A0A3Q0KSS4_SCHMA Loading...

WD repeat-containing protein 44

AlphaFold DB , UniProt , Accession A0A3Q0KSS4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,137 aa.

						>A0A3Q0KSS4_SCHMA|A0A3Q0KSS4
MSSDEDEFFDAPEALGCGYNVRKWSDNDDELIRTYFDFDSQNARRRSRVESLKKNLLEKSYSLGHASGINSFEAMEEVLSRNVSDHISPTIEAYQSEIGVLNLPGCKNEFTSDQELLHRIKLHHEPDFGFLNSQQEKPSLSTYIQVQEPSIDSRLNLLDTDSTQKKLSKTQFAQTQTIFRDNGSLRYPNECGFRSPMSVSMCGCSNAAPSGTPTVYKHTHPIMNEVADCNFIEREDLPVIQLLRSQVVSSAPEVSNRNNDAKHLLDYVKSWSLGAAKQHSTGPFPSINGTATLDRITNNNLPQHQTDNLGSIGFDSLYTVALNRTGFGSLFPQSTTATSTIITTTVAAINTTTTTTSVPPYNRTSEIQEPCPHHRSCRLVSTMVQTDLNINEKRNDSNEQILNSFHRDTLMNKFPTDNNNTIGSDKIVKSASATLNNEHQIVNPIEIQFRDRTRSNSSLPLTSLGDKQSIDFSTSSQENSIGVMSKMTKIHKYFRGAMSAMKSATKNKIFNPDEESSDEDEEIIGNQGIRLRSSRQARGRREFLQIKLVQEMKNEHTGAIWAMRFSPCGRLLATAGYDRNIRIWVLRQCYRYFKEMQRSSTPPPSSSTKYGSVSGFMPNDFHTSNNTTSTVTLDEENRFDSLSLASTTISTSGKTDVSEADGASSSSSAPGYSTVLSLTDDFPSPLSSCGSNKNSRPKSSGITAAPGPSPVTTTTTALLPAMSDLHRERRTVFRSKPLLVLRGHEGVVTELAWSKNLFLLATSMDHQVRLWHISRRECLCVFSHNDTVPTIVFHPKDDRYFLSGSLDGKLRLWNIPDKKVRFWVEVPVPSALPVSTNSSSTNTVANFFTRSNPYTGSQYTTSLPGLSSKGSGGGVGPKTVITCATFACEGTKVVVGTYDGRVLFFNSELSYITFITIKSGTAKGRHCRVTAIECDPSDSNKILVTSNDSRLRLVDARDYHTLCKYRGFLNETSQIRASFSPTGRYLIAGSENAFFYIWQKSLDVDKISRFSRIRKDRNNCWEAIKAHDTMVTVAVFSPNPNLILNKLCSSRKPLNSFTISNYSDLSNNNLAGGYSNDGNSGIPRHKLLNLNQSSVTTTDLNRETFVYLGEVVVSADCNGCIRVFKKFSTEITQSTCS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	24.7	Very low	250 Å²	250	154.5 Å²	154.5	100%	1.232	82%	0.822	S	S	*	*				0	122.2	0	-83.5	168.6	121.7	0	0	106
2	S	25.5	Very low	24.6	Very low	111 Å²	111	151.6 Å²	151.6	78%	0.776	82%	0.818	S	S	*	*			trans	-70.3	144.5	-172.3	45	0	0	0	0	113.1
3	S	24.9	Very low	24.4	Very low	90 Å²	90	154.7 Å²	154.7	63%	0.629	82%	0.824	S	S	*	*			trans	50.8	137.9	133.9	78.2	0	0	0	0	121.8
4	D	26.1	Very low	24.4	Very low	135 Å²	135	149.9 Å²	149.9	72%	0.722	82%	0.816	S	S	*	*			trans	110.9	114	137.9	-59.3	-29.3	0	0	0	119.4
5	E	26.1	Very low	24.2	Very low	161 Å²	161	151.9 Å²	151.9	75%	0.752	83%	0.825	S	S	*	*			trans	99.4	74.7	141.1	-52.4	-97.6	150.4	0	0	117.6
6	D	24.6	Very low	24.2	Very low	180 Å²	180	146.5 Å²	146.5	96%	0.963	82%	0.816	S	S	*	*			trans	-89.4	87.2	152.6	-79.5	-40.9	0	0	0	108.4
7	E	25.2	Very low	24.3	Very low	167 Å²	167	145.6 Å²	145.6	78%	0.78	82%	0.82	S	S	*	*			trans	-110.6	130.9	167.3	-135.5	-178.4	-157.9	0	0	111.5
8	F	23	Very low	24.3	Very low	189 Å²	189	141.4 Å²	141.4	83%	0.829	81%	0.814	S	S	*	*			trans	-87.5	136.7	-167.6	-145	-99.3	0	0	0	109.4
9	F	23.2	Very low	24.4	Very low	181 Å²	181	145.5 Å²	145.5	79%	0.794	82%	0.817	S	S	*	*			trans	-152.3	116.9	159.3	-103.1	-74.4	0	0	0	113.6
10	D	21	Very low	24.4	Very low	133 Å²	133	145.9 Å²	145.9	71%	0.711	82%	0.817	S	S	*	*			trans	27.6	125.3	144	-61.7	-26.9	0	0	0	122.2
11	A	23	Very low	24.7	Very low	103 Å²	103	145.3 Å²	145.3	85%	0.851	82%	0.816	S	S	*	*			trans	-107.2	125.1	157.8	0	0	0	0	0	109.8
12	P	23	Very low	24.7	Very low	119 Å²	119	144.8 Å²	144.8	77%	0.773	80%	0.801	S	S	*	*			trans	-90.8	152.9	-171	35.3	-34.1	0	0	0	114.4
13	E	21.7	Very low	24.7	Very low	192 Å²	192	148.6 Å²	148.6	90%	0.897	80%	0.803	S	S	*	*			trans	6.5	130.4	148.8	-57.8	-179.2	160.8	0	0	119.5
14	A	24.3	Very low	24.9	Very low	87 Å²	87	152.7 Å²	152.7	72%	0.719	81%	0.805	S	S	*	*				173.1	117.8	118	0	0	0	0	0	114.1
15	L	22.7	Very low	25.4	Very low	180 Å²	180	149.1 Å²	149.1	94%	0.942	79%	0.791	S	S	*	*				59.7	125.4	127.7	-62.8	163	0	0	0	121.7
16	G	24	Very low	26.2	Very low	66 Å²	66	147.7 Å²	147.7	68%	0.68	79%	0.788	S	S	*	*			trans	146.9	93.3	134.1	0	0	0	0	0	119.4
17	C	25.6	Very low	27	Very low	132 Å²	132	144.4 Å²	144.4	89%	0.892	77%	0.77	S	S	*	*			trans	56.7	104.7	139	53.3	0	0	0	0	123
18	G	24	Very low	27.6	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	75%	0.75	S	S	*	*				81.8	108.4	105	0	0	0	0	0	120.3
19	Y	26.4	Very low	28.7	Very low	220 Å²	220	134.3 Å²	134.3	86%	0.863	73%	0.731	S	S	*	*				170	113.3	111.1	-97.2	-77.2	0	0	0	111.3
20	N	25.4	Very low	29.8	Very low	152 Å²	152	131.8 Å²	131.8	81%	0.813	72%	0.721	S	S	*	*			trans	38.3	77.4	151.7	-63.8	-24.4	0	0	0	120
21	V	30.4	Very low	30.9	Very low	134 Å²	134	131.2 Å²	131.2	81%	0.812	72%	0.718	S	S	*	*	S	Bend	trans	-129.2	140.2	144.8	-179.6	0	0	0	0	106.6	K23	V21-K23 PolarHBondContact O-N 3.23Å
22	R	29.2	Very low	32	Very low	240 Å²	240	129.3 Å²	129.3	91%	0.906	69%	0.693	S	S	*	*			trans	-38.8	111.4	-176.3	-76.5	174.9	175.1	162	-2.7	111.1	W24	R22-W24 PolarHBondContact O-N 3.2Å
23	K	25.8	Very low	33.1	Very low	190 Å²	190	132.2 Å²	132.2	83%	0.826	69%	0.688	S	S	*	*			trans	-56.4	102.2	178.1	-79.7	-174.6	171	-168.7	0	110	V21	V21-K23 PolarHBondContact O-N 3.23Å
24	W	28.8	Very low	34.5	Very low	176 Å²	176	127 Å²	127	67%	0.667	67%	0.67	S	S	*	*			trans	-61.5	143	135.9	-69.3	-7.4	0	0	0	106.6	R22 D28 I32	R22-W24 PolarHBondContact O-N 3.2Å; W24-D28 HydrophobicContact CB-CB 4.22Å; W24-I32 HydrophobicContact CE3-CD1 4.05Å; W24-I32 HydrophobicContact CZ3-CD1 3.79Å
25	S	35.7	Very low	35.5	Very low	60 Å²	60	130 Å²	130	42%	0.42	66%	0.664	S	S	.	*			trans	-63.7	148	-177.7	67.3	0	0	0	0	108.8	N27 D28	S25-N27 PolarHBondContact O-N 3.31Å; S25-D28 PolarHBondContact N-OD2 3.3Å; S25-D28 WeakPolarHBondContact O-CB 3.41Å; S25-D28 PolarHBondContact O-N 3.49Å; S25-D28 PolarHBondContact OG-OD2 2.87Å
26	D	44.4	Very low	36.6	Very low	131 Å²	131	128 Å²	128	70%	0.701	65%	0.647	S	S	*	*	H	α-helix	trans	-55.6	-22.8	179.5	-67	-47	0	0	0	111.9
27	N	40.5	Very low	37.8	Very low	111 Å²	111	129.5 Å²	129.5	59%	0.594	64%	0.64	S	S	*	*	H	α-helix	trans	-69.9	-29.7	173.2	-69.3	-3.1	0	0	0	113.7	S25 L31	S25-N27 PolarHBondContact O-N 3.31Å; N27-L31 WeakPolarHBondContact O-CB 3.37Å; N27-L31 PolarHBondContact O-N 3.21Å
28	D	37.8	Very low	38.9	Very low	65 Å²	65	127 Å²	127	35%	0.348	61%	0.614	S	S	.	*	H	α-helix	trans	-73.2	-39.3	-178.3	-62.6	-46.4	0	0	0	111.3	W24 S25 E30 L31 I32	W24-D28 HydrophobicContact CB-CB 4.22Å; S25-D28 PolarHBondContact N-OD2 3.3Å; S25-D28 WeakPolarHBondContact O-CB 3.41Å; S25-D28 PolarHBondContact O-N 3.49Å; S25-D28 PolarHBondContact OG-OD2 2.87Å; D28-E30 VanDerWaalsContact C-N 3.33Å; D28-L31 PolarHBondContact O-N 3.2Å; D28-I32 WeakPolarHBondContact O-CB 3.31Å; D28-I32 WeakPolarHBondContact O-CD1 3.46Å; D28-I32 WeakPolarHBondContact O-CG1 3.27Å; D28-I32 PolarHBondContact O-N 3.42Å
29	D	45	Very low	40.1	Very low	80 Å²	80	126.9 Å²	126.9	43%	0.428	60%	0.597	S	S	.	*	H	α-helix	trans	-66.8	-36.3	176.4	-85.8	-10.2	0	0	0	111.6	R33	D29-R33 WeakPolarHBondContact O-CB 3.43Å; D29-R33 WeakPolarHBondContact O-CG 3.28Å; D29-R33 PolarHBondContact O-N 3.38Å
30	E	47.5	Very low	41.3	Very low	128 Å²	128	118.8 Å²	118.8	60%	0.598	57%	0.572	S	S	*	*	H	α-helix	trans	-70.2	-42.8	174.1	-162	177	-154.3	0	0	111.3	D28 I32 R33 T34	D28-E30 VanDerWaalsContact C-N 3.33Å; E30-I32 PolarHBondContact O-N 3.08Å; E30-R33 PolarHBondContact O-N 3.2Å; E30-T34 VanDerWaalsContact O-CB 3.25Å; E30-T34 WeakPolarHBondContact O-CB 3.44Å; E30-T34 PolarHBondContact O-N 3.46Å; E30-T34 PolarHBondContact O-OG1 2.94Å
