 Å²	51.7	44%	0.439	25%	0.248	S	C	.	.	S	Bend	trans	53.7	36.1	172.6	-45.1	-42.4	0	0	0	114.6	K837 G838 N901	K837-D862 CarbonylContact C-O 3.51Å; G838-D862 WeakPolarHBondContact CA-O 3.27Å; G838-D862 PolarHBondContact N-O 3.25Å; D862-N901 PolarHBondContact N-OD1 2.98Å
863	L	94.9	Very high	90.8	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	25%	0.246	C	C	.	.			trans	-61.1	149.7	-180	-66	-178.3	0	0	0	112.5	C860 K861 P875 L900 P902 V926 L938 L963	C860-L863 HydrophobicContact CB-CD1 3.83Å; C860-L863 HydrophobicContact CB-CD2 3.77Å; C860-L863 HydrophobicContact CB-CG 3.81Å; K861-L863 VanDerWaalsContact C-N 3.28Å; K861-L863 PolarHBondContact O-N 3.36Å; L863-P875 HydrophobicContact CD1-CB 3.62Å; L863-P875 HydrophobicContact CD1-CG 3.98Å; L863-L900 HydrophobicContact CB-CB 4.42Å; L863-L900 VanDerWaalsContact CB-O 3.3Å; L863-L900 WeakPolarHBondContact CB-O 3.37Å; L863-L900 VanDerWaalsContact CG-O 3.32Å; L863-L900 WeakPolarHBondContact CG-O 3.34Å; L863-L900 PolarHBondContact N-O 2.67Å; L863-P902 HydrophobicContact CD1-CG 3.74Å; L863-V926 HydrophobicContact CD1-CG1 4Å; L863-V926 HydrophobicContact CD2-CG1 4.13Å; L863-L938 HydrophobicContact CD1-CD1 4.31Å; L863-L963 HydrophobicContact CD2-CD1 3.33Å
864	A	91.3	Very high	91	Very high	9 Å²	9	52.7 Å²	52.7	7%	0.074	25%	0.254	C	S	.	.			trans	-58.1	137.6	171.4	0	0	0	0	0	112.6	E835 K837 A866 S873 L938	E835-A864 VanDerWaalsContact O-CB 3.26Å; E835-A864 WeakPolarHBondContact O-CB 3.31Å; K837-A864 PolarHBondContact O-N 3Å; A864-A866 PolarHBondContact O-N 2.9Å; A864-S873 PolarHBondContact O-OG 2.93Å; A864-L938 HydrophobicContact CB-CD2 4.24Å
865	A	90.5	Very high	91.1	Very high	16 Å²	16	52.1 Å²	52.1	13%	0.132	25%	0.251	C	S	.	.			trans	-83.1	108	176.1	0	0	0	0	0	111	L900	A865-L900 HydrophobicContact CB-CD1 4.27Å; A865-L900 HydrophobicContact CB-CD2 3.99Å
866	A	85	Confident	91.2	Very high	21 Å²	21	53.1 Å²	53.1	17%	0.174	26%	0.255	C	S	.	.	S	Bend	trans	-76.7	-32.2	-178.9	0	0	0	0	0	113.1	L834 A864 V868 R872 S873 H928 L938	L834-A866 HydrophobicContact CD1-CB 4.14Å; A864-A866 PolarHBondContact O-N 2.9Å; A866-V868 PolarHBondContact O-N 2.69Å; A866-R872 PolarHBondContact N-O 2.65Å; A866-S873 PolarHBondContact N-OG 3.48Å; A866-H928 HydrophobicContact CB-CB 3.79Å; A866-H928 WeakPolarHBondContact CB-CD2 3.41Å; A866-L938 HydrophobicContact CB-CD2 4.32Å
867	D	83.3	Confident	91.2	Very high	48 Å²	48	51.4 Å²	51.4	26%	0.257	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-94.1	87.8	166.1	-171.2	-13.1	0	0	0	109.5	K869 K870 Q871 R872	D867-K869 PolarHBondContact O-N 3.49Å; D867-K869 WeakPolarHBondContact OD1-CB 3.38Å; D867-K869 PolarHBondContact OD1-N 3.35Å; D867-K869 VanDerWaalsContact OD1-N 3.16Å; D867-K870 HydrophobicContact CB-CB 4.37Å; D867-K870 CarbonylContact O-C 3.38Å; D867-K870 PolarHBondContact O-N 3.09Å; D867-K870 PolarHBondContact OD1-N 3.35Å; D867-K870 WeakPolarHBondContact OD2-CD 3.44Å; D867-K870 WeakPolarHBondContact OD2-CG 3.46Å; D867-K870 IonicContact OD2-NZ 2.72Å; D867-K870 PolarHBondContact OD2-NZ 3.34Å; D867-Q871 PolarHBondContact O-N 3.19Å; D867-R872 PolarHBondContact N-O 2.97Å; D867-R872 PolarHBondContact O-N 3.15Å
868	V	77.4	Confident	91.1	Very high	100 Å²	100	52.1 Å²	52.1	61%	0.606	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-30.4	179.3	-176	0	0	0	0	112	A866 K870 Q871	A866-V868 PolarHBondContact O-N 2.69Å; V868-K870 VanDerWaalsContact C-N 3.31Å; V868-K870 PolarHBondContact O-N 2.78Å; V868-Q871 PolarHBondContact O-NE2 2.81Å
869	K	79.9	Confident	91	Very high	201 Å²	201	52 Å²	52	87%	0.874	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-21.7	177.6	-64.6	-165.2	175.4	-164.1	0	113.3	D867	D867-K869 PolarHBondContact O-N 3.49Å; D867-K869 WeakPolarHBondContact OD1-CB 3.38Å; D867-K869 PolarHBondContact OD1-N 3.35Å; D867-K869 VanDerWaalsContact OD1-N 3.16Å
870	K	84.7	Confident	90.6	Very high	132 Å²	132	49.4 Å²	49.4	57%	0.574	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-2.5	-178.8	-59.8	-169.4	-165.8	67.5	0	114.1	D867 V868 R872	D867-K870 HydrophobicContact CB-CB 4.37Å; D867-K870 CarbonylContact O-C 3.38Å; D867-K870 PolarHBondContact O-N 3.09Å; D867-K870 PolarHBondContact OD1-N 3.35Å; D867-K870 WeakPolarHBondContact OD2-CD 3.44Å; D867-K870 WeakPolarHBondContact OD2-CG 3.46Å; D867-K870 IonicContact OD2-NZ 2.72Å; D867-K870 PolarHBondContact OD2-NZ 3.34Å; V868-K870 VanDerWaalsContact C-N 3.31Å; V868-K870 PolarHBondContact O-N 2.78Å; K870-R872 HydrophobicContact CB-CB 4.42Å; K870-R872 WeakPolarHBondContact O-CD 3.18Å; K870-R872 VanDerWaalsContact O-CG 3.25Å; K870-R872 WeakPolarHBondContact O-CG 3.3Å; K870-R872 PolarHBondContact O-N 2.87Å; K870-R872 PolarHBondContact O-NE 3.29Å
871	Q	85.3	Confident	90.3	Very high	119 Å²	119	49.6 Å²	49.6	56%	0.556	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	41.9	-174	-67.7	-61.2	-39.9	0	0	113.2	D867 V868	D867-Q871 PolarHBondContact O-N 3.19Å; V868-Q871 PolarHBondContact O-NE2 2.81Å
872	R	88.3	Confident	89.7	Confident	131 Å²	131	46 Å²	46	49%	0.494	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-139.9	156.8	-172.1	-74.3	164.6	-157.2	-85.2	2.3	112	A866 D867 K870 K898	A866-R872 PolarHBondContact N-O 2.65Å; D867-R872 PolarHBondContact N-O 2.97Å; D867-R872 PolarHBondContact O-N 3.15Å; K870-R872 HydrophobicContact CB-CB 4.42Å; K870-R872 WeakPolarHBondContact O-CD 3.18Å; K870-R872 VanDerWaalsContact O-CG 3.25Å; K870-R872 WeakPolarHBondContact O-CG 3.3Å; K870-R872 PolarHBondContact O-N 2.87Å; K870-R872 PolarHBondContact O-NE 3.29Å; R872-K898 PolarHBondContact NH1-O 3.01Å
873	S	92.6	Very high	88.8	Confident	1 Å²	1	46 Å²	46	1%	0.007	23%	0.228	C	C	.	.			trans	-132.1	155.9	170.2	-70.9	0	0	0	0	109.3	A864 A866 P875 K898 T899	A864-S873 PolarHBondContact O-OG 2.93Å; A866-S873 PolarHBondContact N-OG 3.48Å; S873-P875 WeakPolarHBondContact O-CD 3.37Å; S873-K898 CarbonylContact O-C 3.58Å; S873-K898 WeakPolarHBondContact O-CA 3.29Å; S873-K898 PolarHBondContact O-N 2.88Å; S873-T899 PolarHBondContact O-N 3.08Å; S873-T899 VanDerWaalsContact O-O 3.05Å
874	D	94.5	Very high	87.5	Confident	31 Å²	31	47.8 Å²	47.8	17%	0.166	24%	0.238	C	C	.	.			trans	-105.7	78.2	162.5	-76.6	7.9	0	0	0	108.2	V895 V896 K897 K898 H928 R929	D874-V895 HydrophobicContact CB-CG1 4.07Å; D874-V896 CarbonylContact C-O 3.53Å; D874-V896 VanDerWaalsContact C-O 3.27Å; D874-V896 VanDerWaalsContact CA-O 3.27Å; D874-V896 WeakPolarHBondContact CA-O 3.48Å; D874-K897 VanDerWaalsContact OD1-CA 3.29Å; D874-K897 WeakPolarHBondContact OD1-CA 3.25Å; D874-K898 PolarHBondContact OD1-N 2.88Å; D874-H928 PolarHBondContact N-CE1 2.89Å; D874-H928 PolarHBondContact N-ND1 3.08Å; D874-H928 CarbonylContact O-C 3.55Å; D874-H928 WeakPolarHBondContact O-CA 3.41Å; D874-H928 PolarHBondContact O-ND1 3.44Å; D874-R929 PolarHBondContact O-N 3.22Å
875	P	96.3	Very high	85.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	151.1	-172.9	32.6	-40	0	0	0	114.7	L863 S873 V896 T899 P902 V926 W927 L938	L863-P875 HydrophobicContact CD1-CB 3.62Å; L863-P875 HydrophobicContact CD1-CG 3.98Å; S873-P875 WeakPolarHBondContact O-CD 3.37Å; P875-V896 WeakPolarHBondContact CD-O 3.46Å; P875-V896 PolarHBondContact O-N 3.16Å; P875-T899 WeakPolarHBondContact CD-O 3.38Å; P875-T899 HydrophobicContact CG-CG2 4.11Å; P875-P902 HydrophobicContact CB-CG 4.12Å; P875-P902 HydrophobicContact CG-CB 3.66Å; P875-P902 HydrophobicContact CG-CG 3.55Å; P875-V926 HydrophobicContact CB-CG1 4.49Å; P875-W927 CarbonylContact C-O 3.48Å; P875-W927 VanDerWaalsContact CA-O 3.28Å; P875-W927 WeakPolarHBondContact CA-O 3.46Å; P875-L938 HydrophobicContact CB-CD1 4.08Å
876	Y	96.6	Very high	84.4	Confident	22 Å²	22	55.5 Å²	55.5	9%	0.086	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.6	162.7	68.1	-87	0	0	0	110.7	K878 L894 V895 Y904 W927 R929 N935	Y876-K878 HydrophobicContact CE2-CB 4.2Å; Y876-L894 WeakPolarHBondContact CB-O 3.48Å; Y876-V895 HydrophobicContact CD1-CG2 3.97Å; Y876-V895 HydrophobicContact CG-CG2 4.16Å; Y876-Y904 WeakPolarHBondContact CA-OH 3.45Å; Y876-W927 HydrophobicContact CD1-CB 4.14Å; Y876-W927 WeakPolarHBondContact CD1-O 3.35Å; Y876-W927 HydrophobicContact CD2-CB 4.36Å; Y876-W927 HydrophobicContact CE1-CB 3.55Å; Y876-W927 HydrophobicContact CE2-CB 3.78Å; Y876-W927 HydrophobicContact CE2-CG 4.05Å; Y876-W927 AromaticContact CZ-CG 3.85Å; Y876-W927 PolarHBondContact N-O 2.98Å; Y876-W927 PolarHBondContact O-N 2.85Å; Y876-W927 WeakPolarHBondContact OH-CB 3.49Å; Y876-R929 HydrophobicContact CD1-CB 4.09Å; Y876-R929 HydrophobicContact CE1-CB 4.02Å; Y876-N935 WeakPolarHBondContact CE1-ND2 3.18Å; Y876-N935 PolarHBondContact OH-ND2 2.86Å
877	V	96.5	Very high	82.9	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144	175.6	-178.1	0	0	0	0	110.2	V857 T879 K892 T893 Y904 L924 V926	V857-V877 HydrophobicContact CG1-CB 4.14Å; V857-V877 HydrophobicContact CG1-CG1 4.26Å; V857-V877 HydrophobicContact CG1-CG2 3.86Å; V857-V877 HydrophobicContact CG2-CG1 4.3Å; V877-T879 HydrophobicContact CG1-CG2 4.46Å; V877-K892 CarbonylContact O-C 3.59Å; V877-K892 WeakPolarHBondContact O-CA 3.36Å; V877-K892 VanDerWaalsContact O-CB 3.29Å; V877-K892 WeakPolarHBondContact O-CB 3.34Å; V877-T893 HydrophobicContact CB-CG2 3.97Å; V877-T893 PolarHBondContact N-OG1 2.62Å; V877-T893 PolarHBondContact O-N 2.67Å; V877-Y904 HydrophobicContact CG2-CD2 4.36Å; V877-Y904 HydrophobicContact CG2-CE2 3.67Å; V877-L924 HydrophobicContact CG1-CD1 4.13Å; V877-L924 HydrophobicContact CG1-CD2 3.6Å; V877-L924 HydrophobicContact CG1-CG 3.64Å; V877-V926 HydrophobicContact CG2-CG2 4.26Å
878	K	94.4	Very high	81.8	Confident	15 Å²	15	65.6 Å²	65.6	7%	0.065	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	115.1	-177.2	-173.3	-167.1	-170.2	-168.6	0	107.4	S825 Y876 Y880 K891 S925 W927	S825-K878 PolarHBondContact OG-NZ 3.43Å; Y876-K878 HydrophobicContact CE2-CB 4.2Å; K878-Y880 HydrophobicContact CD-CE2 4.03Å; K878-Y880 VanDerWaalsContact CE-CZ 3.48Å; K878-Y880 WeakPolarHBondContact CE-OH 3.1Å; K878-Y880 HydrophobicContact CG-CE2 4.2Å; K878-Y880 PolarHBondContact NZ-OH 3.14Å; K878-K891 WeakPolarHBondContact CA-O 3.44Å; K878-S925 PolarHBondContact N-O 3.26Å; K878-S925 PolarHBondContact O-N 3.46Å; K878-S925 PolarHBondContact O-OG 3.33Å; K878-S925 VanDerWaalsContact O-OG 3.12Å; K878-W927 HydrophobicContact CD-CZ2 4.15Å; K878-W927 VanDerWaalsContact CD-NE1 3.34Å
879	T	93.8	Very high	81.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	153.3	177.6	51.8	0	0	0	0	111.1	V855 V877 K890 K891 L908 Y910 L922 N923 L924	V855-T879 HydrophobicContact CG1-CG2 4.21Å; V877-T879 HydrophobicContact CG1-CG2 4.46Å; T879-K890 WeakPolarHBondContact O-CA 3.1Å; T879-K891 PolarHBondContact N-O 2.8Å; T879-K891 PolarHBondContact O-N 3.04Å; T879-L908 HydrophobicContact CG2-CD1 3.96Å; T879-L908 WeakPolarHBondContact OG1-CD1 3.3Å; T879-Y910 WeakPolarHBondContact CB-OH 2.97Å; T879-Y910 PolarHBondContact O-OH 2.62Å; T879-Y910 PolarHBondContact OG1-OH 3.15Å; T879-L922 HydrophobicContact CG2-CD1 4.42Å; T879-N923 CarbonylContact C-O 3.46Å; T879-N923 VanDerWaalsContact CA-O 3.3Å; T879-N923 WeakPolarHBondContact CA-O 3.27Å; T879-L924 HydrophobicContact CG2-CB 3.94Å; T879-L924 HydrophobicContact CG2-CD1 3.73Å; T879-L924 HydrophobicContact CG2-CG 3.66Å
880	Y	90.5	Very high	81.7	Confident	8 Å²	8	56.3 Å²	56.3	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.4	170.1	-47.8	-101.7	0	0	0	111.8	S825 V826 K878 G889 K890 L922 N923	S825-Y880 PolarHBondContact O-OH 2.74Å; S825-Y880 VanDerWaalsContact O-OH 3.08Å; S825-Y880 PolarHBondContact OG-OH 3.34Å; S825-Y880 VanDerWaalsContact OG-OH 3.11Å; V826-Y880 HydrophobicContact CG2-CD1 4.28Å; V826-Y880 HydrophobicContact CG2-CD2 4.04Å; V826-Y880 HydrophobicContact CG2-CE1 3.86Å; V826-Y880 HydrophobicContact CG2-CE2 3.58Å; V826-Y880 HydrophobicContact CG2-CG 4.31Å; V826-Y880 VanDerWaalsContact CG2-CZ 3.4Å; V826-Y880 WeakPolarHBondContact CG2-OH 3.22Å; K878-Y880 HydrophobicContact CD-CE2 4.03Å; K878-Y880 VanDerWaalsContact CE-CZ 3.48Å; K878-Y880 WeakPolarHBondContact CE-OH 3.1Å; K878-Y880 HydrophobicContact CG-CE2 4.2Å; K878-Y880 PolarHBondContact NZ-OH 3.14Å; Y880-G889 WeakPolarHBondContact CA-O 2.95Å; Y880-G889 WeakPolarHBondContact CB-O 3.48Å; Y880-K890 HydrophobicContact CD1-CB 3.97Å; Y880-K890 HydrophobicContact CD1-CG 4.09Å; Y880-K890 HydrophobicContact CE1-CB 4.39Å; Y880-K890 HydrophobicContact CE1-CD 4.09Å; Y880-K890 HydrophobicContact CE1-CG 4.11Å; Y880-L922 WeakPolarHBondContact O-CA 3.36Å; Y880-N923 HydrophobicContact CD2-CB 4.28Å; Y880-N923 WeakPolarHBondContact CD2-OD1 3.2Å; Y880-N923 PolarHBondContact N-O 2.86Å; Y880-N923 PolarHBondContact O-N 3.46Å
881	L	89.5	Confident	82	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.8	161.7	-63.7	178.2	0	0	0	108.8	L853 D884 G889 Y910 I912 K921 L922 L945	L853-L881 HydrophobicContact CD2-CD1 4.32Å; L853-L881 HydrophobicContact CD2-CD2 3.83Å; L881-D884 VanDerWaalsContact O-CA 3.32Å; L881-D884 WeakPolarHBondContact O-CA 3.22Å; L881-D884 WeakPolarHBondContact O-CB 3.34Å; L881-D884 PolarHBondContact O-N 3.27Å; L881-G889 PolarHBondContact N-O 2.88Å; L881-G889 VanDerWaalsContact N-O 3.16Å; L881-Y910 HydrophobicContact CD1-CD1 3.65Å; L881-Y910 HydrophobicContact CD1-CD2 4.33Å; L881-Y910 HydrophobicContact CD1-CE1 4.23Å; L881-Y910 HydrophobicContact CD1-CG 3.7Å; L881-Y910 HydrophobicContact CG-CD1 4Å; L881-Y910 HydrophobicContact CG-CE1 4.06Å; L881-Y910 HydrophobicContact CG-CG 4.23Å; L881-I912 HydrophobicContact CD1-CD1 4.12Å; L881-I912 HydrophobicContact CD1-CG2 4.13Å; L881-K921 WeakPolarHBondContact CA-O 3.45Å; L881-L922 HydrophobicContact CD2-CB 4.38Å; L881-L922 HydrophobicContact CD2-CD1 3.9Å; L881-L945 HydrophobicContact CD2-CD1 3.76Å
882	L	84.7	Confident	82.5	Confident	19 Å²	19	53.1 Å²	53.1	10%	0.099	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.3	-174	-58.5	179.2	0	0	0	110.1	V823 Q920 K921 N923	V823-L882 HydrophobicContact CG1-CD2 3.88Å; L882-Q920 CarbonylContact O-C 3.5Å; L882-Q920 VanDerWaalsContact O-CA 3.23Å; L882-Q920 WeakPolarHBondContact O-CA 3.48Å; L882-K921 PolarHBondContact N-O 2.73Å; L882-K921 PolarHBondContact O-N 2.99Å; L882-N923 HydrophobicContact CD1-CB 3.73Å; L882-N923 HydrophobicContact CG-CB 4.38Å
883	P	75.6	Confident	82.9	Confident	84 Å²	84	47 Å²	47	55%	0.545	23%	0.232	S	C	.	.	S	Bend	cis	-69.2	127.3	-9.2	27.6	-35.3	0	0	0	112.3	K885 Q920	P883-K885 PolarHBondContact O-N 2.91Å; P883-Q920 VanDerWaalsContact CD-NE2 3.34Å; P883-Q920 PolarHBondContact O-NE2 2.73Å; P883-Q920 PolarHBondContact O-OE1 3.27Å
884	D	66.6	Low	83	Confident	41 Å²	41	53 Å²	53	22%	0.219	26%	0.262	C	S	.	.			trans	-65.4	104.1	-179.7	-176.2	-4.7	0	0	0	110.7	V823 L881 G886 G889	V823-D884 HydrophobicContact CG1-CB 4.49Å; L881-D884 VanDerWaalsContact O-CA 3.32Å; L881-D884 WeakPolarHBondContact O-CA 3.22Å; L881-D884 WeakPolarHBondContact O-CB 3.34Å; L881-D884 PolarHBondContact O-N 3.27Å; D884-G886 PolarHBondContact O-N 2.86Å; D884-G886 VanDerWaalsContact O-N 3.08Å; D884-G886 PolarHBondContact OD1-N 3.47Å; D884-G889 VanDerWaalsContact CG-CA 3.46Å; D884-G889 WeakPolarHBondContact OD1-CA 3.47Å; D884-G889 PolarHBondContact OD1-N 2.73Å; D884-G889 VanDerWaalsContact OD1-N 3.15Å; D884-G889 WeakPolarHBondContact OD2-CA 3.44Å; D884-G889 PolarHBondContact OD2-N 3.08Å
885	K	58.8	Low	83.1	Confident	151 Å²	151	53.3 Å²	53.3	66%	0.657	27%	0.266	S	S	*	.			trans	-78	23.9	179.3	-63.5	-171.9	178	173.7	0	113.7	P883	P883-K885 PolarHBondContact O-N 2.91Å
886	G	57	Low	83.1	Confident	35 Å²	35	55.4 Å²	55.4	36%	0.361	28%	0.278	S	S	.	.	S	Bend	trans	-172.9	-138.4	173.9	0	0	0	0	0	116.8	D884	D884-G886 PolarHBondContact O-N 2.86Å; D884-G886 VanDerWaalsContact O-N 3.08Å; D884-G886 PolarHBondContact OD1-N 3.47Å
887	K	54.3	Low	83	Confident	178 Å²	178	61 Å²	61	77%	0.774	30%	0.303	S	S	*	.	S	Bend	trans	-108.4	4.9	168.4	-67.7	-177.8	179	177.3	0	111.9
888	M	60.1	Low	82.8	Confident	104 Å²	104	68 Å²	68	51%	0.512	33%	0.334	S	S	.	.			trans	-101.3	-20.3	-167.6	-171.2	65.2	76.2	0	0	112.6	K890 K891	M888-K890 PolarHBondContact O-N 3.21Å; M888-K891 WeakPolarHBondContact O-CE 3.46Å; M888-K891 PolarHBondContact SD-NZ 3.35Å
889	G	68.7	Low	82.9	Confident	5 Å²	5	69 Å²	69	5%	0.052	34%	0.341	C	S	.	.	S	Bend	trans	-74.4	28.1	-172.8	0	0	0	0	0	116	Y880 L881 D884	Y880-G889 WeakPolarHBondContact CA-O 2.95Å; Y880-G889 WeakPolarHBondContact CB-O 3.48Å; L881-G889 PolarHBondContact N-O 2.88Å; L881-G889 VanDerWaalsContact N-O 3.16Å; D884-G889 VanDerWaalsContact CG-CA 3.46Å; D884-G889 WeakPolarHBondContact OD1-CA 3.47Å; D884-G889 PolarHBondContact OD1-N 2.73Å; D884-G889 VanDerWaalsContact OD1-N 3.15Å; D884-G889 WeakPolarHBondContact OD2-CA 3.44Å; D884-G889 PolarHBondContact OD2-N 3.08Å
890	K	86.2	Confident	82.9	Confident	101 Å²	101	71 Å²	71	44%	0.439	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128.8	171.8	175.5	-177.2	165.9	-173.4	0	111.6	T879 Y880 M888	T879-K890 WeakPolarHBondContact O-CA 3.1Å; Y880-K890 HydrophobicContact CD1-CB 3.97Å; Y880-K890 HydrophobicContact CD1-CG 4.09Å; Y880-K890 HydrophobicContact CE1-CB 4.39Å; Y880-K890 HydrophobicContact CE1-CD 4.09Å; Y880-K890 HydrophobicContact CE1-CG 4.11Å; M888-K890 PolarHBondContact O-N 3.21Å
891	K	92.3	Very high	83.2	Confident	53 Å²	53	74.7 Å²	74.7	23%	0.23	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	167.6	171.2	-52.1	-72.9	160	144.3	0	109.9	K878 T879 M888 L908 R909 Y910	K878-K891 WeakPolarHBondContact CA-O 3.44Å; T879-K891 PolarHBondContact N-O 2.8Å; T879-K891 PolarHBondContact O-N 3.04Å; M888-K891 WeakPolarHBondContact O-CE 3.46Å; M888-K891 PolarHBondContact SD-NZ 3.35Å; K891-L908 HydrophobicContact CB-CB 3.85Å; K891-L908 HydrophobicContact CB-CD1 4.17Å; K891-L908 HydrophobicContact CB-CD2 4.27Å; K891-L908 HydrophobicContact CB-CG 4.32Å; K891-L908 HydrophobicContact CG-CB 4.37Å; K891-R909 WeakPolarHBondContact CE-O 3.26Å; K891-R909 PolarHBondContact NZ-O 2.71Å; K891-Y910 HydrophobicContact CB-CE2 4.29Å; K891-Y910 HydrophobicContact CD-CE1 4.47Å; K891-Y910 HydrophobicContact CG-CD1 4.14Å; K891-Y910 HydrophobicContact CG-CD2 4.26Å; K891-Y910 HydrophobicContact CG-CE1 3.55Å; K891-Y910 HydrophobicContact CG-CE2 3.7Å; K891-Y910 HydrophobicContact CG-CG 4.45Å; K891-Y910 WeakPolarHBondContact CG-OH 3.04Å; K891-Y910 PolarHBondContact N-OH 3Å; K891-Y910 VanDerWaalsContact N-OH 3.15Å
892	K	94.6	Very high	83.5	Confident	131 Å²	131	74.4 Å²	74.4	57%	0.57	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.6	155.6	175.4	58.1	156	-170.5	164.5	0	110.9	V877 L908	V877-K892 CarbonylContact O-C 3.59Å; V877-K892 WeakPolarHBondContact O-CA 3.36Å; V877-K892 VanDerWaalsContact O-CB 3.29Å; V877-K892 WeakPolarHBondContact O-CB 3.34Å; K892-L908 VanDerWaalsContact O-CD2 3.29Å; K892-L908 WeakPolarHBondContact O-CD2 3.42Å
893	T	97	Very high	84.1	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.018	39%	0.387	C	S	.	.			trans	-79	177.1	169.4	62.9	0	0	0	0	111.6	V857 V877 Y904 E906 L908	V857-T893 HydrophobicContact CB-CG2 4.13Å; V857-T893 HydrophobicContact CG1-CG2 4.14Å; V857-T893 HydrophobicContact CG2-CG2 4.39Å; V877-T893 HydrophobicContact CB-CG2 3.97Å; V877-T893 PolarHBondContact N-OG1 2.62Å; V877-T893 PolarHBondContact O-N 2.67Å; T893-Y904 HydrophobicContact CG2-CD1 4.11Å; T893-Y904 HydrophobicContact CG2-CG 4.13Å; T893-Y904 WeakPolarHBondContact OG1-CD1 3.49Å; T893-Y904 WeakPolarHBondContact OG1-CE1 3.28Å; T893-E906 VanDerWaalsContact CA-OE2 3.23Å; T893-E906 WeakPolarHBondContact CA-OE2 3.41Å; T893-E906 WeakPolarHBondContact CB-OE1 3.5Å; T893-E906 HydrophobicContact CG2-CB 4.09Å; T893-L908 HydrophobicContact CG2-CD1 4.25Å; T893-L908 HydrophobicContact CG2-CD2 4.37Å
894	L	95.9	Very high	85.2	Confident	125 Å²	125	74.1 Å²	74.1	65%	0.654	37%	0.365	S	S	*	.			trans	-63.9	166.5	158.3	-60.3	177.6	0	0	0	111.3	Y876 Y904 E906	Y876-L894 WeakPolarHBondContact CB-O 3.48Å; L894-Y904 WeakPolarHBondContact O-CE1 3.46Å; L894-E906 VanDerWaalsContact CB-OE1 3.28Å; L894-E906 WeakPolarHBondContact CB-OE1 3.43Å; L894-E906 WeakPolarHBondContact CG-OE1 3.47Å; L894-E906 PolarHBondContact N-OE1 3.46Å; L894-E906 PolarHBondContact N-OE2 3.43Å; L894-E906 VanDerWaalsContact N-OE2 3.1Å
895	V	96.5	Very high	86.5	Confident	39 Å²	39	76.8 Å²	76.8	24%	0.236	38%	0.38	C	S	.	.			trans	-99.5	112.6	177.6	-173.6	0	0	0	0	108.6	D874 Y876 R929	D874-V895 HydrophobicContact CB-CG1 4.07Å; Y876-V895 HydrophobicContact CD1-CG2 3.97Å; Y876-V895 HydrophobicContact CG-CG2 4.16Å; V895-R929 HydrophobicContact CG1-CB 3.9Å; V895-R929 HydrophobicContact CG2-CB 4.4Å
896	V	96.5	Very high	88.3	Confident	43 Å²	43	71.8 Å²	71.8	26%	0.261	36%	0.358	S	S	.	.			trans	-82.6	139.6	170	-170.1	0	0	0	0	107.4	D874 P875 T899 P902 Y904	D874-V896 CarbonylContact C-O 3.53Å; D874-V896 VanDerWaalsContact C-O 3.27Å; D874-V896 VanDerWaalsContact CA-O 3.27Å; D874-V896 WeakPolarHBondContact CA-O 3.48Å; P875-V896 WeakPolarHBondContact CD-O 3.46Å; P875-V896 PolarHBondContact O-N 3.16Å; V896-T899 HydrophobicContact CB-CG2 4.17Å; V896-T899 HydrophobicContact CG1-CG2 3.59Å; V896-P902 HydrophobicContact CB-CB 3.87Å; V896-P902 HydrophobicContact CG1-CB 4.25Å; V896-P902 HydrophobicContact CG2-CB 3.97Å; V896-Y904 HydrophobicContact CG2-CD1 3.77Å; V896-Y904 HydrophobicContact CG2-CE1 3.71Å
897	K	94.6	Very high	90.2	Very high	141 Å²	141	72.7 Å²	72.7	61%	0.613	36%	0.355	S	S	*	.			trans	-104	153.1	-174	-64.2	-171.4	178	178.6	0	112.8	D874 T899	D874-K897 VanDerWaalsContact OD1-CA 3.29Å; D874-K897 WeakPolarHBondContact OD1-CA 3.25Å; K897-T899 PolarHBondContact O-N 2.9Å; K897-T899 VanDerWaalsContact O-N 3.16Å