31	L	43	Very low	42.6	Very low	120 Å²	120	115.5 Å²	115.5	63%	0.628	55%	0.552	S	S	*	*	H	α-helix	trans	-59.6	-43.6	172.9	-104.6	143.6	0	0	0	112.1	N27 D28 T34 Y35	N27-L31 WeakPolarHBondContact O-CB 3.37Å; N27-L31 PolarHBondContact O-N 3.21Å; D28-L31 PolarHBondContact O-N 3.2Å; L31-T34 PolarHBondContact O-N 3.48Å; L31-Y35 VanDerWaalsContact O-CB 3.22Å; L31-Y35 WeakPolarHBondContact O-CB 3.35Å; L31-Y35 PolarHBondContact O-N 3.49Å
32	I	47.3	Very low	43.5	Very low	64 Å²	64	110 Å²	110	33%	0.328	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-46.2	177.8	-70.6	165.6	0	0	0	110.4	W24 D28 E30 Y35 F36	W24-I32 HydrophobicContact CE3-CD1 4.05Å; W24-I32 HydrophobicContact CZ3-CD1 3.79Å; D28-I32 WeakPolarHBondContact O-CB 3.31Å; D28-I32 WeakPolarHBondContact O-CD1 3.46Å; D28-I32 WeakPolarHBondContact O-CG1 3.27Å; D28-I32 PolarHBondContact O-N 3.42Å; E30-I32 PolarHBondContact O-N 3.08Å; I32-Y35 PolarHBondContact O-N 2.95Å; I32-F36 HydrophobicContact CG2-CD2 3.54Å; I32-F36 HydrophobicContact CG2-CE2 3.44Å; I32-F36 VanDerWaalsContact CG2-CE2 3.44Å; I32-F36 WeakPolarHBondContact O-CD2 3.33Å; I32-F36 PolarHBondContact O-N 2.77Å
33	R	46.8	Very low	44.7	Very low	179 Å²	179	100.5 Å²	100.5	68%	0.675	49%	0.491	S	S	*	.	H	α-helix	trans	-61.8	-46.5	175.6	-79.6	-177.9	-179.3	156.9	4.8	111.9	D29 E30 Y35 F36 D37	D29-R33 WeakPolarHBondContact O-CB 3.43Å; D29-R33 WeakPolarHBondContact O-CG 3.28Å; D29-R33 PolarHBondContact O-N 3.38Å; E30-R33 PolarHBondContact O-N 3.2Å; R33-Y35 VanDerWaalsContact C-N 3.3Å; R33-Y35 PolarHBondContact O-N 3.32Å; R33-F36 PolarHBondContact O-N 3.26Å; R33-D37 WeakPolarHBondContact O-CB 3.44Å; R33-D37 PolarHBondContact O-N 3.31Å
34	T	50.3	Low	46.2	Very low	84 Å²	84	98.9 Å²	98.9	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-62.1	-40.2	178.7	-51	0	0	0	0	110.5	E30 L31 F38	E30-T34 VanDerWaalsContact O-CB 3.25Å; E30-T34 WeakPolarHBondContact O-CB 3.44Å; E30-T34 PolarHBondContact O-N 3.46Å; E30-T34 PolarHBondContact O-OG1 2.94Å; L31-T34 PolarHBondContact O-N 3.48Å; T34-F38 WeakPolarHBondContact O-CB 3.28Å; T34-F38 PolarHBondContact O-N 3.4Å
35	Y	45	Very low	47.4	Very low	150 Å²	150	95.2 Å²	95.2	59%	0.588	47%	0.466	S	S	*	.	H	α-helix	trans	-64.9	-44.7	174.2	-175.4	-92.9	0	0	0	112.3	L31 I32 R33 F38 D39	L31-Y35 VanDerWaalsContact O-CB 3.22Å; L31-Y35 WeakPolarHBondContact O-CB 3.35Å; L31-Y35 PolarHBondContact O-N 3.49Å; I32-Y35 PolarHBondContact O-N 2.95Å; R33-Y35 VanDerWaalsContact C-N 3.3Å; R33-Y35 PolarHBondContact O-N 3.32Å; Y35-F38 PolarHBondContact O-N 2.97Å; Y35-D39 WeakPolarHBondContact O-CB 3.41Å; Y35-D39 PolarHBondContact O-N 3.09Å
36	F	45.2	Very low	48.4	Very low	136 Å²	136	98.9 Å²	98.9	60%	0.596	47%	0.47	S	S	*	.	H	α-helix	trans	-65.7	-40.3	177.3	-85	-63.5	0	0	0	112.7	I32 R33 S40	I32-F36 HydrophobicContact CG2-CD2 3.54Å; I32-F36 HydrophobicContact CG2-CE2 3.44Å; I32-F36 VanDerWaalsContact CG2-CE2 3.44Å; I32-F36 WeakPolarHBondContact O-CD2 3.33Å; I32-F36 PolarHBondContact O-N 2.77Å; R33-F36 PolarHBondContact O-N 3.26Å; F36-S40 WeakPolarHBondContact O-CB 3.16Å; F36-S40 PolarHBondContact O-N 2.64Å
37	D	50.6	Low	49.1	Very low	98 Å²	98	95.9 Å²	95.9	52%	0.524	46%	0.459	S	S	.	.	H	α-helix	trans	-67	-41.1	175	-81.8	-26.2	0	0	0	110.9	R33 S40 Q41	R33-D37 WeakPolarHBondContact O-CB 3.44Å; R33-D37 PolarHBondContact O-N 3.31Å; D37-S40 PolarHBondContact O-N 3.25Å; D37-Q41 WeakPolarHBondContact O-CB 3.49Å; D37-Q41 WeakPolarHBondContact O-CG 3.45Å; D37-Q41 PolarHBondContact O-N 2.81Å
38	F	47.5	Very low	50.1	Low	79 Å²	79	99.2 Å²	99.2	35%	0.346	46%	0.464	S	S	.	.	H	α-helix	trans	-63.3	-46.5	175	-174	-102.2	0	0	0	112.2	T34 Y35 Q41 N42	T34-F38 WeakPolarHBondContact O-CB 3.28Å; T34-F38 PolarHBondContact O-N 3.4Å; Y35-F38 PolarHBondContact O-N 2.97Å; F38-Q41 PolarHBondContact O-N 2.88Å; F38-N42 WeakPolarHBondContact CE1-ND2 3.39Å; F38-N42 VanDerWaalsContact CZ-ND2 3.27Å; F38-N42 WeakPolarHBondContact CZ-ND2 3.32Å; F38-N42 WeakPolarHBondContact O-CB 3.27Å; F38-N42 PolarHBondContact O-N 3.5Å
39	D	49.2	Very low	51.2	Low	67 Å²	67	96.8 Å²	96.8	36%	0.358	45%	0.451	S	S	.	.	H	α-helix	trans	-68	-39.5	178.1	-170.2	38.9	0	0	0	111.6	Y35 Q41 N42 A43 R46	Y35-D39 WeakPolarHBondContact O-CB 3.41Å; Y35-D39 PolarHBondContact O-N 3.09Å; D39-Q41 VanDerWaalsContact C-N 3.35Å; D39-Q41 PolarHBondContact O-N 2.71Å; D39-N42 PolarHBondContact O-N 2.94Å; D39-A43 VanDerWaalsContact O-CB 3.28Å; D39-A43 WeakPolarHBondContact O-CB 3.24Å; D39-A43 PolarHBondContact O-N 3.46Å; D39-R46 IonicContact OD1-NH2 3.35Å; D39-R46 PolarHBondContact OD1-NH2 3.33Å
40	S	52	Low	51.9	Low	50 Å²	50	98.1 Å²	98.1	35%	0.35	46%	0.455	S	S	.	.	H	α-helix	trans	-62.4	-39.6	173.3	178.8	0	0	0	0	112.5	F36 D37 R44	F36-S40 WeakPolarHBondContact O-CB 3.16Å; F36-S40 PolarHBondContact O-N 2.64Å; D37-S40 PolarHBondContact O-N 3.25Å; S40-R44 WeakPolarHBondContact O-CB 3.44Å; S40-R44 WeakPolarHBondContact O-CG 3.45Å; S40-R44 PolarHBondContact O-N 3.41Å; S40-R44 VanDerWaalsContact O-N 3.12Å; S40-R44 PolarHBondContact O-NE 3.21Å; S40-R44 VanDerWaalsContact O-NE 3.15Å; S40-R44 PolarHBondContact OG-NH2 2.8Å
41	Q	53.2	Low	52.8	Low	84 Å²	84	95 Å²	95	39%	0.393	45%	0.447	S	S	.	.	H	α-helix	trans	-69.2	-42.4	173.4	-73	179.9	28.4	0	0	111.4	D37 F38 D39 R44 R45	D37-Q41 WeakPolarHBondContact O-CB 3.49Å; D37-Q41 WeakPolarHBondContact O-CG 3.45Å; D37-Q41 PolarHBondContact O-N 2.81Å; F38-Q41 PolarHBondContact O-N 2.88Å; D39-Q41 VanDerWaalsContact C-N 3.35Å; D39-Q41 PolarHBondContact O-N 2.71Å; Q41-R44 CarbonylContact O-C 3.59Å; Q41-R44 WeakPolarHBondContact O-CB 3.49Å; Q41-R44 PolarHBondContact O-N 3.47Å; Q41-R45 WeakPolarHBondContact O-CG 3.45Å; Q41-R45 PolarHBondContact O-N 3.47Å
42	N	49.8	Very low	53.6	Low	19 Å²	19	91.5 Å²	91.5	10%	0.102	43%	0.429	C	S	.	.	H	α-helix	trans	-67.9	-34	177.6	-83.4	-7.7	0	0	0	113.1	F38 D39 R45 R46	F38-N42 WeakPolarHBondContact CE1-ND2 3.39Å; F38-N42 VanDerWaalsContact CZ-ND2 3.27Å; F38-N42 WeakPolarHBondContact CZ-ND2 3.32Å; F38-N42 WeakPolarHBondContact O-CB 3.27Å; F38-N42 PolarHBondContact O-N 3.5Å; D39-N42 PolarHBondContact O-N 2.94Å; N42-R45 PolarHBondContact O-N 3.01Å; N42-R45 PolarHBondContact OD1-NH1 2.76Å; N42-R46 WeakPolarHBondContact O-CB 2.88Å; N42-R46 WeakPolarHBondContact O-CG 3.5Å; N42-R46 PolarHBondContact O-N 3.16Å; N42-R46 PolarHBondContact O-NE 3.28Å
43	A	52.8	Low	54.2	Low	39 Å²	39	91.2 Å²	91.2	32%	0.322	43%	0.425	S	S	.	.	H	α-helix	trans	-63.5	-43.8	170.1	0	0	0	0	0	111	D39 R46 S47	D39-A43 VanDerWaalsContact O-CB 3.28Å; D39-A43 WeakPolarHBondContact O-CB 3.24Å; D39-A43 PolarHBondContact O-N 3.46Å; A43-R46 PolarHBondContact O-N 2.94Å; A43-S47 WeakPolarHBondContact O-CB 3.34Å; A43-S47 PolarHBondContact O-N 3.19Å
44	R	57	Low	55.1	Low	156 Å²	156	88.7 Å²	88.7	59%	0.589	42%	0.419	S	S	*	.	H	α-helix	trans	-62.3	-41.2	173.3	-78.5	-179.4	-89.8	-167.1	-3.5	112.4	S40 Q41 R48	S40-R44 WeakPolarHBondContact O-CB 3.44Å; S40-R44 WeakPolarHBondContact O-CG 3.45Å; S40-R44 PolarHBondContact O-N 3.41Å; S40-R44 VanDerWaalsContact O-N 3.12Å; S40-R44 PolarHBondContact O-NE 3.21Å; S40-R44 VanDerWaalsContact O-NE 3.15Å; S40-R44 PolarHBondContact OG-NH2 2.8Å; Q41-R44 CarbonylContact O-C 3.59Å; Q41-R44 WeakPolarHBondContact O-CB 3.49Å; Q41-R44 PolarHBondContact O-N 3.47Å; R44-R48 WeakPolarHBondContact O-CB 3.1Å; R44-R48 PolarHBondContact O-N 3.36Å
45	R	54	Low	55.7	Low	100 Å²	100	88.7 Å²	88.7	38%	0.377	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-49	175	-72.1	-178.8	-179.8	100.6	6.2	111.4	Q41 N42 S47 R48 V49 I98	Q41-R45 WeakPolarHBondContact O-CG 3.45Å; Q41-R45 PolarHBondContact O-N 3.47Å; N42-R45 PolarHBondContact O-N 3.01Å; N42-R45 PolarHBondContact OD1-NH1 2.76Å; R45-S47 PolarHBondContact O-N 3.35Å; R45-R48 WeakPolarHBondContact O-CB 3.38Å; R45-R48 PolarHBondContact O-N 3Å; R45-R48 VanDerWaalsContact O-N 3.1Å; R45-V49 WeakPolarHBondContact O-CG2 3.44Å; R45-V49 PolarHBondContact O-N 2.87Å; R45-I98 HydrophobicContact CB-CD1 4.42Å; R45-I98 HydrophobicContact CB-CG1 4.17Å
46	R	58.6	Low	56.6	Low	137 Å²	137	83.4 Å²	83.4	52%	0.517	40%	0.398	S	S	.	.	H	α-helix	trans	-56.9	-46.7	175.3	-77.4	-178.4	-80.6	162.6	-8.5	112.3	D39 N42 A43 R48 V49 E50	D39-R46 IonicContact OD1-NH2 3.35Å; D39-R46 PolarHBondContact OD1-NH2 3.33Å; N42-R46 WeakPolarHBondContact O-CB 2.88Å; N42-R46 WeakPolarHBondContact O-CG 3.5Å; N42-R46 PolarHBondContact O-N 3.16Å; N42-R46 PolarHBondContact O-NE 3.28Å; A43-R46 PolarHBondContact O-N 2.94Å; R46-R48 VanDerWaalsContact C-N 3.3Å; R46-R48 PolarHBondContact O-N 3.4Å; R46-V49 PolarHBondContact O-N 2.95Å; R46-E50 PolarHBondContact O-N 2.96Å
47	S	58.7	Low	57.4	Low	67 Å²	67	81 Å²	81	47%	0.469	39%	0.391	S	S	.	.	H	α-helix	trans	-60.6	-38.7	175.9	-173.4	0	0	0	0	112.2	A43 R45 S51	A43-S47 WeakPolarHBondContact O-CB 3.34Å; A43-S47 PolarHBondContact O-N 3.19Å; R45-S47 PolarHBondContact O-N 3.35Å; S47-S51 WeakPolarHBondContact O-CB 3.41Å; S47-S51 PolarHBondContact O-N 3.41Å
48	R	61.8	Low	57.8	Low	182 Å²	182	79.1 Å²	79.1	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-67.5	-41.5	176.4	-165.4	176.9	-175.4	128.2	-3.5	112.1	R44 R45 R46 S51 L52	R44-R48 WeakPolarHBondContact O-CB 3.1Å; R44-R48 PolarHBondContact O-N 3.36Å; R45-R48 WeakPolarHBondContact O-CB 3.38Å; R45-R48 PolarHBondContact O-N 3Å; R45-R48 VanDerWaalsContact O-N 3.1Å; R46-R48 VanDerWaalsContact C-N 3.3Å; R46-R48 PolarHBondContact O-N 3.4Å; R48-S51 PolarHBondContact O-N 3.47Å; R48-L52 HydrophobicContact CG-CD1 4.41Å; R48-L52 WeakPolarHBondContact O-CB 3.43Å; R48-L52 PolarHBondContact O-N 3.25Å
49	V	60.6	Low	58.4	Low	13 Å²	13	82.2 Å²	82.2	8%	0.079	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-46.2	175.2	171.4	0	0	0	0	110.9	R45 R46 S51 L52 K53 I98	R45-V49 WeakPolarHBondContact O-CG2 3.44Å; R45-V49 PolarHBondContact O-N 2.87Å; R46-V49 PolarHBondContact O-N 2.95Å; V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 3.16Å; V49-L52 WeakPolarHBondContact O-CB 3.36Å; V49-L52 PolarHBondContact O-N 3.32Å; V49-L52 VanDerWaalsContact O-N 3.14Å; V49-K53 HydrophobicContact CG1-CD 4.49Å; V49-K53 HydrophobicContact CG1-CG 4.48Å; V49-K53 WeakPolarHBondContact O-CG 3.47Å; V49-K53 PolarHBondContact O-N 2.84Å; V49-I98 HydrophobicContact CG2-CD1 3.96Å
50	E	59.4	Low	58.7	Low	108 Å²	108	79.5 Å²	79.5	51%	0.505	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-37.8	176.7	-73	-56.6	139.5	0	0	112.4	R46 K53 K54	R46-E50 PolarHBondContact O-N 2.96Å; E50-K53 IonicContact OE1-NZ 3.33Å; E50-K53 PolarHBondContact OE1-NZ 3.49Å; E50-K54 WeakPolarHBondContact O-CB 3.44Å; E50-K54 PolarHBondContact O-N 2.91Å
51	S	65.2	Low	58.7	Low	63 Å²	63	82.9 Å²	82.9	44%	0.441	38%	0.384	S	S	.	.	H	α-helix	trans	-64.6	-38.6	172.1	-171.5	0	0	0	0	112.2	S47 R48 V49 K54 N55	S47-S51 WeakPolarHBondContact O-CB 3.41Å; S47-S51 PolarHBondContact O-N 3.41Å; R48-S51 PolarHBondContact O-N 3.47Å; V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 3.16Å; S51-K54 PolarHBondContact O-N 2.97Å; S51-N55 WeakPolarHBondContact O-CB 3.49Å; S51-N55 PolarHBondContact O-N 3.11Å; S51-N55 PolarHBondContact O-ND2 2.79Å
52	L	60.8	Low	58.8	Low	47 Å²	47	80.7 Å²	80.7	25%	0.246	38%	0.378	C	S	.	.	H	α-helix	trans	-66.8	-47.3	175.4	-97.9	156.9	0	0	0	111.8	R48 V49 K54 N55 L56 Y94	R48-L52 HydrophobicContact CG-CD1 4.41Å; R48-L52 WeakPolarHBondContact O-CB 3.43Å; R48-L52 PolarHBondContact O-N 3.25Å; V49-L52 WeakPolarHBondContact O-CB 3.36Å; V49-L52 PolarHBondContact O-N 3.32Å; V49-L52 VanDerWaalsContact O-N 3.14Å; L52-K54 VanDerWaalsContact C-N 3.26Å; L52-K54 PolarHBondContact O-N 3.22Å; L52-N55 PolarHBondContact O-N 3.34Å; L52-N55 VanDerWaalsContact O-N 3.11Å; L52-L56 WeakPolarHBondContact O-CB 3.2Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 3.18Å; L52-Y94 HydrophobicContact CD1-CD2 4.17Å; L52-Y94 HydrophobicContact CD1-CE1 4.43Å; L52-Y94 HydrophobicContact CD1-CE2 3.74Å
53	K	59	Low	58.9	Low	58 Å²	58	84.6 Å²	84.6	25%	0.252	40%	0.399	S	S	.	.	H	α-helix	trans	-51.7	-48.9	172.5	-74.9	-178.9	-176.9	170.2	0	110.7	V49 E50 N55 L56 L57 I91	V49-K53 HydrophobicContact CG1-CD 4.49Å; V49-K53 HydrophobicContact CG1-CG 4.48Å; V49-K53 WeakPolarHBondContact O-CG 3.47Å; V49-K53 PolarHBondContact O-N 2.84Å; E50-K53 IonicContact OE1-NZ 3.33Å; E50-K53 PolarHBondContact OE1-NZ 3.49Å; K53-N55 PolarHBondContact O-N 3.37Å; K53-L56 PolarHBondContact O-N 3.46Å; K53-L57 VanDerWaalsContact O-CB 3.27Å; K53-L57 WeakPolarHBondContact O-CB 3.35Å; K53-L57 PolarHBondContact O-N 2.96Å; K53-I91 HydrophobicContact CD-CD1 4.19Å; K53-I91 HydrophobicContact CG-CD1 3.63Å; K53-I91 HydrophobicContact CG-CG1 3.88Å
54	K	65.9	Low	58.8	Low	126 Å²	126	82.9 Å²	82.9	55%	0.548	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-45	177.4	-175.6	175.7	-178.7	170.3	0	112.4	E50 S51 L52 E58	E50-K54 WeakPolarHBondContact O-CB 3.44Å; E50-K54 PolarHBondContact O-N 2.91Å; S51-K54 PolarHBondContact O-N 2.97Å; L52-K54 VanDerWaalsContact C-N 3.26Å; L52-K54 PolarHBondContact O-N 3.22Å; K54-E58 VanDerWaalsContact O-CB 3.25Å; K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 PolarHBondContact O-N 2.82Å
55	N	63.9	Low	58.3	Low	83 Å²	83	82.1 Å²	82.1	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-66.8	-38.5	178.5	-82.2	-65	0	0	0	112.6	S51 L52 K53 E58 K59	S51-N55 WeakPolarHBondContact O-CB 3.49Å; S51-N55 PolarHBondContact O-N 3.11Å; S51-N55 PolarHBondContact O-ND2 2.79Å; L52-N55 PolarHBondContact O-N 3.34Å; L52-N55 VanDerWaalsContact O-N 3.11Å; K53-N55 PolarHBondContact O-N 3.37Å; N55-E58 PolarHBondContact O-N 3.15Å; N55-K59 WeakPolarHBondContact O-CB 3.44Å; N55-K59 WeakPolarHBondContact O-CG 3.21Å; N55-K59 PolarHBondContact O-N 3.17Å
56	L	63.2	Low	57.9	Low	39 Å²	39	81.4 Å²	81.4	20%	0.204	40%	0.403	C	S	.	.	H	α-helix	trans	-68.4	-43.2	177	-76.7	172.9	0	0	0	111.2	L52 K53 K59 S60 I87 T90	L52-L56 WeakPolarHBondContact O-CB 3.2Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 3.18Å; K53-L56 PolarHBondContact O-N 3.46Å; L56-K59 WeakPolarHBondContact O-CB 3.2Å; L56-K59 PolarHBondContact O-N 2.82Å; L56-S60 PolarHBondContact O-N 3.26Å; L56-S60 PolarHBondContact O-OG 2.85Å; L56-I87 HydrophobicContact CB-CD1 4.2Å; L56-I87 HydrophobicContact CB-CG1 4.12Å; L56-I87 HydrophobicContact CB-CG2 4.3Å; L56-I87 HydrophobicContact CD1-CG2 4.33Å; L56-T90 HydrophobicContact CD1-CG2 4.05Å