898	K	92.3	Very high	92.1	Very high	147 Å²	147	64.7 Å²	64.7	64%	0.639	32%	0.32	S	S	*	.	S	Bend	trans	55.5	27.8	167.6	-61.9	-179	179.2	-179.7	0	115.6	R872 S873 D874	R872-K898 PolarHBondContact NH1-O 3.01Å; S873-K898 CarbonylContact O-C 3.58Å; S873-K898 WeakPolarHBondContact O-CA 3.29Å; S873-K898 PolarHBondContact O-N 2.88Å; D874-K898 PolarHBondContact OD1-N 2.88Å
899	T	94.5	Very high	93.7	Very high	35 Å²	35	64.3 Å²	64.3	22%	0.215	31%	0.313	C	S	.	.			trans	-132.6	150.4	-175.4	-172.4	0	0	0	0	112.9	S873 P875 V896 K897 N901 P902	S873-T899 PolarHBondContact O-N 3.08Å; S873-T899 VanDerWaalsContact O-O 3.05Å; P875-T899 WeakPolarHBondContact CD-O 3.38Å; P875-T899 HydrophobicContact CG-CG2 4.11Å; V896-T899 HydrophobicContact CB-CG2 4.17Å; V896-T899 HydrophobicContact CG1-CG2 3.59Å; K897-T899 PolarHBondContact O-N 2.9Å; K897-T899 VanDerWaalsContact O-N 3.16Å; T899-N901 PolarHBondContact OG1-N 2.75Å; T899-N901 PolarHBondContact OG1-O 3.19Å; T899-P902 HydrophobicContact CG2-CB 3.87Å
900	L	94.9	Very high	94.8	Very high	43 Å²	43	64.2 Å²	64.2	23%	0.225	31%	0.311	C	S	.	.	S	Bend	trans	-102.5	-8.2	167.1	-51.9	-176.9	0	0	0	112.2	L863 A865 P902	L863-L900 HydrophobicContact CB-CB 4.42Å; L863-L900 VanDerWaalsContact CB-O 3.3Å; L863-L900 WeakPolarHBondContact CB-O 3.37Å; L863-L900 VanDerWaalsContact CG-O 3.32Å; L863-L900 WeakPolarHBondContact CG-O 3.34Å; L863-L900 PolarHBondContact N-O 2.67Å; A865-L900 HydrophobicContact CB-CD1 4.27Å; A865-L900 HydrophobicContact CB-CD2 3.99Å; L900-P902 VanDerWaalsContact C-CD 3.45Å; L900-P902 WeakPolarHBondContact O-CD 3.42Å
901	N	96.2	Very high	94.9	Very high	84 Å²	84	65.9 Å²	65.9	45%	0.449	32%	0.318	S	S	.	.	S	Bend	trans	-124.2	71.2	178.7	-60.2	-54.3	0	0	0	109.3	C860 K861 D862 T899	C860-N901 CarbonylContact O-C 3.51Å; C860-N901 WeakPolarHBondContact O-CA 3.22Å; K861-N901 VanDerWaalsContact CA-OD1 3.27Å; K861-N901 WeakPolarHBondContact CA-OD1 3.48Å; D862-N901 PolarHBondContact N-OD1 2.98Å; T899-N901 PolarHBondContact OG1-N 2.75Å; T899-N901 PolarHBondContact OG1-O 3.19Å
902	P	96.7	Very high	94.7	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	32%	0.315	C	S	.	.			trans	-76.4	135.5	179.9	31.8	-37	0	0	0	112	Q859 C860 L863 P875 V896 T899 L900 Y904	Q859-P902 CarbonylContact C-O 3.4Å; Q859-P902 WeakPolarHBondContact CA-O 3.25Å; Q859-P902 VanDerWaalsContact CB-O 3.28Å; Q859-P902 WeakPolarHBondContact CB-O 3.11Å; C860-P902 HydrophobicContact CB-CG 3.76Å; C860-P902 PolarHBondContact N-O 2.96Å; L863-P902 HydrophobicContact CD1-CG 3.74Å; P875-P902 HydrophobicContact CB-CG 4.12Å; P875-P902 HydrophobicContact CG-CB 3.66Å; P875-P902 HydrophobicContact CG-CG 3.55Å; V896-P902 HydrophobicContact CB-CB 3.87Å; V896-P902 HydrophobicContact CG1-CB 4.25Å; V896-P902 HydrophobicContact CG2-CB 3.97Å; T899-P902 HydrophobicContact CG2-CB 3.87Å; L900-P902 VanDerWaalsContact C-CD 3.45Å; L900-P902 WeakPolarHBondContact O-CD 3.42Å; P902-Y904 HydrophobicContact CB-CE1 4.23Å; P902-Y904 HydrophobicContact CB-CE2 3.84Å; P902-Y904 HydrophobicContact CG-CE2 3.72Å; P902-Y904 WeakPolarHBondContact CG-OH 3.17Å
903	V	97.4	Very high	94.4	Very high	75 Å²	75	61.2 Å²	61.2	46%	0.455	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.8	165.7	-175.6	0	0	0	0	107.8	Q859 N905	Q859-V903 HydrophobicContact CB-CB 4.41Å; Q859-V903 HydrophobicContact CB-CG2 4.1Å; V903-N905 WeakPolarHBondContact CG1-ND2 3.43Å
904	Y	97.2	Very high	93.9	Very high	22 Å²	22	65.1 Å²	65.1	9%	0.086	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-50.9	179.7	-52.6	-85	0	0	0	111	V857 A858 Y876 V877 T893 L894 V896 P902 E906	V857-Y904 HydrophobicContact CG1-CD2 3.88Å; V857-Y904 HydrophobicContact CG1-CE2 4.44Å; V857-Y904 HydrophobicContact CG1-CG 4.46Å; A858-Y904 PolarHBondContact O-N 3.33Å; Y876-Y904 WeakPolarHBondContact CA-OH 3.45Å; V877-Y904 HydrophobicContact CG2-CD2 4.36Å; V877-Y904 HydrophobicContact CG2-CE2 3.67Å; T893-Y904 HydrophobicContact CG2-CD1 4.11Å; T893-Y904 HydrophobicContact CG2-CG 4.13Å; T893-Y904 WeakPolarHBondContact OG1-CD1 3.49Å; T893-Y904 WeakPolarHBondContact OG1-CE1 3.28Å; L894-Y904 WeakPolarHBondContact O-CE1 3.46Å; V896-Y904 HydrophobicContact CG2-CD1 3.77Å; V896-Y904 HydrophobicContact CG2-CE1 3.71Å; P902-Y904 HydrophobicContact CB-CE1 4.23Å; P902-Y904 HydrophobicContact CB-CE2 3.84Å; P902-Y904 HydrophobicContact CG-CE2 3.72Å; P902-Y904 WeakPolarHBondContact CG-OH 3.17Å; Y904-E906 PolarHBondContact O-N 3.11Å
905	N	95.9	Very high	93.3	Very high	97 Å²	97	65.3 Å²	65.3	52%	0.519	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.2	42.9	-170.3	-62.1	-30.5	0	0	0	112.9	F856 V857 A858 V903	F856-N905 HydrophobicContact CE2-CB 4.28Å; F856-N905 HydrophobicContact CZ-CB 4.41Å; V857-N905 WeakPolarHBondContact O-CA 3.15Å; V857-N905 PolarHBondContact O-N 3.08Å; V857-N905 VanDerWaalsContact O-N 3.14Å; A858-N905 PolarHBondContact O-N 2.89Å; A858-N905 PolarHBondContact O-OD1 3.41Å; V903-N905 WeakPolarHBondContact CG1-ND2 3.43Å
906	E	96.5	Very high	92.8	Very high	45 Å²	45	67.7 Å²	67.7	21%	0.21	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141	-176	-76.4	-178.9	-114.9	0	0	112.3	V857 T893 L894 Y904	V857-E906 PolarHBondContact N-O 3.17Å; V857-E906 PolarHBondContact O-N 3.04Å; T893-E906 VanDerWaalsContact CA-OE2 3.23Å; T893-E906 WeakPolarHBondContact CA-OE2 3.41Å; T893-E906 WeakPolarHBondContact CB-OE1 3.5Å; T893-E906 HydrophobicContact CG2-CB 4.09Å; L894-E906 VanDerWaalsContact CB-OE1 3.28Å; L894-E906 WeakPolarHBondContact CB-OE1 3.43Å; L894-E906 WeakPolarHBondContact CG-OE1 3.47Å; L894-E906 PolarHBondContact N-OE1 3.46Å; L894-E906 PolarHBondContact N-OE2 3.43Å; L894-E906 VanDerWaalsContact N-OE2 3.1Å; Y904-E906 PolarHBondContact O-N 3.11Å
907	I	95.5	Very high	92.3	Very high	55 Å²	55	65.7 Å²	65.7	28%	0.282	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114	177.6	-53.6	158.2	0	0	0	109.8	F401 L405 H854 F856 R909	F401-I907 HydrophobicContact CE1-CD1 3.62Å; F401-I907 HydrophobicContact CZ-CD1 3.63Å; L405-I907 HydrophobicContact CD1-CD1 4.28Å; H854-I907 HydrophobicContact CB-CG2 3.86Å; F856-I907 HydrophobicContact CB-CG1 4.39Å; F856-I907 HydrophobicContact CD2-CG1 3.62Å; F856-I907 HydrophobicContact CE2-CG1 4.36Å; F856-I907 HydrophobicContact CG-CG1 4.36Å; I907-R909 HydrophobicContact CG2-CG 3.97Å
908	L	94.9	Very high	91.7	Very high	10 Å²	10	65.1 Å²	65.1	5%	0.052	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.2	178.2	-53.9	-176.9	0	0	0	109.6	V855 V857 T879 K891 K892 T893	V855-L908 HydrophobicContact CB-CB 4.3Å; V855-L908 PolarHBondContact N-O 2.77Å; V855-L908 PolarHBondContact O-N 3.26Å; V857-L908 HydrophobicContact CG2-CD1 4.07Å; V857-L908 HydrophobicContact CG2-CG 4.41Å; T879-L908 HydrophobicContact CG2-CD1 3.96Å; T879-L908 WeakPolarHBondContact OG1-CD1 3.3Å; K891-L908 HydrophobicContact CB-CB 3.85Å; K891-L908 HydrophobicContact CB-CD1 4.17Å; K891-L908 HydrophobicContact CB-CD2 4.27Å; K891-L908 HydrophobicContact CB-CG 4.32Å; K891-L908 HydrophobicContact CG-CB 4.37Å; K892-L908 VanDerWaalsContact O-CD2 3.29Å; K892-L908 WeakPolarHBondContact O-CD2 3.42Å; T893-L908 HydrophobicContact CG2-CD1 4.25Å; T893-L908 HydrophobicContact CG2-CD2 4.37Å
909	R	93.8	Very high	91.3	Very high	96 Å²	96	61.5 Å²	61.5	36%	0.362	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.1	-173.4	-64.5	171.3	58.7	-178.9	-5.1	112.7	E852 K891 I907	E852-R909 VanDerWaalsContact CD-NH2 3.28Å; E852-R909 IonicContact OE1-CZ 3.94Å; E852-R909 IonicContact OE1-NE 2.82Å; E852-R909 IonicContact OE1-NH2 3.6Å; E852-R909 PolarHBondContact OE1-NH2 3.46Å; E852-R909 IonicContact OE2-CZ 2.66Å; E852-R909 IonicContact OE2-NE 3.41Å; E852-R909 PolarHBondContact OE2-NE 2.79Å; E852-R909 IonicContact OE2-NH2 3.83Å; E852-R909 PolarHBondContact OE2-NH2 2.91Å; K891-R909 WeakPolarHBondContact CE-O 3.26Å; K891-R909 PolarHBondContact NZ-O 2.71Å; I907-R909 HydrophobicContact CG2-CG 3.97Å
910	Y	91.2	Very high	90.9	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.2	174.7	-69.9	-88.1	0	0	0	110.3	E852 L853 V855 T879 L881 K891 I912	E852-Y910 CarbonylContact C-O 3.55Å; E852-Y910 WeakPolarHBondContact CA-O 3.36Å; L853-Y910 PolarHBondContact N-O 3.34Å; L853-Y910 PolarHBondContact O-N 3.16Å; V855-Y910 HydrophobicContact CG2-CD2 4.21Å; V855-Y910 HydrophobicContact CG2-CE2 4.09Å; T879-Y910 WeakPolarHBondContact CB-OH 2.97Å; T879-Y910 PolarHBondContact O-OH 2.62Å; T879-Y910 PolarHBondContact OG1-OH 3.15Å; L881-Y910 HydrophobicContact CD1-CD1 3.65Å; L881-Y910 HydrophobicContact CD1-CD2 4.33Å; L881-Y910 HydrophobicContact CD1-CE1 4.23Å; L881-Y910 HydrophobicContact CD1-CG 3.7Å; L881-Y910 HydrophobicContact CG-CD1 4Å; L881-Y910 HydrophobicContact CG-CE1 4.06Å; L881-Y910 HydrophobicContact CG-CG 4.23Å; K891-Y910 HydrophobicContact CB-CE2 4.29Å; K891-Y910 HydrophobicContact CD-CE1 4.47Å; K891-Y910 HydrophobicContact CG-CD1 4.14Å; K891-Y910 HydrophobicContact CG-CD2 4.26Å; K891-Y910 HydrophobicContact CG-CE1 3.55Å; K891-Y910 HydrophobicContact CG-CE2 3.7Å; K891-Y910 HydrophobicContact CG-CG 4.45Å; K891-Y910 WeakPolarHBondContact CG-OH 3.04Å; K891-Y910 PolarHBondContact N-OH 3Å; K891-Y910 VanDerWaalsContact N-OH 3.15Å; Y910-I912 PolarHBondContact O-N 3.25Å
911	K	89.5	Confident	90.7	Very high	136 Å²	136	62.3 Å²	62.3	59%	0.591	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	111.1	168	-69.4	-163.3	169.9	-152.5	0	109	E852	E852-K911 HydrophobicContact CG-CB 4.43Å; E852-K911 HydrophobicContact CG-CG 3.75Å; E852-K911 WeakPolarHBondContact OE1-CE 3.22Å
912	I	87.4	Confident	90.4	Very high	30 Å²	30	58.3 Å²	58.3	15%	0.154	27%	0.273	C	S	.	.			trans	-164.8	136.7	-177.8	-178.3	163.6	0	0	0	108.2	Y846 K851 L853 L881 Y910 F916 L917 Q920	Y846-I912 WeakPolarHBondContact CE2-O 3.12Å; K851-I912 CarbonylContact C-O 3.56Å; K851-I912 CarbonylContact O-C 3.55Å; K851-I912 PolarHBondContact O-N 3.05Å; L853-I912 HydrophobicContact CB-CG2 4.05Å; L881-I912 HydrophobicContact CD1-CD1 4.12Å; L881-I912 HydrophobicContact CD1-CG2 4.13Å; Y910-I912 PolarHBondContact O-N 3.25Å; I912-F916 HydrophobicContact CD1-CB 4Å; I912-F916 HydrophobicContact CG1-CB 3.89Å; I912-L917 HydrophobicContact CD1-CD2 4.08Å; I912-L917 HydrophobicContact CG1-CD2 4.32Å; I912-L917 HydrophobicContact CG2-CD2 3.68Å; I912-L917 HydrophobicContact CG2-CG 4.28Å; I912-Q920 HydrophobicContact CD1-CG 4.06Å
913	E	87.1	Confident	90.2	Very high	56 Å²	56	58.3 Å²	58.3	26%	0.262	27%	0.272	S	S	.	.			trans	-80.8	149.5	-179.4	-49.8	-167.5	125.6	0	0	112.2	K851 Q915 F916 L917	K851-E913 HydrophobicContact CD-CG 4.2Å; K851-E913 WeakPolarHBondContact CD-OE1 3.28Å; K851-E913 WeakPolarHBondContact CE-OE1 3.42Å; K851-E913 IonicContact NZ-OE1 3.77Å; K851-E913 PolarHBondContact NZ-OE1 3.21Å; E913-Q915 HydrophobicContact CB-CG 4.02Å; E913-Q915 PolarHBondContact O-N 3.19Å; E913-Q915 PolarHBondContact OE2-NE2 2.92Å; E913-F916 HydrophobicContact CB-CD2 3.96Å; E913-F916 HydrophobicContact CB-CE2 4.37Å; E913-F916 HydrophobicContact CG-CD2 4.35Å; E913-F916 HydrophobicContact CG-CE2 4.43Å; E913-F916 PolarHBondContact O-N 3.49Å; E913-L917 PolarHBondContact O-N 2.69Å
914	R	86.6	Confident	90.1	Very high	85 Å²	85	54.8 Å²	54.8	32%	0.321	25%	0.251	S	S	.	.	H	α-helix	trans	-51.1	-35.7	-179.4	-158.4	-168	-77.6	-126.4	5.8	113.2	Y846 E848 F916 L917 D951	Y846-R914 HydrophobicContact CD1-CB 4.29Å; Y846-R914 HydrophobicContact CD1-CG 4.17Å; Y846-R914 HydrophobicContact CE1-CB 3.61Å; Y846-R914 HydrophobicContact CE1-CG 3.99Å; Y846-R914 PolarHBondContact OH-N 3Å; E848-R914 IonicContact OE2-CZ 3.88Å; E848-R914 IonicContact OE2-NE 3.24Å; E848-R914 PolarHBondContact OE2-NE 3.43Å; E848-R914 IonicContact OE2-NH2 2.66Å; E848-R914 PolarHBondContact OE2-NH2 3.03Å; R914-F916 VanDerWaalsContact C-N 3.29Å; R914-F916 PolarHBondContact O-N 3.16Å; R914-L917 PolarHBondContact O-N 2.97Å; R914-D951 IonicContact NH1-OD1 2.97Å
915	Q	85.1	Confident	89.9	Confident	128 Å²	128	53.8 Å²	53.8	60%	0.598	25%	0.247	S	C	*	.	H	α-helix	trans	-61.4	-33.7	177.3	59.2	175.5	-13.2	0	0	113.5	E913	E913-Q915 HydrophobicContact CB-CG 4.02Å; E913-Q915 PolarHBondContact O-N 3.19Å; E913-Q915 PolarHBondContact OE2-NE2 2.92Å
916	F	84.6	Confident	89.9	Confident	90 Å²	90	49.1 Å²	49.1	40%	0.395	22%	0.222	S	C	.	.	H	α-helix	trans	-84.5	-25.3	179.2	-62.3	-62.4	0	0	0	113	I912 E913 R914 K918 T919 Q920	I912-F916 HydrophobicContact CD1-CB 4Å; I912-F916 HydrophobicContact CG1-CB 3.89Å; E913-F916 HydrophobicContact CB-CD2 3.96Å; E913-F916 HydrophobicContact CB-CE2 4.37Å; E913-F916 HydrophobicContact CG-CD2 4.35Å; E913-F916 HydrophobicContact CG-CE2 4.43Å; E913-F916 PolarHBondContact O-N 3.49Å; R914-F916 VanDerWaalsContact C-N 3.29Å; R914-F916 PolarHBondContact O-N 3.16Å; F916-K918 PolarHBondContact O-N 2.75Å; F916-T919 PolarHBondContact O-N 3.43Å; F916-T919 PolarHBondContact O-OG1 3.32Å; F916-Q920 WeakPolarHBondContact O-CG 3.28Å
917	L	86	Confident	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.5	-36.4	177.2	-72	177.7	0	0	0	112.5	Y846 L853 I912 E913 R914 T919 Q920 L945 W950	Y846-L917 HydrophobicContact CD2-CD1 3.45Å; Y846-L917 VanDerWaalsContact CD2-CD1 3.45Å; Y846-L917 HydrophobicContact CE2-CD1 3.86Å; Y846-L917 HydrophobicContact CG-CD1 3.99Å; L853-L917 HydrophobicContact CB-CD2 4.2Å; L853-L917 HydrophobicContact CD2-CD2 3.94Å; I912-L917 HydrophobicContact CD1-CD2 4.08Å; I912-L917 HydrophobicContact CG1-CD2 4.32Å; I912-L917 HydrophobicContact CG2-CD2 3.68Å; I912-L917 HydrophobicContact CG2-CG 4.28Å; E913-L917 PolarHBondContact O-N 2.69Å; R914-L917 PolarHBondContact O-N 2.97Å; L917-T919 PolarHBondContact O-N 2.75Å; L917-Q920 PolarHBondContact O-N 3.48Å; L917-Q920 VanDerWaalsContact O-N 3.15Å; L917-L945 HydrophobicContact CD2-CD1 4.04Å; L917-L945 VanDerWaalsContact O-CB 3.28Å; L917-L945 WeakPolarHBondContact O-CB 3.15Å; L917-W950 HydrophobicContact CB-CZ2 4.27Å; L917-W950 HydrophobicContact CD1-CH2 3.97Å; L917-W950 HydrophobicContact CD1-CZ2 4Å; L917-W950 HydrophobicContact CD1-CZ3 4.45Å
918	K	82.7	Confident	89.6	Confident	129 Å²	129	46.4 Å²	46.4	56%	0.561	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-4.9	174.1	-63.6	-167.4	175.4	-165.2	0	115	F916 E946	F916-K918 PolarHBondContact O-N 2.75Å; K918-E946 WeakPolarHBondContact O-CB 3.35Å
919	T	83.2	Confident	89.5	Confident	71 Å²	71	51.7 Å²	51.7	44%	0.436	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	25	178.3	68.2	0	0	0	0	111.6	F916 L917	F916-T919 PolarHBondContact O-N 3.43Å; F916-T919 PolarHBondContact O-OG1 3.32Å; L917-T919 PolarHBondContact O-N 2.75Å
920	Q	86.7	Confident	89.1	Confident	9 Å²	9	48.3 Å²	48.3	4%	0.042	22%	0.215	C	C	.	.			trans	-138.4	155.8	-171.2	-62.2	-74.1	-83.2	0	0	112.3	L882 P883 I912 F916 L917 L945	L882-Q920 CarbonylContact O-C 3.5Å; L882-Q920 VanDerWaalsContact O-CA 3.23Å; L882-Q920 WeakPolarHBondContact O-CA 3.48Å; P883-Q920 VanDerWaalsContact CD-NE2 3.34Å; P883-Q920 PolarHBondContact O-NE2 2.73Å; P883-Q920 PolarHBondContact O-OE1 3.27Å; I912-Q920 HydrophobicContact CD1-CG 4.06Å; F916-Q920 WeakPolarHBondContact O-CG 3.28Å; L917-Q920 PolarHBondContact O-N 3.48Å; L917-Q920 VanDerWaalsContact O-N 3.15Å; Q920-L945 HydrophobicContact CB-CD1 4.25Å; Q920-L945 VanDerWaalsContact O-CB 3.23Å; Q920-L945 WeakPolarHBondContact O-CB 3.49Å; Q920-L945 PolarHBondContact O-N 3.3Å
921	K	89.8	Confident	88.8	Confident	86 Å²	86	52.6 Å²	52.6	37%	0.374	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.7	166.1	-53.6	-168.3	-175.8	-162.2	0	109.4	L881 L882 E942 L943 D944	L881-K921 WeakPolarHBondContact CA-O 3.45Å; L882-K921 PolarHBondContact N-O 2.73Å; L882-K921 PolarHBondContact O-N 2.99Å; K921-E942 HydrophobicContact CB-CG 4.33Å; K921-E942 WeakPolarHBondContact CD-OE1 3.31Å; K921-L943 CarbonylContact C-O 3.51Å; K921-L943 WeakPolarHBondContact CA-O 3.45Å; K921-D944 WeakPolarHBondContact CE-OD2 3.28Å; K921-D944 IonicContact NZ-OD2 2.65Å; K921-D944 PolarHBondContact NZ-OD2 2.86Å
922	L	91.6	Very high	88.3	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110	171.4	179.3	71.9	0	0	0	109.2	F842 L844 V855 T879 Y880 L881 E942 L943 L945	F842-L922 HydrophobicContact CE2-CD2 4.22Å; L844-L922 HydrophobicContact CD1-CD2 3.96Å; L844-L922 HydrophobicContact CD2-CD2 3.47Å; L844-L922 VanDerWaalsContact CD2-CD2 3.47Å; L844-L922 HydrophobicContact CG-CD2 4.35Å; V855-L922 HydrophobicContact CG1-CD2 4.23Å; V855-L922 HydrophobicContact CG2-CD1 4.07Å; V855-L922 HydrophobicContact CG2-CD2 4.16Å; T879-L922 HydrophobicContact CG2-CD1 4.42Å; Y880-L922 WeakPolarHBondContact O-CA 3.36Å; L881-L922 HydrophobicContact CD2-CB 4.38Å; L881-L922 HydrophobicContact CD2-CD1 3.9Å; L922-E942 WeakPolarHBondContact O-CA 3.13Å; L922-L943 PolarHBondContact N-O 2.99Å; L922-L943 PolarHBondContact O-N 2.98Å; L922-L945 HydrophobicContact CB-CD1 4.21Å; L922-L945 HydrophobicContact CB-CD2 4.1Å; L922-L945 HydrophobicContact CB-CG 4.29Å
923	N	92.1	Very high	87.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.4	166.6	178.4	-84	0	0	0	108.9	T879 Y880 L882 E940	T879-N923 CarbonylContact C-O 3.46Å; T879-N923 VanDerWaalsContact CA-O 3.3Å; T879-N923 WeakPolarHBondContact CA-O 3.27Å; Y880-N923 HydrophobicContact CD2-CB 4.28Å; Y880-N923 WeakPolarHBondContact CD2-OD1 3.2Å; Y880-N923 PolarHBondContact N-O 2.86Å; Y880-N923 PolarHBondContact O-N 3.46Å; L882-N923 HydrophobicContact CD1-CB 3.73Å; L882-N923 HydrophobicContact CG-CB 4.38Å; N923-E940 PolarHBondContact ND2-OE2 2.95Å
924	L	94.3	Very high	87.6	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.1	175.6	-175.1	154.9	0	0	0	108.6	V840 F842 V855 V857 V877 T879 E940 V941	V840-L924 HydrophobicContact CG1-CD2 3.89Å; V840-L924 HydrophobicContact CG2-CD2 4.05Å; F842-L924 HydrophobicContact CB-CD1 4.46Å; F842-L924 HydrophobicContact CD1-CD1 3.75Å; F842-L924 HydrophobicContact CD2-CD1 4.11Å; F842-L924 HydrophobicContact CE1-CD1 3.85Å; F842-L924 HydrophobicContact CE2-CD1 4.21Å; F842-L924 HydrophobicContact CG-CD1 3.88Å; F842-L924 HydrophobicContact CZ-CD1 4.07Å; V855-L924 HydrophobicContact CG1-CD1 4.35Å; V857-L924 HydrophobicContact CG2-CD1 4.34Å; V877-L924 HydrophobicContact CG1-CD1 4.13Å; V877-L924 HydrophobicContact CG1-CD2 3.6Å; V877-L924 HydrophobicContact CG1-CG 3.64Å; T879-L924 HydrophobicContact CG2-CB 3.94Å; T879-L924 HydrophobicContact CG2-CD1 3.73Å; T879-L924 HydrophobicContact CG2-CG 3.66Å; L924-E940 CarbonylContact O-C 3.5Å; L924-E940 VanDerWaalsContact O-CA 3.26Å; L924-E940 WeakPolarHBondContact O-CA 3.34Å; L924-E940 WeakPolarHBondContact O-CB 3.42Å; L924-V941 PolarHBondContact N-O 2.81Å; L924-V941 PolarHBondContact O-N 2.83Å
925	S	93.6	Very high	87.6	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.8	-176.2	50.8	0	0	0	0	111.8	K878 W927	K878-S925 PolarHBondContact N-O 3.26Å; K878-S925 PolarHBondContact O-N 3.46Å; K878-S925 PolarHBondContact O-OG 3.33Å; K878-S925 VanDerWaalsContact O-OG 3.12Å; S925-W927 VanDerWaalsContact CB-NE1 3.33Å; S925-W927 PolarHBondContact OG-NE1 3.21Å
926	V	95.1	Very high	87.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.5	179.5	-166.9	0	0	0	0	109	L863 P875 V877 L938 G939 L963	L863-V926 HydrophobicContact CD1-CG1 4Å; L863-V926 HydrophobicContact CD2-CG1 4.13Å; P875-V926 HydrophobicContact CB-CG1 4.49Å; V877-V926 HydrophobicContact CG2-CG2 4.26Å; V926-L938 HydrophobicContact CB-CB 4.22Å; V926-L938 HydrophobicContact CG1-CB 4.2Å; V926-L938 HydrophobicContact CG1-CD1 4.27Å; V926-L938 PolarHBondContact O-N 3.15Å; V926-G939 PolarHBondContact N-O 3.04Å; V926-L963 HydrophobicContact CB-CD1 4.31Å; V926-L963 HydrophobicContact CG2-CD1 3.94Å; V926-L963 HydrophobicContact CG2-CD2 3.7Å
927	W	93.6	Very high	87.9	Confident	25 Å²	25	56.7 Å²	56.7	10%	0.095	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.9	-170.5	-63	78.2	0	0	0	111.2	F831 P875 Y876 K878 S925 N935 S936 F937	F831-W927 HydrophobicContact CE1-CH2 4.06Å; P875-W927 CarbonylContact C-O 3.48Å; P875-W927 VanDerWaalsContact CA-O 3.28Å; P875-W927 WeakPolarHBondContact CA-O 3.46Å; Y876-W927 HydrophobicContact CD1-CB 4.14Å; Y876-W927 WeakPolarHBondContact CD1-O 3.35Å; Y876-W927 HydrophobicContact CD2-CB 4.36Å; Y876-W927 HydrophobicContact CE1-CB 3.55Å; Y876-W927 HydrophobicContact CE2-CB 3.78Å; Y876-W927 HydrophobicContact CE2-CG 4.05Å; Y876-W927 AromaticContact CZ-CG 3.85Å; Y876-W927 PolarHBondContact N-O 2.98Å; Y876-W927 PolarHBondContact O-N 2.85Å; Y876-W927 WeakPolarHBondContact OH-CB 3.49Å; K878-W927 HydrophobicContact CD-CZ2 4.15Å; K878-W927 VanDerWaalsContact CD-NE1 3.34Å; S925-W927 VanDerWaalsContact CB-NE1 3.33Å; S925-W927 PolarHBondContact OG-NE1 3.21Å; W927-N935 HydrophobicContact CE3-CB 4.3Å; W927-S936 CarbonylContact C-O 3.56Å; W927-S936 WeakPolarHBondContact CA-O 3.24Å; W927-F937 HydrophobicContact CD2-CD2 4.46Å; W927-F937 HydrophobicContact CE3-CB 4.31Å; W927-F937 HydrophobicContact CH2-CD2 4.29Å; W927-F937 HydrophobicContact CZ2-CD2 4.03Å; W927-F937 HydrophobicContact CZ3-CB 4.24Å
928	H	92.1	Very high	88.1	Confident	18 Å²	18	56.7 Å²	56.7	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.7	163.2	171	40.4	0	0	0	109.8	A866 D874 D930 N935 S936 L938	A866-H928 HydrophobicContact CB-CB 3.79Å; A866-H928 WeakPolarHBondContact CB-CD2 3.41Å; D874-H928 PolarHBondContact N-CE1 2.89Å; D874-H928 PolarHBondContact N-ND1 3.08Å; D874-H928 CarbonylContact O-C 3.55Å; D874-H928 WeakPolarHBondContact O-CA 3.41Å; D874-H928 PolarHBondContact O-ND1 3.44Å; H928-D930 PolarHBondContact O-N 2.93Å; H928-N935 CarbonylContact O-C 3.48Å; H928-N935 WeakPolarHBondContact O-CA 3.4Å; H928-N935 WeakPolarHBondContact O-CB 3.27Å; H928-S936 PolarHBondContact N-O 3.01Å; H928-S936 PolarHBondContact O-N 2.79Å; H928-L938 HydrophobicContact CB-CD1 4.09Å; H928-L938 HydrophobicContact CB-CD2 4.24Å; H928-L938 HydrophobicContact CB-CG 4.21Å
929	R	92.5	Very high	88.5	Confident	121 Å²	121	50.5 Å²	50.5	46%	0.457	23%	0.234	S	C	.	.			trans	-79.8	106.6	163.4	178	179.5	172.3	-174.1	-0.4	110.8	D874 Y876 V895 N935	D874-R929 PolarHBondContact O-N 3.22Å; Y876-R929 HydrophobicContact CD1-CB 4.09Å; Y876-R929 HydrophobicContact CE1-CB 4.02Å; V895-R929 HydrophobicContact CG1-CB 3.9Å; V895-R929 HydrophobicContact CG2-CB 4.4Å; R929-N935 WeakPolarHBondContact CA-OD1 3.24Å
930	D	86.6	Confident	89	Confident	24 Å²	24	48.2 Å²	48.2	13%	0.128	22%	0.218	C	C	.	.			trans	-78.2	159.2	160.5	-160.4	-53.7	0	0	0	108.6	H928 F932 K933 N935	H928-D930 PolarHBondContact O-N 2.93Å; D930-F932 PolarHBondContact OD1-N 3.12Å; D930-K933 HydrophobicContact CB-CB 4.04Å; D930-K933 PolarHBondContact OD1-N 3.23Å; D930-K933 WeakPolarHBondContact OD2-CB 3.3Å; D930-K933 VanDerWaalsContact OD2-CG 3.28Å; D930-K933 WeakPolarHBondContact OD2-CG 3.49Å; D930-K933 IonicContact OD2-NZ 2.64Å; D930-K933 PolarHBondContact OD2-NZ 2.86Å; D930-N935 PolarHBondContact N-OD1 2.95Å
931	T	85.3	Confident	89.3	Confident	93 Å²	93	48.2 Å²	48.2	57%	0.571	22%	0.219	S	C	*	.	S	Bend	trans	-102.4	-23	176.5	-61.7	0	0	0	0	112.2
932	F	78.7	Confident	89.4	Confident	193 Å²	193	48.5 Å²	48.5	85%	0.846	22%	0.222	S	C	*	.	S	Bend	trans	-125.8	-6.6	-175.3	-57	-73.5	0	0	0	113.6	D930	D930-F932 PolarHBondContact OD1-N 3.12Å
933	K	79.6	Confident	89.4	Confident	159 Å²	159	49.7 Å²	49.7	69%	0.691	23%	0.228	S	C	*	.	S	Bend	trans	-122.4	-176.6	175.1	-44.8	-169.3	-151.2	89.9	0	112	D930	D930-K933 HydrophobicContact CB-CB 4.04Å; D930-K933 PolarHBondContact OD1-N 3.23Å; D930-K933 WeakPolarHBondContact OD2-CB 3.3Å; D930-K933 VanDerWaalsContact OD2-CG 3.28Å; D930-K933 WeakPolarHBondContact OD2-CG 3.49Å; D930-K933 IonicContact OD2-NZ 2.64Å; D930-K933 PolarHBondContact OD2-NZ 2.86Å
934	R	79.5	Confident	89.3	Confident	158 Å²	158	51.9 Å²	51.9	60%	0.596	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-65.3	148.1	164.7	-63.7	-177.9	-173.5	159.7	8.4	109.6	D830 S936	D830-R934 WeakPolarHBondContact OD2-CD 3.01Å; D830-R934 IonicContact OD2-CZ 2.64Å; D830-R934 IonicContact OD2-NE 2.71Å; D830-R934 IonicContact OD2-NH1 2.59Å; D830-R934 PolarHBondContact OD2-NH1 2.75Å; R934-S936 PolarHBondContact O-N 2.75Å
935	N	86.6	Confident	89	Confident	60 Å²	60	51.9 Å²	51.9	32%	0.321	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-67.2	120.1	175.4	-73.9	3.4	0	0	0	110.5	Y876 W927 H928 R929 D930	Y876-N935 WeakPolarHBondContact CE1-ND2 3.18Å; Y876-N935 PolarHBondContact OH-ND2 2.86Å; W927-N935 HydrophobicContact CE3-CB 4.3Å; H928-N935 CarbonylContact O-C 3.48Å; H928-N935 WeakPolarHBondContact O-CA 3.4Å; H928-N935 WeakPolarHBondContact O-CB 3.27Å; R929-N935 WeakPolarHBondContact CA-OD1 3.24Å; D930-N935 PolarHBondContact N-OD1 2.95Å
936	S	86.4	Confident	88.6	Confident	30 Å²	30	58.2 Å²	58.2	21%	0.21	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-69.6	138.2	176.9	-49	0	0	0	0	111.1	W927 H928 R934	W927-S936 CarbonylContact C-O 3.56Å; W927-S936 WeakPolarHBondContact CA-O 3.24Å; H928-S936 PolarHBondContact N-O 3.01Å; H928-S936 PolarHBondContact O-N 2.79Å; R934-S936 PolarHBondContact O-N 2.75Å
937	F	89.1	Confident	88.1	Confident	11 Å²	11	64 Å²	64	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.8	169.5	176.8	-97.5	0	0	0	110.1	F831 V836 W927 G939 E940 K966	F831-F937 HydrophobicContact CB-CB 4.25Å; F831-F937 HydrophobicContact CB-CD1 4.47Å; F831-F937 HydrophobicContact CD1-CB 3.66Å; F831-F937 HydrophobicContact CD1-CD1 4.38Å; F831-F937 HydrophobicContact CD1-CD2 4.16Å; F831-F937 AromaticContact CD1-CG 3.85Å; F831-F937 HydrophobicContact CD1-CG 3.85Å; F831-F937 HydrophobicContact CE1-CD2 4.35Å; F831-F937 HydrophobicContact CE1-CG 4.48Å; F831-F937 HydrophobicContact CG-CB 4.34Å; F831-F937 HydrophobicContact CG-CG 4.42Å; V836-F937 HydrophobicContact CG2-CD1 4.15Å; V836-F937 HydrophobicContact CG2-CE1 4.04Å; W927-F937 HydrophobicContact CD2-CD2 4.46Å; W927-F937 HydrophobicContact CE3-CB 4.31Å; W927-F937 HydrophobicContact CH2-CD2 4.29Å; W927-F937 HydrophobicContact CZ2-CD2 4.03Å; W927-F937 HydrophobicContact CZ3-CB 4.24Å; F937-G939 VanDerWaalsContact CZ-CA 3.48Å; F937-E940 HydrophobicContact CE2-CB 3.95Å; F937-E940 HydrophobicContact CE2-CG 4.37Å; F937-E940 HydrophobicContact CZ-CB 3.75Å; F937-E940 HydrophobicContact CZ-CG 3.85Å; F937-K966 HydrophobicContact CD1-CB 4.44Å; F937-K966 HydrophobicContact CE1-CB 3.73Å; F937-K966 HydrophobicContact CE2-CD 4.45Å; F937-K966 HydrophobicContact CZ-CB 3.79Å; F937-K966 HydrophobicContact CZ-CD 4.33Å
938	L	90.4	Very high	87.6	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-6.1	-179.3	-61.8	179.7	0	0	0	113.3	V836 L863 A864 A866 P875 V926 H928	V836-L938 WeakPolarHBondContact CG1-O 3.49Å; L863-L938 HydrophobicContact CD1-CD1 4.31Å; A864-L938 HydrophobicContact CB-CD2 4.24Å; A866-L938 HydrophobicContact CB-CD2 4.32Å; P875-L938 HydrophobicContact CB-CD1 4.08Å; V926-L938 HydrophobicContact CB-CB 4.22Å; V926-L938 HydrophobicContact CG1-CB 4.2Å; V926-L938 HydrophobicContact CG1-CD1 4.27Å; V926-L938 PolarHBondContact O-N 3.15Å; H928-L938 HydrophobicContact CB-CD1 4.09Å; H928-L938 HydrophobicContact CB-CD2 4.24Å; H928-L938 HydrophobicContact CB-CG 4.21Å
939	G	91.7	Very high	87.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.5	165.5	178.2	0	0	0	0	0	113.3	V926 F937 K964	V926-G939 PolarHBondContact N-O 3.04Å; F937-G939 VanDerWaalsContact CZ-CA 3.48Å; G939-K964 WeakPolarHBondContact CA-O 3.37Å
940	E	93.3	Very high	86.6	Confident	22 Å²	22	62.5 Å²	62.5	10%	0.103	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	166.9	176.4	74.1	-172.9	170	0	0	114.5	N923 L924 F937 K964 K966	N923-E940 PolarHBondContact ND2-OE2 2.95Å; L924-E940 CarbonylContact O-C 3.5Å; L924-E940 VanDerWaalsContact O-CA 3.26Å; L924-E940 WeakPolarHBondContact O-CA 3.34Å; L924-E940 WeakPolarHBondContact O-CB 3.42Å; F937-E940 HydrophobicContact CE2-CB 3.95Å; F937-E940 HydrophobicContact CE2-CG 4.37Å; F937-E940 HydrophobicContact CZ-CB 3.75Å; F937-E940 HydrophobicContact CZ-CG 3.85Å; E940-K964 PolarHBondContact N-O 2.75Å; E940-K964 PolarHBondContact O-N 2.88Å; E940-K966 WeakPolarHBondContact OE1-CD 3.48Å; E940-K966 WeakPolarHBondContact OE1-CE 3.4Å; E940-K966 IonicContact OE1-NZ 3.66Å; E940-K966 PolarHBondContact OE1-NZ 3.05Å; E940-K966 IonicContact OE2-NZ 3.19Å; E940-K966 PolarHBondContact OE2-NZ 2.77Å
941	V	93.3	Very high	86.1	Confident	10 Å²	10	67.2 Å²	67.2	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.5	171.5	-175.2	0	0	0	0	106.7	V840 F842 L924 L943 Y961 L963	V840-V941 HydrophobicContact CG1-CG2 3.69Å; F842-V941 HydrophobicContact CE1-CB 4.49Å; F842-V941 HydrophobicContact CE1-CG1 4.33Å; F842-V941 HydrophobicContact CZ-CG1 4.29Å; L924-V941 PolarHBondContact N-O 2.81Å; L924-V941 PolarHBondContact O-N 2.83Å; V941-L943 HydrophobicContact CG1-CD2 4.33Å; V941-L943 HydrophobicContact CG1-CG 4.28Å; V941-Y961 HydrophobicContact CG1-CD1 3.95Å; V941-Y961 HydrophobicContact CG1-CG 4.04Å; V941-L963 HydrophobicContact CG2-CD2 4.01Å
942	E	92.4	Very high	85.7	Confident	92 Å²	92	64.3 Å²	64.3	43%	0.43	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.5	168.6	-170.8	163.6	117.3	0	0	109	K921 L922	K921-E942 HydrophobicContact CB-CG 4.33Å; K921-E942 WeakPolarHBondContact CD-OE1 3.31Å; L922-E942 WeakPolarHBondContact O-CA 3.13Å
943	L	90.6	Very high	85.5	Confident	25 Å²	25	63.7 Å²	63.7	13%	0.131	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.4	174.7	-64.1	179.2	0	0	0	109.3	F842 L844 K921 L922 V941 W948 Y961	F842-L943 HydrophobicContact CE2-CD1 3.62Å; F842-L943 HydrophobicContact CZ-CD1 3.54Å; F842-L943 HydrophobicContact CZ-CG 4.32Å; L844-L943 HydrophobicContact CD1-CD1 3.99Å; K921-L943 CarbonylContact C-O 3.51Å; K921-L943 WeakPolarHBondContact CA-O 3.45Å; L922-L943 PolarHBondContact N-O 2.99Å; L922-L943 PolarHBondContact O-N 2.98Å; V941-L943 HydrophobicContact CG1-CD2 4.33Å; V941-L943 HydrophobicContact CG1-CG 4.28Å; L943-W948 HydrophobicContact CD1-CE3 4.3Å; L943-W948 HydrophobicContact CD1-CH2 4.22Å; L943-W948 HydrophobicContact CD1-CZ3 3.72Å; L943-W948 HydrophobicContact CD2-CZ3 4.42Å; L943-Y961 HydrophobicContact CD1-CE1 4.28Å; L943-Y961 HydrophobicContact CD2-CD1 4.28Å; L943-Y961 HydrophobicContact CD2-CE1 3.81Å
944	D	90	Very high	85	Confident	47 Å²	47	61.9 Å²	61.9	25%	0.251	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.3	170.9	-155.1	-54.7	0	0	0	109.8	K921 E946	K921-D944 WeakPolarHBondContact CE-OD2 3.28Å; K921-D944 IonicContact NZ-OD2 2.65Å; K921-D944 PolarHBondContact NZ-OD2 2.86Å; D944-E946 WeakPolarHBondContact OD1-CB 3.28Å; D944-E946 PolarHBondContact OD1-N 2.74Å
945	L	89.2	Confident	84.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-97.7	-5	-177.8	-56.4	-177.1	0	0	0	112.7	L844 L853 L881 L917 Q920 L922 W950	L844-L945 HydrophobicContact CD1-CD2 4Å; L853-L945 HydrophobicContact CD2-CD1 4.17Å; L881-L945 HydrophobicContact CD2-CD1 3.76Å; L917-L945 HydrophobicContact CD2-CD1 4.04Å; L917-L945 VanDerWaalsContact O-CB 3.28Å; L917-L945 WeakPolarHBondContact O-CB 3.15Å; Q920-L945 HydrophobicContact CB-CD1 4.25Å; Q920-L945 VanDerWaalsContact O-CB 3.23Å; Q920-L945 WeakPolarHBondContact O-CB 3.49Å; Q920-L945 PolarHBondContact O-N 3.3Å; L922-L945 HydrophobicContact CB-CD1 4.21Å; L922-L945 HydrophobicContact CB-CD2 4.1Å; L922-L945 HydrophobicContact CB-CG 4.29Å; L945-W950 HydrophobicContact CB-CZ2 4.13Å; L945-W950 HydrophobicContact CD2-CH2 4.2Å; L945-W950 HydrophobicContact CD2-CZ2 4.19Å
946	E	85.7	Confident	84.3	Confident	135 Å²	135	56.4 Å²	56.4	63%	0.631	28%	0.283	S	S	*	.	S	Bend	trans	-71.5	-48.2	166.7	-171.2	178.5	177.3	0	0	111.1	K918 D944 W948	K918-E946 WeakPolarHBondContact O-CB 3.35Å; D944-E946 WeakPolarHBondContact OD1-CB 3.28Å; D944-E946 PolarHBondContact OD1-N 2.74Å; E946-W948 VanDerWaalsContact C-N 3.32Å
947	T	83.1	Confident	84.1	Confident	120 Å²	120	60 Å²	60	74%	0.736	30%	0.296	S	S	*	.	S	Bend	trans	-86	-1.2	-178.2	60.2	0	0	0	0	113.9	D949	T947-D949 PolarHBondContact O-N 2.87Å
948	W	84.4	Confident	84.2	Confident	28 Å²	28	61.2 Å²	61.2	11%	0.106	30%	0.303	C	S	.	.			trans	-74.1	116.2	178.6	-171.6	-93.5	0	0	0	111.4	L844 L943 E946 W950 N955 Y961	L844-W948 HydrophobicContact CB-CZ2 3.84Å; L844-W948 HydrophobicContact CD1-CD2 4.11Å; L844-W948 HydrophobicContact CD1-CE3 4.37Å; L844-W948 HydrophobicContact CD1-CH2 4.08Å; L844-W948 HydrophobicContact CD1-CZ2 3.79Å; L844-W948 HydrophobicContact CD1-CZ3 4.37Å; L844-W948 HydrophobicContact CG-CH2 4.39Å; L844-W948 HydrophobicContact CG-CZ2 3.97Å; L943-W948 HydrophobicContact CD1-CE3 4.3Å; L943-W948 HydrophobicContact CD1-CH2 4.22Å; L943-W948 HydrophobicContact CD1-CZ3 3.72Å; L943-W948 HydrophobicContact CD2-CZ3 4.42Å; E946-W948 VanDerWaalsContact C-N 3.32Å; W948-W950 HydrophobicContact CB-CZ2 4.25Å; W948-W950 AromaticContact CD1-CD2 3.61Å; W948-W950 AromaticContact CD1-CE2 3.62Å; W948-W950 AromaticContact CD1-CE3 3.75Å; W948-W950 AromaticContact CD1-CH2 3.89Å; W948-W950 AromaticContact CD1-CZ2 3.77Å; W948-W950 AromaticContact CD1-CZ3 3.89Å; W948-W950 HydrophobicContact CG-CZ2 4.26Å; W948-W950 PolarHBondContact O-N 3.03Å; W948-W950 VanDerWaalsContact O-N 3.16Å; W948-W950 PolarHBondContact O-NE1 2.72Å; W948-W950 VanDerWaalsContact O-NE1 3.17Å; W948-N955 HydrophobicContact CH2-CB 4.31Å; W948-N955 HydrophobicContact CZ2-CB 3.57Å; W948-N955 WeakPolarHBondContact CZ2-O 3.45Å; W948-Y961 WeakPolarHBondContact CH2-OH 3.05Å
949	D	82.1	Confident	84.2	Confident	84 Å²	84	64.2 Å²	64.2	45%	0.449	32%	0.316	S	S	.	.			trans	-71.5	106.8	171.8	178.8	-8.8	0	0	0	110	T947 D951 S952 N955	T947-D949 PolarHBondContact O-N 2.87Å; D949-D951 PolarHBondContact OD1-N 2.78Å; D949-S952 VanDerWaalsContact CG-CB 3.41Å; D949-S952 PolarHBondContact OD1-N 2.88Å; D949-S952 WeakPolarHBondContact OD2-CB 3.03Å; D949-N955 WeakPolarHBondContact O-CB 3.49Å; D949-N955 PolarHBondContact O-ND2 2.91Å
950	W	81.2	Confident	84.4	Confident	22 Å²	22	69.5 Å²	69.5	8%	0.083	34%	0.336	C	S	.	.	S	Bend	trans	-78.5	-17.8	-178.8	-64.3	94.5	0	0	0	114.1	L853 L917 L945 W948 K956	L853-W950 HydrophobicContact CD1-CH2 3.54Å; L853-W950 HydrophobicContact CD1-CZ3 3.57Å; L917-W950 HydrophobicContact CB-CZ2 4.27Å; L917-W950 HydrophobicContact CD1-CH2 3.97Å; L917-W950 HydrophobicContact CD1-CZ2 4Å; L917-W950 HydrophobicContact CD1-CZ3 4.45Å; L945-W950 HydrophobicContact CB-CZ2 4.13Å; L945-W950 HydrophobicContact CD2-CH2 4.2Å; L945-W950 HydrophobicContact CD2-CZ2 4.19Å; W948-W950 HydrophobicContact CB-CZ2 4.25Å; W948-W950 AromaticContact CD1-CD2 3.61Å; W948-W950 AromaticContact CD1-CE2 3.62Å; W948-W950 AromaticContact CD1-CE3 3.75Å; W948-W950 AromaticContact CD1-CH2 3.89Å; W948-W950 AromaticContact CD1-CZ2 3.77Å; W948-W950 AromaticContact CD1-CZ3 3.89Å; W948-W950 HydrophobicContact CG-CZ2 4.26Å; W948-W950 PolarHBondContact O-N 3.03Å; W948-W950 VanDerWaalsContact O-N 3.16Å; W948-W950 PolarHBondContact O-NE1 2.72Å; W948-W950 VanDerWaalsContact O-NE1 3.17Å; W950-K956 WeakPolarHBondContact O-CE 3.47Å; W950-K956 PolarHBondContact O-NZ 3.1Å
951	D	75.3	Confident	84.4	Confident	123 Å²	123	70.1 Å²	70.1	66%	0.658	34%	0.337	S	S	*	.	S	Bend	trans	-104.8	-20.4	-170.6	-58.9	-42.4	0	0	0	111.5	R914 D949 K953	R914-D951 IonicContact NH1-OD1 2.97Å; D949-D951 PolarHBondContact OD1-N 2.78Å; D951-K953 PolarHBondContact O-N 3.42Å
952	S	76.8	Confident	84.5	Confident	31 Å²	31	73.8 Å²	73.8	22%	0.217	36%	0.362	C	S	.	.			trans	-59.8	117.6	167.4	172.6	0	0	0	0	112.3	D949 Q954 N955	D949-S952 VanDerWaalsContact CG-CB 3.41Å; D949-S952 PolarHBondContact OD1-N 2.88Å; D949-S952 WeakPolarHBondContact OD2-CB 3.03Å; S952-Q954 PolarHBondContact O-N 3.32Å; S952-Q954 PolarHBondContact OG-N 3.38Å; S952-N955 PolarHBondContact O-N 3.04Å
953	K	74.4	Confident	84.6	Confident	180 Å²	180	70.2 Å²	70.2	78%	0.783	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.9	173.7	-65.9	178.3	179.5	175	0	113.3	D951	D951-K953 PolarHBondContact O-N 3.42Å
954	Q	70.7	Confident	84.7	Confident	122 Å²	122	75.8 Å²	75.8	57%	0.57	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-30.2	177.9	-61.7	-175.8	2.8	0	0	112.8	S952 K956 Q957 K959	S952-Q954 PolarHBondContact O-N 3.32Å; S952-Q954 PolarHBondContact OG-N 3.38Å; Q954-K956 VanDerWaalsContact C-N 3.33Å; Q954-Q957 WeakPolarHBondContact O-CB 2.95Å; Q954-Q957 PolarHBondContact O-N 3.12Å; Q954-K959 WeakPolarHBondContact O-CE 3.13Å
955	N	71.6	Confident	84.3	Confident	22 Å²	22	80.1 Å²	80.1	12%	0.118	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-21.6	-178	-77.4	-6.2	0	0	0	112.8	W948 D949 S952 Q957 K959	W948-N955 HydrophobicContact CH2-CB 4.31Å; W948-N955 HydrophobicContact CZ2-CB 3.57Å; W948-N955 WeakPolarHBondContact CZ2-O 3.45Å; D949-N955 WeakPolarHBondContact O-CB 3.49Å; D949-N955 PolarHBondContact O-ND2 2.91Å; S952-N955 PolarHBondContact O-N 3.04Å; N955-Q957 VanDerWaalsContact C-N 3.28Å; N955-K959 PolarHBondContact OD1-NZ 3.15Å
956	K	77.9	Confident	83.4	Confident	81 Å²	81	82 Å²	82	35%	0.352	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.5	169.5	-61.9	173.5	-173.1	-84.3	0	113.3	D845 W950 Q954	D845-K956 IonicContact OD1-NZ 2.86Å; D845-K956 PolarHBondContact OD1-NZ 2.79Å; W950-K956 WeakPolarHBondContact O-CE 3.47Å; W950-K956 PolarHBondContact O-NZ 3.1Å; Q954-K956 VanDerWaalsContact C-N 3.33Å
957	Q	82.7	Confident	81.7	Confident	104 Å²	104	80.7 Å²	80.7	49%	0.486	39%	0.391	S	S	.	.	S	Bend	trans	-89.2	157.2	176.7	-69.6	173.3	-16	0	0	111.8	Q954 N955 K959	Q954-Q957 WeakPolarHBondContact O-CB 2.95Å; Q954-Q957 PolarHBondContact O-N 3.12Å; N955-Q957 VanDerWaalsContact C-N 3.28Å; Q957-K959 PolarHBondContact O-N 3.35Å; Q957-K959 VanDerWaalsContact O-N 3.08Å
958	L	91.1	Very high	80	Confident	37 Å²	37	77.9 Å²	77.9	19%	0.194	38%	0.38	C	S	.	.			trans	-67.3	102.5	177	-78.8	175.7	0	0	0	111.9	Q841 A843 F856 A858	Q841-L958 HydrophobicContact CG-CB 4.07Å; Q841-L958 HydrophobicContact CG-CD2 4.43Å; A843-L958 HydrophobicContact CB-CD2 4.06Å; F856-L958 HydrophobicContact CD1-CD2 3.69Å; F856-L958 HydrophobicContact CD1-CG 4.4Å; F856-L958 HydrophobicContact CE1-CD1 4.15Å; F856-L958 HydrophobicContact CE1-CD2 3.83Å; F856-L958 HydrophobicContact CE1-CG 4.28Å; A858-L958 HydrophobicContact CB-CD1 4.06Å; A858-L958 HydrophobicContact CB-CD2 3.69Å
959	K	91.5	Very high	77.9	Confident	63 Å²	63	82 Å²	82	27%	0.274	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.9	176.8	-75.4	178.4	171.4	179	0	111.4	Q841 F842 Q954 N955 Q957 Y961	Q841-K959 WeakPolarHBondContact CA-O 3.48Å; F842-K959 PolarHBondContact N-O 3.11Å; F842-K959 VanDerWaalsContact N-O 3.07Å; F842-K959 PolarHBondContact O-N 3.03Å; Q954-K959 WeakPolarHBondContact O-CE 3.13Å; N955-K959 PolarHBondContact OD1-NZ 3.15Å; Q957-K959 PolarHBondContact O-N 3.35Å; Q957-K959 VanDerWaalsContact O-N 3.08Å; K959-Y961 HydrophobicContact CB-CD2 4.37Å; K959-Y961 HydrophobicContact CB-CE2 3.51Å; K959-Y961 WeakPolarHBondContact O-CD2 3.3Å
960	W	94.9	Very high	75.6	Confident	111 Å²	111	83.2 Å²	83.2	42%	0.42	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.3	171.9	-76.4	101.6	0	0	0	110.5	Q841 Q859 K861	Q841-W960 HydrophobicContact CB-CD2 3.72Å; Q841-W960 HydrophobicContact CB-CE3 3.7Å; Q841-W960 HydrophobicContact CB-CG 4.4Å; Q841-W960 HydrophobicContact CB-CH2 3.92Å; Q841-W960 HydrophobicContact CB-CZ2 3.95Å; Q841-W960 HydrophobicContact CB-CZ3 3.8Å; Q841-W960 HydrophobicContact CG-CD2 3.88Å; Q841-W960 HydrophobicContact CG-CE3 4.37Å; Q841-W960 HydrophobicContact CG-CG 4.13Å; Q841-W960 HydrophobicContact CG-CZ2 4.24Å; Q859-W960 HydrophobicContact CG-CH2 3.83Å; Q859-W960 HydrophobicContact CG-CZ2 4.24Å; K861-W960 HydrophobicContact CB-CH2 3.7Å; K861-W960 HydrophobicContact CB-CZ3 3.7Å
961	Y	94.6	Very high	73.3	Confident	35 Å²	35	86.6 Å²	86.6	14%	0.137	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.7	177.4	-64.4	-90.3	0	0	0	109.7	S839 V840 F842 V941 L943 W948 K959	S839-Y961 CarbonylContact C-O 3.37Å; S839-Y961 VanDerWaalsContact CA-O 3.27Å; S839-Y961 WeakPolarHBondContact CA-O 3.41Å; S839-Y961 WeakPolarHBondContact CB-O 3.47Å; V840-Y961 PolarHBondContact N-O 2.9Å; V840-Y961 PolarHBondContact O-N 3.37Å; F842-Y961 AromaticContact CD1-CD2 3.6Å; F842-Y961 HydrophobicContact CD1-CD2 3.6Å; F842-Y961 HydrophobicContact CD1-CE2 4.05Å; F842-Y961 HydrophobicContact CD1-CG 4.48Å; F842-Y961 HydrophobicContact CD2-CE2 4.49Å; F842-Y961 AromaticContact CE1-CD2 3.19Å; F842-Y961 HydrophobicContact CE1-CD2 3.19Å; F842-Y961 AromaticContact CE1-CE2 3.7Å; F842-Y961 HydrophobicContact CE1-CE2 3.7Å; F842-Y961 AromaticContact CE1-CG 3.72Å; F842-Y961 HydrophobicContact CE1-CG 3.72Å; F842-Y961 HydrophobicContact CE2-CD2 4.47Å; F842-Y961 HydrophobicContact CE2-CE2 4.16Å; F842-Y961 HydrophobicContact CG-CD2 4.41Å; F842-Y961 HydrophobicContact CG-CE2 4.44Å; F842-Y961 AromaticContact CZ-CD2 3.7Å; F842-Y961 HydrophobicContact CZ-CD2 3.7Å; F842-Y961 AromaticContact CZ-CE2 3.77Å; F842-Y961 HydrophobicContact CZ-CE2 3.77Å; F842-Y961 HydrophobicContact CZ-CG 4.17Å; V941-Y961 HydrophobicContact CG1-CD1 3.95Å; V941-Y961 HydrophobicContact CG1-CG 4.04Å; L943-Y961 HydrophobicContact CD1-CE1 4.28Å; L943-Y961 HydrophobicContact CD2-CD1 4.28Å; L943-Y961 HydrophobicContact CD2-CE1 3.81Å; W948-Y961 WeakPolarHBondContact CH2-OH 3.05Å; K959-Y961 HydrophobicContact CB-CD2 4.37Å; K959-Y961 HydrophobicContact CB-CE2 3.51Å; K959-Y961 WeakPolarHBondContact O-CD2 3.3Å
962	P	95.5	Very high	71.5	Confident	88 Å²	88	88 Å²	88	57%	0.571	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.5	175.4	29.3	-33.9	0	0	0	110.1
963	L	94.5	Very high	69.7	Low	16 Å²	16	93.3 Å²	93.3	8%	0.084	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-75.9	128.2	179.1	-65.2	179.6	0	0	0	110.9	V836 G838 V840 L863 V926 V941	V836-L963 HydrophobicContact CG1-CB 3.95Å; G838-L963 WeakPolarHBondContact O-CB 3.44Å; G838-L963 PolarHBondContact O-N 3.33Å; V840-L963 HydrophobicContact CB-CD2 4.14Å; V840-L963 HydrophobicContact CG1-CD2 3.65Å; L863-L963 HydrophobicContact CD2-CD1 3.33Å; V926-L963 HydrophobicContact CB-CD1 4.31Å; V926-L963 HydrophobicContact CG2-CD1 3.94Å; V926-L963 HydrophobicContact CG2-CD2 3.7Å; V941-L963 HydrophobicContact CG2-CD2 4.01Å
964	K	90.7	Very high	68.3	Low	143 Å²	143	90.1 Å²	90.1	62%	0.622	48%	0.477	S	S	*	.	B	Isolated β-bridge	trans	-94.7	148.1	177.7	-63.1	-179.3	-179.9	178.4	0	110.9	G939 E940	G939-K964 WeakPolarHBondContact CA-O 3.37Å; E940-K964 PolarHBondContact N-O 2.75Å; E940-K964 PolarHBondContact O-N 2.88Å
965	R	83.3	Confident	67.6	Low	138 Å²	138	88.9 Å²	88.9	52%	0.521	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-62.6	146.9	163.6	-75.3	-176.7	-165.8	178.1	8.7	109.3	E835 V836 T967	E835-R965 VanDerWaalsContact CG-NH2 3.28Å; E835-R965 IonicContact OE1-CZ 2.72Å; E835-R965 IonicContact OE1-NH2 2.64Å; E835-R965 PolarHBondContact OE1-NH2 2.9Å; V836-R965 HydrophobicContact CB-CG 3.68Å; V836-R965 HydrophobicContact CG1-CG 4.5Å; V836-R965 HydrophobicContact CG2-CG 3.93Å; R965-T967 PolarHBondContact O-N 2.9Å; R965-T967 VanDerWaalsContact O-N 3.14Å