57	L	61.9	Low	57.4	Low	86 Å²	86	77.7 Å²	77.7	45%	0.45	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-42.8	173.2	-162.6	73.9	0	0	0	111.1	K53 K59 S60 Y61	K53-L57 VanDerWaalsContact O-CB 3.27Å; K53-L57 WeakPolarHBondContact O-CB 3.35Å; K53-L57 PolarHBondContact O-N 2.96Å; L57-K59 VanDerWaalsContact C-N 3.29Å; L57-K59 PolarHBondContact O-N 2.79Å; L57-S60 WeakPolarHBondContact CA-OG 3.3Å; L57-S60 PolarHBondContact O-N 2.91Å; L57-S60 PolarHBondContact O-OG 3.44Å; L57-Y61 HydrophobicContact CD1-CE2 4.25Å; L57-Y61 HydrophobicContact CD2-CE2 4.32Å; L57-Y61 HydrophobicContact CG-CD2 4.05Å; L57-Y61 HydrophobicContact CG-CE2 3.94Å; L57-Y61 VanDerWaalsContact O-CD2 3.29Å; L57-Y61 WeakPolarHBondContact O-CD2 3.41Å; L57-Y61 PolarHBondContact O-N 3.17Å
58	E	59.9	Low	56.9	Low	58 Å²	58	77.2 Å²	77.2	27%	0.271	40%	0.403	S	S	.	.	H	α-helix	trans	-64.5	-35	176.7	-166.9	170.2	-177.4	0	0	111.6	K54 N55 S62 R1009 K1015	K54-E58 VanDerWaalsContact O-CB 3.25Å; K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 PolarHBondContact O-N 2.82Å; N55-E58 PolarHBondContact O-N 3.15Å; E58-S62 WeakPolarHBondContact O-CB 3.32Å; E58-S62 PolarHBondContact O-N 3.1Å; E58-S62 VanDerWaalsContact O-N 3.13Å; E58-R1009 IonicContact OE1-NE 2.71Å; E58-K1015 IonicContact OE1-NZ 3.6Å; E58-K1015 PolarHBondContact OE1-NZ 3.36Å; E58-K1015 IonicContact OE2-NZ 2.83Å
59	K	60.4	Low	56.2	Low	145 Å²	145	71 Å²	71	63%	0.63	38%	0.384	S	S	*	.	H	α-helix	trans	-68.5	-44.9	172	-85.6	-176.7	177.5	-178.5	0	112.5	N55 L56 L57 S62 L63	N55-K59 WeakPolarHBondContact O-CB 3.44Å; N55-K59 WeakPolarHBondContact O-CG 3.21Å; N55-K59 PolarHBondContact O-N 3.17Å; L56-K59 WeakPolarHBondContact O-CB 3.2Å; L56-K59 PolarHBondContact O-N 2.82Å; L57-K59 VanDerWaalsContact C-N 3.29Å; L57-K59 PolarHBondContact O-N 2.79Å; K59-S62 WeakPolarHBondContact CA-OG 3.32Å; K59-S62 WeakPolarHBondContact O-CB 3.31Å; K59-S62 PolarHBondContact O-N 2.84Å; K59-S62 VanDerWaalsContact O-N 3.1Å; K59-S62 PolarHBondContact O-OG 3.32Å; K59-L63 PolarHBondContact O-N 3.32Å
60	S	55	Low	55.8	Low	9 Å²	9	78.4 Å²	78.4	6%	0.063	42%	0.422	C	S	.	.	H	α-helix	trans	-65.4	-42.1	179.7	55.5	0	0	0	0	111.9	L56 L57 S62 L63 G64	L56-S60 PolarHBondContact O-N 3.26Å; L56-S60 PolarHBondContact O-OG 2.85Å; L57-S60 WeakPolarHBondContact CA-OG 3.3Å; L57-S60 PolarHBondContact O-N 2.91Å; L57-S60 PolarHBondContact O-OG 3.44Å; S60-S62 VanDerWaalsContact C-N 3.27Å; S60-S62 PolarHBondContact O-N 3.48Å; S60-L63 PolarHBondContact O-N 3.43Å; S60-L63 VanDerWaalsContact O-N 3.13Å; S60-G64 PolarHBondContact O-N 3.1Å
61	Y	52.4	Low	55.6	Low	121 Å²	121	76.2 Å²	76.2	48%	0.475	42%	0.419	S	S	.	.	H	α-helix	trans	-59.7	-36.3	170.2	-87.6	-72.9	0	0	0	112.6	L57 L63 H65 L79	L57-Y61 HydrophobicContact CD1-CE2 4.25Å; L57-Y61 HydrophobicContact CD2-CE2 4.32Å; L57-Y61 HydrophobicContact CG-CD2 4.05Å; L57-Y61 HydrophobicContact CG-CE2 3.94Å; L57-Y61 VanDerWaalsContact O-CD2 3.29Å; L57-Y61 WeakPolarHBondContact O-CD2 3.41Å; L57-Y61 PolarHBondContact O-N 3.17Å; Y61-L63 VanDerWaalsContact C-N 3.35Å; Y61-H65 PolarHBondContact O-CD2 3.2Å; Y61-H65 PolarHBondContact O-N 3.4Å; Y61-L79 HydrophobicContact CE1-CD1 4.22Å
62	S	54.7	Low	55.3	Low	39 Å²	39	81.1 Å²	81.1	27%	0.273	43%	0.433	S	S	.	.	H	α-helix	trans	-67.8	-34.9	175.9	78.6	0	0	0	0	113	E58 K59 S60 A66 R1009	E58-S62 WeakPolarHBondContact O-CB 3.32Å; E58-S62 PolarHBondContact O-N 3.1Å; E58-S62 VanDerWaalsContact O-N 3.13Å; K59-S62 WeakPolarHBondContact CA-OG 3.32Å; K59-S62 WeakPolarHBondContact O-CB 3.31Å; K59-S62 PolarHBondContact O-N 2.84Å; K59-S62 VanDerWaalsContact O-N 3.1Å; K59-S62 PolarHBondContact O-OG 3.32Å; S60-S62 VanDerWaalsContact C-N 3.27Å; S60-S62 PolarHBondContact O-N 3.48Å; S62-A66 PolarHBondContact O-N 3.44Å; S62-R1009 VanDerWaalsContact CB-NH1 3.26Å
63	L	50.8	Low	55.2	Low	101 Å²	101	86.5 Å²	86.5	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-71.5	-40.4	179.4	-152.2	76.5	0	0	0	111.3	K59 S60 Y61 H65 A66 S67	K59-L63 PolarHBondContact O-N 3.32Å; S60-L63 PolarHBondContact O-N 3.43Å; S60-L63 VanDerWaalsContact O-N 3.13Å; Y61-L63 VanDerWaalsContact C-N 3.35Å; L63-H65 VanDerWaalsContact C-N 3.29Å; L63-H65 PolarHBondContact O-N 3.08Å; L63-A66 PolarHBondContact O-N 3.46Å; L63-A66 VanDerWaalsContact O-N 3.13Å; L63-S67 PolarHBondContact O-N 3.4Å; L63-S67 VanDerWaalsContact O-N 3.15Å; L63-S67 PolarHBondContact O-OG 2.93Å
64	G	51.4	Low	55.4	Low	3 Å²	3	85 Å²	85	3%	0.031	46%	0.455	C	S	.	.	H	α-helix	trans	-62.3	-31.5	175.9	0	0	0	0	0	114	S60 S67	S60-G64 PolarHBondContact O-N 3.1Å; G64-S67 PolarHBondContact O-OG 3.48Å
65	H	46.6	Very low	55.1	Low	139 Å²	139	81.3 Å²	81.3	64%	0.644	44%	0.44	S	S	*	.	H	α-helix	trans	-79.7	-28.2	173.1	-83.3	-68	0	0	0	113.5	Y61 L63 S67	Y61-H65 PolarHBondContact O-CD2 3.2Å; Y61-H65 PolarHBondContact O-N 3.4Å; L63-H65 VanDerWaalsContact C-N 3.29Å; L63-H65 PolarHBondContact O-N 3.08Å; H65-S67 VanDerWaalsContact C-N 3.34Å
66	A	45.5	Very low	55	Low	85 Å²	85	82.7 Å²	82.7	70%	0.702	44%	0.444	S	S	*	.	H	α-helix	trans	-77.3	-20.1	179.2	0	0	0	0	0	112.9	S62 L63 G68	S62-A66 PolarHBondContact O-N 3.44Å; L63-A66 PolarHBondContact O-N 3.46Å; L63-A66 VanDerWaalsContact O-N 3.13Å; A66-G68 VanDerWaalsContact C-N 3.3Å; A66-G68 PolarHBondContact O-N 2.97Å
67	S	49	Very low	55.2	Low	60 Å²	60	87 Å²	87	42%	0.42	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3	-177.9	55.3	0	0	0	0	114.7	L63 G64 H65 I69	L63-S67 PolarHBondContact O-N 3.4Å; L63-S67 VanDerWaalsContact O-N 3.15Å; L63-S67 PolarHBondContact O-OG 2.93Å; G64-S67 PolarHBondContact O-OG 3.48Å; H65-S67 VanDerWaalsContact C-N 3.34Å; S67-I69 PolarHBondContact O-N 3.37Å; S67-I69 VanDerWaalsContact O-N 3.16Å; S67-I69 WeakPolarHBondContact OG-CD1 3.24Å
68	G	47.5	Very low	55.4	Low	56 Å²	56	85.3 Å²	85.3	58%	0.577	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	19.2	174.2	0	0	0	0	0	114.7	A66 N70	A66-G68 VanDerWaalsContact C-N 3.3Å; A66-G68 PolarHBondContact O-N 2.97Å; G68-N70 PolarHBondContact O-N 3.14Å
69	I	48	Very low	55.5	Low	53 Å²	53	84 Å²	84	27%	0.272	45%	0.451	S	S	.	.			trans	-81.8	110.2	-177.1	-57	175.3	0	0	0	108.6	S67 A74 V78	S67-I69 PolarHBondContact O-N 3.37Å; S67-I69 VanDerWaalsContact O-N 3.16Å; S67-I69 WeakPolarHBondContact OG-CD1 3.24Å; I69-A74 HydrophobicContact CG2-CB 3.41Å; I69-A74 VanDerWaalsContact CG2-CB 3.41Å; I69-V78 HydrophobicContact CD1-CG2 4Å
70	N	50.5	Low	55.8	Low	167 Å²	167	80.4 Å²	80.4	89%	0.893	44%	0.444	S	S	*	.			trans	-93	6.4	-174.8	-72	-25.1	0	0	0	114.6	G68	G68-N70 PolarHBondContact O-N 3.14Å
71	S	56.9	Low	56.5	Low	62 Å²	62	88 Å²	88	43%	0.434	47%	0.472	S	S	.	.			trans	-106.1	132.3	170.6	68.1	0	0	0	0	111.1	E73 A74 M75	S71-E73 VanDerWaalsContact C-N 3.31Å; S71-E73 PolarHBondContact O-N 2.65Å; S71-A74 PolarHBondContact O-N 2.98Å; S71-A74 VanDerWaalsContact OG-CB 3.25Å; S71-A74 WeakPolarHBondContact OG-CB 3.34Å; S71-M75 PolarHBondContact O-N 3.06Å