966	K	68.9	Low	67.2	Low	40 Å²	40	94 Å²	94	17%	0.174	50%	0.498	C	S	.	.			trans	-79	94.2	168.9	-166.8	128.9	-155.7	149.5	0	109.3	V826 F831 F937 E940 A968	V826-K966 VanDerWaalsContact CG1-NZ 3.28Å; V826-K966 WeakPolarHBondContact O-CE 3.17Å; V826-K966 PolarHBondContact O-NZ 3.37Å; F831-K966 HydrophobicContact CD2-CB 3.81Å; F831-K966 HydrophobicContact CD2-CD 4.32Å; F831-K966 HydrophobicContact CD2-CG 3.84Å; F831-K966 HydrophobicContact CE1-CD 4.22Å; F831-K966 HydrophobicContact CE2-CB 3.93Å; F831-K966 HydrophobicContact CE2-CD 3.59Å; F831-K966 HydrophobicContact CE2-CG 3.43Å; F831-K966 VanDerWaalsContact CE2-CG 3.43Å; F831-K966 HydrophobicContact CG-CB 4.3Å; F831-K966 HydrophobicContact CZ-CB 4.5Å; F831-K966 HydrophobicContact CZ-CD 3.53Å; F831-K966 HydrophobicContact CZ-CG 3.95Å; F937-K966 HydrophobicContact CD1-CB 4.44Å; F937-K966 HydrophobicContact CE1-CB 3.73Å; F937-K966 HydrophobicContact CE2-CD 4.45Å; F937-K966 HydrophobicContact CZ-CB 3.79Å; F937-K966 HydrophobicContact CZ-CD 4.33Å; E940-K966 WeakPolarHBondContact OE1-CD 3.48Å; E940-K966 WeakPolarHBondContact OE1-CE 3.4Å; E940-K966 IonicContact OE1-NZ 3.66Å; E940-K966 PolarHBondContact OE1-NZ 3.05Å; E940-K966 IonicContact OE2-NZ 3.19Å; E940-K966 PolarHBondContact OE2-NZ 2.77Å; K966-A968 PolarHBondContact O-N 3.26Å
967	T	51.1	Low	67.4	Low	107 Å²	107	90.9 Å²	90.9	66%	0.656	48%	0.484	S	S	*	.			trans	-64.5	115.9	168.1	-52.2	0	0	0	0	107.7	R965 V970	R965-T967 PolarHBondContact O-N 2.9Å; R965-T967 VanDerWaalsContact O-N 3.14Å; T967-V970 HydrophobicContact CG2-CG2 4Å
968	A	46.8	Very low	67.8	Low	61 Å²	61	86.4 Å²	86.4	50%	0.504	47%	0.466	S	S	.	.			trans	-58.6	141.4	167.8	0	0	0	0	0	108.5	K966 V970	K966-A968 PolarHBondContact O-N 3.26Å; A968-V970 PolarHBondContact O-N 2.62Å
969	P	41	Very low	68	Low	114 Å²	114	89 Å²	89	74%	0.74	48%	0.477	S	S	*	.			trans	-56.2	102.6	-168	-28.6	36.4	0	0	0	113.8	A971	P969-A971 VanDerWaalsContact C-N 3.3Å; P969-A971 PolarHBondContact O-N 3.39Å
970	V	32.3	Very low	68.3	Low	110 Å²	110	86 Å²	86	67%	0.667	46%	0.464	S	S	*	.			trans	-78.6	85	173.1	178.3	0	0	0	0	107.6	T967 A968 L972	T967-V970 HydrophobicContact CG2-CG2 4Å; A968-V970 PolarHBondContact O-N 2.62Å; V970-L972 PolarHBondContact O-N 3.39Å
971	A	33.2	Very low	68.4	Low	93 Å²	93	83.4 Å²	83.4	77%	0.769	46%	0.456	S	S	*	.	S	Bend	trans	43.7	36.1	169	0	0	0	0	0	115.7	P969 E973	P969-A971 VanDerWaalsContact C-N 3.3Å; P969-A971 PolarHBondContact O-N 3.39Å; A971-E973 PolarHBondContact O-N 3.16Å
972	L	38.4	Very low	68.6	Low	151 Å²	151	81.8 Å²	81.8	79%	0.791	45%	0.449	S	S	*	.			trans	-98.5	82	-173.4	-137.9	171	0	0	0	110.2	V970	V970-L972 PolarHBondContact O-N 3.39Å
973	E	37.8	Very low	68.7	Low	143 Å²	143	77.6 Å²	77.6	67%	0.668	42%	0.423	S	S	*	.			trans	36.4	119.6	152	-59.8	-54.7	142	0	0	120	A971 E975	A971-E973 PolarHBondContact O-N 3.16Å; E973-E975 PolarHBondContact O-N 2.93Å
974	T	46.6	Very low	68.9	Low	113 Å²	113	76.9 Å²	76.9	69%	0.693	42%	0.419	S	S	*	.			trans	48.6	48.2	147.9	45.5	0	0	0	0	118.6	N976	T974-N976 WeakPolarHBondContact CB-OD1 3.2Å; T974-N976 PolarHBondContact O-N 3.45Å; T974-N976 PolarHBondContact O-OD1 3.17Å
975	E	54.6	Low	69.2	Low	96 Å²	96	71.4 Å²	71.4	45%	0.449	40%	0.396	S	S	.	.			trans	-69.5	90.4	144.4	-156.2	-170.6	-113.4	0	0	107.4	Y827 E973 R977	Y827-E975 PolarHBondContact OH-OE1 2.83Å; E973-E975 PolarHBondContact O-N 2.93Å; E975-R977 VanDerWaalsContact O-CG 3.24Å; E975-R977 WeakPolarHBondContact O-CG 3.43Å; E975-R977 PolarHBondContact O-N 3.04Å; E975-R977 IonicContact OE2-CZ 3.32Å; E975-R977 VanDerWaalsContact OE2-CZ 3.22Å; E975-R977 IonicContact OE2-NE 3.65Å; E975-R977 PolarHBondContact OE2-NE 3.49Å; E975-R977 IonicContact OE2-NH2 3.55Å; E975-R977 PolarHBondContact OE2-NH2 3.2Å
976	N	64.2	Low	69.7	Low	129 Å²	129	65.6 Å²	65.6	69%	0.69	37%	0.374	S	S	*	.			trans	-62	106.8	-172.1	-77.3	4.4	0	0	0	111.9	T974	T974-N976 WeakPolarHBondContact CB-OD1 3.2Å; T974-N976 PolarHBondContact O-N 3.45Å; T974-N976 PolarHBondContact O-OD1 3.17Å
977	R	82.2	Confident	71	Confident	16 Å²	16	65.2 Å²	65.2	6%	0.06	37%	0.374	C	S	.	.			trans	-98.2	7.1	-177.5	-70.5	-90	160.3	-168.1	-4.9	113	E975 P1013 L1085 L1132	E975-R977 VanDerWaalsContact O-CG 3.24Å; E975-R977 WeakPolarHBondContact O-CG 3.43Å; E975-R977 PolarHBondContact O-N 3.04Å; E975-R977 IonicContact OE2-CZ 3.32Å; E975-R977 VanDerWaalsContact OE2-CZ 3.22Å; E975-R977 IonicContact OE2-NE 3.65Å; E975-R977 PolarHBondContact OE2-NE 3.49Å; E975-R977 IonicContact OE2-NH2 3.55Å; E975-R977 PolarHBondContact OE2-NH2 3.2Å; R977-P1013 WeakPolarHBondContact O-CD 3.38Å; R977-L1085 WeakPolarHBondContact CD-O 3.38Å; R977-L1085 PolarHBondContact NH1-O 3.05Å; R977-L1132 HydrophobicContact CB-CB 3.89Å; R977-L1132 VanDerWaalsContact CB-O 3.27Å; R977-L1132 WeakPolarHBondContact CB-O 3.48Å; R977-L1132 WeakPolarHBondContact O-CD1 3.28Å
978	G	90.2	Very high	72.8	Confident	10 Å²	10	62.1 Å²	62.1	10%	0.103	36%	0.357	C	S	.	.			trans	81.3	177.9	-165.8	0	0	0	0	0	112.5	L1010 D1011 L1132	G978-L1010 CarbonylContact C-O 3.52Å; G978-L1010 WeakPolarHBondContact CA-O 3.11Å; G978-D1011 VanDerWaalsContact CA-O 3.3Å; G978-D1011 WeakPolarHBondContact CA-O 3.15Å; G978-D1011 PolarHBondContact N-O 3Å; G978-L1132 VanDerWaalsContact O-CB 3.28Å; G978-L1132 WeakPolarHBondContact O-CB 3.39Å; G978-L1132 WeakPolarHBondContact O-CG 3.49Å; G978-L1132 PolarHBondContact O-N 2.76Å
979	E	95.7	Very high	74.3	Confident	91 Å²	91	62.6 Å²	62.6	43%	0.425	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	159.7	177.3	-61.6	175	-176.8	0	0	110	C1009 L1010 T1129 L1130	E979-C1009 CarbonylContact O-C 3.51Å; E979-C1009 WeakPolarHBondContact O-CA 3.13Å; E979-C1009 VanDerWaalsContact O-CB 3.31Å; E979-C1009 WeakPolarHBondContact O-CB 3.46Å; E979-L1010 HydrophobicContact CB-CB 4.36Å; E979-L1010 PolarHBondContact N-O 3.07Å; E979-L1010 PolarHBondContact O-N 2.91Å; E979-T1129 HydrophobicContact CB-CG2 3.74Å; E979-T1129 HydrophobicContact CG-CG2 4.38Å; E979-T1129 WeakPolarHBondContact OE2-CG2 3.45Å; E979-L1130 WeakPolarHBondContact CA-O 3.44Å
980	M	97.2	Very high	75.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.8	168	179.3	-176.5	-63.8	0	0	110.1	L982 V1006 V1024 L1072 V1074 L1088 T1129 L1130 L1132	M980-L982 HydrophobicContact CG-CD2 3.92Å; M980-L982 HydrophobicContact SD-CD2 3.93Å; M980-V1006 HydrophobicContact SD-CG1 4.2Å; M980-V1024 HydrophobicContact CE-CB 4.44Å; M980-V1024 HydrophobicContact CE-CG1 3.75Å; M980-V1024 HydrophobicContact CE-CG2 3.75Å; M980-L1072 HydrophobicContact SD-CB 4.43Å; M980-L1072 HydrophobicContact SD-CD1 4.09Å; M980-V1074 HydrophobicContact CE-CG2 3.4Å; M980-L1088 HydrophobicContact CB-CD1 4.08Å; M980-L1088 HydrophobicContact SD-CD1 4.21Å; M980-T1129 WeakPolarHBondContact O-CA 3.36Å; M980-L1130 PolarHBondContact N-O 2.86Å; M980-L1130 PolarHBondContact O-N 3.01Å; M980-L1132 HydrophobicContact CB-CD2 3.98Å; M980-L1132 HydrophobicContact CB-CG 4.43Å; M980-L1132 HydrophobicContact CE-CD2 4.25Å
981	K	98	Very high	76.6	Confident	58 Å²	58	61 Å²	61	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.4	173.9	179.2	172.3	157.9	-157.7	0	109.4	K1007 E1008 E1127 A1128 T1129	K981-K1007 HydrophobicContact CG-CD 4.5Å; K981-K1007 WeakPolarHBondContact O-CB 3.38Å; K981-K1007 PolarHBondContact O-N 2.8Å; K981-E1008 HydrophobicContact CB-CG 3.97Å; K981-E1008 HydrophobicContact CD-CG 4.19Å; K981-E1008 WeakPolarHBondContact CD-OE1 3.13Å; K981-E1008 WeakPolarHBondContact CE-OE1 3.46Å; K981-E1008 PolarHBondContact N-O 2.81Å; K981-E1008 IonicContact NZ-OE1 3.03Å; K981-E1008 PolarHBondContact NZ-OE1 3.1Å; K981-E1008 PolarHBondContact O-N 3.38Å; K981-E1127 WeakPolarHBondContact CE-OE1 3.15Å; K981-A1128 WeakPolarHBondContact CA-O 3.48Å; K981-T1129 HydrophobicContact CB-CG2 4.34Å
982	L	98.2	Very high	77.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.8	-175.5	67.7	124.8	0	0	0	111.3	M980 L984 W1005 L1072 L1088 I1090 L1114 E1127 A1128 L1130	M980-L982 HydrophobicContact CG-CD2 3.92Å; M980-L982 HydrophobicContact SD-CD2 3.93Å; L982-L984 HydrophobicContact CD1-CD2 3.7Å; L982-L984 HydrophobicContact CD1-CG 4Å; L982-W1005 CarbonylContact C-O 3.59Å; L982-W1005 VanDerWaalsContact CA-O 3.22Å; L982-W1005 WeakPolarHBondContact CA-O 3.37Å; L982-W1005 WeakPolarHBondContact CB-O 3.49Å; L982-L1072 HydrophobicContact CD1-CD1 4.22Å; L982-L1072 HydrophobicContact CD2-CD1 4.35Å; L982-L1088 HydrophobicContact CD2-CD1 3.63Å; L982-I1090 HydrophobicContact CD1-CD1 3.72Å; L982-I1090 HydrophobicContact CD2-CD1 4.07Å; L982-L1114 HydrophobicContact CD1-CD2 3.95Å; L982-L1114 HydrophobicContact CG-CD2 4.32Å; L982-E1127 WeakPolarHBondContact O-CA 3.43Å; L982-A1128 PolarHBondContact N-O 2.99Å; L982-A1128 PolarHBondContact O-N 2.77Å; L982-A1128 VanDerWaalsContact O-O 3.12Å; L982-L1130 HydrophobicContact CD2-CD1 4.43Å
983	A	98	Very high	78.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148	168.1	0	0	0	0	0	110.9	W1005 W1125 V1126 E1127	A983-W1005 HydrophobicContact CB-CB 4.45Å; A983-W1005 HydrophobicContact CB-CE3 4.16Å; A983-W1005 PolarHBondContact N-O 3.43Å; A983-W1005 PolarHBondContact O-N 3.37Å; A983-W1125 HydrophobicContact CB-CE3 3.63Å; A983-W1125 HydrophobicContact CB-CZ3 4.19Å; A983-W1125 WeakPolarHBondContact O-CZ3 3.18Å; A983-V1126 CarbonylContact C-O 3.44Å; A983-V1126 WeakPolarHBondContact CA-O 3.32Å; A983-V1126 WeakPolarHBondContact CB-O 3.37Å; A983-E1127 HydrophobicContact CB-CB 4.1Å
984	L	97.9	Very high	78.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.1	174.4	-58.3	-175	0	0	0	110.2	L982 H1003 I1004 I1090 L1114 W1115 M1118 W1125 V1126	L982-L984 HydrophobicContact CD1-CD2 3.7Å; L982-L984 HydrophobicContact CD1-CG 4Å; L984-H1003 WeakPolarHBondContact CA-O 3.47Å; L984-I1004 HydrophobicContact CD2-CB 4.17Å; L984-I1004 HydrophobicContact CD2-CG1 3.98Å; L984-I1004 HydrophobicContact CD2-CG2 3.86Å; L984-I1090 HydrophobicContact CD1-CG2 3.98Å; L984-L1114 HydrophobicContact CD1-CD2 4.11Å; L984-L1114 HydrophobicContact CD1-CG 4.03Å; L984-L1114 HydrophobicContact CG-CD2 4.23Å; L984-L1114 HydrophobicContact CG-CG 4.37Å; L984-W1115 HydrophobicContact CD1-CE3 3.87Å; L984-W1115 HydrophobicContact CD1-CZ3 4.19Å; L984-M1118 HydrophobicContact CB-CB 4.22Å; L984-M1118 HydrophobicContact CB-CG 3.95Å; L984-M1118 HydrophobicContact CB-SD 3.73Å; L984-M1118 HydrophobicContact CD1-SD 4.12Å; L984-W1125 WeakPolarHBondContact O-CA 3.44Å; L984-V1126 HydrophobicContact CB-CG2 4.17Å; L984-V1126 PolarHBondContact N-O 2.95Å; L984-V1126 WeakPolarHBondContact O-CG2 3.35Å; L984-V1126 PolarHBondContact O-N 3.45Å
985	Q	96.9	Very high	78.9	Confident	29 Å²	29	65.4 Å²	65.4	14%	0.136	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	127.1	170.3	176.9	-171.8	41.5	0	0	108.3	V987 H1003 N1123 W1125	Q985-V987 HydrophobicContact CG-CG2 4.04Å; Q985-H1003 HydrophobicContact CB-CB 4.22Å; Q985-H1003 PolarHBondContact N-O 3Å; Q985-H1003 PolarHBondContact O-N 2.84Å; Q985-N1123 PolarHBondContact NE2-O 3.3Å; Q985-W1125 HydrophobicContact CB-CD2 3.68Å; Q985-W1125 HydrophobicContact CB-CE3 3.72Å; Q985-W1125 HydrophobicContact CB-CG 4.16Å; Q985-W1125 HydrophobicContact CB-CH2 4.31Å; Q985-W1125 HydrophobicContact CB-CZ2 4.24Å; Q985-W1125 HydrophobicContact CB-CZ3 4.04Å; Q985-W1125 HydrophobicContact CG-CD2 4.49Å; Q985-W1125 VanDerWaalsContact OE1-CE2 3.24Å; Q985-W1125 VanDerWaalsContact OE1-NE1 3.16Å
986	Y	95.6	Very high	78.8	Confident	15 Å²	15	64 Å²	64	6%	0.059	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.1	165.2	174.9	-122.9	0	0	0	108.8	P988 E1001 V1002 F1060 L1065 P1122 N1123	Y986-P988 HydrophobicContact CD1-CG 4.03Å; Y986-P988 HydrophobicContact CE1-CB 4.1Å; Y986-P988 HydrophobicContact CE1-CG 3.72Å; Y986-E1001 VanDerWaalsContact CD2-O 3.3Å; Y986-E1001 WeakPolarHBondContact CD2-O 3.45Å; Y986-V1002 HydrophobicContact CD2-CG2 3.96Å; Y986-F1060 HydrophobicContact CE2-CB 4.37Å; Y986-L1065 HydrophobicContact CD1-CD1 3.71Å; Y986-L1065 HydrophobicContact CD2-CD1 3.98Å; Y986-L1065 HydrophobicContact CD2-CD2 4.1Å; Y986-L1065 HydrophobicContact CE1-CD1 3.63Å; Y986-L1065 HydrophobicContact CE2-CD1 3.92Å; Y986-L1065 HydrophobicContact CE2-CD2 4.28Å; Y986-L1065 HydrophobicContact CE2-CG 4.47Å; Y986-L1065 HydrophobicContact CG-CD1 3.89Å; Y986-P1122 HydrophobicContact CD1-CB 4.46Å; Y986-N1123 PolarHBondContact O-N 3.19Å
987	V	94.4	Very high	78.4	Confident	32 Å²	32	61.9 Å²	61.9	19%	0.194	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	103.9	174.2	179.4	0	0	0	0	107	Q985 G1000 E1001	Q985-V987 HydrophobicContact CG-CG2 4.04Å; V987-G1000 CarbonylContact O-C 3.25Å; V987-G1000 WeakPolarHBondContact O-CA 3.39Å; V987-E1001 HydrophobicContact CB-CB 4.43Å; V987-E1001 PolarHBondContact N-O 2.84Å; V987-E1001 PolarHBondContact O-N 3.02Å
988	P	89.8	Confident	77.8	Confident	43 Å²	43	64.5 Å²	64.5	28%	0.279	36%	0.361	S	S	.	.			trans	-59.5	160.2	173.4	-19.7	31.1	0	0	0	111.9	Y986 P990 P1122	Y986-P988 HydrophobicContact CD1-CG 4.03Å; Y986-P988 HydrophobicContact CE1-CB 4.1Å; Y986-P988 HydrophobicContact CE1-CG 3.72Å; P988-P990 WeakPolarHBondContact O-CD 3.24Å; P988-P1122 HydrophobicContact CG-CB 3.61Å
989	E	78.9	Confident	77.4	Confident	70 Å²	70	65.1 Å²	65.1	33%	0.327	36%	0.363	S	S	.	.			trans	-50.4	121	178.3	-179.8	175.7	-179.6	0	0	111.8	S991 L996 P997 T998	E989-S991 PolarHBondContact O-N 2.67Å; E989-L996 HydrophobicContact CG-CD2 4.2Å; E989-L996 HydrophobicContact CG-CG 4.31Å; E989-L996 WeakPolarHBondContact OE1-CD2 3.4Å; E989-L996 VanDerWaalsContact OE1-CG 3.27Å; E989-L996 WeakPolarHBondContact OE1-CG 3.49Å; E989-P997 VanDerWaalsContact CD-O 3.25Å; E989-P997 WeakPolarHBondContact CG-O 3.11Å; E989-T998 WeakPolarHBondContact OE2-CA 3.14Å
990	P	65.6	Low	77.2	Confident	93 Å²	93	60.9 Å²	60.9	60%	0.604	34%	0.343	S	S	*	.			trans	-76.7	92.7	178.2	30.9	-33.9	0	0	0	109.9	P988	P988-P990 WeakPolarHBondContact O-CD 3.24Å
991	S	55.6	Low	77.1	Confident	98 Å²	98	64.8 Å²	64.8	69%	0.685	36%	0.361	S	S	*	.			trans	-53.7	130.4	160	63.9	0	0	0	0	108.9	E989	E989-S991 PolarHBondContact O-N 2.67Å
992	P	50.9	Low	76.9	Confident	109 Å²	109	62 Å²	62	71%	0.708	35%	0.349	S	S	*	.			cis	-143.7	175.7	38.5	41.5	-23.7	0	0	0	117
993	G	53.3	Low	76.9	Confident	60 Å²	60	63.5 Å²	63.5	62%	0.619	36%	0.356	S	S	*	.	S	Bend	trans	87.6	98.7	139.8	0	0	0	0	0	118.8
994	K	48.7	Very low	76.8	Confident	206 Å²	206	63.5 Å²	63.5	90%	0.896	36%	0.356	S	S	*	.	S	Bend	trans	53.1	97.7	163	-66.8	-175.1	176.2	-178	0	115.9
995	K	51.8	Low	76.8	Confident	217 Å²	217	67.3 Å²	67.3	94%	0.943	37%	0.37	S	S	*	.	S	Bend	trans	79	72.5	-177.8	-53.2	-178.1	179.7	-177.3	0	112.6
996	L	52.1	Low	76.9	Confident	66 Å²	66	65.9 Å²	65.9	35%	0.346	36%	0.364	S	S	.	.			trans	-106.8	135.6	-176.9	-140.4	61.3	0	0	0	110.1	E989 T998	E989-L996 HydrophobicContact CG-CD2 4.2Å; E989-L996 HydrophobicContact CG-CG 4.31Å; E989-L996 WeakPolarHBondContact OE1-CD2 3.4Å; E989-L996 VanDerWaalsContact OE1-CG 3.27Å; E989-L996 WeakPolarHBondContact OE1-CG 3.49Å; L996-T998 PolarHBondContact O-N 3.33Å
997	P	54.9	Low	77	Confident	86 Å²	86	66.4 Å²	66.4	56%	0.558	37%	0.366	S	S	*	.			trans	-75.7	115.1	169.3	30.2	-30.6	0	0	0	109.3	E989 T999	E989-P997 VanDerWaalsContact CD-O 3.25Å; E989-P997 WeakPolarHBondContact CG-O 3.11Å; P997-T999 PolarHBondContact O-N 3.24Å
998	T	69.5	Low	77.1	Confident	70 Å²	70	67 Å²	67	43%	0.429	37%	0.367	S	S	.	.	S	Bend	trans	-73.2	39.2	-168.1	71.5	0	0	0	0	114.9	E989 L996	E989-T998 WeakPolarHBondContact OE2-CA 3.14Å; L996-T998 PolarHBondContact O-N 3.33Å
999	T	83.6	Confident	77.5	Confident	24 Å²	24	65 Å²	65	15%	0.147	35%	0.354	C	S	.	.	S	Bend	trans	-159.3	138.2	-167.8	53.1	0	0	0	0	110.7	P997 G1059 F1060 R1061	P997-T999 PolarHBondContact O-N 3.24Å; T999-G1059 WeakPolarHBondContact OG1-CA 3.33Å; T999-F1060 CarbonylContact C-O 3.45Å; T999-F1060 WeakPolarHBondContact CA-O 3.08Å; T999-F1060 WeakPolarHBondContact CB-O 3.28Å; T999-R1061 HydrophobicContact CG2-CG 4.08Å
1000	G	90.8	Very high	78.2	Confident	2 Å²	2	64.3 Å²	64.3	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	180	169.7	0	0	0	0	0	114	V987 G1059 F1060	V987-G1000 CarbonylContact O-C 3.25Å; V987-G1000 WeakPolarHBondContact O-CA 3.39Å; G1000-G1059 PolarHBondContact O-N 3.44Å; G1000-F1060 PolarHBondContact N-O 2.77Å; G1000-F1060 PolarHBondContact O-N 3.29Å
1001	E	93.8	Very high	79.5	Confident	81 Å²	81	65.5 Å²	65.5	38%	0.379	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.5	-177.5	-57.9	-179.8	165	0	0	111.5	Y986 V987 H1003 V1056 Y1057	Y986-E1001 VanDerWaalsContact CD2-O 3.3Å; Y986-E1001 WeakPolarHBondContact CD2-O 3.45Å; V987-E1001 HydrophobicContact CB-CB 4.43Å; V987-E1001 PolarHBondContact N-O 2.84Å; V987-E1001 PolarHBondContact O-N 3.02Å; E1001-H1003 IonicContact OE2-CD2 2.75Å; E1001-H1003 IonicContact OE2-CE1 3.51Å; E1001-H1003 IonicContact OE2-NE2 2.73Å; E1001-H1003 PolarHBondContact OE2-NE2 3.4Å; E1001-V1056 HydrophobicContact CB-CG1 4.3Å; E1001-Y1057 CarbonylContact C-O 3.56Å; E1001-Y1057 WeakPolarHBondContact CA-O 3.4Å
1002	V	95.2	Very high	81.2	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.2	168.7	176.1	0	0	0	0	109.2	Y986 I1004 Y1057 F1060 L1065 W1115 M1118	Y986-V1002 HydrophobicContact CD2-CG2 3.96Å; V1002-I1004 HydrophobicContact CG1-CD1 4.3Å; V1002-I1004 HydrophobicContact CG1-CG1 3.99Å; V1002-Y1057 PolarHBondContact N-O 3.2Å; V1002-Y1057 PolarHBondContact O-N 3.16Å; V1002-F1060 HydrophobicContact CB-CD2 4.05Å; V1002-F1060 HydrophobicContact CB-CE2 3.65Å; V1002-F1060 HydrophobicContact CB-CZ 3.98Å; V1002-F1060 HydrophobicContact CG2-CD1 4.03Å; V1002-F1060 HydrophobicContact CG2-CD2 3.59Å; V1002-F1060 HydrophobicContact CG2-CE1 4.01Å; V1002-F1060 HydrophobicContact CG2-CE2 3.58Å; V1002-F1060 HydrophobicContact CG2-CG 3.81Å; V1002-F1060 HydrophobicContact CG2-CZ 3.78Å; V1002-L1065 HydrophobicContact CG2-CD2 3.73Å; V1002-W1115 HydrophobicContact CG1-CH2 4.5Å; V1002-M1118 HydrophobicContact CG1-SD 4.08Å
1003	H	96.9	Very high	82.7	Confident	32 Å²	32	57 Å²	57	15%	0.148	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129	179.3	-70.2	-118.5	0	0	0	109.8	L984 Q985 E1001 V1056 W1125	L984-H1003 WeakPolarHBondContact CA-O 3.47Å; Q985-H1003 HydrophobicContact CB-CB 4.22Å; Q985-H1003 PolarHBondContact N-O 3Å; Q985-H1003 PolarHBondContact O-N 2.84Å; E1001-H1003 IonicContact OE2-CD2 2.75Å; E1001-H1003 IonicContact OE2-CE1 3.51Å; E1001-H1003 IonicContact OE2-NE2 2.73Å; E1001-H1003 PolarHBondContact OE2-NE2 3.4Å; H1003-V1056 WeakPolarHBondContact ND1-CG2 3.42Å; H1003-W1125 HydrophobicContact CB-CH2 3.64Å; H1003-W1125 HydrophobicContact CB-CZ2 4.12Å; H1003-W1125 HydrophobicContact CB-CZ3 4.29Å
1004	I	97.7	Very high	84	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	100.3	-171.4	-52.7	177.7	0	0	0	108.6	L984 V1002 I1028 T1054 M1055 Y1057 V1070 L1072	L984-I1004 HydrophobicContact CD2-CB 4.17Å; L984-I1004 HydrophobicContact CD2-CG1 3.98Å; L984-I1004 HydrophobicContact CD2-CG2 3.86Å; V1002-I1004 HydrophobicContact CG1-CD1 4.3Å; V1002-I1004 HydrophobicContact CG1-CG1 3.99Å; I1004-I1028 HydrophobicContact CD1-CD1 3.98Å; I1004-T1054 CarbonylContact O-C 3.47Å; I1004-T1054 WeakPolarHBondContact O-CA 3.42Å; I1004-M1055 PolarHBondContact N-O 2.89Å; I1004-M1055 PolarHBondContact O-N 3.49Å; I1004-Y1057 HydrophobicContact CD1-CD2 3.88Å; I1004-Y1057 HydrophobicContact CD1-CE2 3.9Å; I1004-V1070 HydrophobicContact CD1-CB 4.5Å; I1004-V1070 HydrophobicContact CD1-CG1 3.82Å; I1004-V1070 HydrophobicContact CD1-CG2 3.78Å; I1004-L1072 HydrophobicContact CG2-CD1 4.4Å
1005	W	98.1	Very high	85	Confident	80 Å²	80	50.9 Å²	50.9	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	102.1	-179.5	179.8	19.4	0	0	0	110.8	L982 A983 K1007 T1054 W1125	L982-W1005 CarbonylContact C-O 3.59Å; L982-W1005 VanDerWaalsContact CA-O 3.22Å; L982-W1005 WeakPolarHBondContact CA-O 3.37Å; L982-W1005 WeakPolarHBondContact CB-O 3.49Å; A983-W1005 HydrophobicContact CB-CB 4.45Å; A983-W1005 HydrophobicContact CB-CE3 4.16Å; A983-W1005 PolarHBondContact N-O 3.43Å; A983-W1005 PolarHBondContact O-N 3.37Å; W1005-K1007 HydrophobicContact CD2-CD 4.43Å; W1005-K1007 HydrophobicContact CD2-CG 4.02Å; W1005-K1007 VanDerWaalsContact CE3-CE 3.47Å; W1005-K1007 HydrophobicContact CG-CG 4.25Å; W1005-K1007 HydrophobicContact CH2-CD 4.34Å; W1005-K1007 HydrophobicContact CZ2-CD 4.15Å; W1005-K1007 HydrophobicContact CZ2-CG 4.16Å; W1005-K1007 VanDerWaalsContact CZ3-CE 3.4Å; W1005-K1007 PolarHBondContact O-N 3.13Å; W1005-T1054 HydrophobicContact CB-CG2 4.46Å; W1005-W1125 HydrophobicContact CB-CE3 4.38Å; W1005-W1125 HydrophobicContact CB-CH2 3.77Å; W1005-W1125 HydrophobicContact CB-CZ3 3.54Å
1006	V	98	Very high	85.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.8	172.5	-177.9	0	0	0	0	108.2	M980 V1024 F1051 N1052 H1053 M1055 L1072	M980-V1006 HydrophobicContact SD-CG1 4.2Å; V1006-V1024 HydrophobicContact CG1-CB 4.47Å; V1006-V1024 HydrophobicContact CG1-CG2 4.04Å; V1006-F1051 HydrophobicContact CG1-CB 4.2Å; V1006-F1051 HydrophobicContact CG1-CD2 3.94Å; V1006-F1051 HydrophobicContact CG1-CG 4.35Å; V1006-N1052 WeakPolarHBondContact O-CA 3.23Å; V1006-N1052 PolarHBondContact O-N 3.3Å; V1006-H1053 PolarHBondContact N-O 3.3Å; V1006-H1053 PolarHBondContact O-N 3.32Å; V1006-M1055 HydrophobicContact CG2-CE 4.5Å; V1006-L1072 HydrophobicContact CG2-CD2 4.04Å