72	F	57.5	Low	57	Low	167 Å²	167	83.6 Å²	83.6	73%	0.732	46%	0.456	S	S	*	.	H	α-helix	trans	-59.8	-40.2	-178	-176.1	-96.5	0	0	0	112.1	A74 M75 E76	F72-A74 PolarHBondContact O-N 3.46Å; F72-M75 WeakPolarHBondContact O-CB 3.49Å; F72-M75 PolarHBondContact O-N 2.98Å; F72-E76 PolarHBondContact O-N 3Å; F72-E76 VanDerWaalsContact O-N 3.09Å
73	E	60.2	Low	57.5	Low	159 Å²	159	84.4 Å²	84.4	74%	0.743	46%	0.459	S	S	*	.	H	α-helix	trans	-62.3	-42.7	178.3	-68.1	174.8	171	0	0	112.6	S71 M75 E76 E77	S71-E73 VanDerWaalsContact C-N 3.31Å; S71-E73 PolarHBondContact O-N 2.65Å; E73-M75 VanDerWaalsContact C-N 3.32Å; E73-M75 PolarHBondContact O-N 3.03Å; E73-E76 PolarHBondContact O-N 3.25Å; E73-E77 PolarHBondContact O-N 3.1Å
74	A	62.1	Low	58.3	Low	27 Å²	27	83.3 Å²	83.3	22%	0.223	46%	0.46	C	S	.	.	H	α-helix	trans	-71.8	-27.2	179.2	0	0	0	0	0	112.5	I69 S71 F72 V78	I69-A74 HydrophobicContact CG2-CB 3.41Å; I69-A74 VanDerWaalsContact CG2-CB 3.41Å; S71-A74 PolarHBondContact O-N 2.98Å; S71-A74 VanDerWaalsContact OG-CB 3.25Å; S71-A74 WeakPolarHBondContact OG-CB 3.34Å; F72-A74 PolarHBondContact O-N 3.46Å; A74-V78 VanDerWaalsContact O-CG2 3.25Å; A74-V78 WeakPolarHBondContact O-CG2 3.45Å; A74-V78 PolarHBondContact O-N 3.04Å
75	M	59	Low	59	Low	48 Å²	48	87.4 Å²	87.4	24%	0.236	48%	0.481	C	S	.	.	H	α-helix	trans	-69	-42.1	172.1	-171.3	-178.4	-62.6	0	0	111.4	S71 F72 E73 V78 L79	S71-M75 PolarHBondContact O-N 3.06Å; F72-M75 WeakPolarHBondContact O-CB 3.49Å; F72-M75 PolarHBondContact O-N 2.98Å; E73-M75 VanDerWaalsContact C-N 3.32Å; E73-M75 PolarHBondContact O-N 3.03Å; M75-V78 PolarHBondContact O-N 3.19Å; M75-L79 HydrophobicContact CG-CD1 4.12Å; M75-L79 WeakPolarHBondContact O-CB 2.93Å; M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.46Å; M75-L79 PolarHBondContact O-N 3.38Å
76	E	62.2	Low	59.6	Low	113 Å²	113	86.2 Å²	86.2	53%	0.528	48%	0.475	S	S	.	.	H	α-helix	trans	-65	-40.2	178.2	-166.9	174.6	-170	0	0	111.8	F72 E73 L79 S80	F72-E76 PolarHBondContact O-N 3Å; F72-E76 VanDerWaalsContact O-N 3.09Å; E73-E76 PolarHBondContact O-N 3.25Å; E76-L79 PolarHBondContact O-N 3.14Å; E76-S80 VanDerWaalsContact O-CB 3.3Å; E76-S80 WeakPolarHBondContact O-CB 3.44Å; E76-S80 PolarHBondContact O-N 3.29Å; E76-S80 PolarHBondContact O-OG 2.91Å
77	E	68.8	Low	60.3	Low	130 Å²	130	82.9 Å²	82.9	61%	0.607	45%	0.446	S	S	*	.	H	α-helix	trans	-64.1	-44.6	176	-162	-177.7	-178.8	0	0	111.9	E73 S80 R81	E73-E77 PolarHBondContact O-N 3.1Å; E77-S80 PolarHBondContact O-N 3.07Å; E77-R81 WeakPolarHBondContact O-CB 3.33Å; E77-R81 PolarHBondContact O-N 3.29Å
78	V	65.7	Low	61.2	Low	49 Å²	49	82.1 Å²	82.1	30%	0.297	44%	0.44	S	S	.	.	H	α-helix	trans	-66.4	-38.4	177.1	170.9	0	0	0	0	112	I69 A74 M75 N82	I69-V78 HydrophobicContact CD1-CG2 4Å; A74-V78 VanDerWaalsContact O-CG2 3.25Å; A74-V78 WeakPolarHBondContact O-CG2 3.45Å; A74-V78 PolarHBondContact O-N 3.04Å; M75-V78 PolarHBondContact O-N 3.19Å; V78-N82 WeakPolarHBondContact O-CB 3.33Å; V78-N82 PolarHBondContact O-N 3.28Å; V78-N82 PolarHBondContact O-ND2 2.64Å
79	L	61.4	Low	62.1	Low	30 Å²	30	82.3 Å²	82.3	16%	0.157	43%	0.431	C	S	.	.	H	α-helix	trans	-66.2	-45	174.8	-75.7	170.8	0	0	0	110.9	Y61 M75 E76 R81 N82 V83	Y61-L79 HydrophobicContact CE1-CD1 4.22Å; M75-L79 HydrophobicContact CG-CD1 4.12Å; M75-L79 WeakPolarHBondContact O-CB 2.93Å; M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.46Å; M75-L79 PolarHBondContact O-N 3.38Å; E76-L79 PolarHBondContact O-N 3.14Å; L79-R81 PolarHBondContact O-N 3.21Å; L79-N82 PolarHBondContact O-N 3.4Å; L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.44Å; L79-V83 PolarHBondContact O-N 3.44Å
80	S	67.1	Low	62.7	Low	70 Å²	70	82.3 Å²	82.3	49%	0.49	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-43.8	178.6	-60.5	0	0	0	0	111.8	E76 E77 V83 S84	E76-S80 VanDerWaalsContact O-CB 3.3Å; E76-S80 WeakPolarHBondContact O-CB 3.44Å; E76-S80 PolarHBondContact O-N 3.29Å; E76-S80 PolarHBondContact O-OG 2.91Å; E77-S80 PolarHBondContact O-N 3.07Å; S80-V83 PolarHBondContact O-N 2.68Å; S80-S84 PolarHBondContact O-N 3.26Å
81	R	70.1	Confident	63	Low	170 Å²	170	75.9 Å²	75.9	64%	0.642	40%	0.4	S	S	*	.	H	α-helix	trans	-62.1	-47	173.7	-117.5	-179.6	-179.4	166.2	2.4	112.6	E77 L79 V83 S84 D85	E77-R81 WeakPolarHBondContact O-CB 3.33Å; E77-R81 PolarHBondContact O-N 3.29Å; L79-R81 PolarHBondContact O-N 3.21Å; R81-V83 VanDerWaalsContact C-N 3.29Å; R81-V83 PolarHBondContact O-N 2.81Å; R81-S84 PolarHBondContact O-N 3.28Å; R81-D85 WeakPolarHBondContact O-CB 3.28Å; R81-D85 PolarHBondContact O-N 3.13Å
82	N	61.6	Low	63.2	Low	28 Å²	28	79 Å²	79	15%	0.15	41%	0.407	C	S	.	.	H	α-helix	trans	-62	-37	178	-83.4	-53.5	0	0	0	112.6	V78 L79 H86 I87	V78-N82 WeakPolarHBondContact O-CB 3.33Å; V78-N82 PolarHBondContact O-N 3.28Å; V78-N82 PolarHBondContact O-ND2 2.64Å; L79-N82 PolarHBondContact O-N 3.4Å; N82-H86 WeakPolarHBondContact O-CB 3.31Å; N82-H86 PolarHBondContact O-N 3.13Å; N82-I87 PolarHBondContact O-N 3.4Å
83	V	65.6	Low	63.3	Low	56 Å²	56	73.6 Å²	73.6	34%	0.339	39%	0.393	S	S	.	.	I	π-helix	trans	-63.3	-49.5	174.8	172.4	0	0	0	0	109.8	L79 S80 R81 I87 S88	L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.44Å; L79-V83 PolarHBondContact O-N 3.44Å; S80-V83 PolarHBondContact O-N 2.68Å; R81-V83 VanDerWaalsContact C-N 3.29Å; R81-V83 PolarHBondContact O-N 2.81Å; V83-I87 HydrophobicContact CG2-CD1 4.14Å; V83-I87 PolarHBondContact O-N 3.47Å; V83-S88 PolarHBondContact O-N 3.26Å; V83-S88 PolarHBondContact O-OG 2.65Å
84	S	67	Low	62.8	Low	77 Å²	77	70.2 Å²	70.2	54%	0.538	37%	0.374	S	S	.	.	I	π-helix	trans	-65.6	-45.9	-179.1	-169.1	0	0	0	0	113.8	S80 R81 P89	S80-S84 PolarHBondContact O-N 3.26Å; R81-S84 PolarHBondContact O-N 3.28Å; S84-P89 WeakPolarHBondContact O-CD 3.35Å
85	D	66.6	Low	62.1	Low	90 Å²	90	73.6 Å²	73.6	48%	0.481	39%	0.385	S	S	.	.	I	π-helix	trans	-86.8	-24.3	-168.5	-63.9	-16.9	0	0	0	113.3	R81	R81-D85 WeakPolarHBondContact O-CB 3.28Å; R81-D85 PolarHBondContact O-N 3.13Å
86	H	59.6	Low	61.8	Low	113 Å²	113	75.9 Å²	75.9	52%	0.523	41%	0.406	S	S	.	.	I	π-helix	trans	-128.1	-42.6	-171.5	-59.9	-42.4	0	0	0	113.7	N82 T90	N82-H86 WeakPolarHBondContact O-CB 3.31Å; N82-H86 PolarHBondContact O-N 3.13Å; H86-T90 WeakPolarHBondContact O-CB 3.46Å; H86-T90 PolarHBondContact O-OG1 3.14Å
87	I	59.5	Low	60.8	Low	15 Å²	15	77.2 Å²	77.2	8%	0.077	41%	0.412	C	S	.	.	I	π-helix	trans	-81.1	-49.2	-173.2	-57.5	-178.5	0	0	0	110.8	L56 N82 V83 T90 I91	L56-I87 HydrophobicContact CB-CD1 4.2Å; L56-I87 HydrophobicContact CB-CG1 4.12Å; L56-I87 HydrophobicContact CB-CG2 4.3Å; L56-I87 HydrophobicContact CD1-CG2 4.33Å; N82-I87 PolarHBondContact O-N 3.4Å; V83-I87 HydrophobicContact CG2-CD1 4.14Å; V83-I87 PolarHBondContact O-N 3.47Å; I87-T90 PolarHBondContact O-N 3.38Å; I87-I91 HydrophobicContact CG2-CD1 3.55Å; I87-I91 HydrophobicContact CG2-CG1 4.32Å; I87-I91 VanDerWaalsContact O-CG1 3.28Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.36Å