1007	K	97.5	Very high	86.3	Confident	25 Å²	25	41.6 Å²	41.6	11%	0.109	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-65	-177.8	-56.7	-167.1	-179.1	-171.5	0	111.1	K981 W1005 F1051 N1052 E1127	K981-K1007 HydrophobicContact CG-CD 4.5Å; K981-K1007 WeakPolarHBondContact O-CB 3.38Å; K981-K1007 PolarHBondContact O-N 2.8Å; W1005-K1007 HydrophobicContact CD2-CD 4.43Å; W1005-K1007 HydrophobicContact CD2-CG 4.02Å; W1005-K1007 VanDerWaalsContact CE3-CE 3.47Å; W1005-K1007 HydrophobicContact CG-CG 4.25Å; W1005-K1007 HydrophobicContact CH2-CD 4.34Å; W1005-K1007 HydrophobicContact CZ2-CD 4.15Å; W1005-K1007 HydrophobicContact CZ2-CG 4.16Å; W1005-K1007 VanDerWaalsContact CZ3-CE 3.4Å; W1005-K1007 PolarHBondContact O-N 3.13Å; K1007-F1051 PolarHBondContact O-N 3.08Å; K1007-N1052 PolarHBondContact O-N 3.28Å; K1007-E1127 WeakPolarHBondContact CD-OE1 3.29Å; K1007-E1127 VanDerWaalsContact CE-OE1 3.31Å; K1007-E1127 WeakPolarHBondContact CE-OE1 3.29Å; K1007-E1127 IonicContact NZ-OE1 3.94Å; K1007-E1127 PolarHBondContact NZ-OE1 3.11Å; K1007-E1127 IonicContact NZ-OE2 3.04Å; K1007-E1127 PolarHBondContact NZ-OE2 2.73Å
1008	E	97.2	Very high	87	Confident	46 Å²	46	41.7 Å²	41.7	22%	0.215	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	158.4	-173.1	59.7	-162.9	149.2	0	0	111.5	K981 P1049 V1050	K981-E1008 HydrophobicContact CB-CG 3.97Å; K981-E1008 HydrophobicContact CD-CG 4.19Å; K981-E1008 WeakPolarHBondContact CD-OE1 3.13Å; K981-E1008 WeakPolarHBondContact CE-OE1 3.46Å; K981-E1008 PolarHBondContact N-O 2.81Å; K981-E1008 IonicContact NZ-OE1 3.03Å; K981-E1008 PolarHBondContact NZ-OE1 3.1Å; K981-E1008 PolarHBondContact O-N 3.38Å; E1008-P1049 VanDerWaalsContact CA-O 3.3Å; E1008-P1049 WeakPolarHBondContact CA-O 3.35Å; E1008-V1050 HydrophobicContact CB-CB 4.49Å; E1008-V1050 HydrophobicContact CB-CG2 4.17Å
1009	C	96.9	Very high	87.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.7	160.9	-65	0	0	0	0	109.9	E979 L1012 N1048 P1049	E979-C1009 CarbonylContact O-C 3.51Å; E979-C1009 WeakPolarHBondContact O-CA 3.13Å; E979-C1009 VanDerWaalsContact O-CB 3.31Å; E979-C1009 WeakPolarHBondContact O-CB 3.46Å; C1009-L1012 HydrophobicContact CB-CD1 3.84Å; C1009-L1012 HydrophobicContact CB-CD2 3.84Å; C1009-L1012 HydrophobicContact CB-CG 3.82Å; C1009-N1048 CarbonylContact O-C 3.27Å; C1009-N1048 VanDerWaalsContact O-CA 3.29Å; C1009-N1048 WeakPolarHBondContact O-CA 3.23Å; C1009-P1049 HydrophobicContact CB-CG 3.97Å; C1009-P1049 PolarHBondContact N-O 2.93Å; C1009-P1049 WeakPolarHBondContact O-CD 3.48Å
1010	L	94.6	Very high	87.4	Confident	55 Å²	55	41.8 Å²	41.8	29%	0.288	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.6	177.7	-55.2	176.3	0	0	0	110.3	G978 E979 L1012 N1048	G978-L1010 CarbonylContact C-O 3.52Å; G978-L1010 WeakPolarHBondContact CA-O 3.11Å; E979-L1010 HydrophobicContact CB-CB 4.36Å; E979-L1010 PolarHBondContact N-O 3.07Å; E979-L1010 PolarHBondContact O-N 2.91Å; L1010-L1012 VanDerWaalsContact C-N 3.3Å; L1010-L1012 PolarHBondContact O-N 2.9Å; L1010-L1012 VanDerWaalsContact O-N 3.11Å; L1010-N1048 WeakPolarHBondContact CA-OD1 3.03Å
1011	D	91.6	Very high	87.4	Confident	118 Å²	118	44.3 Å²	44.3	63%	0.631	24%	0.237	S	C	*	.	S	Bend	trans	43.2	45.1	172.9	-68.1	-30	0	0	0	115.9	G978 N1048	G978-D1011 VanDerWaalsContact CA-O 3.3Å; G978-D1011 WeakPolarHBondContact CA-O 3.15Å; G978-D1011 PolarHBondContact N-O 3Å; D1011-N1048 PolarHBondContact N-OD1 2.94Å
1012	L	91.5	Very high	87.3	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.219	C	C	.	.			trans	-63.2	135.3	176.8	-67	178.9	0	0	0	111.9	C1009 L1010 L1014 L1020 S1022 T1047 P1049 V1074 L1085 L1132	C1009-L1012 HydrophobicContact CB-CD1 3.84Å; C1009-L1012 HydrophobicContact CB-CD2 3.84Å; C1009-L1012 HydrophobicContact CB-CG 3.82Å; L1010-L1012 VanDerWaalsContact C-N 3.3Å; L1010-L1012 PolarHBondContact O-N 2.9Å; L1010-L1012 VanDerWaalsContact O-N 3.11Å; L1012-L1014 PolarHBondContact O-N 2.8Å; L1012-L1020 HydrophobicContact CB-CD1 3.7Å; L1012-S1022 WeakPolarHBondContact CD1-OG 3.48Å; L1012-T1047 VanDerWaalsContact CB-O 3.3Å; L1012-T1047 WeakPolarHBondContact CB-O 3.4Å; L1012-T1047 WeakPolarHBondContact CG-O 3.21Å; L1012-T1047 PolarHBondContact N-O 2.96Å; L1012-T1047 WeakPolarHBondContact O-CG2 3.4Å; L1012-P1049 HydrophobicContact CD1-CG 3.49Å; L1012-P1049 VanDerWaalsContact CD1-CG 3.49Å; L1012-V1074 HydrophobicContact CD1-CG1 3.92Å; L1012-V1074 HydrophobicContact CD2-CG1 4.12Å; L1012-L1085 HydrophobicContact CB-CD1 4.26Å; L1012-L1085 HydrophobicContact CD1-CD1 4.04Å; L1012-L1132 HydrophobicContact CD2-CD1 3.43Å; L1012-L1132 VanDerWaalsContact CD2-CD1 3.43Å
1013	P	82.3	Confident	87.4	Confident	25 Å²	25	41.1 Å²	41.1	16%	0.162	22%	0.222	C	C	.	.			trans	-70.2	126.5	-173.4	27.2	-36	0	0	0	111.8	R977 L1015	R977-P1013 WeakPolarHBondContact O-CD 3.38Å; P1013-L1015 HydrophobicContact CB-CD2 3.9Å; P1013-L1015 HydrophobicContact CB-CG 4.13Å; P1013-L1015 HydrophobicContact CG-CD2 4.33Å; P1013-L1015 HydrophobicContact CG-CG 4.22Å; P1013-L1015 PolarHBondContact O-N 3.06Å
1014	L	82	Confident	87.3	Confident	86 Å²	86	39.6 Å²	39.6	45%	0.45	22%	0.215	S	C	.	.			trans	-75.5	70.5	177.8	-172.7	61.2	0	0	0	111.4	L1012 R1016 G1017 L1020	L1012-L1014 PolarHBondContact O-N 2.8Å; L1014-R1016 VanDerWaalsContact C-N 3.25Å; L1014-R1016 PolarHBondContact O-N 2.81Å; L1014-G1017 WeakPolarHBondContact CD1-O 3.33Å; L1014-G1017 WeakPolarHBondContact CG-O 3.41Å; L1014-L1020 HydrophobicContact CD1-CD2 3.88Å; L1014-L1020 HydrophobicContact CD1-CG 3.82Å
1015	L	69.1	Low	87.2	Confident	52 Å²	52	41.7 Å²	41.7	27%	0.272	22%	0.224	S	C	.	.			trans	-73.4	-9.5	-174	-57.2	-179.1	0	0	0	114.5	P1013 Q1083 L1085	P1013-L1015 HydrophobicContact CB-CD2 3.9Å; P1013-L1015 HydrophobicContact CB-CG 4.13Å; P1013-L1015 HydrophobicContact CG-CD2 4.33Å; P1013-L1015 HydrophobicContact CG-CG 4.22Å; P1013-L1015 PolarHBondContact O-N 3.06Å; L1015-Q1083 HydrophobicContact CD1-CG 4.4Å; L1015-L1085 HydrophobicContact CD1-CD2 3.9Å; L1015-L1085 HydrophobicContact CG-CD2 4.21Å
1016	R	65.1	Low	87.1	Confident	39 Å²	39	37.9 Å²	37.9	15%	0.147	21%	0.21	C	C	.	.	S	Bend	trans	-163.8	132.7	179.6	-175.4	158.2	-73.1	157.4	0.4	112.2	G821 L1014 Y1078 Q1083	G821-R1016 PolarHBondContact O-NH2 3.14Å; L1014-R1016 VanDerWaalsContact C-N 3.25Å; L1014-R1016 PolarHBondContact O-N 2.81Å; R1016-Y1078 HydrophobicContact CG-CD2 4.17Å; R1016-Y1078 HydrophobicContact CG-CE2 4.3Å; R1016-Y1078 HydrophobicContact CG-CG 4.31Å; R1016-Q1083 VanDerWaalsContact NH1-OE1 3.13Å
1017	G	65.6	Low	86.8	Confident	50 Å²	50	38.1 Å²	38.1	52%	0.515	21%	0.211	S	C	.	.	S	Bend	trans	75.5	-171.8	177	0	0	0	0	0	113.6	L1014	L1014-G1017 WeakPolarHBondContact CD1-O 3.33Å; L1014-G1017 WeakPolarHBondContact CG-O 3.41Å
1018	S	69.9	Low	86.6	Confident	87 Å²	87	37.5 Å²	37.5	61%	0.608	21%	0.209	S	C	*	.	S	Bend	trans	-89.5	-11.1	176.1	56.4	0	0	0	0	113.8
1019	H	75.4	Confident	86.4	Confident	95 Å²	95	35.3 Å²	35.3	44%	0.44	20%	0.199	S	C	.	.			trans	-147.3	131.4	-167.5	-62.5	-41.1	0	0	0	110	K1045	H1019-K1045 HydrophobicContact CB-CB 4.48Å; H1019-K1045 HydrophobicContact CB-CG 4.38Å
1020	L	86.6	Confident	86	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.205	C	C	.	.			trans	-86	148.5	167.8	-61.5	177.3	0	0	0	110.7	L1012 L1014 G1044 K1045 T1047 D1076 L1085	L1012-L1020 HydrophobicContact CB-CD1 3.7Å; L1014-L1020 HydrophobicContact CD1-CD2 3.88Å; L1014-L1020 HydrophobicContact CD1-CG 3.82Å; L1020-G1044 CarbonylContact O-C 3.58Å; L1020-K1045 PolarHBondContact O-N 3.26Å; L1020-T1047 HydrophobicContact CD1-CG2 4.41Å; L1020-D1076 HydrophobicContact CD2-CB 4.04Å; L1020-L1085 HydrophobicContact CD1-CD1 4.04Å; L1020-L1085 HydrophobicContact CD2-CD2 4.44Å
1021	N	89.8	Confident	85.6	Confident	55 Å²	55	35.1 Å²	35.1	29%	0.294	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	68.5	166.9	-58.3	-57.2	0	0	0	108.9	V1043 G1044 D1076 H1077	N1021-V1043 CarbonylContact C-O 3.48Å; N1021-V1043 WeakPolarHBondContact CA-O 3.3Å; N1021-G1044 WeakPolarHBondContact OD1-CA 3.48Å; N1021-D1076 PolarHBondContact N-OD1 3.17Å; N1021-H1077 HydrophobicContact CB-CB 4.08Å; N1021-H1077 PolarHBondContact ND2-O 3.37Å; N1021-H1077 WeakPolarHBondContact O-CB 3.26Å; N1021-H1077 PolarHBondContact O-N 3.13Å
1022	S	93.5	Very high	84.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	142.6	-168.2	-63.1	0	0	0	0	112.8	L1012 A1042 V1043 F1051 W1075	L1012-S1022 WeakPolarHBondContact CD1-OG 3.48Å; S1022-A1042 CarbonylContact O-C 3.44Å; S1022-A1042 WeakPolarHBondContact O-CA 3.36Å; S1022-V1043 PolarHBondContact N-O 3.06Å; S1022-V1043 PolarHBondContact O-N 2.73Å; S1022-F1051 WeakPolarHBondContact O-CE1 3.43Å; S1022-W1075 CarbonylContact C-O 3.53Å; S1022-W1075 VanDerWaalsContact CA-O 3.28Å; S1022-W1075 WeakPolarHBondContact CA-O 3.36Å
1023	F	95.5	Very high	84.3	Confident	14 Å²	14	32.7 Å²	32.7	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.9	169.1	70.6	-79.3	0	0	0	111.4	K1025 A1042 W1075 H1077 N1082	F1023-K1025 HydrophobicContact CD2-CG 4.25Å; F1023-K1025 HydrophobicContact CE2-CD 4.35Å; F1023-K1025 HydrophobicContact CE2-CG 3.9Å; F1023-A1042 HydrophobicContact CB-CB 4.12Å; F1023-W1075 HydrophobicContact CD1-CB 3.99Å; F1023-W1075 WeakPolarHBondContact CD1-O 3.23Å; F1023-W1075 HydrophobicContact CE1-CB 3.59Å; F1023-W1075 HydrophobicContact CE2-CB 4.35Å; F1023-W1075 HydrophobicContact CZ-CB 3.81Å; F1023-W1075 HydrophobicContact CZ-CG 4.34Å; F1023-W1075 PolarHBondContact N-O 3.35Å; F1023-W1075 PolarHBondContact O-N 3.09Å; F1023-H1077 HydrophobicContact CD1-CB 4.15Å; F1023-H1077 HydrophobicContact CE1-CB 3.96Å; F1023-N1082 VanDerWaalsContact CE1-OD1 3.27Å; F1023-N1082 WeakPolarHBondContact CE1-OD1 3.29Å; F1023-N1082 WeakPolarHBondContact CZ-OD1 3.47Å
1024	V	96.4	Very high	84.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.8	179.2	-171.9	0	0	0	0	109.9	M980 V1006 K1039 T1040 F1051 L1072 T1073 V1074	M980-V1024 HydrophobicContact CE-CB 4.44Å; M980-V1024 HydrophobicContact CE-CG1 3.75Å; M980-V1024 HydrophobicContact CE-CG2 3.75Å; V1006-V1024 HydrophobicContact CG1-CB 4.47Å; V1006-V1024 HydrophobicContact CG1-CG2 4.04Å; V1024-K1039 CarbonylContact O-C 3.58Å; V1024-K1039 WeakPolarHBondContact O-CA 3.12Å; V1024-K1039 WeakPolarHBondContact O-CB 3.46Å; V1024-T1040 HydrophobicContact CB-CG2 3.88Å; V1024-T1040 HydrophobicContact CG2-CG2 4.39Å; V1024-T1040 PolarHBondContact N-OG1 3.28Å; V1024-T1040 PolarHBondContact O-N 3.02Å; V1024-F1051 HydrophobicContact CG2-CD2 3.94Å; V1024-F1051 HydrophobicContact CG2-CE2 3.56Å; V1024-F1051 HydrophobicContact CG2-CZ 3.9Å; V1024-L1072 HydrophobicContact CG1-CD2 3.81Å; V1024-T1073 CarbonylContact C-O 3.48Å; V1024-T1073 WeakPolarHBondContact CA-O 3.17Å; V1024-V1074 HydrophobicContact CG2-CG2 4.26Å
1025	K	94.5	Very high	83.8	Confident	45 Å²	45	46.7 Å²	46.7	20%	0.196	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138	165.4	-55.1	-180	-172.1	63.5	0	108.9	F1023 K1039 T1073 W1075	F1023-K1025 HydrophobicContact CD2-CG 4.25Å; F1023-K1025 HydrophobicContact CE2-CD 4.35Å; F1023-K1025 HydrophobicContact CE2-CG 3.9Å; K1025-K1039 HydrophobicContact CG-CB 4.29Å; K1025-T1073 PolarHBondContact N-O 3.1Å; K1025-T1073 PolarHBondContact O-N 3.04Å; K1025-T1073 PolarHBondContact O-OG1 3.37Å; K1025-W1075 VanDerWaalsContact NZ-CE2 3.31Å; K1025-W1075 VanDerWaalsContact NZ-NE1 3.16Å
1026	C	95.3	Very high	84.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	153	171	-173.4	0	0	0	0	110.2	Q1038 M1055 Y1057 E1071 L1072	C1026-Q1038 PolarHBondContact N-O 3.02Å; C1026-M1055 HydrophobicContact CB-CE 4.37Å; C1026-M1055 HydrophobicContact CB-SD 3.32Å; C1026-M1055 WeakPolarHBondContact CB-SD 3.26Å; C1026-Y1057 HydrophobicContact CB-CE2 4.42Å; C1026-Y1057 WeakPolarHBondContact CB-OH 3.33Å; C1026-Y1057 PolarHBondContact SG-OH 2.99Å; C1026-Y1057 VanDerWaalsContact SG-OH 3.41Å; C1026-E1071 CarbonylContact C-O 3.52Å; C1026-E1071 WeakPolarHBondContact CA-O 3.33Å; C1026-L1072 HydrophobicContact CB-CD2 3.78Å
1027	T	93.1	Very high	85.6	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.025	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	133	166.5	-60	0	0	0	0	108.6	L1029 D1031 R1037 E1071	T1027-L1029 HydrophobicContact CG2-CD2 4.09Å; T1027-D1031 WeakPolarHBondContact CG2-O 3.49Å; T1027-R1037 HydrophobicContact CG2-CG 4.35Å; T1027-R1037 VanDerWaalsContact OG1-CZ 3.24Å; T1027-R1037 PolarHBondContact OG1-NH2 2.83Å; T1027-E1071 PolarHBondContact N-O 2.81Å; T1027-E1071 PolarHBondContact O-N 2.83Å
1028	I	93.3	Very high	87	Confident	13 Å²	13	46.8 Å²	46.8	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.9	167.4	-51	-55.3	0	0	0	108.5	I1004 D1031 Y1057 F1060 A1068 V1070	I1004-I1028 HydrophobicContact CD1-CD1 3.98Å; I1028-D1031 CarbonylContact O-C 3.54Å; I1028-D1031 VanDerWaalsContact O-C 3.27Å; I1028-D1031 WeakPolarHBondContact O-CA 3.35Å; I1028-D1031 PolarHBondContact O-N 2.89Å; I1028-D1031 VanDerWaalsContact O-O 3.09Å; I1028-Y1057 HydrophobicContact CD1-CD1 4.33Å; I1028-Y1057 HydrophobicContact CD1-CD2 3.83Å; I1028-Y1057 HydrophobicContact CD1-CE2 4.05Å; I1028-Y1057 HydrophobicContact CD1-CG 3.97Å; I1028-Y1057 HydrophobicContact CG1-CD1 3.55Å; I1028-Y1057 HydrophobicContact CG1-CD2 3.97Å; I1028-Y1057 HydrophobicContact CG1-CE1 3.82Å; I1028-Y1057 HydrophobicContact CG1-CE2 4.23Å; I1028-Y1057 HydrophobicContact CG1-CG 3.61Å; I1028-F1060 HydrophobicContact CD1-CZ 4.11Å; I1028-F1060 HydrophobicContact CG1-CZ 4.04Å; I1028-F1060 HydrophobicContact CG2-CE1 3.99Å; I1028-F1060 HydrophobicContact CG2-CZ 3.71Å; I1028-A1068 HydrophobicContact CG2-CB 4.37Å; I1028-V1070 HydrophobicContact CD1-CG2 3.82Å
1029	L	91.9	Very high	88.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.8	170.1	-57	-178.5	0	0	0	108.6	T1027 T1032 A1068 C1069 E1071 W1104 A1138	T1027-L1029 HydrophobicContact CG2-CD2 4.09Å; L1029-T1032 HydrophobicContact CD2-CG2 3.85Å; L1029-A1068 VanDerWaalsContact O-CA 3.32Å; L1029-A1068 WeakPolarHBondContact O-CA 3.38Å; L1029-C1069 HydrophobicContact CB-CB 4.43Å; L1029-C1069 PolarHBondContact N-O 3.09Å; L1029-C1069 PolarHBondContact O-N 2.84Å; L1029-E1071 HydrophobicContact CD1-CB 3.96Å; L1029-E1071 HydrophobicContact CG-CB 4.16Å; L1029-W1104 HydrophobicContact CB-CD2 3.92Å; L1029-W1104 HydrophobicContact CB-CE3 3.49Å; L1029-W1104 VanDerWaalsContact CB-CE3 3.49Å; L1029-W1104 HydrophobicContact CB-CH2 3.86Å; L1029-W1104 HydrophobicContact CB-CZ2 4.27Å; L1029-W1104 HydrophobicContact CB-CZ3 3.47Å; L1029-W1104 VanDerWaalsContact CB-CZ3 3.47Å; L1029-W1104 HydrophobicContact CD1-CB 3.73Å; L1029-W1104 HydrophobicContact CD1-CD2 3.66Å; L1029-W1104 HydrophobicContact CD1-CE3 3.62Å; L1029-W1104 HydrophobicContact CD1-CG 3.73Å; L1029-W1104 HydrophobicContact CD1-CZ3 4.46Å; L1029-W1104 HydrophobicContact CG-CD2 4.4Å; L1029-W1104 HydrophobicContact CG-CE3 4.2Å; L1029-A1138 HydrophobicContact CD1-CB 4.07Å; L1029-A1138 HydrophobicContact CD2-CB 4.42Å
1030	P	88.8	Confident	89.2	Confident	20 Å²	20	45 Å²	45	13%	0.13	21%	0.206	C	C	.	.	S	Bend	cis	-82.3	-1.4	14.1	32	-37.5	0	0	0	116.8	V687 R694 T1032 Y1098 W1104	V687-P1030 HydrophobicContact CG1-CG 3.81Å; R694-P1030 PolarHBondContact NH1-O 2.79Å; P1030-T1032 PolarHBondContact O-N 3.01Å; P1030-Y1098 HydrophobicContact CG-CD2 4.16Å; P1030-Y1098 HydrophobicContact CG-CE2 3.75Å; P1030-W1104 HydrophobicContact CB-CH2 4.04Å; P1030-W1104 HydrophobicContact CB-CZ2 3.82Å
1031	D	85.7	Confident	89.6	Confident	30 Å²	30	55.4 Å²	55.4	16%	0.16	25%	0.246	C	C	.	.			trans	-75.9	81.6	-177.5	-169.7	16.4	0	0	0	114.7	T690 T1027 I1028 S1033 S1036	T690-D1031 HydrophobicContact CG2-CB 4.44Å; T690-D1031 VanDerWaalsContact CG2-OD1 3.27Å; T690-D1031 WeakPolarHBondContact CG2-OD1 3.24Å; T1027-D1031 WeakPolarHBondContact CG2-O 3.49Å; I1028-D1031 CarbonylContact O-C 3.54Å; I1028-D1031 VanDerWaalsContact O-C 3.27Å; I1028-D1031 WeakPolarHBondContact O-CA 3.35Å; I1028-D1031 PolarHBondContact O-N 2.89Å; I1028-D1031 VanDerWaalsContact O-O 3.09Å; D1031-S1033 VanDerWaalsContact CG-CB 3.48Å; D1031-S1033 PolarHBondContact O-N 2.95Å; D1031-S1033 WeakPolarHBondContact OD1-CA 3.39Å; D1031-S1033 WeakPolarHBondContact OD1-CB 3.46Å; D1031-S1033 PolarHBondContact OD1-N 2.84Å; D1031-S1033 VanDerWaalsContact OD2-CB 3.31Å; D1031-S1033 WeakPolarHBondContact OD2-CB 3.29Å; D1031-S1036 PolarHBondContact O-OG 3.45Å; D1031-S1036 VanDerWaalsContact OD2-CB 3.22Å; D1031-S1036 WeakPolarHBondContact OD2-CB 3.17Å; D1031-S1036 PolarHBondContact OD2-OG 2.86Å
1032	T	78.4	Confident	89.8	Confident	29 Å²	29	55.7 Å²	55.7	18%	0.178	26%	0.256	C	S	.	.			trans	-70.9	13	171.5	68.1	0	0	0	0	115.4	R694 L1029 P1030 K1139	R694-T1032 PolarHBondContact NH1-OG1 2.82Å; R694-T1032 VanDerWaalsContact NH1-OG1 3.15Å; L1029-T1032 HydrophobicContact CD2-CG2 3.85Å; P1030-T1032 PolarHBondContact O-N 3.01Å; T1032-K1139 WeakPolarHBondContact O-CE 3.37Å; T1032-K1139 PolarHBondContact O-NZ 3.49Å
1033	S	78.9	Confident	89.8	Confident	42 Å²	42	57.4 Å²	57.4	29%	0.294	27%	0.266	S	S	.	.			trans	-51.6	171.2	175.6	178.1	0	0	0	0	113.7	D1031 K1035 S1036 R1037	D1031-S1033 VanDerWaalsContact CG-CB 3.48Å; D1031-S1033 PolarHBondContact O-N 2.95Å; D1031-S1033 WeakPolarHBondContact OD1-CA 3.39Å; D1031-S1033 WeakPolarHBondContact OD1-CB 3.46Å; D1031-S1033 PolarHBondContact OD1-N 2.84Å; D1031-S1033 VanDerWaalsContact OD2-CB 3.31Å; D1031-S1033 WeakPolarHBondContact OD2-CB 3.29Å; S1033-K1035 PolarHBondContact OG-N 2.8Å; S1033-K1035 VanDerWaalsContact OG-N 3.1Å; S1033-S1036 WeakPolarHBondContact CB-OG 3.19Å; S1033-R1037 WeakPolarHBondContact O-CD 3.38Å; S1033-R1037 VanDerWaalsContact O-CG 3.29Å; S1033-R1037 WeakPolarHBondContact O-CG 3.27Å; S1033-R1037 PolarHBondContact O-NE 2.82Å
1034	R	76.9	Confident	89.5	Confident	206 Å²	206	58.7 Å²	58.7	78%	0.777	28%	0.283	S	S	*	.	S	Bend	trans	-90.1	-16.3	168.8	-71.7	-172.8	179.4	178.3	0.7	112.6
1035	K	76.7	Confident	89	Confident	198 Å²	198	66.5 Å²	66.5	86%	0.861	32%	0.317	S	S	*	.	S	Bend	trans	-84	-38.8	178.9	-65.6	-168.8	173.9	-167.9	0	112.1	S1033 R1037	S1033-K1035 PolarHBondContact OG-N 2.8Å; S1033-K1035 VanDerWaalsContact OG-N 3.1Å; K1035-R1037 PolarHBondContact O-N 2.97Å
1036	S	82.4	Confident	88.9	Confident	16 Å²	16	66.5 Å²	66.5	11%	0.112	32%	0.321	C	S	.	.	S	Bend	trans	-71.8	26.6	175.7	58.9	0	0	0	0	115	D1031 S1033	D1031-S1036 PolarHBondContact O-OG 3.45Å; D1031-S1036 VanDerWaalsContact OD2-CB 3.22Å; D1031-S1036 WeakPolarHBondContact OD2-CB 3.17Å; D1031-S1036 PolarHBondContact OD2-OG 2.86Å; S1033-S1036 WeakPolarHBondContact CB-OG 3.19Å
1037	R	90.1	Very high	88.7	Confident	66 Å²	66	69 Å²	69	25%	0.249	34%	0.336	C	S	.	.			trans	-126.4	95.3	-169.6	-70.1	-167.8	168.9	-112	-23.6	112.1	T1027 S1033 K1035	T1027-R1037 HydrophobicContact CG2-CG 4.35Å; T1027-R1037 VanDerWaalsContact OG1-CZ 3.24Å; T1027-R1037 PolarHBondContact OG1-NH2 2.83Å; S1033-R1037 WeakPolarHBondContact O-CD 3.38Å; S1033-R1037 VanDerWaalsContact O-CG 3.29Å; S1033-R1037 WeakPolarHBondContact O-CG 3.27Å; S1033-R1037 PolarHBondContact O-NE 2.82Å; K1035-R1037 PolarHBondContact O-N 2.97Å
1038	Q	94.2	Very high	88.8	Confident	61 Å²	61	71.9 Å²	71.9	29%	0.285	35%	0.352	S	S	.	.			trans	-92.8	157.9	175.3	-57.3	-174.4	49.4	0	0	110.9	C1026 M1055 V1056 Y1057	C1026-Q1038 PolarHBondContact N-O 3.02Å; Q1038-M1055 HydrophobicContact CB-CB 4.17Å; Q1038-M1055 HydrophobicContact CB-CG 3.91Å; Q1038-M1055 HydrophobicContact CB-SD 3.49Å; Q1038-M1055 WeakPolarHBondContact CB-SD 3.42Å; Q1038-V1056 PolarHBondContact NE2-O 3.13Å; Q1038-Y1057 WeakPolarHBondContact CB-OH 3.28Å; Q1038-Y1057 HydrophobicContact CG-CE1 4.14Å; Q1038-Y1057 HydrophobicContact CG-CE2 4.49Å; Q1038-Y1057 PolarHBondContact N-OH 3.03Å
1039	K	94.7	Very high	88.9	Confident	137 Å²	137	71.3 Å²	71.3	60%	0.596	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-151.2	148.4	178.9	59	159.9	-172.7	166	0	111.3	V1024 K1025	V1024-K1039 CarbonylContact O-C 3.58Å; V1024-K1039 WeakPolarHBondContact O-CA 3.12Å; V1024-K1039 WeakPolarHBondContact O-CB 3.46Å; K1025-K1039 HydrophobicContact CG-CB 4.29Å
1040	T	96.6	Very high	89.2	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.043	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-70.6	168.9	172.9	67.7	0	0	0	0	111	V1024 F1051 H1053 M1055	V1024-T1040 HydrophobicContact CB-CG2 3.88Å; V1024-T1040 HydrophobicContact CG2-CG2 4.39Å; V1024-T1040 PolarHBondContact N-OG1 3.28Å; V1024-T1040 PolarHBondContact O-N 3.02Å; T1040-F1051 HydrophobicContact CG2-CB 4.09Å; T1040-F1051 HydrophobicContact CG2-CD1 4.03Å; T1040-F1051 HydrophobicContact CG2-CG 4.07Å; T1040-F1051 WeakPolarHBondContact OG1-CD1 3.28Å; T1040-H1053 HydrophobicContact CG2-CB 4.08Å; T1040-M1055 HydrophobicContact CG2-CE 3.6Å
1041	R	95.2	Very high	89.5	Confident	220 Å²	220	74.8 Å²	74.8	83%	0.83	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-64.8	154.5	157	-65.4	-179.4	-179	-98.6	0.9	109.5
1042	A	93.8	Very high	90.1	Very high	61 Å²	61	78.2 Å²	78.2	50%	0.504	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-81.2	133.3	172.9	0	0	0	0	0	110.3	S1022 F1023	S1022-A1042 CarbonylContact O-C 3.44Å; S1022-A1042 WeakPolarHBondContact O-CA 3.36Å; F1023-A1042 HydrophobicContact CB-CB 4.12Å
1043	V	94.2	Very high	91	Very high	37 Å²	37	79.9 Å²	79.9	22%	0.224	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.1	-179	179	0	0	0	0	107.5	N1021 S1022 T1046 P1049 V1050 F1051	N1021-V1043 CarbonylContact C-O 3.48Å; N1021-V1043 WeakPolarHBondContact CA-O 3.3Å; S1022-V1043 PolarHBondContact N-O 3.06Å; S1022-V1043 PolarHBondContact O-N 2.73Å; V1043-T1046 HydrophobicContact CG1-CG2 3.94Å; V1043-P1049 HydrophobicContact CB-CB 3.75Å; V1043-P1049 HydrophobicContact CG1-CB 3.71Å; V1043-P1049 HydrophobicContact CG2-CB 4.46Å; V1043-V1050 WeakPolarHBondContact CG2-O 3.42Å; V1043-F1051 HydrophobicContact CB-CD1 4.46Å; V1043-F1051 HydrophobicContact CB-CE1 4.04Å; V1043-F1051 HydrophobicContact CG2-CD1 3.55Å; V1043-F1051 HydrophobicContact CG2-CE1 3.6Å; V1043-F1051 HydrophobicContact CG2-CG 4.5Å