88	S	68.4	Low	59.4	Low	44 Å²	44	72.5 Å²	72.5	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-59.6	-49	-179.5	-61.3	0	0	0	0	113	V83 T90 I91 E92	V83-S88 PolarHBondContact O-N 3.26Å; V83-S88 PolarHBondContact O-OG 2.65Å; S88-T90 VanDerWaalsContact C-N 3.31Å; S88-T90 PolarHBondContact O-N 3.35Å; S88-I91 PolarHBondContact O-N 3.03Å; S88-E92 WeakPolarHBondContact O-CG 3.49Å; S88-E92 PolarHBondContact O-N 2.74Å
89	P	67.5	Low	58	Low	60 Å²	60	72.2 Å²	72.2	39%	0.39	40%	0.399	S	S	.	.	H	α-helix	trans	-64.9	-35.4	179.6	-20.7	33.5	0	0	0	112.6	S84 E92 A93	S84-P89 WeakPolarHBondContact O-CD 3.35Å; P89-E92 PolarHBondContact O-N 2.64Å; P89-A93 WeakPolarHBondContact O-CB 3.42Å; P89-A93 PolarHBondContact O-N 3.03Å
90	T	59	Low	56.4	Low	54 Å²	54	76 Å²	76	33%	0.331	42%	0.423	S	S	.	.	H	α-helix	trans	-66.5	-41	176.7	-57.3	0	0	0	0	111	L56 H86 I87 S88 Y94	L56-T90 HydrophobicContact CD1-CG2 4.05Å; H86-T90 WeakPolarHBondContact O-CB 3.46Å; H86-T90 PolarHBondContact O-OG1 3.14Å; I87-T90 PolarHBondContact O-N 3.38Å; S88-T90 VanDerWaalsContact C-N 3.31Å; S88-T90 PolarHBondContact O-N 3.35Å; T90-Y94 HydrophobicContact CG2-CD2 3.98Å; T90-Y94 HydrophobicContact CG2-CE2 3.91Å; T90-Y94 WeakPolarHBondContact O-CD2 3.35Å; T90-Y94 PolarHBondContact O-N 3Å; T90-Y94 VanDerWaalsContact O-N 3.15Å
91	I	57.1	Low	54.4	Low	32 Å²	32	79.3 Å²	79.3	16%	0.164	43%	0.434	C	S	.	.	H	α-helix	trans	-66.7	-44.7	176.7	-67.7	164.5	0	0	0	110.5	K53 I87 S88 Y94 Q95	K53-I91 HydrophobicContact CD-CD1 4.19Å; K53-I91 HydrophobicContact CG-CD1 3.63Å; K53-I91 HydrophobicContact CG-CG1 3.88Å; I87-I91 HydrophobicContact CG2-CD1 3.55Å; I87-I91 HydrophobicContact CG2-CG1 4.32Å; I87-I91 VanDerWaalsContact O-CG1 3.28Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.36Å; S88-I91 PolarHBondContact O-N 3.03Å; I91-Y94 PolarHBondContact O-N 2.94Å; I91-Q95 HydrophobicContact CG2-CG 4.2Å; I91-Q95 WeakPolarHBondContact O-CB 3.02Å; I91-Q95 WeakPolarHBondContact O-CG 3.38Å; I91-Q95 PolarHBondContact O-N 3.46Å
92	E	61.1	Low	52.2	Low	128 Å²	128	78.1 Å²	78.1	60%	0.598	44%	0.44	S	S	*	.	H	α-helix	trans	-61.1	-43.6	178.3	-76.1	176.3	-176.1	0	0	111.8	S88 P89 Y94 Q95 S96	S88-E92 WeakPolarHBondContact O-CG 3.49Å; S88-E92 PolarHBondContact O-N 2.74Å; P89-E92 PolarHBondContact O-N 2.64Å; E92-Y94 VanDerWaalsContact C-N 3.32Å; E92-Y94 PolarHBondContact O-N 2.82Å; E92-Q95 PolarHBondContact O-N 3.32Å; E92-Q95 VanDerWaalsContact O-N 3.15Å; E92-S96 PolarHBondContact O-N 3.28Å; E92-S96 PolarHBondContact O-OG 3.16Å
93	A	60.4	Low	50.4	Low	53 Å²	53	83.6 Å²	83.6	44%	0.438	47%	0.469	S	S	.	.	H	α-helix	trans	-61.2	-37.9	174.6	0	0	0	0	0	112.7	P89 S96 E97	P89-A93 WeakPolarHBondContact O-CB 3.42Å; P89-A93 PolarHBondContact O-N 3.03Å; A93-S96 PolarHBondContact O-OG 3.39Å; A93-E97 PolarHBondContact O-N 3.01Å
94	Y	49.8	Very low	48.3	Very low	88 Å²	88	87.1 Å²	87.1	35%	0.345	49%	0.493	S	S	.	.	H	α-helix	trans	-74.5	-31	174	-85.6	-63.1	0	0	0	113.1	L52 T90 I91 E92 E97 I98	L52-Y94 HydrophobicContact CD1-CD2 4.17Å; L52-Y94 HydrophobicContact CD1-CE1 4.43Å; L52-Y94 HydrophobicContact CD1-CE2 3.74Å; T90-Y94 HydrophobicContact CG2-CD2 3.98Å; T90-Y94 HydrophobicContact CG2-CE2 3.91Å; T90-Y94 WeakPolarHBondContact O-CD2 3.35Å; T90-Y94 PolarHBondContact O-N 3Å; T90-Y94 VanDerWaalsContact O-N 3.15Å; I91-Y94 PolarHBondContact O-N 2.94Å; E92-Y94 VanDerWaalsContact C-N 3.32Å; E92-Y94 PolarHBondContact O-N 2.82Å; Y94-E97 PolarHBondContact O-N 3.16Å; Y94-I98 WeakPolarHBondContact O-CG1 3.37Å; Y94-I98 PolarHBondContact O-N 3.14Å
95	Q	47.5	Very low	46.4	Very low	97 Å²	97	87 Å²	87	45%	0.453	50%	0.504	S	S	.	.	H	α-helix	trans	-71.3	-33.5	176.2	-78.7	-179.7	-31.5	0	0	111.7	I91 E92 E97 I98	I91-Q95 HydrophobicContact CG2-CG 4.2Å; I91-Q95 WeakPolarHBondContact O-CB 3.02Å; I91-Q95 WeakPolarHBondContact O-CG 3.38Å; I91-Q95 PolarHBondContact O-N 3.46Å; E92-Q95 PolarHBondContact O-N 3.32Å; E92-Q95 VanDerWaalsContact O-N 3.15Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-I98 PolarHBondContact O-N 3.24Å
96	S	51.8	Low	44.4	Very low	97 Å²	97	87.9 Å²	87.9	68%	0.678	52%	0.516	S	S	*	.	H	α-helix	trans	-70.5	-27.7	174.1	64.9	0	0	0	0	113.1	E92 A93	E92-S96 PolarHBondContact O-N 3.28Å; E92-S96 PolarHBondContact O-OG 3.16Å; A93-S96 PolarHBondContact O-OG 3.39Å
97	E	42	Very low	42.8	Very low	140 Å²	140	92.1 Å²	92.1	65%	0.654	53%	0.533	S	S	*	.	H	α-helix	trans	-72.2	-24.6	171.1	-76.6	-177.1	176.5	0	0	113.7	A93 Y94 Q95 G99	A93-E97 PolarHBondContact O-N 3.01Å; Y94-E97 PolarHBondContact O-N 3.16Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; E97-G99 VanDerWaalsContact C-N 3.33Å; E97-G99 PolarHBondContact O-N 3Å
98	I	39.7	Very low	41.4	Very low	31 Å²	31	98 Å²	98	16%	0.159	56%	0.564	C	S	.	*	S	Bend	trans	-75.3	93.9	173.2	-62.3	168.6	0	0	0	106.2	R45 V49 Y94 Q95 V100	R45-I98 HydrophobicContact CB-CD1 4.42Å; R45-I98 HydrophobicContact CB-CG1 4.17Å; V49-I98 HydrophobicContact CG2-CD1 3.96Å; Y94-I98 WeakPolarHBondContact O-CG1 3.37Å; Y94-I98 PolarHBondContact O-N 3.14Å; Q95-I98 PolarHBondContact O-N 3.24Å; I98-V100 VanDerWaalsContact C-N 3.29Å; I98-V100 PolarHBondContact O-N 2.89Å
99	G	36.1	Very low	39.5	Very low	44 Å²	44	104.4 Å²	104.4	45%	0.454	59%	0.589	S	S	.	*			trans	-50.1	91.4	176	0	0	0	0	0	111.7	E97 L101	E97-G99 VanDerWaalsContact C-N 3.33Å; E97-G99 PolarHBondContact O-N 3Å; G99-L101 PolarHBondContact O-N 3.12Å
100	V	28.3	Very low	37.8	Very low	109 Å²	109	107.2 Å²	107.2	66%	0.661	60%	0.596	S	S	*	*			trans	-66.7	127.5	161.2	179.8	0	0	0	0	104.5	I98 N102	I98-V100 VanDerWaalsContact C-N 3.29Å; I98-V100 PolarHBondContact O-N 2.89Å; V100-N102 PolarHBondContact O-N 3.13Å
101	L	23.9	Very low	36.8	Very low	139 Å²	139	111 Å²	111	73%	0.728	62%	0.619	S	S	*	*			trans	-51.3	94.2	166.2	-98.6	135.5	0	0	0	108.1	G99 L103	G99-L101 PolarHBondContact O-N 3.12Å; L101-L103 VanDerWaalsContact C-N 3.28Å; L101-L103 PolarHBondContact O-N 3.45Å
102	N	24.1	Very low	35.8	Very low	145 Å²	145	112.5 Å²	112.5	78%	0.775	63%	0.632	S	S	*	*			trans	-72.4	91.2	170.7	-84.9	-26.2	0	0	0	106.5	V100	V100-N102 PolarHBondContact O-N 3.13Å
103	L	23.2	Very low	34.5	Very low	143 Å²	143	113.2 Å²	113.2	75%	0.749	64%	0.64	S	S	*	*			trans	-60.5	128.6	162.8	-78	161.4	0	0	0	107.6	L101 G105	L101-L103 VanDerWaalsContact C-N 3.28Å; L101-L103 PolarHBondContact O-N 3.45Å; L103-G105 PolarHBondContact O-N 3.39Å
104	P	22.5	Very low	33.3	Very low	130 Å²	130	118.6 Å²	118.6	84%	0.844	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	124.8	-173.2	26.6	-32.2	0	0	0	109.7
105	G	26.8	Very low	32.5	Very low	75 Å²	75	119.4 Å²	119.4	77%	0.773	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.7	-16.1	168.6	0	0	0	0	0	116.7	L103 K107	L103-G105 PolarHBondContact O-N 3.39Å; G105-K107 PolarHBondContact O-N 2.97Å
106	C	23.4	Very low	32	Very low	108 Å²	108	118.9 Å²	118.9	73%	0.73	66%	0.663	S	S	*	*			trans	-95.4	89.7	177.6	-72.6	0	0	0	0	110.7	N108	C106-N108 PolarHBondContact O-N 2.89Å
107	K	27.1	Very low	31.2	Very low	203 Å²	203	119.4 Å²	119.4	88%	0.883	66%	0.658	S	S	*	*			trans	-67.2	122.9	163.9	-74	-176.9	175.9	-178.2	0	108.4	G105 E109	G105-K107 PolarHBondContact O-N 2.97Å; K107-E109 PolarHBondContact O-N 3.08Å; K107-E109 VanDerWaalsContact O-N 3.1Å