1044	G	88.8	Confident	91.8	Very high	40 Å²	40	80.7 Å²	80.7	41%	0.412	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	155.1	-170.6	0	0	0	0	0	114.6	L1020 N1021 T1046	L1020-G1044 CarbonylContact O-C 3.58Å; N1021-G1044 WeakPolarHBondContact OD1-CA 3.48Å; G1044-T1046 PolarHBondContact O-N 2.78Å
1045	K	86.5	Confident	92.8	Very high	164 Å²	164	70.9 Å²	70.9	71%	0.713	36%	0.358	S	S	*	.	S	Bend	trans	65.3	24.8	166.5	-51.1	177.4	-176	175.8	0	116.2	H1019 L1020	H1019-K1045 HydrophobicContact CB-CB 4.48Å; H1019-K1045 HydrophobicContact CB-CG 4.38Å; L1020-K1045 PolarHBondContact O-N 3.26Å
1046	T	91.1	Very high	93.6	Very high	46 Å²	46	64.1 Å²	64.1	28%	0.282	33%	0.333	S	S	.	.			trans	-142.7	145	178.4	-178.4	0	0	0	0	112.6	V1043 G1044 N1048 P1049	V1043-T1046 HydrophobicContact CG1-CG2 3.94Å; G1044-T1046 PolarHBondContact O-N 2.78Å; T1046-N1048 VanDerWaalsContact C-N 3.32Å; T1046-N1048 WeakPolarHBondContact CG2-O 3.35Å; T1046-N1048 VanDerWaalsContact OG1-C 3.29Å; T1046-N1048 WeakPolarHBondContact OG1-CA 2.74Å; T1046-N1048 PolarHBondContact OG1-N 3.45Å; T1046-N1048 PolarHBondContact OG1-O 3.39Å; T1046-P1049 HydrophobicContact CG2-CB 4.01Å
1047	T	91.7	Very high	94.2	Very high	51 Å²	51	64 Å²	64	31%	0.313	33%	0.33	S	S	.	.	S	Bend	trans	-80.1	-17.2	165	49.5	0	0	0	0	112.4	L1012 L1020 P1049	L1012-T1047 VanDerWaalsContact CB-O 3.3Å; L1012-T1047 WeakPolarHBondContact CB-O 3.4Å; L1012-T1047 WeakPolarHBondContact CG-O 3.21Å; L1012-T1047 PolarHBondContact N-O 2.96Å; L1012-T1047 WeakPolarHBondContact O-CG2 3.4Å; L1020-T1047 HydrophobicContact CD1-CG2 4.41Å; T1047-P1049 WeakPolarHBondContact O-CD 3.36Å
1048	N	94.5	Very high	94.2	Very high	66 Å²	66	66.9 Å²	66.9	35%	0.353	35%	0.351	S	S	.	.	S	Bend	trans	-114.2	75.6	178.9	-64.1	-55.4	0	0	0	109.7	C1009 L1010 D1011 T1046	C1009-N1048 CarbonylContact O-C 3.27Å; C1009-N1048 VanDerWaalsContact O-CA 3.29Å; C1009-N1048 WeakPolarHBondContact O-CA 3.23Å; L1010-N1048 WeakPolarHBondContact CA-OD1 3.03Å; D1011-N1048 PolarHBondContact N-OD1 2.94Å; T1046-N1048 VanDerWaalsContact C-N 3.32Å; T1046-N1048 WeakPolarHBondContact CG2-O 3.35Å; T1046-N1048 VanDerWaalsContact OG1-C 3.29Å; T1046-N1048 WeakPolarHBondContact OG1-CA 2.74Å; T1046-N1048 PolarHBondContact OG1-N 3.45Å; T1046-N1048 PolarHBondContact OG1-O 3.39Å
1049	P	95.7	Very high	93.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.338	C	S	.	.			trans	-81.9	121.1	-178.8	32	-36.2	0	0	0	112.3	E1008 C1009 L1012 V1043 T1046 T1047 F1051	E1008-P1049 VanDerWaalsContact CA-O 3.3Å; E1008-P1049 WeakPolarHBondContact CA-O 3.35Å; C1009-P1049 HydrophobicContact CB-CG 3.97Å; C1009-P1049 PolarHBondContact N-O 2.93Å; C1009-P1049 WeakPolarHBondContact O-CD 3.48Å; L1012-P1049 HydrophobicContact CD1-CG 3.49Å; L1012-P1049 VanDerWaalsContact CD1-CG 3.49Å; V1043-P1049 HydrophobicContact CB-CB 3.75Å; V1043-P1049 HydrophobicContact CG1-CB 3.71Å; V1043-P1049 HydrophobicContact CG2-CB 4.46Å; T1046-P1049 HydrophobicContact CG2-CB 4.01Å; T1047-P1049 WeakPolarHBondContact O-CD 3.36Å; P1049-F1051 HydrophobicContact CB-CE1 4.23Å; P1049-F1051 HydrophobicContact CB-CE2 3.92Å; P1049-F1051 HydrophobicContact CB-CZ 3.69Å; P1049-F1051 HydrophobicContact CG-CE2 3.65Å; P1049-F1051 HydrophobicContact CG-CZ 3.68Å
1050	V	97.2	Very high	93.7	Very high	72 Å²	72	57.8 Å²	57.8	44%	0.436	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.7	168.2	-176.5	0	0	0	0	109.1	E1008 V1043 N1052	E1008-V1050 HydrophobicContact CB-CB 4.49Å; E1008-V1050 HydrophobicContact CB-CG2 4.17Å; V1043-V1050 WeakPolarHBondContact CG2-O 3.42Å; V1050-N1052 VanDerWaalsContact CG1-ND2 3.33Å; V1050-N1052 WeakPolarHBondContact CG1-ND2 3.35Å
1051	F	96.9	Very high	93.2	Very high	22 Å²	22	61 Å²	61	10%	0.096	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-39	-178.7	-66.3	-67.4	0	0	0	113.4	V1006 K1007 S1022 V1024 T1040 V1043 P1049 H1053	V1006-F1051 HydrophobicContact CG1-CB 4.2Å; V1006-F1051 HydrophobicContact CG1-CD2 3.94Å; V1006-F1051 HydrophobicContact CG1-CG 4.35Å; K1007-F1051 PolarHBondContact O-N 3.08Å; S1022-F1051 WeakPolarHBondContact O-CE1 3.43Å; V1024-F1051 HydrophobicContact CG2-CD2 3.94Å; V1024-F1051 HydrophobicContact CG2-CE2 3.56Å; V1024-F1051 HydrophobicContact CG2-CZ 3.9Å; T1040-F1051 HydrophobicContact CG2-CB 4.09Å; T1040-F1051 HydrophobicContact CG2-CD1 4.03Å; T1040-F1051 HydrophobicContact CG2-CG 4.07Å; T1040-F1051 WeakPolarHBondContact OG1-CD1 3.28Å; V1043-F1051 HydrophobicContact CB-CD1 4.46Å; V1043-F1051 HydrophobicContact CB-CE1 4.04Å; V1043-F1051 HydrophobicContact CG2-CD1 3.55Å; V1043-F1051 HydrophobicContact CG2-CE1 3.6Å; V1043-F1051 HydrophobicContact CG2-CG 4.5Å; P1049-F1051 HydrophobicContact CB-CE1 4.23Å; P1049-F1051 HydrophobicContact CB-CE2 3.92Å; P1049-F1051 HydrophobicContact CB-CZ 3.69Å; P1049-F1051 HydrophobicContact CG-CE2 3.65Å; P1049-F1051 HydrophobicContact CG-CZ 3.68Å; F1051-H1053 VanDerWaalsContact C-N 3.28Å; F1051-H1053 PolarHBondContact O-N 3.48Å
1052	N	96.6	Very high	92.8	Very high	102 Å²	102	54.4 Å²	54.4	55%	0.545	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	37.5	55	-175.5	-75.6	-25.9	0	0	0	113.7	V1006 K1007 V1050	V1006-N1052 WeakPolarHBondContact O-CA 3.23Å; V1006-N1052 PolarHBondContact O-N 3.3Å; K1007-N1052 PolarHBondContact O-N 3.28Å; V1050-N1052 VanDerWaalsContact CG1-ND2 3.33Å; V1050-N1052 WeakPolarHBondContact CG1-ND2 3.35Å
1053	H	97.4	Very high	92.6	Very high	64 Å²	64	57.2 Å²	57.2	30%	0.296	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119	-170.1	-178.3	75.4	0	0	0	111.5	V1006 T1040 F1051	V1006-H1053 PolarHBondContact N-O 3.3Å; V1006-H1053 PolarHBondContact O-N 3.32Å; T1040-H1053 HydrophobicContact CG2-CB 4.08Å; F1051-H1053 VanDerWaalsContact C-N 3.28Å; F1051-H1053 PolarHBondContact O-N 3.48Å
1054	T	97.2	Very high	92.4	Very high	59 Å²	59	55.8 Å²	55.8	36%	0.362	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.9	176.1	-50.4	0	0	0	0	110.8	I1004 W1005 V1056 W1125	I1004-T1054 CarbonylContact O-C 3.47Å; I1004-T1054 WeakPolarHBondContact O-CA 3.42Å; W1005-T1054 HydrophobicContact CB-CG2 4.46Å; T1054-V1056 HydrophobicContact CG2-CG2 4.21Å; T1054-W1125 HydrophobicContact CG2-CH2 3.97Å
1055	M	96.3	Very high	92.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.5	171.3	-57.6	-177.4	-162	0	0	107.8	I1004 V1006 C1026 Q1038 T1040 Y1057	I1004-M1055 PolarHBondContact N-O 2.89Å; I1004-M1055 PolarHBondContact O-N 3.49Å; V1006-M1055 HydrophobicContact CG2-CE 4.5Å; C1026-M1055 HydrophobicContact CB-CE 4.37Å; C1026-M1055 HydrophobicContact CB-SD 3.32Å; C1026-M1055 WeakPolarHBondContact CB-SD 3.26Å; Q1038-M1055 HydrophobicContact CB-CB 4.17Å; Q1038-M1055 HydrophobicContact CB-CG 3.91Å; Q1038-M1055 HydrophobicContact CB-SD 3.49Å; Q1038-M1055 WeakPolarHBondContact CB-SD 3.42Å; T1040-M1055 HydrophobicContact CG2-CE 3.6Å; M1055-Y1057 HydrophobicContact CB-CE2 4.05Å
1056	V	95.3	Very high	92.9	Very high	55 Å²	55	52 Å²	52	33%	0.333	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.9	-177.9	-175.8	0	0	0	0	109.1	E1001 H1003 Q1038 T1054	E1001-V1056 HydrophobicContact CB-CG1 4.3Å; H1003-V1056 WeakPolarHBondContact ND1-CG2 3.42Å; Q1038-V1056 PolarHBondContact NE2-O 3.13Å; T1054-V1056 HydrophobicContact CG2-CG2 4.21Å
1057	Y	93.6	Very high	92.9	Very high	13 Å²	13	52.4 Å²	52.4	5%	0.051	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.5	177.5	-68.1	-91.3	0	0	0	110.1	E1001 V1002 I1004 C1026 I1028 Q1038 M1055	E1001-Y1057 CarbonylContact C-O 3.56Å; E1001-Y1057 WeakPolarHBondContact CA-O 3.4Å; V1002-Y1057 PolarHBondContact N-O 3.2Å; V1002-Y1057 PolarHBondContact O-N 3.16Å; I1004-Y1057 HydrophobicContact CD1-CD2 3.88Å; I1004-Y1057 HydrophobicContact CD1-CE2 3.9Å; C1026-Y1057 HydrophobicContact CB-CE2 4.42Å; C1026-Y1057 WeakPolarHBondContact CB-OH 3.33Å; C1026-Y1057 PolarHBondContact SG-OH 2.99Å; C1026-Y1057 VanDerWaalsContact SG-OH 3.41Å; I1028-Y1057 HydrophobicContact CD1-CD1 4.33Å; I1028-Y1057 HydrophobicContact CD1-CD2 3.83Å; I1028-Y1057 HydrophobicContact CD1-CE2 4.05Å; I1028-Y1057 HydrophobicContact CD1-CG 3.97Å; I1028-Y1057 HydrophobicContact CG1-CD1 3.55Å; I1028-Y1057 HydrophobicContact CG1-CD2 3.97Å; I1028-Y1057 HydrophobicContact CG1-CE1 3.82Å; I1028-Y1057 HydrophobicContact CG1-CE2 4.23Å; I1028-Y1057 HydrophobicContact CG1-CG 3.61Å; Q1038-Y1057 WeakPolarHBondContact CB-OH 3.28Å; Q1038-Y1057 HydrophobicContact CG-CE1 4.14Å; Q1038-Y1057 HydrophobicContact CG-CE2 4.49Å; Q1038-Y1057 PolarHBondContact N-OH 3.03Å; M1055-Y1057 HydrophobicContact CB-CE2 4.05Å
1058	D	91.2	Very high	93	Very high	128 Å²	128	50 Å²	50	68%	0.684	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	167.9	174.9	60.2	-40	0	0	0	111.8
1059	G	87.6	Confident	93	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.6	13	164.4	0	0	0	0	0	116.8	T999 G1000	T999-G1059 WeakPolarHBondContact OG1-CA 3.33Å; G1000-G1059 PolarHBondContact O-N 3.44Å
1060	F	89.8	Confident	93	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.6	175.9	-66.9	-95.9	0	0	0	111.5	Y986 T999 G1000 V1002 I1028 D1064 L1065 A1068	Y986-F1060 HydrophobicContact CE2-CB 4.37Å; T999-F1060 CarbonylContact C-O 3.45Å; T999-F1060 WeakPolarHBondContact CA-O 3.08Å; T999-F1060 WeakPolarHBondContact CB-O 3.28Å; G1000-F1060 PolarHBondContact N-O 2.77Å; G1000-F1060 PolarHBondContact O-N 3.29Å; V1002-F1060 HydrophobicContact CB-CD2 4.05Å; V1002-F1060 HydrophobicContact CB-CE2 3.65Å; V1002-F1060 HydrophobicContact CB-CZ 3.98Å; V1002-F1060 HydrophobicContact CG2-CD1 4.03Å; V1002-F1060 HydrophobicContact CG2-CD2 3.59Å; V1002-F1060 HydrophobicContact CG2-CE1 4.01Å; V1002-F1060 HydrophobicContact CG2-CE2 3.58Å; V1002-F1060 HydrophobicContact CG2-CG 3.81Å; V1002-F1060 HydrophobicContact CG2-CZ 3.78Å; I1028-F1060 HydrophobicContact CD1-CZ 4.11Å; I1028-F1060 HydrophobicContact CG1-CZ 4.04Å; I1028-F1060 HydrophobicContact CG2-CE1 3.99Å; I1028-F1060 HydrophobicContact CG2-CZ 3.71Å; F1060-D1064 HydrophobicContact CD1-CB 4.35Å; F1060-L1065 HydrophobicContact CB-CD2 4.28Å; F1060-L1065 HydrophobicContact CD1-CD2 3.8Å; F1060-L1065 HydrophobicContact CE1-CD2 4.43Å; F1060-L1065 HydrophobicContact CG-CD2 4.22Å; F1060-A1068 HydrophobicContact CE1-CB 4.06Å
1061	R	87.3	Confident	92.9	Very high	75 Å²	75	43.7 Å²	43.7	28%	0.283	23%	0.225	S	C	.	.			trans	-85.6	161.9	156.3	-58.4	-173.6	169.7	158.6	2.8	110.1	E683 T999 E1063 D1064 L1065	E683-R1061 PolarHBondContact O-NH2 2.81Å; T999-R1061 HydrophobicContact CG2-CG 4.08Å; R1061-E1063 WeakPolarHBondContact CB-OE2 3.28Å; R1061-E1063 PolarHBondContact O-N 2.91Å; R1061-E1063 VanDerWaalsContact O-N 3.15Å; R1061-D1064 WeakPolarHBondContact CB-OD2 3.39Å; R1061-D1064 PolarHBondContact N-OD2 3.45Å; R1061-D1064 WeakPolarHBondContact O-CB 3.33Å; R1061-D1064 PolarHBondContact O-N 3.27Å; R1061-L1065 PolarHBondContact O-N 3.22Å
1062	P	86.5	Confident	92.8	Very high	81 Å²	81	42.6 Å²	42.6	53%	0.526	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.2	175.7	-26.1	36	0	0	0	113.4	L1065	P1062-L1065 WeakPolarHBondContact O-CB 3.23Å
1063	E	88.5	Confident	92.7	Very high	120 Å²	120	38.1 Å²	38.1	56%	0.561	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-35	178.1	-52.8	71.2	-149.6	0	0	111.9	R1061 L1065 M1066	R1061-E1063 WeakPolarHBondContact CB-OE2 3.28Å; R1061-E1063 PolarHBondContact O-N 2.91Å; R1061-E1063 VanDerWaalsContact O-N 3.15Å; E1063-L1065 PolarHBondContact O-N 3Å; E1063-M1066 WeakPolarHBondContact O-CB 3.41Å; E1063-M1066 PolarHBondContact O-N 2.87Å; E1063-M1066 VanDerWaalsContact O-N 3.08Å
1064	D	91.3	Very high	92.6	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-27.1	177.1	-67.3	-53.2	0	0	0	111.4	F1060 R1061 M1066 E1067 A1068 Y1098	F1060-D1064 HydrophobicContact CD1-CB 4.35Å; R1061-D1064 WeakPolarHBondContact CB-OD2 3.39Å; R1061-D1064 PolarHBondContact N-OD2 3.45Å; R1061-D1064 WeakPolarHBondContact O-CB 3.33Å; R1061-D1064 PolarHBondContact O-N 3.27Å; D1064-M1066 PolarHBondContact O-N 3.37Å; D1064-E1067 PolarHBondContact O-N 2.87Å; D1064-A1068 WeakPolarHBondContact O-CB 3.45Å; D1064-A1068 PolarHBondContact O-N 3.37Å; D1064-Y1098 PolarHBondContact OD1-OH 2.8Å
1065	L	92.4	Very high	92.3	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-24.7	175.2	-61.7	174.7	0	0	0	113.4	Y986 V1002 F1060 R1061 P1062 E1063 F1092 W1115 M1118 V1119	Y986-L1065 HydrophobicContact CD1-CD1 3.71Å; Y986-L1065 HydrophobicContact CD2-CD1 3.98Å; Y986-L1065 HydrophobicContact CD2-CD2 4.1Å; Y986-L1065 HydrophobicContact CE1-CD1 3.63Å; Y986-L1065 HydrophobicContact CE2-CD1 3.92Å; Y986-L1065 HydrophobicContact CE2-CD2 4.28Å; Y986-L1065 HydrophobicContact CE2-CG 4.47Å; Y986-L1065 HydrophobicContact CG-CD1 3.89Å; V1002-L1065 HydrophobicContact CG2-CD2 3.73Å; F1060-L1065 HydrophobicContact CB-CD2 4.28Å; F1060-L1065 HydrophobicContact CD1-CD2 3.8Å; F1060-L1065 HydrophobicContact CE1-CD2 4.43Å; F1060-L1065 HydrophobicContact CG-CD2 4.22Å; R1061-L1065 PolarHBondContact O-N 3.22Å; P1062-L1065 WeakPolarHBondContact O-CB 3.23Å; E1063-L1065 PolarHBondContact O-N 3Å; L1065-F1092 WeakPolarHBondContact O-CD2 3.3Å; L1065-F1092 VanDerWaalsContact O-CE2 3.28Å; L1065-F1092 WeakPolarHBondContact O-CE2 3.45Å; L1065-W1115 HydrophobicContact CD2-CZ2 4.23Å; L1065-W1115 PolarHBondContact O-NE1 3.07Å; L1065-M1118 HydrophobicContact CD2-CE 4.27Å; L1065-V1119 HydrophobicContact CB-CG2 4.28Å; L1065-V1119 HydrophobicContact CD1-CG2 4.33Å
1066	M	91.9	Very high	92	Very high	121 Å²	121	33.5 Å²	33.5	60%	0.596	17%	0.17	S	C	*	.	H	α-helix	trans	-78.6	-27.8	176.7	-63.3	-174.2	66.8	0	0	112.6	E1063 D1064 F1092	E1063-M1066 WeakPolarHBondContact O-CB 3.41Å; E1063-M1066 PolarHBondContact O-N 2.87Å; E1063-M1066 VanDerWaalsContact O-N 3.08Å; D1064-M1066 PolarHBondContact O-N 3.37Å; M1066-F1092 HydrophobicContact CG-CE2 4.28Å
1067	E	92.5	Very high	91.6	Very high	55 Å²	55	34.9 Å²	34.9	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-109	-8.4	-169.8	-63.2	-78.4	-146.9	0	0	113.4	D1064 S1097 Y1098 M1105	D1064-E1067 PolarHBondContact O-N 2.87Å; E1067-S1097 WeakPolarHBondContact O-CB 3.43Å; E1067-S1097 PolarHBondContact O-OG 3.47Å; E1067-S1097 WeakPolarHBondContact OE2-CA 3.33Å; E1067-Y1098 HydrophobicContact CB-CD1 4.15Å; E1067-Y1098 HydrophobicContact CB-CD2 3.87Å; E1067-Y1098 HydrophobicContact CB-CE1 3.95Å; E1067-Y1098 HydrophobicContact CB-CE2 3.63Å; E1067-Y1098 HydrophobicContact CB-CG 4.12Å; E1067-Y1098 HydrophobicContact CG-CD1 4.18Å; E1067-Y1098 HydrophobicContact CG-CE1 4.26Å; E1067-Y1098 HydrophobicContact CG-CG 4.37Å; E1067-Y1098 WeakPolarHBondContact OE1-CA 3.33Å; E1067-Y1098 PolarHBondContact OE1-N 3.07Å; E1067-Y1098 PolarHBondContact OE2-N 2.85Å; E1067-M1105 WeakPolarHBondContact O-CE 3.25Å
1068	A	93.5	Very high	90.9	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.017	18%	0.183	C	C	.	.			trans	-97.1	160.3	179.3	0	0	0	0	0	114	I1028 L1029 F1060 D1064	I1028-A1068 HydrophobicContact CG2-CB 4.37Å; L1029-A1068 VanDerWaalsContact O-CA 3.32Å; L1029-A1068 WeakPolarHBondContact O-CA 3.38Å; F1060-A1068 HydrophobicContact CE1-CB 4.06Å; D1064-A1068 WeakPolarHBondContact O-CB 3.45Å; D1064-A1068 PolarHBondContact O-N 3.37Å
1069	C	94.3	Very high	90.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.8	174.8	-177.9	0	0	0	0	111.4	L1029 W1104 M1105	L1029-C1069 HydrophobicContact CB-CB 4.43Å; L1029-C1069 PolarHBondContact N-O 3.09Å; L1029-C1069 PolarHBondContact O-N 2.84Å; C1069-W1104 HydrophobicContact CB-CE3 3.83Å; C1069-W1104 HydrophobicContact CB-CZ3 3.64Å; C1069-M1105 HydrophobicContact CB-CE 4.39Å; C1069-M1105 HydrophobicContact CB-SD 3.99Å
1070	V	95.5	Very high	89.7	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109	174.9	173.1	0	0	0	0	109.8	I1004 I1028 L1072 R1089 I1090 W1115	I1004-V1070 HydrophobicContact CD1-CB 4.5Å; I1004-V1070 HydrophobicContact CD1-CG1 3.82Å; I1004-V1070 HydrophobicContact CD1-CG2 3.78Å; I1028-V1070 HydrophobicContact CD1-CG2 3.82Å; V1070-L1072 HydrophobicContact CG1-CD1 4.03Å; V1070-L1072 HydrophobicContact CG1-CG 3.87Å; V1070-R1089 WeakPolarHBondContact O-CA 3.38Å; V1070-I1090 HydrophobicContact CB-CB 4.27Å; V1070-I1090 PolarHBondContact N-O 3.44Å; V1070-I1090 PolarHBondContact O-N 3.44Å; V1070-W1115 HydrophobicContact CG2-CH2 3.96Å; V1070-W1115 HydrophobicContact CG2-CZ3 3.57Å
1071	E	95	Very high	88.8	Confident	4 Å²	4	50 Å²	50	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	108.6	170.6	-172.5	179.4	79.1	0	0	109.8	C1026 T1027 L1029 T1073 R1089 L1135 A1138	C1026-E1071 CarbonylContact C-O 3.52Å; C1026-E1071 WeakPolarHBondContact CA-O 3.33Å; T1027-E1071 PolarHBondContact N-O 2.81Å; T1027-E1071 PolarHBondContact O-N 2.83Å; L1029-E1071 HydrophobicContact CD1-CB 3.96Å; L1029-E1071 HydrophobicContact CG-CB 4.16Å; E1071-T1073 HydrophobicContact CG-CG2 4.14Å; E1071-R1089 HydrophobicContact CG-CG 4.39Å; E1071-R1089 IonicContact OE2-CZ 3.75Å; E1071-R1089 IonicContact OE2-NE 2.62Å; E1071-R1089 PolarHBondContact OE2-NE 2.85Å; E1071-R1089 IonicContact OE2-NH2 3.38Å; E1071-R1089 PolarHBondContact OE2-NH2 3.23Å; E1071-L1135 HydrophobicContact CG-CD1 4.46Å; E1071-A1138 PolarHBondContact OE2-N 3.18Å
1072	L	95.7	Very high	88.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.8	173.8	-77.2	163	0	0	0	109.6	M980 L982 I1004 V1006 V1024 C1026 V1070 G1087 L1088 I1090	M980-L1072 HydrophobicContact SD-CB 4.43Å; M980-L1072 HydrophobicContact SD-CD1 4.09Å; L982-L1072 HydrophobicContact CD1-CD1 4.22Å; L982-L1072 HydrophobicContact CD2-CD1 4.35Å; I1004-L1072 HydrophobicContact CG2-CD1 4.4Å; V1006-L1072 HydrophobicContact CG2-CD2 4.04Å; V1024-L1072 HydrophobicContact CG1-CD2 3.81Å; C1026-L1072 HydrophobicContact CB-CD2 3.78Å; V1070-L1072 HydrophobicContact CG1-CD1 4.03Å; V1070-L1072 HydrophobicContact CG1-CG 3.87Å; L1072-G1087 CarbonylContact O-C 3.27Å; L1072-G1087 WeakPolarHBondContact O-CA 3.32Å; L1072-L1088 HydrophobicContact CB-CB 4.42Å; L1072-L1088 PolarHBondContact N-O 3.03Å; L1072-L1088 PolarHBondContact O-N 3.14Å; L1072-I1090 HydrophobicContact CD1-CD1 3.96Å
1073	T	94.6	Very high	88.5	Confident	8 Å²	8	46 Å²	46	5%	0.049	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.8	-177.7	54	0	0	0	0	112	V1024 K1025 E1071 W1075 F1084 L1135	V1024-T1073 CarbonylContact C-O 3.48Å; V1024-T1073 WeakPolarHBondContact CA-O 3.17Å; K1025-T1073 PolarHBondContact N-O 3.1Å; K1025-T1073 PolarHBondContact O-N 3.04Å; K1025-T1073 PolarHBondContact O-OG1 3.37Å; E1071-T1073 HydrophobicContact CG-CG2 4.14Å; T1073-W1075 VanDerWaalsContact CB-NE1 3.34Å; T1073-W1075 PolarHBondContact OG1-NE1 2.63Å; T1073-F1084 HydrophobicContact CG2-CE2 3.84Å; T1073-L1135 HydrophobicContact CG2-CD1 4.4Å
1074	V	94.4	Very high	88.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.2	179.9	-164.1	0	0	0	0	110.3	M980 L1012 V1024 F1084 L1085 G1086 L1132	M980-V1074 HydrophobicContact CE-CG2 3.4Å; L1012-V1074 HydrophobicContact CD1-CG1 3.92Å; L1012-V1074 HydrophobicContact CD2-CG1 4.12Å; V1024-V1074 HydrophobicContact CG2-CG2 4.26Å; V1074-F1084 WeakPolarHBondContact O-CD2 3.28Å; V1074-L1085 HydrophobicContact CB-CB 4.37Å; V1074-L1085 HydrophobicContact CG1-CB 4.47Å; V1074-L1085 HydrophobicContact CG1-CD1 4.14Å; V1074-L1085 PolarHBondContact O-N 2.97Å; V1074-G1086 PolarHBondContact N-O 2.99Å; V1074-L1132 HydrophobicContact CG2-CD1 3.93Å; V1074-L1132 HydrophobicContact CG2-CD2 3.85Å
1075	W	92.2	Very high	88.2	Confident	25 Å²	25	40.4 Å²	40.4	10%	0.095	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.3	-175.4	-59.5	77.6	0	0	0	111.4	S1022 F1023 K1025 T1073 N1082 Q1083 F1084 I1137	S1022-W1075 CarbonylContact C-O 3.53Å; S1022-W1075 VanDerWaalsContact CA-O 3.28Å; S1022-W1075 WeakPolarHBondContact CA-O 3.36Å; F1023-W1075 HydrophobicContact CD1-CB 3.99Å; F1023-W1075 WeakPolarHBondContact CD1-O 3.23Å; F1023-W1075 HydrophobicContact CE1-CB 3.59Å; F1023-W1075 HydrophobicContact CE2-CB 4.35Å; F1023-W1075 HydrophobicContact CZ-CB 3.81Å; F1023-W1075 HydrophobicContact CZ-CG 4.34Å; F1023-W1075 PolarHBondContact N-O 3.35Å; F1023-W1075 PolarHBondContact O-N 3.09Å; K1025-W1075 VanDerWaalsContact NZ-CE2 3.31Å; K1025-W1075 VanDerWaalsContact NZ-NE1 3.16Å; T1073-W1075 VanDerWaalsContact CB-NE1 3.34Å; T1073-W1075 PolarHBondContact OG1-NE1 2.63Å; W1075-N1082 HydrophobicContact CE3-CB 3.97Å; W1075-Q1083 CarbonylContact C-O 3.49Å; W1075-Q1083 VanDerWaalsContact CA-O 3.27Å; W1075-Q1083 WeakPolarHBondContact CA-O 3.3Å; W1075-F1084 HydrophobicContact CD2-CB 4.37Å; W1075-F1084 HydrophobicContact CD2-CD2 4.32Å; W1075-F1084 AromaticContact CE2-CD2 3.98Å; W1075-F1084 HydrophobicContact CE3-CB 3.97Å; W1075-F1084 HydrophobicContact CH2-CB 4.1Å; W1075-F1084 HydrophobicContact CH2-CD2 4.48Å; W1075-F1084 HydrophobicContact CZ2-CB 4.49Å; W1075-F1084 HydrophobicContact CZ2-CD2 4.07Å; W1075-F1084 HydrophobicContact CZ3-CB 3.83Å; W1075-I1137 HydrophobicContact CH2-CD1 3.72Å; W1075-I1137 HydrophobicContact CZ2-CD1 3.71Å