108	N	29.2	Very low	30.8	Very low	137 Å²	137	118.7 Å²	118.7	73%	0.733	65%	0.654	S	S	*	*			trans	-66.7	95.7	-179.6	-72.8	-28.4	0	0	0	111.6	C106	C106-N108 PolarHBondContact O-N 2.89Å
109	E	28.4	Very low	30.3	Very low	179 Å²	179	124.2 Å²	124.2	84%	0.836	67%	0.673	S	S	*	*			trans	-137.6	84.8	154	-76.4	-172.8	167.6	0	0	107.7	K107	K107-E109 PolarHBondContact O-N 3.08Å; K107-E109 VanDerWaalsContact O-N 3.1Å
110	F	31.6	Very low	30.1	Very low	119 Å²	119	126.8 Å²	126.8	52%	0.522	68%	0.675	S	S	.	*			trans	-106.9	106	171.5	-66.2	-75.8	0	0	0	108
111	T	39.4	Very low	30.1	Very low	135 Å²	135	129.5 Å²	129.5	83%	0.828	68%	0.678	S	S	*	*			trans	-98.8	6.4	-174.7	46.9	0	0	0	0	114.7
112	S	36	Very low	30.2	Very low	62 Å²	62	128.5 Å²	128.5	43%	0.434	67%	0.673	S	S	.	*			trans	-161.8	146	163.3	73.2	0	0	0	0	115.3	Q114 E115	S112-Q114 PolarHBondContact O-N 3.42Å; S112-E115 PolarHBondContact O-N 2.98Å
113	D	33.1	Very low	30.3	Very low	143 Å²	143	129.6 Å²	129.6	77%	0.765	67%	0.673	S	S	*	*	H	α-helix	trans	-59.9	-24.8	179.5	-70.7	-28.7	0	0	0	114.4	L117	D113-L117 PolarHBondContact O-N 2.75Å
114	Q	36.1	Very low	30.3	Very low	166 Å²	166	130.8 Å²	130.8	78%	0.776	68%	0.675	S	S	*	*	H	α-helix	trans	-70.9	-32.2	-178.5	-69.6	-173.8	-7.7	0	0	112.3	S112 L117 H118	S112-Q114 PolarHBondContact O-N 3.42Å; Q114-L117 PolarHBondContact O-N 3.11Å; Q114-H118 PolarHBondContact O-N 3.32Å
115	E	33	Very low	30.2	Very low	105 Å²	105	131.7 Å²	131.7	49%	0.491	67%	0.667	S	S	.	*	H	α-helix	trans	-76.3	-34.8	-179.8	-166.5	160.3	-179	0	0	112	S112 L117 H118 R119	S112-E115 PolarHBondContact O-N 2.98Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-H118 PolarHBondContact O-N 3.06Å; E115-R119 PolarHBondContact O-N 3.45Å; E115-R119 VanDerWaalsContact O-N 3.1Å
116	L	35.5	Very low	30.2	Very low	86 Å²	86	133.2 Å²	133.2	45%	0.45	66%	0.664	S	S	.	*	H	α-helix	trans	-60	-45.4	170.8	-165.2	84.8	0	0	0	110.8	R119 I120	L116-R119 PolarHBondContact O-N 2.63Å; L116-I120 HydrophobicContact CD2-CD1 4.25Å; L116-I120 HydrophobicContact CG-CD1 4.06Å; L116-I120 VanDerWaalsContact O-CG1 3.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 2.78Å
117	L	36.1	Very low	30.1	Very low	108 Å²	108	135.1 Å²	135.1	57%	0.565	67%	0.667	S	S	*	*	H	α-helix	trans	-67.6	-36.6	179.4	-129.4	84.8	0	0	0	112.7	D113 Q114 E115 K121	D113-L117 PolarHBondContact O-N 2.75Å; Q114-L117 PolarHBondContact O-N 3.11Å; E115-L117 VanDerWaalsContact C-N 3.35Å; L117-K121 PolarHBondContact O-N 3.37Å
118	H	33.9	Very low	29.8	Very low	125 Å²	125	135.6 Å²	135.6	58%	0.579	67%	0.669	S	S	*	*	H	α-helix	trans	-66.4	-37.1	177.4	-166.2	-86.2	0	0	0	111.7	Q114 E115 L122	Q114-H118 PolarHBondContact O-N 3.32Å; E115-H118 PolarHBondContact O-N 3.06Å; H118-L122 PolarHBondContact O-N 3.17Å
119	R	29	Very low	29.4	Very low	147 Å²	147	132.3 Å²	132.3	56%	0.555	67%	0.668	S	S	*	*	H	α-helix	trans	-78.4	-34.8	176.2	-79.3	-169.3	178.2	159.3	5.3	114.1	E115 L116 K121 L122 H123	E115-R119 PolarHBondContact O-N 3.45Å; E115-R119 VanDerWaalsContact O-N 3.1Å; L116-R119 PolarHBondContact O-N 2.63Å; R119-K121 PolarHBondContact O-N 3.23Å; R119-L122 PolarHBondContact O-N 3.49Å; R119-H123 PolarHBondContact O-N 3.47Å
120	I	31.7	Very low	29.1	Very low	98 Å²	98	133.3 Å²	133.3	50%	0.503	67%	0.67	S	S	.	*	H	α-helix	trans	-58.9	-35	171.7	-69.7	165.5	0	0	0	110.6	L116	L116-I120 HydrophobicContact CD2-CD1 4.25Å; L116-I120 HydrophobicContact CG-CD1 4.06Å; L116-I120 VanDerWaalsContact O-CG1 3.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 2.78Å
121	K	27.9	Very low	28.7	Very low	166 Å²	166	136.3 Å²	136.3	72%	0.722	69%	0.69	S	S	*	*	H	α-helix	trans	-69.8	-28	175.2	-81.6	-178.8	175.7	179.7	0	114.4	L117 R119	L117-K121 PolarHBondContact O-N 3.37Å; R119-K121 PolarHBondContact O-N 3.23Å
122	L	26.3	Very low	27.9	Very low	118 Å²	118	137.1 Å²	137.1	62%	0.618	69%	0.69	S	S	*	*	H	α-helix	trans	-85.6	-20.3	179.7	-81.6	162.7	0	0	0	113.5	H118 R119 H124	H118-L122 PolarHBondContact O-N 3.17Å; R119-L122 PolarHBondContact O-N 3.49Å; L122-H124 VanDerWaalsContact C-N 3.32Å; L122-H124 PolarHBondContact O-N 3.25Å
123	H	25.9	Very low	27.3	Very low	168 Å²	168	139.4 Å²	139.4	78%	0.778	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	12.1	-177.5	-105.6	-78.8	0	0	0	115.4	R119	R119-H123 PolarHBondContact O-N 3.47Å
124	H	24.4	Very low	26.8	Very low	169 Å²	169	141.5 Å²	141.5	78%	0.782	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	22.8	176.5	-99.5	-59.6	0	0	0	114.3	L122	L122-H124 VanDerWaalsContact C-N 3.32Å; L122-H124 PolarHBondContact O-N 3.25Å
125	E	20.3	Very low	26.2	Very low	148 Å²	148	143 Å²	143	69%	0.692	72%	0.718	S	S	*	*	S	Bend	trans	-108	121.6	164.1	-92	-78.7	153.9	0	0	109.1	D127	E125-D127 PolarHBondContact O-N 2.64Å; E125-D127 VanDerWaalsContact O-N 3.13Å
126	P	24.9	Very low	25.8	Very low	107 Å²	107	147 Å²	147	70%	0.695	74%	0.736	S	S	*	*			trans	-86.1	79.8	-174.5	34.9	-31.7	0	0	0	110.4	F128	P126-F128 PolarHBondContact O-N 2.87Å
127	D	21.6	Very low	25.1	Very low	149 Å²	149	152.7 Å²	152.7	80%	0.797	76%	0.758	S	S	*	*			trans	-78.1	109.7	172.7	-85.7	-28.5	0	0	0	111.1	E125 G129	E125-D127 PolarHBondContact O-N 2.64Å; E125-D127 VanDerWaalsContact O-N 3.13Å; D127-G129 PolarHBondContact O-N 2.73Å
128	F	21.2	Very low	24.6	Very low	212 Å²	212	153.5 Å²	153.5	93%	0.93	77%	0.769	S	S	*	*			trans	-57.9	96.1	165.5	-91.9	-100.9	0	0	0	110	P126	P126-F128 PolarHBondContact O-N 2.87Å
129	G	21.7	Very low	24.1	Very low	69 Å²	69	152.5 Å²	152.5	71%	0.711	78%	0.776	S	S	*	*			trans	-119.2	115.8	176.5	0	0	0	0	0	111.9	D127 L131	D127-G129 PolarHBondContact O-N 2.73Å; G129-L131 PolarHBondContact O-N 2.67Å
130	F	21.8	Very low	23.8	Very low	200 Å²	200	154.3 Å²	154.3	88%	0.877	80%	0.796	S	S	*	*			trans	-48.8	128.1	-178.2	-77.8	-104.8	0	0	0	113.8	N132	F130-N132 PolarHBondContact O-N 2.82Å
131	L	22.9	Very low	23.4	Very low	181 Å²	181	154.1 Å²	154.1	95%	0.948	80%	0.803	S	S	*	*			trans	-62.8	101.9	165.5	-84.3	160.8	0	0	0	109.1	G129 S133	G129-L131 PolarHBondContact O-N 2.67Å; L131-S133 PolarHBondContact O-N 2.87Å
132	N	21.7	Very low	23.1	Very low	153 Å²	153	152.5 Å²	152.5	82%	0.818	81%	0.808	S	S	*	*			trans	-64	113.8	165.2	-100.8	-20.8	0	0	0	108.8	F130 Q134	F130-N132 PolarHBondContact O-N 2.82Å; N132-Q134 PolarHBondContact O-N 2.97Å
133	S	23.8	Very low	23	Very low	110 Å²	110	157.9 Å²	157.9	77%	0.769	82%	0.821	S	S	*	*	S	Bend	trans	-55.6	103.2	158.8	50.6	0	0	0	0	108.6	L131	L131-S133 PolarHBondContact O-N 2.87Å
134	Q	22.2	Very low	22.8	Very low	186 Å²	186	157 Å²	157	87%	0.869	82%	0.821	S	S	*	*			trans	170.2	79.1	153	-79.5	-115.9	3.3	0	0	108.2	N132	N132-Q134 PolarHBondContact O-N 2.97Å
135	Q	24.7	Very low	22.6	Very low	198 Å²	198	157.9 Å²	157.9	93%	0.925	83%	0.825	S	S	*	*			trans	-152.5	108.6	152.6	-118.7	174.2	7.5	0	0	108.5
136	E	23.5	Very low	22.7	Very low	189 Å²	189	156.9 Å²	156.9	88%	0.883	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-61.6	145.3	179	-67.3	177.4	139.8	0	0	111.2	P138	E136-P138 WeakPolarHBondContact O-CD 3.49Å