1076	D	89.8	Confident	88.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.9	163.1	169.7	48.7	0	0	0	110.9	L1020 N1021 N1082 Q1083 L1085	L1020-D1076 HydrophobicContact CD2-CB 4.04Å; N1021-D1076 PolarHBondContact N-OD1 3.17Å; D1076-N1082 CarbonylContact O-C 3.52Å; D1076-N1082 VanDerWaalsContact O-CA 3.26Å; D1076-N1082 WeakPolarHBondContact O-CA 3.26Å; D1076-Q1083 HydrophobicContact CB-CB 4.39Å; D1076-Q1083 PolarHBondContact N-O 3.16Å; D1076-Q1083 PolarHBondContact O-N 2.84Å; D1076-L1085 HydrophobicContact CB-CD1 4.25Å; D1076-L1085 HydrophobicContact CB-CD2 4.04Å; D1076-L1085 HydrophobicContact CB-CG 4.31Å
1077	H	86.7	Confident	88.2	Confident	85 Å²	85	34.5 Å²	34.5	39%	0.394	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	88	176.2	-173.4	-77.5	0	0	0	111.6	N1021 F1023 K1079 N1082	N1021-H1077 HydrophobicContact CB-CB 4.08Å; N1021-H1077 PolarHBondContact ND2-O 3.37Å; N1021-H1077 WeakPolarHBondContact O-CB 3.26Å; N1021-H1077 PolarHBondContact O-N 3.13Å; F1023-H1077 HydrophobicContact CD1-CB 4.15Å; F1023-H1077 HydrophobicContact CE1-CB 3.96Å; H1077-K1079 PolarHBondContact CE1-O 3.42Å; H1077-N1082 PolarHBondContact CD2-OD1 2.66Å
1078	Y	78.3	Confident	88.3	Confident	72 Å²	72	31.9 Å²	31.9	28%	0.282	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	105.1	-179.4	-170.2	-89.9	0	0	0	113.1	R1016 L1080 T1081	R1016-Y1078 HydrophobicContact CG-CD2 4.17Å; R1016-Y1078 HydrophobicContact CG-CE2 4.3Å; R1016-Y1078 HydrophobicContact CG-CG 4.31Å; Y1078-L1080 PolarHBondContact O-N 3.03Å; Y1078-T1081 CarbonylContact C-O 3.53Å; Y1078-T1081 PolarHBondContact N-O 2.99Å; Y1078-T1081 VanDerWaalsContact N-O 3.15Å; Y1078-T1081 PolarHBondContact O-N 3.31Å; Y1078-T1081 PolarHBondContact O-OG1 2.64Å
1079	K	77.5	Confident	88.4	Confident	151 Å²	151	32 Å²	32	66%	0.657	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	-100.7	-178.1	-62.4	-163.6	176.1	-156.7	0	112.8	H1077	H1077-K1079 PolarHBondContact CE1-O 3.42Å
1080	L	75.9	Confident	88.5	Confident	175 Å²	175	32 Å²	32	92%	0.916	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	3.7	-178.6	-64.7	170.3	0	0	0	112.9	Y1078	Y1078-L1080 PolarHBondContact O-N 3.03Å
1081	T	71.7	Confident	88.5	Confident	67 Å²	67	32 Å²	32	41%	0.411	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.2	-173	53.1	0	0	0	0	111.3	Y1078	Y1078-T1081 CarbonylContact C-O 3.53Å; Y1078-T1081 PolarHBondContact N-O 2.99Å; Y1078-T1081 VanDerWaalsContact N-O 3.15Å; Y1078-T1081 PolarHBondContact O-N 3.31Å; Y1078-T1081 PolarHBondContact O-OG1 2.64Å
1082	N	83.7	Confident	88.5	Confident	58 Å²	58	34.1 Å²	34.1	31%	0.31	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.1	170.1	-61.7	-67.6	0	0	0	110.2	F1023 W1075 D1076 H1077	F1023-N1082 VanDerWaalsContact CE1-OD1 3.27Å; F1023-N1082 WeakPolarHBondContact CE1-OD1 3.29Å; F1023-N1082 WeakPolarHBondContact CZ-OD1 3.47Å; W1075-N1082 HydrophobicContact CE3-CB 3.97Å; D1076-N1082 CarbonylContact O-C 3.52Å; D1076-N1082 VanDerWaalsContact O-CA 3.26Å; D1076-N1082 WeakPolarHBondContact O-CA 3.26Å; H1077-N1082 PolarHBondContact CD2-OD1 2.66Å
1083	Q	82.4	Confident	88.3	Confident	12 Å²	12	35.5 Å²	35.5	6%	0.056	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.3	178.2	178.5	154.1	-12.7	0	0	110	L1015 R1016 W1075 D1076	L1015-Q1083 HydrophobicContact CD1-CG 4.4Å; R1016-Q1083 VanDerWaalsContact NH1-OE1 3.13Å; W1075-Q1083 CarbonylContact C-O 3.49Å; W1075-Q1083 VanDerWaalsContact CA-O 3.27Å; W1075-Q1083 WeakPolarHBondContact CA-O 3.3Å; D1076-Q1083 HydrophobicContact CB-CB 4.39Å; D1076-Q1083 PolarHBondContact N-O 3.16Å; D1076-Q1083 PolarHBondContact O-N 2.84Å
1084	F	86.7	Confident	88.2	Confident	10 Å²	10	39 Å²	39	4%	0.044	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.1	176.4	179.3	-117.7	0	0	0	110.1	M824 T1073 V1074 W1075 G1086 M1134 L1135	M824-F1084 HydrophobicContact CE-CB 4.03Å; M824-F1084 HydrophobicContact CE-CD1 4.14Å; T1073-F1084 HydrophobicContact CG2-CE2 3.84Å; V1074-F1084 WeakPolarHBondContact O-CD2 3.28Å; W1075-F1084 HydrophobicContact CD2-CB 4.37Å; W1075-F1084 HydrophobicContact CD2-CD2 4.32Å; W1075-F1084 AromaticContact CE2-CD2 3.98Å; W1075-F1084 HydrophobicContact CE3-CB 3.97Å; W1075-F1084 HydrophobicContact CH2-CB 4.1Å; W1075-F1084 HydrophobicContact CH2-CD2 4.48Å; W1075-F1084 HydrophobicContact CZ2-CB 4.49Å; W1075-F1084 HydrophobicContact CZ2-CD2 4.07Å; W1075-F1084 HydrophobicContact CZ3-CB 3.83Å; F1084-G1086 VanDerWaalsContact CE2-C 3.4Å; F1084-G1086 WeakPolarHBondContact CE2-O 3.15Å; F1084-M1134 HydrophobicContact CD1-CE 4.39Å; F1084-M1134 HydrophobicContact CD1-SD 4.04Å; F1084-M1134 HydrophobicContact CE1-CE 4.31Å; F1084-M1134 HydrophobicContact CE1-SD 3.73Å; F1084-L1135 HydrophobicContact CZ-CB 4.22Å
1085	L	88.2	Confident	87.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-52	179	-57.1	-177.2	0	0	0	110.7	R977 L1012 L1015 L1020 V1074 D1076	R977-L1085 WeakPolarHBondContact CD-O 3.38Å; R977-L1085 PolarHBondContact NH1-O 3.05Å; L1012-L1085 HydrophobicContact CB-CD1 4.26Å; L1012-L1085 HydrophobicContact CD1-CD1 4.04Å; L1015-L1085 HydrophobicContact CD1-CD2 3.9Å; L1015-L1085 HydrophobicContact CG-CD2 4.21Å; L1020-L1085 HydrophobicContact CD1-CD1 4.04Å; L1020-L1085 HydrophobicContact CD2-CD2 4.44Å; V1074-L1085 HydrophobicContact CB-CB 4.37Å; V1074-L1085 HydrophobicContact CG1-CB 4.47Å; V1074-L1085 HydrophobicContact CG1-CD1 4.14Å; V1074-L1085 PolarHBondContact O-N 2.97Å; D1076-L1085 HydrophobicContact CB-CD1 4.25Å; D1076-L1085 HydrophobicContact CB-CD2 4.04Å; D1076-L1085 HydrophobicContact CB-CG 4.31Å
1086	G	90.4	Very high	87.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	179	178.5	0	0	0	0	0	111.2	V1074 F1084 R1133	V1074-G1086 PolarHBondContact N-O 2.99Å; F1084-G1086 VanDerWaalsContact CE2-C 3.4Å; F1084-G1086 WeakPolarHBondContact CE2-O 3.15Å; G1086-R1133 CarbonylContact C-O 3.57Å; G1086-R1133 WeakPolarHBondContact CA-O 3.35Å
1087	G	93.4	Very high	87.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	176	179.2	0	0	0	0	0	114.6	L1072 R1133	L1072-G1087 CarbonylContact O-C 3.27Å; L1072-G1087 WeakPolarHBondContact O-CA 3.32Å; G1087-R1133 PolarHBondContact N-O 3.24Å; G1087-R1133 PolarHBondContact O-N 2.89Å
1088	L	95.2	Very high	88.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.9	178.7	-58.1	174.3	0	0	0	110.7	M980 L982 L1072 I1090 E1111 L1130 P1131 L1132	M980-L1088 HydrophobicContact CB-CD1 4.08Å; M980-L1088 HydrophobicContact SD-CD1 4.21Å; L982-L1088 HydrophobicContact CD2-CD1 3.63Å; L1072-L1088 HydrophobicContact CB-CB 4.42Å; L1072-L1088 PolarHBondContact N-O 3.03Å; L1072-L1088 PolarHBondContact O-N 3.14Å; L1088-I1090 HydrophobicContact CB-CD1 4.28Å; L1088-I1090 HydrophobicContact CB-CG1 4.07Å; L1088-I1090 HydrophobicContact CD1-CD1 4.17Å; L1088-E1111 VanDerWaalsContact CA-OE1 3.26Å; L1088-E1111 WeakPolarHBondContact CA-OE1 3.42Å; L1088-E1111 WeakPolarHBondContact CB-OE1 3.34Å; L1088-L1130 HydrophobicContact CD1-CB 3.76Å; L1088-L1130 HydrophobicContact CD1-CD1 4.01Å; L1088-L1130 HydrophobicContact CD2-CB 3.84Å; L1088-L1130 HydrophobicContact CG-CB 4.47Å; L1088-P1131 VanDerWaalsContact CD2-O 3.22Å; L1088-P1131 WeakPolarHBondContact CD2-O 3.46Å; L1088-L1132 HydrophobicContact CD2-CD2 4.34Å; L1088-L1132 HydrophobicContact CG-CD2 4.08Å
1089	R	95.4	Very high	88.6	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.011	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	108.1	169.8	-79.1	175.2	173.3	168.4	-2.4	109.5	V1070 E1071 D1103 W1104 D1106 S1107 E1111 L1135 L1136	V1070-R1089 WeakPolarHBondContact O-CA 3.38Å; E1071-R1089 HydrophobicContact CG-CG 4.39Å; E1071-R1089 IonicContact OE2-CZ 3.75Å; E1071-R1089 IonicContact OE2-NE 2.62Å; E1071-R1089 PolarHBondContact OE2-NE 2.85Å; E1071-R1089 IonicContact OE2-NH2 3.38Å; E1071-R1089 PolarHBondContact OE2-NH2 3.23Å; R1089-D1103 PolarHBondContact NH1-O 3.21Å; R1089-W1104 WeakPolarHBondContact CD-O 3.17Å; R1089-D1106 WeakPolarHBondContact CD-OD1 3.48Å; R1089-D1106 IonicContact CZ-OD1 3.8Å; R1089-D1106 IonicContact NE-OD1 2.78Å; R1089-D1106 IonicContact NH1-OD1 2.78Å; R1089-D1106 PolarHBondContact NH1-OD1 3.08Å; R1089-D1106 IonicContact NH1-OD2 3.76Å; R1089-S1107 WeakPolarHBondContact O-CB 3.39Å; R1089-S1107 PolarHBondContact O-OG 3.26Å; R1089-S1107 VanDerWaalsContact O-OG 3.12Å; R1089-E1111 PolarHBondContact N-OE1 2.74Å; R1089-E1111 WeakPolarHBondContact O-CB 3.43Å; R1089-L1135 HydrophobicContact CG-CD1 3.94Å; R1089-L1135 HydrophobicContact CG-CD2 4.28Å; R1089-L1136 PolarHBondContact NH2-O 3.31Å
1090	I	96.8	Very high	89.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.2	-168.2	-43.1	178.3	0	0	0	108.3	L982 L984 V1070 L1072 L1088 E1111 L1114 W1115 L1130	L982-I1090 HydrophobicContact CD1-CD1 3.72Å; L982-I1090 HydrophobicContact CD2-CD1 4.07Å; L984-I1090 HydrophobicContact CD1-CG2 3.98Å; V1070-I1090 HydrophobicContact CB-CB 4.27Å; V1070-I1090 PolarHBondContact N-O 3.44Å; V1070-I1090 PolarHBondContact O-N 3.44Å; L1072-I1090 HydrophobicContact CD1-CD1 3.96Å; L1088-I1090 HydrophobicContact CB-CD1 4.28Å; L1088-I1090 HydrophobicContact CB-CG1 4.07Å; L1088-I1090 HydrophobicContact CD1-CD1 4.17Å; I1090-E1111 HydrophobicContact CG1-CG 4.42Å; I1090-E1111 WeakPolarHBondContact CG2-O 3.38Å; I1090-L1114 HydrophobicContact CD1-CD2 4.24Å; I1090-L1114 HydrophobicContact CG2-CB 4.41Å; I1090-L1114 HydrophobicContact CG2-CD2 4.23Å; I1090-L1114 HydrophobicContact CG2-CG 4.47Å; I1090-W1115 HydrophobicContact CG2-CB 4.23Å; I1090-W1115 HydrophobicContact CG2-CE3 4.17Å; I1090-L1130 HydrophobicContact CD1-CD1 4.07Å; I1090-L1130 HydrophobicContact CG1-CD1 4.48Å
1091	G	95.5	Very high	89.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-180	-166.6	0	0	0	0	0	109.9	G1093 S1107 V1112 W1115	G1091-G1093 VanDerWaalsContact C-N 3.28Å; G1091-G1093 PolarHBondContact O-N 2.8Å; G1091-S1107 PolarHBondContact N-OG 3.42Å; G1091-S1107 VanDerWaalsContact O-CB 3.25Å; G1091-S1107 WeakPolarHBondContact O-CB 3.14Å; G1091-S1107 PolarHBondContact O-OG 3.34Å; G1091-V1112 WeakPolarHBondContact O-CG2 3.19Å; G1091-W1115 VanDerWaalsContact CA-CG 3.49Å
1092	F	94.2	Very high	90.4	Very high	50 Å²	50	35.9 Å²	35.9	22%	0.219	21%	0.213	C	C	.	.			trans	-72.5	-3.9	-173.7	-80.2	-79.6	0	0	0	116.8	L1065 M1066 T1094 W1115 E1116 V1119	L1065-F1092 WeakPolarHBondContact O-CD2 3.3Å; L1065-F1092 VanDerWaalsContact O-CE2 3.28Å; L1065-F1092 WeakPolarHBondContact O-CE2 3.45Å; M1066-F1092 HydrophobicContact CG-CE2 4.28Å; F1092-T1094 HydrophobicContact CB-CG2 3.88Å; F1092-T1094 PolarHBondContact O-N 2.85Å; F1092-T1094 VanDerWaalsContact O-N 3.11Å; F1092-W1115 AromaticContact CD2-CD1 3.34Å; F1092-W1115 AromaticContact CD2-NE1 3.36Å; F1092-W1115 AromaticContact CE2-CD1 3.41Å; F1092-W1115 VanDerWaalsContact CE2-CD1 3.41Å; F1092-W1115 AromaticContact CE2-NE1 3.4Å; F1092-W1115 AromaticContact CG-CD1 3.88Å; F1092-E1116 HydrophobicContact CD1-CG 4.21Å; F1092-E1116 HydrophobicContact CE1-CG 3.79Å; F1092-V1119 HydrophobicContact CE2-CG2 4.16Å; F1092-V1119 HydrophobicContact CZ-CB 4.46Å; F1092-V1119 HydrophobicContact CZ-CG1 4.44Å; F1092-V1119 HydrophobicContact CZ-CG2 4.13Å
1093	G	91.8	Very high	90.4	Very high	29 Å²	29	37.1 Å²	37.1	30%	0.299	22%	0.22	S	C	.	.			trans	65.8	16.5	171.1	0	0	0	0	0	116	G1091 G1095 M1105	G1091-G1093 VanDerWaalsContact C-N 3.28Å; G1091-G1093 PolarHBondContact O-N 2.8Å; G1093-G1095 PolarHBondContact O-N 2.88Å; G1093-M1105 CarbonylContact C-O 3.54Å; G1093-M1105 VanDerWaalsContact C-O 3.25Å; G1093-M1105 WeakPolarHBondContact CA-O 3.42Å
1094	T	91.9	Very high	90.7	Very high	82 Å²	82	37.7 Å²	37.7	50%	0.503	22%	0.222	S	C	.	.			trans	-71	-7	-172.3	64	0	0	0	0	115.2	F1092 K1096 M1105	F1092-T1094 HydrophobicContact CB-CG2 3.88Å; F1092-T1094 PolarHBondContact O-N 2.85Å; F1092-T1094 VanDerWaalsContact O-N 3.11Å; T1094-K1096 PolarHBondContact O-N 3.2Å; T1094-K1096 VanDerWaalsContact O-N 3.16Å; T1094-K1096 PolarHBondContact OG1-N 2.94Å; T1094-K1096 PolarHBondContact OG1-O 3.18Å; T1094-M1105 WeakPolarHBondContact OG1-CG 3.22Å
1095	G	89	Confident	90.9	Very high	30 Å²	30	37.3 Å²	37.3	31%	0.309	22%	0.22	S	C	.	.	S	Bend	trans	65.5	4.9	-168.9	0	0	0	0	0	115	G1093 V1102 M1105	G1093-G1095 PolarHBondContact O-N 2.88Å; G1095-V1102 PolarHBondContact O-N 2.91Å; G1095-M1105 PolarHBondContact N-O 2.93Å; G1095-M1105 VanDerWaalsContact N-O 3.12Å
1096	K	90.5	Very high	91	Very high	92 Å²	92	40.2 Å²	40.2	40%	0.4	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.1	-177.5	-52.6	-161	-172.5	-151.3	0	111.5	T1094 T1100 E1101 M1105	T1094-K1096 PolarHBondContact O-N 3.2Å; T1094-K1096 VanDerWaalsContact O-N 3.16Å; T1094-K1096 PolarHBondContact OG1-N 2.94Å; T1094-K1096 PolarHBondContact OG1-O 3.18Å; K1096-T1100 CarbonylContact C-O 3.41Å; K1096-T1100 WeakPolarHBondContact CA-O 3.06Å; K1096-E1101 HydrophobicContact CD-CG 3.95Å; K1096-E1101 HydrophobicContact CG-CG 4.07Å; K1096-E1101 IonicContact NZ-OE1 2.63Å; K1096-E1101 PolarHBondContact NZ-OE1 2.86Å; K1096-M1105 WeakPolarHBondContact O-CE 3.45Å
1097	S	90.9	Very high	91.2	Very high	6 Å²	6	41 Å²	41	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	125.8	174.7	178.5	0	0	0	0	110	E1067 G1099 T1100 W1104	E1067-S1097 WeakPolarHBondContact O-CB 3.43Å; E1067-S1097 PolarHBondContact O-OG 3.47Å; E1067-S1097 WeakPolarHBondContact OE2-CA 3.33Å; S1097-G1099 VanDerWaalsContact C-N 3.28Å; S1097-G1099 PolarHBondContact O-N 3.38Å; S1097-T1100 PolarHBondContact N-O 3.46Å; S1097-T1100 WeakPolarHBondContact O-CB 3.27Å; S1097-T1100 PolarHBondContact O-N 2.72Å; S1097-W1104 VanDerWaalsContact OG-CH2 3.22Å; S1097-W1104 WeakPolarHBondContact OG-CH2 3.1Å
1098	Y	90.8	Very high	91.2	Very high	59 Å²	59	43.2 Å²	43.2	23%	0.231	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	52.8	-172.2	-59.2	-88	0	0	0	111.2	V687 L688 P1030 D1064 E1067 T1100	V687-Y1098 HydrophobicContact CG1-CE2 4.12Å; V687-Y1098 WeakPolarHBondContact CG1-OH 3.42Å; L688-Y1098 HydrophobicContact CD2-CD1 4.5Å; L688-Y1098 HydrophobicContact CD2-CE1 4.43Å; P1030-Y1098 HydrophobicContact CG-CD2 4.16Å; P1030-Y1098 HydrophobicContact CG-CE2 3.75Å; D1064-Y1098 PolarHBondContact OD1-OH 2.8Å; E1067-Y1098 HydrophobicContact CB-CD1 4.15Å; E1067-Y1098 HydrophobicContact CB-CD2 3.87Å; E1067-Y1098 HydrophobicContact CB-CE1 3.95Å; E1067-Y1098 HydrophobicContact CB-CE2 3.63Å; E1067-Y1098 HydrophobicContact CB-CG 4.12Å; E1067-Y1098 HydrophobicContact CG-CD1 4.18Å; E1067-Y1098 HydrophobicContact CG-CE1 4.26Å; E1067-Y1098 HydrophobicContact CG-CG 4.37Å; E1067-Y1098 WeakPolarHBondContact OE1-CA 3.33Å; E1067-Y1098 PolarHBondContact OE1-N 3.07Å; E1067-Y1098 PolarHBondContact OE2-N 2.85Å; Y1098-T1100 PolarHBondContact O-N 2.86Å
1099	G	88.1	Confident	91.1	Very high	65 Å²	65	48 Å²	48	67%	0.67	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	-4.7	-176.7	0	0	0	0	0	116.7	S1097	S1097-G1099 VanDerWaalsContact C-N 3.28Å; S1097-G1099 PolarHBondContact O-N 3.38Å
1100	T	87.9	Confident	91.1	Very high	88 Å²	88	52.7 Å²	52.7	54%	0.54	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.8	-177.3	-55.3	0	0	0	0	111.1	K1096 S1097 Y1098	K1096-T1100 CarbonylContact C-O 3.41Å; K1096-T1100 WeakPolarHBondContact CA-O 3.06Å; S1097-T1100 PolarHBondContact N-O 3.46Å; S1097-T1100 WeakPolarHBondContact O-CB 3.27Å; S1097-T1100 PolarHBondContact O-N 2.72Å; Y1098-T1100 PolarHBondContact O-N 2.86Å
1101	E	88.5	Confident	91.1	Very high	134 Å²	134	52.8 Å²	52.8	63%	0.626	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.6	173	-75.9	167.1	-175.4	0	0	111.3	K1096	K1096-E1101 HydrophobicContact CD-CG 3.95Å; K1096-E1101 HydrophobicContact CG-CG 4.07Å; K1096-E1101 IonicContact NZ-OE1 2.63Å; K1096-E1101 PolarHBondContact NZ-OE1 2.86Å
1102	V	87.1	Confident	91.2	Very high	34 Å²	34	53.9 Å²	53.9	21%	0.206	32%	0.317	C	S	.	.			trans	-138	143.7	-171.9	-70	0	0	0	0	113.2	G1095 W1104 M1105	G1095-V1102 PolarHBondContact O-N 2.91Å; V1102-W1104 VanDerWaalsContact C-N 3.26Å; V1102-W1104 HydrophobicContact CB-CD2 4.26Å; V1102-W1104 HydrophobicContact CB-CG 4.35Å; V1102-W1104 HydrophobicContact CB-CZ2 4.23Å; V1102-W1104 HydrophobicContact CG1-CZ2 3.98Å; V1102-W1104 HydrophobicContact CG2-CD2 4.17Å; V1102-W1104 HydrophobicContact CG2-CZ2 4.09Å; V1102-W1104 PolarHBondContact O-N 3.34Å; V1102-M1105 HydrophobicContact CG2-CB 3.7Å
1103	D	84.6	Confident	91.3	Very high	85 Å²	85	53 Å²	53	46%	0.455	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.6	-178.5	63.9	-30.3	0	0	0	114.5	R1089 S1141	R1089-D1103 PolarHBondContact NH1-O 3.21Å; D1103-S1141 PolarHBondContact OD1-OG 3.23Å; D1103-S1141 WeakPolarHBondContact OD2-CB 3.16Å; D1103-S1141 PolarHBondContact OD2-OG 3.47Å
1104	W	87.9	Confident	91.5	Very high	24 Å²	24	51.9 Å²	51.9	9%	0.091	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-0.8	-174.5	57.8	-100.8	0	0	0	115	L1029 P1030 C1069 R1089 S1097 V1102 D1106 A1138	L1029-W1104 HydrophobicContact CB-CD2 3.92Å; L1029-W1104 HydrophobicContact CB-CE3 3.49Å; L1029-W1104 VanDerWaalsContact CB-CE3 3.49Å; L1029-W1104 HydrophobicContact CB-CH2 3.86Å; L1029-W1104 HydrophobicContact CB-CZ2 4.27Å; L1029-W1104 HydrophobicContact CB-CZ3 3.47Å; L1029-W1104 VanDerWaalsContact CB-CZ3 3.47Å; L1029-W1104 HydrophobicContact CD1-CB 3.73Å; L1029-W1104 HydrophobicContact CD1-CD2 3.66Å; L1029-W1104 HydrophobicContact CD1-CE3 3.62Å; L1029-W1104 HydrophobicContact CD1-CG 3.73Å; L1029-W1104 HydrophobicContact CD1-CZ3 4.46Å; L1029-W1104 HydrophobicContact CG-CD2 4.4Å; L1029-W1104 HydrophobicContact CG-CE3 4.2Å; P1030-W1104 HydrophobicContact CB-CH2 4.04Å; P1030-W1104 HydrophobicContact CB-CZ2 3.82Å; C1069-W1104 HydrophobicContact CB-CE3 3.83Å; C1069-W1104 HydrophobicContact CB-CZ3 3.64Å; R1089-W1104 WeakPolarHBondContact CD-O 3.17Å; S1097-W1104 VanDerWaalsContact OG-CH2 3.22Å; S1097-W1104 WeakPolarHBondContact OG-CH2 3.1Å; V1102-W1104 VanDerWaalsContact C-N 3.26Å; V1102-W1104 HydrophobicContact CB-CD2 4.26Å; V1102-W1104 HydrophobicContact CB-CG 4.35Å; V1102-W1104 HydrophobicContact CB-CZ2 4.23Å; V1102-W1104 HydrophobicContact CG1-CZ2 3.98Å; V1102-W1104 HydrophobicContact CG2-CD2 4.17Å; V1102-W1104 HydrophobicContact CG2-CZ2 4.09Å; V1102-W1104 PolarHBondContact O-N 3.34Å; W1104-D1106 WeakPolarHBondContact CA-OD1 3.27Å; W1104-D1106 PolarHBondContact O-N 2.99Å; W1104-A1138 HydrophobicContact CB-CB 3.97Å; W1104-A1138 HydrophobicContact CG-CB 4.22Å
1105	M	90.8	Very high	91.8	Very high	2 Å²	2	48 Å²	48	1%	0.01	28%	0.282	C	S	.	.			trans	-93.1	51.6	169.6	-167.5	68.1	87.6	0	0	109.4	E1067 C1069 G1093 T1094 G1095 K1096 V1102	E1067-M1105 WeakPolarHBondContact O-CE 3.25Å; C1069-M1105 HydrophobicContact CB-CE 4.39Å; C1069-M1105 HydrophobicContact CB-SD 3.99Å; G1093-M1105 CarbonylContact C-O 3.54Å; G1093-M1105 VanDerWaalsContact C-O 3.25Å; G1093-M1105 WeakPolarHBondContact CA-O 3.42Å; T1094-M1105 WeakPolarHBondContact OG1-CG 3.22Å; G1095-M1105 PolarHBondContact N-O 2.93Å; G1095-M1105 VanDerWaalsContact N-O 3.12Å; K1096-M1105 WeakPolarHBondContact O-CE 3.45Å; V1102-M1105 HydrophobicContact CG2-CB 3.7Å
1106	D	91.2	Very high	92.2	Very high	61 Å²	61	50.6 Å²	50.6	33%	0.326	29%	0.287	S	S	.	.			trans	-108.1	38.3	-173.9	68.8	-68.8	0	0	0	113	R1089 W1104 R1133	R1089-D1106 WeakPolarHBondContact CD-OD1 3.48Å; R1089-D1106 IonicContact CZ-OD1 3.8Å; R1089-D1106 IonicContact NE-OD1 2.78Å; R1089-D1106 IonicContact NH1-OD1 2.78Å; R1089-D1106 PolarHBondContact NH1-OD1 3.08Å; R1089-D1106 IonicContact NH1-OD2 3.76Å; W1104-D1106 WeakPolarHBondContact CA-OD1 3.27Å; W1104-D1106 PolarHBondContact O-N 2.99Å; D1106-R1133 PolarHBondContact O-NH1 3.24Å; D1106-R1133 PolarHBondContact O-NH2 3.23Å; D1106-R1133 IonicContact OD2-CZ 3.45Å; D1106-R1133 IonicContact OD2-NH1 2.73Å; D1106-R1133 PolarHBondContact OD2-NH1 2.9Å; D1106-R1133 IonicContact OD2-NH2 3.18Å; D1106-R1133 PolarHBondContact OD2-NH2 3.22Å
1107	S	93.9	Very high	92.4	Very high	16 Å²	16	52 Å²	52	11%	0.112	29%	0.292	C	S	.	.			trans	-61	137	177	-49	0	0	0	0	112.2	R1089 G1091 E1111	R1089-S1107 WeakPolarHBondContact O-CB 3.39Å; R1089-S1107 PolarHBondContact O-OG 3.26Å; R1089-S1107 VanDerWaalsContact O-OG 3.12Å; G1091-S1107 PolarHBondContact N-OG 3.42Å; G1091-S1107 VanDerWaalsContact O-CB 3.25Å; G1091-S1107 WeakPolarHBondContact O-CB 3.14Å; G1091-S1107 PolarHBondContact O-OG 3.34Å; S1107-E1111 WeakPolarHBondContact CA-OE2 3.5Å
1108	T	92.6	Very high	92.7	Very high	47 Å²	47	51.7 Å²	51.7	29%	0.288	29%	0.29	S	S	.	.			trans	-71.2	167	168.9	67.4	0	0	0	0	111.6	E1110 E1111 V1112	T1108-E1110 PolarHBondContact O-N 3.39Å; T1108-E1111 PolarHBondContact N-OE2 3.33Å; T1108-E1111 PolarHBondContact O-N 3Å; T1108-E1111 VanDerWaalsContact O-N 3.15Å; T1108-E1111 WeakPolarHBondContact OG1-CG 3.4Å; T1108-E1111 PolarHBondContact OG1-N 3.28Å; T1108-E1111 PolarHBondContact OG1-OE2 2.94Å; T1108-V1112 WeakPolarHBondContact O-CB 3.19Å; T1108-V1112 VanDerWaalsContact O-CG2 3.3Å; T1108-V1112 WeakPolarHBondContact O-CG2 3.46Å; T1108-V1112 PolarHBondContact O-N 2.83Å
1109	S	94	Very high	92.9	Very high	101 Å²	101	51 Å²	51	71%	0.706	29%	0.292	S	S	*	.	H	α-helix	trans	-53.5	-34.7	173.9	44.7	0	0	0	0	113.8	A1113	S1109-A1113 WeakPolarHBondContact O-CB 3.34Å; S1109-A1113 PolarHBondContact O-N 3.26Å
1110	E	94.9	Very high	93.2	Very high	101 Å²	101	54 Å²	54	47%	0.472	29%	0.293	S	S	.	.	H	α-helix	trans	-75.8	-40.8	177.9	-57.6	-179.7	161.4	0	0	112.2	T1108 A1113 L1114 L1130 P1131	T1108-E1110 PolarHBondContact O-N 3.39Å; E1110-A1113 PolarHBondContact O-N 2.96Å; E1110-L1114 PolarHBondContact O-N 2.88Å; E1110-L1130 HydrophobicContact CB-CD2 3.53Å; E1110-P1131 VanDerWaalsContact OE2-CD 3.24Å; E1110-P1131 WeakPolarHBondContact OE2-CD 2.76Å
1111	E	96.7	Very high	93.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-42.4	173.9	-71.4	169.6	142.6	0	0	111.1	L1088 R1089 I1090 S1107 T1108 L1114 W1115 L1130 R1133	L1088-E1111 VanDerWaalsContact CA-OE1 3.26Å; L1088-E1111 WeakPolarHBondContact CA-OE1 3.42Å; L1088-E1111 WeakPolarHBondContact CB-OE1 3.34Å; R1089-E1111 PolarHBondContact N-OE1 2.74Å; R1089-E1111 WeakPolarHBondContact O-CB 3.43Å; I1090-E1111 HydrophobicContact CG1-CG 4.42Å; I1090-E1111 WeakPolarHBondContact CG2-O 3.38Å; S1107-E1111 WeakPolarHBondContact CA-OE2 3.5Å; T1108-E1111 PolarHBondContact N-OE2 3.33Å; T1108-E1111 PolarHBondContact O-N 3Å; T1108-E1111 VanDerWaalsContact O-N 3.15Å; T1108-E1111 WeakPolarHBondContact OG1-CG 3.4Å; T1108-E1111 PolarHBondContact OG1-N 3.28Å; T1108-E1111 PolarHBondContact OG1-OE2 2.94Å; E1111-L1114 PolarHBondContact O-N 2.9Å; E1111-W1115 PolarHBondContact O-N 3Å; E1111-W1115 VanDerWaalsContact O-N 3.17Å; E1111-L1130 HydrophobicContact CG-CD1 4.09Å; E1111-R1133 IonicContact OE1-CZ 3.06Å; E1111-R1133 IonicContact OE1-NE 3.7Å; E1111-R1133 PolarHBondContact OE1-NE 3.48Å; E1111-R1133 IonicContact OE1-NH2 2.84Å; E1111-R1133 PolarHBondContact OE1-NH2 2.82Å; E1111-R1133 IonicContact OE2-CZ 2.79Å; E1111-R1133 VanDerWaalsContact OE2-CZ 3.25Å; E1111-R1133 IonicContact OE2-NE 3.52Å; E1111-R1133 PolarHBondContact OE2-NE 3.41Å; E1111-R1133 VanDerWaalsContact OE2-NE 3.09Å; E1111-R1133 IonicContact OE2-NH2 2.8Å; E1111-R1133 PolarHBondContact OE2-NH2 3.39Å
1112	V	97	Very high	93.7	Very high	23 Å²	23	48 Å²	48	14%	0.139	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-49.2	172.7	174.4	0	0	0	0	110.4	G1091 T1108 L1114 W1115 E1116	G1091-V1112 WeakPolarHBondContact O-CG2 3.19Å; T1108-V1112 WeakPolarHBondContact O-CB 3.19Å; T1108-V1112 VanDerWaalsContact O-CG2 3.3Å; T1108-V1112 WeakPolarHBondContact O-CG2 3.46Å; T1108-V1112 PolarHBondContact O-N 2.83Å; V1112-L1114 PolarHBondContact O-N 2.64Å; V1112-W1115 WeakPolarHBondContact O-CA 3.45Å; V1112-W1115 WeakPolarHBondContact O-CB 3.35Å; V1112-W1115 PolarHBondContact O-N 3.46Å; V1112-E1116 HydrophobicContact CG1-CG 3.97Å; V1112-E1116 WeakPolarHBondContact O-CG 3.36Å; V1112-E1116 PolarHBondContact O-N 2.85Å
1113	A	97.1	Very high	93.9	Very high	33 Å²	33	51 Å²	51	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-28.3	-178.6	0	0	0	0	0	113.3	S1109 E1110 K1117	S1109-A1113 WeakPolarHBondContact O-CB 3.34Å; S1109-A1113 PolarHBondContact O-N 3.26Å; E1110-A1113 PolarHBondContact O-N 2.96Å; A1113-K1117 WeakPolarHBondContact O-CB 3.35Å; A1113-K1117 VanDerWaalsContact O-CD 3.25Å; A1113-K1117 WeakPolarHBondContact O-CD 3.47Å; A1113-K1117 WeakPolarHBondContact O-CG 3.37Å; A1113-K1117 PolarHBondContact O-N 2.96Å
1114	L	97.3	Very high	94.5	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-71.8	-42.9	170.5	-179.2	63.2	0	0	0	111.8	L982 L984 I1090 E1110 E1111 V1112 K1117 M1118 V1126 A1128 L1130	L982-L1114 HydrophobicContact CD1-CD2 3.95Å; L982-L1114 HydrophobicContact CG-CD2 4.32Å; L984-L1114 HydrophobicContact CD1-CD2 4.11Å; L984-L1114 HydrophobicContact CD1-CG 4.03Å; L984-L1114 HydrophobicContact CG-CD2 4.23Å; L984-L1114 HydrophobicContact CG-CG 4.37Å; I1090-L1114 HydrophobicContact CD1-CD2 4.24Å; I1090-L1114 HydrophobicContact CG2-CB 4.41Å; I1090-L1114 HydrophobicContact CG2-CD2 4.23Å; I1090-L1114 HydrophobicContact CG2-CG 4.47Å; E1110-L1114 PolarHBondContact O-N 2.88Å; E1111-L1114 PolarHBondContact O-N 2.9Å; V1112-L1114 PolarHBondContact O-N 2.64Å; L1114-K1117 PolarHBondContact O-N 3.49Å; L1114-M1118 PolarHBondContact O-N 3.35Å; L1114-M1118 VanDerWaalsContact O-N 3.1Å; L1114-V1126 HydrophobicContact CD1-CB 4.32Å; L1114-V1126 HydrophobicContact CD1-CG2 3.84Å; L1114-A1128 HydrophobicContact CD1-CB 3.96Å; L1114-A1128 HydrophobicContact CD2-CB 4.19Å; L1114-A1128 HydrophobicContact CG-CB 4.48Å; L1114-L1130 HydrophobicContact CD2-CD1 3.77Å
1115	W	97.1	Very high	95	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-64.1	-47.6	177.7	-165.5	-108.7	0	0	0	111.9	L984 V1002 L1065 V1070 I1090 G1091 F1092 E1111 V1112 K1117 M1118 V1119	L984-W1115 HydrophobicContact CD1-CE3 3.87Å; L984-W1115 HydrophobicContact CD1-CZ3 4.19Å; V1002-W1115 HydrophobicContact CG1-CH2 4.5Å; L1065-W1115 HydrophobicContact CD2-CZ2 4.23Å; L1065-W1115 PolarHBondContact O-NE1 3.07Å; V1070-W1115 HydrophobicContact CG2-CH2 3.96Å; V1070-W1115 HydrophobicContact CG2-CZ3 3.57Å; I1090-W1115 HydrophobicContact CG2-CB 4.23Å; I1090-W1115 HydrophobicContact CG2-CE3 4.17Å; G1091-W1115 VanDerWaalsContact CA-CG 3.49Å; F1092-W1115 AromaticContact CD2-CD1 3.34Å; F1092-W1115 AromaticContact CD2-NE1 3.36Å; F1092-W1115 AromaticContact CE2-CD1 3.41Å; F1092-W1115 VanDerWaalsContact CE2-CD1 3.41Å; F1092-W1115 AromaticContact CE2-NE1 3.4Å; F1092-W1115 AromaticContact CG-CD1 3.88Å; E1111-W1115 PolarHBondContact O-N 3Å; E1111-W1115 VanDerWaalsContact O-N 3.17Å; V1112-W1115 WeakPolarHBondContact O-CA 3.45Å; V1112-W1115 WeakPolarHBondContact O-CB 3.35Å; V1112-W1115 PolarHBondContact O-N 3.46Å; W1115-K1117 VanDerWaalsContact C-N 3.33Å; W1115-K1117 PolarHBondContact O-N 2.72Å; W1115-M1118 HydrophobicContact CD2-CE 3.96Å; W1115-M1118 HydrophobicContact CE3-CE 3.7Å; W1115-M1118 HydrophobicContact CE3-SD 4.34Å; W1115-M1118 HydrophobicContact CH2-CE 3.67Å; W1115-M1118 HydrophobicContact CZ2-CE 3.92Å; W1115-M1118 HydrophobicContact CZ3-CE 3.54Å; W1115-M1118 HydrophobicContact CZ3-SD 4.1Å; W1115-M1118 WeakPolarHBondContact O-CB 3.46Å; W1115-M1118 PolarHBondContact O-N 3.15Å; W1115-M1118 VanDerWaalsContact O-N 3.09Å; W1115-V1119 WeakPolarHBondContact O-CG2 3.45Å; W1115-V1119 PolarHBondContact O-N 3.21Å
1116	E	96.5	Very high	95.3	Very high	85 Å²	85	54.8 Å²	54.8	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-58.8	-42.5	175.4	-72.6	-176.4	158.2	0	0	111.9	F1092 V1112 M1118 V1119 N1120	F1092-E1116 HydrophobicContact CD1-CG 4.21Å; F1092-E1116 HydrophobicContact CE1-CG 3.79Å; V1112-E1116 HydrophobicContact CG1-CG 3.97Å; V1112-E1116 WeakPolarHBondContact O-CG 3.36Å; V1112-E1116 PolarHBondContact O-N 2.85Å; E1116-M1118 VanDerWaalsContact C-N 3.3Å; E1116-M1118 PolarHBondContact O-N 3.29Å; E1116-V1119 PolarHBondContact O-N 2.98Å; E1116-N1120 VanDerWaalsContact O-CB 3.28Å; E1116-N1120 WeakPolarHBondContact O-CB 3.26Å; E1116-N1120 PolarHBondContact O-N 3Å; E1116-N1120 PolarHBondContact O-ND2 2.83Å
1117	K	96.5	Very high	95.6	Very high	120 Å²	120	56.4 Å²	56.4	52%	0.522	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-40.2	174.9	-78	168.6	-170.1	172	0	111.9	A1113 L1114 W1115 S1121 V1126	A1113-K1117 WeakPolarHBondContact O-CB 3.35Å; A1113-K1117 VanDerWaalsContact O-CD 3.25Å; A1113-K1117 WeakPolarHBondContact O-CD 3.47Å; A1113-K1117 WeakPolarHBondContact O-CG 3.37Å; A1113-K1117 PolarHBondContact O-N 2.96Å; L1114-K1117 PolarHBondContact O-N 3.49Å; W1115-K1117 VanDerWaalsContact C-N 3.33Å; W1115-K1117 PolarHBondContact O-N 2.72Å; K1117-S1121 WeakPolarHBondContact O-CB 3.27Å; K1117-S1121 PolarHBondContact O-N 3.31Å; K1117-S1121 PolarHBondContact O-OG 3.47Å; K1117-V1126 HydrophobicContact CB-CB 4.16Å; K1117-V1126 HydrophobicContact CB-CG1 4.02Å; K1117-V1126 HydrophobicContact CB-CG2 4.26Å
1118	M	96.2	Very high	95.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-48.6	177.8	-175.9	-160.6	67	0	0	111.2	L984 V1002 L1065 L1114 W1115 E1116 N1120 S1121 V1126	L984-M1118 HydrophobicContact CB-CB 4.22Å; L984-M1118 HydrophobicContact CB-CG 3.95Å; L984-M1118 HydrophobicContact CB-SD 3.73Å; L984-M1118 HydrophobicContact CD1-SD 4.12Å; V1002-M1118 HydrophobicContact CG1-SD 4.08Å; L1065-M1118 HydrophobicContact CD2-CE 4.27Å; L1114-M1118 PolarHBondContact O-N 3.35Å; L1114-M1118 VanDerWaalsContact O-N 3.1Å; W1115-M1118 HydrophobicContact CD2-CE 3.96Å; W1115-M1118 HydrophobicContact CE3-CE 3.7Å; W1115-M1118 HydrophobicContact CE3-SD 4.34Å; W1115-M1118 HydrophobicContact CH2-CE 3.67Å; W1115-M1118 HydrophobicContact CZ2-CE 3.92Å; W1115-M1118 HydrophobicContact CZ3-CE 3.54Å; W1115-M1118 HydrophobicContact CZ3-SD 4.1Å; W1115-M1118 WeakPolarHBondContact O-CB 3.46Å; W1115-M1118 PolarHBondContact O-N 3.15Å; W1115-M1118 VanDerWaalsContact O-N 3.09Å; E1116-M1118 VanDerWaalsContact C-N 3.3Å; E1116-M1118 PolarHBondContact O-N 3.29Å; M1118-N1120 PolarHBondContact O-N 2.88Å; M1118-S1121 CarbonylContact O-C 3.52Å; M1118-S1121 PolarHBondContact O-N 3.26Å; M1118-V1126 HydrophobicContact CB-CG2 3.7Å; M1118-V1126 HydrophobicContact CG-CG2 4.43Å
1119	V	94.4	Very high	96	Very high	44 Å²	44	57.5 Å²	57.5	27%	0.267	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-40.5	-179.1	176.5	0	0	0	0	111.3	L1065 F1092 W1115 E1116 S1121	L1065-V1119 HydrophobicContact CB-CG2 4.28Å; L1065-V1119 HydrophobicContact CD1-CG2 4.33Å; F1092-V1119 HydrophobicContact CE2-CG2 4.16Å; F1092-V1119 HydrophobicContact CZ-CB 4.46Å; F1092-V1119 HydrophobicContact CZ-CG1 4.44Å; F1092-V1119 HydrophobicContact CZ-CG2 4.13Å; W1115-V1119 WeakPolarHBondContact O-CG2 3.45Å; W1115-V1119 PolarHBondContact O-N 3.21Å; E1116-V1119 PolarHBondContact O-N 2.98Å; V1119-S1121 VanDerWaalsContact C-N 3.32Å; V1119-S1121 PolarHBondContact O-N 3.05Å
1120	N	94.6	Very high	96.1	Very high	128 Å²	128	52.9 Å²	52.9	68%	0.684	28%	0.283	S	S	*	.	H	α-helix	trans	-76.6	-14.1	177.3	-70.1	-55.1	0	0	0	114	E1116 M1118 P1122	E1116-N1120 VanDerWaalsContact O-CB 3.28Å; E1116-N1120 WeakPolarHBondContact O-CB 3.26Å; E1116-N1120 PolarHBondContact O-N 3Å; E1116-N1120 PolarHBondContact O-ND2 2.83Å; M1118-N1120 PolarHBondContact O-N 2.88Å; N1120-P1122 VanDerWaalsContact C-CD 3.4Å; N1120-P1122 WeakPolarHBondContact O-CD 3.19Å
1121	S	93.8	Very high	96.1	Very high	40 Å²	40	51.1 Å²	51.1	28%	0.28	28%	0.28	S	S	.	.	S	Bend	trans	-124.2	60.5	-176.4	-41.6	0	0	0	0	111.8	K1117 M1118 V1119 T1124	K1117-S1121 WeakPolarHBondContact O-CB 3.27Å; K1117-S1121 PolarHBondContact O-N 3.31Å; K1117-S1121 PolarHBondContact O-OG 3.47Å; M1118-S1121 CarbonylContact O-C 3.52Å; M1118-S1121 PolarHBondContact O-N 3.26Å; V1119-S1121 VanDerWaalsContact C-N 3.32Å; V1119-S1121 PolarHBondContact O-N 3.05Å; S1121-T1124 VanDerWaalsContact O-CB 3.24Å; S1121-T1124 WeakPolarHBondContact O-CB 3.47Å; S1121-T1124 PolarHBondContact O-N 3.21Å; S1121-T1124 VanDerWaalsContact O-N 3.08Å
1122	P	92.7	Very high	95.9	Very high	58 Å²	58	51.5 Å²	51.5	38%	0.377	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	149.5	179.4	25.4	-34.8	0	0	0	111.8	Y986 P988 N1120 T1124	Y986-P1122 HydrophobicContact CD1-CB 4.46Å; P988-P1122 HydrophobicContact CG-CB 3.61Å; N1120-P1122 VanDerWaalsContact C-CD 3.4Å; N1120-P1122 WeakPolarHBondContact O-CD 3.19Å; P1122-T1124 PolarHBondContact O-N 2.86Å; P1122-T1124 PolarHBondContact O-OG1 3.44Å
1123	N	93	Very high	95.6	Very high	97 Å²	97	52.9 Å²	52.9	52%	0.519	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	4.4	-171.8	-55.7	-57.5	0	0	0	115.4	Q985 Y986	Q985-N1123 PolarHBondContact NE2-O 3.3Å; Y986-N1123 PolarHBondContact O-N 3.19Å
1124	T	96.6	Very high	94.8	Very high	75 Å²	75	54.5 Å²	54.5	46%	0.46	29%	0.287	S	S	.	.	S	Bend	trans	-107.3	137.5	-179.9	-50.4	0	0	0	0	110.8	S1121 P1122	S1121-T1124 VanDerWaalsContact O-CB 3.24Å; S1121-T1124 WeakPolarHBondContact O-CB 3.47Å; S1121-T1124 PolarHBondContact O-N 3.21Å; S1121-T1124 VanDerWaalsContact O-N 3.08Å; P1122-T1124 PolarHBondContact O-N 2.86Å; P1122-T1124 PolarHBondContact O-OG1 3.44Å
1125	W	97.4	Very high	94	Very high	99 Å²	99	54.8 Å²	54.8	38%	0.375	29%	0.289	S	S	.	.			trans	-77.3	120.2	169.5	-75.7	98.4	0	0	0	110.3	A983 L984 Q985 H1003 W1005 T1054	A983-W1125 HydrophobicContact CB-CE3 3.63Å; A983-W1125 HydrophobicContact CB-CZ3 4.19Å; A983-W1125 WeakPolarHBondContact O-CZ3 3.18Å; L984-W1125 WeakPolarHBondContact O-CA 3.44Å; Q985-W1125 HydrophobicContact CB-CD2 3.68Å; Q985-W1125 HydrophobicContact CB-CE3 3.72Å; Q985-W1125 HydrophobicContact CB-CG 4.16Å; Q985-W1125 HydrophobicContact CB-CH2 4.31Å; Q985-W1125 HydrophobicContact CB-CZ2 4.24Å; Q985-W1125 HydrophobicContact CB-CZ3 4.04Å; Q985-W1125 HydrophobicContact CG-CD2 4.49Å; Q985-W1125 VanDerWaalsContact OE1-CE2 3.24Å; Q985-W1125 VanDerWaalsContact OE1-NE1 3.16Å; H1003-W1125 HydrophobicContact CB-CH2 3.64Å; H1003-W1125 HydrophobicContact CB-CZ2 4.12Å; H1003-W1125 HydrophobicContact CB-CZ3 4.29Å; W1005-W1125 HydrophobicContact CB-CE3 4.38Å; W1005-W1125 HydrophobicContact CB-CH2 3.77Å; W1005-W1125 HydrophobicContact CB-CZ3 3.54Å; T1054-W1125 HydrophobicContact CG2-CH2 3.97Å
1126	V	97.4	Very high	92.6	Very high	16 Å²	16	59.5 Å²	59.5	10%	0.097	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128	172.6	-61.1	0	0	0	0	109.3	A983 L984 L1114 K1117 M1118	A983-V1126 CarbonylContact C-O 3.44Å; A983-V1126 WeakPolarHBondContact CA-O 3.32Å; A983-V1126 WeakPolarHBondContact CB-O 3.37Å; L984-V1126 HydrophobicContact CB-CG2 4.17Å; L984-V1126 PolarHBondContact N-O 2.95Å; L984-V1126 WeakPolarHBondContact O-CG2 3.35Å; L984-V1126 PolarHBondContact O-N 3.45Å; L1114-V1126 HydrophobicContact CD1-CB 4.32Å; L1114-V1126 HydrophobicContact CD1-CG2 3.84Å; K1117-V1126 HydrophobicContact CB-CB 4.16Å; K1117-V1126 HydrophobicContact CB-CG1 4.02Å; K1117-V1126 HydrophobicContact CB-CG2 4.26Å; M1118-V1126 HydrophobicContact CB-CG2 3.7Å; M1118-V1126 HydrophobicContact CG-CG2 4.43Å
1127	E	97.4	Very high	91.1	Very high	95 Å²	95	57.7 Å²	57.7	44%	0.444	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.6	-173.2	176.5	165.1	-164.8	0	0	111.5	K981 L982 A983 K1007	K981-E1127 WeakPolarHBondContact CE-OE1 3.15Å; L982-E1127 WeakPolarHBondContact O-CA 3.43Å; A983-E1127 HydrophobicContact CB-CB 4.1Å; K1007-E1127 WeakPolarHBondContact CD-OE1 3.29Å; K1007-E1127 VanDerWaalsContact CE-OE1 3.31Å; K1007-E1127 WeakPolarHBondContact CE-OE1 3.29Å; K1007-E1127 IonicContact NZ-OE1 3.94Å; K1007-E1127 PolarHBondContact NZ-OE1 3.11Å; K1007-E1127 IonicContact NZ-OE2 3.04Å; K1007-E1127 PolarHBondContact NZ-OE2 2.73Å
1128	A	97.2	Very high	89	Confident	25 Å²	25	52.4 Å²	52.4	21%	0.207	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.6	167.1	0	0	0	0	0	111.4	K981 L982 L1114 L1130	K981-A1128 WeakPolarHBondContact CA-O 3.48Å; L982-A1128 PolarHBondContact N-O 2.99Å; L982-A1128 PolarHBondContact O-N 2.77Å; L982-A1128 VanDerWaalsContact O-O 3.12Å; L1114-A1128 HydrophobicContact CD1-CB 3.96Å; L1114-A1128 HydrophobicContact CD2-CB 4.19Å; L1114-A1128 HydrophobicContact CG-CB 4.48Å; A1128-L1130 HydrophobicContact CB-CD2 4.41Å; A1128-L1130 HydrophobicContact CB-CG 4.26Å
1129	T	97.4	Very high	86.8	Confident	61 Å²	61	56.8 Å²	56.8	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.6	159.1	-54.2	0	0	0	0	107.4	E979 M980 K981	E979-T1129 HydrophobicContact CB-CG2 3.74Å; E979-T1129 HydrophobicContact CG-CG2 4.38Å; E979-T1129 WeakPolarHBondContact OE2-CG2 3.45Å; M980-T1129 WeakPolarHBondContact O-CA 3.36Å; K981-T1129 HydrophobicContact CB-CG2 4.34Å
1130	L	96.5	Very high	84.1	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.7	-176	-66.7	173.8	0	0	0	110.7	E979 M980 L982 L1088 I1090 E1110 E1111 L1114 A1128	E979-L1130 WeakPolarHBondContact CA-O 3.44Å; M980-L1130 PolarHBondContact N-O 2.86Å; M980-L1130 PolarHBondContact O-N 3.01Å; L982-L1130 HydrophobicContact CD2-CD1 4.43Å; L1088-L1130 HydrophobicContact CD1-CB 3.76Å; L1088-L1130 HydrophobicContact CD1-CD1 4.01Å; L1088-L1130 HydrophobicContact CD2-CB 3.84Å; L1088-L1130 HydrophobicContact CG-CB 4.47Å; I1090-L1130 HydrophobicContact CD1-CD1 4.07Å; I1090-L1130 HydrophobicContact CG1-CD1 4.48Å; E1110-L1130 HydrophobicContact CB-CD2 3.53Å; E1111-L1130 HydrophobicContact CG-CD1 4.09Å; L1114-L1130 HydrophobicContact CD2-CD1 3.77Å; A1128-L1130 HydrophobicContact CB-CD2 4.41Å; A1128-L1130 HydrophobicContact CB-CG 4.26Å
1131	P	94.6	Very high	81.1	Confident	64 Å²	64	56.7 Å²	56.7	42%	0.416	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	131.7	-179	29.1	-34.4	0	0	0	111.4	L1088 E1110	L1088-P1131 VanDerWaalsContact CD2-O 3.22Å; L1088-P1131 WeakPolarHBondContact CD2-O 3.46Å; E1110-P1131 VanDerWaalsContact OE2-CD 3.24Å; E1110-P1131 WeakPolarHBondContact OE2-CD 2.76Å
1132	L	93.9	Very high	78	Confident	11 Å²	11	67.2 Å²	67.2	6%	0.058	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-70.9	133.7	-177.9	-68.8	169	0	0	0	111.3	R977 G978 M980 L1012 V1074 L1088	R977-L1132 HydrophobicContact CB-CB 3.89Å; R977-L1132 VanDerWaalsContact CB-O 3.27Å; R977-L1132 WeakPolarHBondContact CB-O 3.48Å; R977-L1132 WeakPolarHBondContact O-CD1 3.28Å; G978-L1132 VanDerWaalsContact O-CB 3.28Å; G978-L1132 WeakPolarHBondContact O-CB 3.39Å; G978-L1132 WeakPolarHBondContact O-CG 3.49Å; G978-L1132 PolarHBondContact O-N 2.76Å; M980-L1132 HydrophobicContact CB-CD2 3.98Å; M980-L1132 HydrophobicContact CB-CG 4.43Å; M980-L1132 HydrophobicContact CE-CD2 4.25Å; L1012-L1132 HydrophobicContact CD2-CD1 3.43Å; L1012-L1132 VanDerWaalsContact CD2-CD1 3.43Å; V1074-L1132 HydrophobicContact CG2-CD1 3.93Å; V1074-L1132 HydrophobicContact CG2-CD2 3.85Å; L1088-L1132 HydrophobicContact CD2-CD2 4.34Å; L1088-L1132 HydrophobicContact CG-CD2 4.08Å
1133	R	89.1	Confident	77.2	Confident	52 Å²	52	67.7 Å²	67.7	20%	0.196	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-103.9	157.4	-179	-55.4	-166.1	-70.3	125.5	-17.9	112.1	G1086 G1087 D1106 E1111 L1135	G1086-R1133 CarbonylContact C-O 3.57Å; G1086-R1133 WeakPolarHBondContact CA-O 3.35Å; G1087-R1133 PolarHBondContact N-O 3.24Å; G1087-R1133 PolarHBondContact O-N 2.89Å; D1106-R1133 PolarHBondContact O-NH1 3.24Å; D1106-R1133 PolarHBondContact O-NH2 3.23Å; D1106-R1133 IonicContact OD2-CZ 3.45Å; D1106-R1133 IonicContact OD2-NH1 2.73Å; D1106-R1133 PolarHBondContact OD2-NH1 2.9Å; D1106-R1133 IonicContact OD2-NH2 3.18Å; D1106-R1133 PolarHBondContact OD2-NH2 3.22Å; E1111-R1133 IonicContact OE1-CZ 3.06Å; E1111-R1133 IonicContact OE1-NE 3.7Å; E1111-R1133 PolarHBondContact OE1-NE 3.48Å; E1111-R1133 IonicContact OE1-NH2 2.84Å; E1111-R1133 PolarHBondContact OE1-NH2 2.82Å; E1111-R1133 IonicContact OE2-CZ 2.79Å; E1111-R1133 VanDerWaalsContact OE2-CZ 3.25Å; E1111-R1133 IonicContact OE2-NE 3.52Å; E1111-R1133 PolarHBondContact OE2-NE 3.41Å; E1111-R1133 VanDerWaalsContact OE2-NE 3.09Å; E1111-R1133 IonicContact OE2-NH2 2.8Å; E1111-R1133 PolarHBondContact OE2-NH2 3.39Å; R1133-L1135 HydrophobicContact CB-CD2 4.04Å; R1133-L1135 PolarHBondContact O-N 2.67Å
1134	M	81.8	Confident	76.4	Confident	66 Å²	66	66.2 Å²	66.2	33%	0.325	34%	0.336	S	S	.	.			trans	-80.5	101.8	165.7	179.2	55	59.5	0	0	109.1	M824 F1084	M824-M1134 HydrophobicContact SD-CE 4.35Å; M824-M1134 HydrophobicContact SD-SD 3.91Å; F1084-M1134 HydrophobicContact CD1-CE 4.39Å; F1084-M1134 HydrophobicContact CD1-SD 4.04Å; F1084-M1134 HydrophobicContact CE1-CE 4.31Å; F1084-M1134 HydrophobicContact CE1-SD 3.73Å
1135	L	80.3	Confident	75.3	Confident	10 Å²	10	65.7 Å²	65.7	5%	0.052	33%	0.329	C	S	.	.			trans	-93.6	133.1	-176.7	-61	-177.1	0	0	0	113.2	E1071 T1073 F1084 R1089 R1133 I1137	E1071-L1135 HydrophobicContact CG-CD1 4.46Å; T1073-L1135 HydrophobicContact CG2-CD1 4.4Å; F1084-L1135 HydrophobicContact CZ-CB 4.22Å; R1089-L1135 HydrophobicContact CG-CD1 3.94Å; R1089-L1135 HydrophobicContact CG-CD2 4.28Å; R1133-L1135 HydrophobicContact CB-CD2 4.04Å; R1133-L1135 PolarHBondContact O-N 2.67Å; L1135-I1137 VanDerWaalsContact C-N 3.33Å; L1135-I1137 PolarHBondContact O-N 3.37Å
1136	L	67	Low	74	Confident	100 Å²	100	63.7 Å²	63.7	52%	0.524	33%	0.326	S	S	.	.			trans	-73.2	86.6	160.9	-87.7	161.7	0	0	0	109.2	R1089 A1138 L1140	R1089-L1136 PolarHBondContact NH2-O 3.31Å; L1136-A1138 PolarHBondContact O-N 3.45Å; L1136-L1140 HydrophobicContact CD2-CD1 4.29Å
1137	I	65.9	Low	72.5	Confident	47 Å²	47	66.7 Å²	66.7	24%	0.241	34%	0.341	C	S	.	.			trans	-48	126.4	-176.5	-58.4	168.5	0	0	0	110.7	W1075 L1135 K1139 L1140	W1075-I1137 HydrophobicContact CH2-CD1 3.72Å; W1075-I1137 HydrophobicContact CZ2-CD1 3.71Å; L1135-I1137 VanDerWaalsContact C-N 3.33Å; L1135-I1137 PolarHBondContact O-N 3.37Å; I1137-K1139 PolarHBondContact O-N 3.31Å; I1137-L1140 PolarHBondContact O-N 2.99Å
1138	A	50.9	Low	70.9	Confident	9 Å²	9	64.8 Å²	64.8	7%	0.074	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	32.6	-168.8	0	0	0	0	0	115.8	L1029 E1071 W1104 L1136	L1029-A1138 HydrophobicContact CD1-CB 4.07Å; L1029-A1138 HydrophobicContact CD2-CB 4.42Å; E1071-A1138 PolarHBondContact OE2-N 3.18Å; W1104-A1138 HydrophobicContact CB-CB 3.97Å; W1104-A1138 HydrophobicContact CG-CB 4.22Å; L1136-A1138 PolarHBondContact O-N 3.45Å
1139	K	51.3	Low	69	Low	92 Å²	92	67.6 Å²	67.6	40%	0.4	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	7.2	169.3	-73.3	-168.2	169.4	178.1	0	113.3	T1032 I1137	T1032-K1139 WeakPolarHBondContact O-CE 3.37Å; T1032-K1139 PolarHBondContact O-NZ 3.49Å; I1137-K1139 PolarHBondContact O-N 3.31Å
1140	L	36.4	Very low	66.8	Low	116 Å²	116	68.2 Å²	68.2	61%	0.607	34%	0.341	S	S	*	.	S	Bend	trans	-92.2	-28.3	171.4	-68.7	172.6	0	0	0	112.6	L1136 I1137 K1142	L1136-L1140 HydrophobicContact CD2-CD1 4.29Å; I1137-L1140 PolarHBondContact O-N 2.99Å; L1140-K1142 PolarHBondContact O-N 3.29Å
1141	S	32.9	Very low	64.3	Low	55 Å²	55	73.6 Å²	73.6	39%	0.385	37%	0.368	S	S	.	.			trans	-80.5	100.2	170	31.3	0	0	0	0	110.8	D1103	D1103-S1141 PolarHBondContact OD1-OG 3.23Å; D1103-S1141 WeakPolarHBondContact OD2-CB 3.16Å; D1103-S1141 PolarHBondContact OD2-OG 3.47Å
1142	K	28	Very low	61.6	Low	261 Å²	261	74.5 Å²	74.5	100%	1.135	36%	0.363	S	S	*	.			trans	-161	0	175.3	-142.3	-164.3	177.3	-149.8	0	113.9	L1140	L1140-K1142 PolarHBondContact O-N 3.29Å

Retrieved 1,142 of 1,142 residues in 1692.8 ms (Link to these results)

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