137	K	22	Very low	22.4	Very low	206 Å²	206	160.7 Å²	160.7	90%	0.896	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-50.9	119.2	175.4	-71.9	173.3	173.1	178.1	0	111
138	P	25.4	Very low	22.4	Very low	125 Å²	125	162.2 Å²	162.2	81%	0.812	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-77.8	129.2	168.3	29.9	-28.3	0	0	0	109.5	E136	E136-P138 WeakPolarHBondContact O-CD 3.49Å
139	S	22.6	Very low	22.5	Very low	104 Å²	104	157.8 Å²	157.8	73%	0.727	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-60.9	138.4	179.7	45.7	0	0	0	0	113.1	S141	S139-S141 PolarHBondContact O-N 3.47Å
140	L	23.6	Very low	22.6	Very low	184 Å²	184	160 Å²	160	96%	0.963	84%	0.837	S	S	*	*	S	Bend	trans	-61.1	93.7	165.4	-87.3	97.3	0	0	0	110.4
141	S	22.4	Very low	22.9	Very low	94 Å²	94	158.4 Å²	158.4	66%	0.657	84%	0.836	S	S	*	*			trans	-179.7	82.1	155.5	47.5	0	0	0	0	110.9	S139	S139-S141 PolarHBondContact O-N 3.47Å
142	T	23.1	Very low	23	Very low	133 Å²	133	156.6 Å²	156.6	82%	0.816	83%	0.827	S	S	*	*			trans	-137.1	92.3	153.8	-56	0	0	0	0	107.2	I144	T142-I144 PolarHBondContact O-N 2.79Å
143	Y	22.6	Very low	23.1	Very low	230 Å²	230	154.1 Å²	154.1	90%	0.902	82%	0.822	S	S	*	*			trans	-54.6	116.4	165.4	-97	-100.8	0	0	0	108.1	Q145	Y143-Q145 PolarHBondContact O-N 2.82Å
144	I	22.5	Very low	23.1	Very low	149 Å²	149	159.5 Å²	159.5	76%	0.764	83%	0.826	S	S	*	*			trans	-75.6	107	171.7	-64.3	172.5	0	0	0	106.4	T142 V146	T142-I144 PolarHBondContact O-N 2.79Å; I144-V146 HydrophobicContact CG2-CG2 4.43Å; I144-V146 PolarHBondContact O-N 3.34Å; I144-V146 VanDerWaalsContact O-N 3.17Å
145	Q	19.3	Very low	23.4	Very low	189 Å²	189	159.3 Å²	159.3	88%	0.883	83%	0.829	S	S	*	*			trans	-75.1	100.3	175.1	-160.1	175.1	-2.8	0	0	108.1	Y143 Q147	Y143-Q145 PolarHBondContact O-N 2.82Å; Q145-Q147 PolarHBondContact O-N 2.89Å
146	V	22.9	Very low	23.3	Very low	126 Å²	126	157.2 Å²	157.2	76%	0.764	82%	0.824	S	S	*	*			trans	-74.4	115.8	174.4	179.1	0	0	0	0	107.9	I144 E148	I144-V146 HydrophobicContact CG2-CG2 4.43Å; I144-V146 PolarHBondContact O-N 3.34Å; I144-V146 VanDerWaalsContact O-N 3.17Å; V146-E148 PolarHBondContact O-N 3.18Å
147	Q	18.5	Very low	23.3	Very low	188 Å²	188	154.8 Å²	154.8	88%	0.879	82%	0.817	S	S	*	*			trans	-81.6	111.4	-179.5	-157.4	161.9	4.2	0	0	108.8	Q145	Q145-Q147 PolarHBondContact O-N 2.89Å
148	E	21.3	Very low	23.6	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-60.1	130.6	176.1	-94.2	-178.2	144.3	0	0	111.2	V146 S150	V146-E148 PolarHBondContact O-N 3.18Å; E148-S150 PolarHBondContact O-N 3.36Å
149	P	25	Very low	23.6	Very low	118 Å²	118	153.3 Å²	153.3	77%	0.766	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.1	123.5	178.3	27.6	-29.6	0	0	0	111	I151	P149-I151 PolarHBondContact O-N 3.33Å
150	S	23.8	Very low	23.6	Very low	117 Å²	117	153.6 Å²	153.6	82%	0.818	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-58.4	122.5	173.4	51.9	0	0	0	0	111.6	E148 D152	E148-S150 PolarHBondContact O-N 3.36Å; S150-D152 PolarHBondContact O-N 2.92Å; S150-D152 VanDerWaalsContact O-N 3.13Å
151	I	26.3	Very low	23.6	Very low	165 Å²	165	151.8 Å²	151.8	85%	0.846	80%	0.8	S	S	*	*			trans	-66.1	103.8	177.1	-61.3	164.8	0	0	0	108.8	P149	P149-I151 PolarHBondContact O-N 3.33Å
152	D	25.1	Very low	23.7	Very low	143 Å²	143	152.3 Å²	152.3	77%	0.765	80%	0.804	S	S	*	*			trans	-83.1	130.7	170.1	-154.1	-4.9	0	0	0	110.4	S150 R154	S150-D152 PolarHBondContact O-N 2.92Å; S150-D152 VanDerWaalsContact O-N 3.13Å; D152-R154 PolarHBondContact O-N 3.43Å
153	S	24.3	Very low	24	Very low	102 Å²	102	152.4 Å²	152.4	71%	0.713	80%	0.804	S	S	*	*			trans	-101.5	61.1	-157	50.7	0	0	0	0	110.9
154	R	23.2	Very low	24	Very low	223 Å²	223	151 Å²	151	84%	0.842	81%	0.806	S	S	*	*			trans	-147.2	97.5	174.6	-70.2	-171.9	131.4	132.5	-2.7	111.2	D152	D152-R154 PolarHBondContact O-N 3.43Å
155	L	28.4	Very low	24.1	Very low	181 Å²	181	153.1 Å²	153.1	95%	0.948	81%	0.81	S	S	*	*			trans	-178.2	79.4	135.7	-93	168.1	0	0	0	108.5
156	N	22.8	Very low	24.3	Very low	154 Å²	154	154 Å²	154	82%	0.824	81%	0.81	S	S	*	*			trans	-94.3	152.7	159.7	-94.5	-31.7	0	0	0	108.7
157	L	25.2	Very low	24.6	Very low	139 Å²	139	156.1 Å²	156.1	73%	0.728	82%	0.816	S	S	*	*			trans	79.7	103.7	172.3	-88.5	84.4	0	0	0	118
158	L	27.4	Very low	25.1	Very low	182 Å²	182	151.8 Å²	151.8	95%	0.953	81%	0.807	S	S	*	*				-141.4	124.9	117.8	-103.2	145	0	0	0	108.8
159	D	25.7	Very low	25.6	Very low	118 Å²	118	153.5 Å²	153.5	63%	0.631	81%	0.812	S	S	*	*			trans	-73.3	150.2	-166.7	-98.3	-50.2	0	0	0	114.9
160	T	23.2	Very low	25.8	Very low	109 Å²	109	153.7 Å²	153.7	67%	0.669	81%	0.811	S	S	*	*			trans	-1.1	118.6	139.8	51	0	0	0	0	117.6
161	D	22.8	Very low	26	Very low	147 Å²	147	157.4 Å²	157.4	79%	0.786	82%	0.815	S	S	*	*				157.7	146.6	103	-98.3	-24.9	0	0	0	113.7
162	S	25.4	Very low	25.9	Very low	105 Å²	105	159.3 Å²	159.3	73%	0.734	82%	0.818	S	S	*	*			trans	73.4	94.5	164.8	78.5	0	0	0	0	118.1
163	T	28	Very low	25.9	Very low	135 Å²	135	157.1 Å²	157.1	83%	0.828	82%	0.82	S	S	*	*				179.6	97.6	115.5	33.2	0	0	0	0	109.4	K165	T163-K165 PolarHBondContact O-N 2.99Å
164	Q	22.9	Very low	26	Very low	201 Å²	201	160.9 Å²	160.9	94%	0.939	83%	0.826	S	S	*	*			trans	-56.1	101	158.3	-75.9	-177.4	-11.2	0	0	109.5
165	K	25.8	Very low	26	Very low	193 Å²	193	156.7 Å²	156.7	84%	0.839	83%	0.825	S	S	*	*			trans	-107.2	96.7	153.3	-97.4	-179.3	178.4	172.9	0	108.7	T163 L167	T163-K165 PolarHBondContact O-N 2.99Å; K165-L167 PolarHBondContact O-N 3.38Å
166	K	23.3	Very low	25.7	Very low	207 Å²	207	157.2 Å²	157.2	90%	0.9	82%	0.823	S	S	*	*			trans	-39.2	102.4	161.2	-96.3	170.2	168.5	169	0	110
167	L	28	Very low	25.9	Very low	170 Å²	170	156.8 Å²	156.8	89%	0.89	83%	0.826	S	S	*	*			trans	-84	120.3	158.9	-74.4	168.1	0	0	0	107.8	K165	K165-L167 PolarHBondContact O-N 3.38Å
168	S	28.4	Very low	25.7	Very low	98 Å²	98	157.4 Å²	157.4	69%	0.685	83%	0.829	S	S	*	*			trans	-59.9	139.1	-176.3	53.9	0	0	0	0	112.4	T170	S168-T170 PolarHBondContact O-N 3.3Å
169	K	32.1	Very low	25.6	Very low	217 Å²	217	158 Å²	158	94%	0.943	82%	0.824	S	S	*	*	S	Bend	trans	-55.7	39.4	-176.8	-91.4	178.7	172.3	177.1	0	118
170	T	30.1	Very low	25.3	Very low	122 Å²	122	162 Å²	162	75%	0.748	83%	0.83	S	S	*	*			trans	-120.7	13.5	-177.2	22.7	0	0	0	0	116.8	S168	S168-T170 PolarHBondContact O-N 3.3Å
171	Q	28.1	Very low	25.5	Very low	194 Å²	194	164.4 Å²	164.4	91%	0.907	84%	0.839	S	S	*	*	S	Bend	trans	-123.8	11.5	175.3	-86	-176.6	-36	0	0	116.8
172	F	23.9	Very low	25.4	Very low	206 Å²	206	164.6 Å²	164.6	90%	0.904	84%	0.84	S	S	*	*			trans	-112.3	81.8	171.2	-120.6	-91.1	0	0	0	110.5
173	A	24.5	Very low	25.2	Very low	97 Å²	97	163.1 Å²	163.1	80%	0.802	84%	0.842	S	S	*	*			trans	-151.7	53.9	170.3	0	0	0	0	0	111.6
174	Q	26.6	Very low	24.9	Very low	180 Å²	180	162 Å²	162	84%	0.841	84%	0.839	S	S	*	*	S	Bend	trans	-155.9	125.8	153.9	-106	167.3	1.8	0	0	105.3
175	T	23.9	Very low	24.9	Very low	136 Å²	136	159.6 Å²	159.6	83%	0.834	83%	0.832	S	S	*	*			trans	103.4	65.8	-176.9	-28.9	0	0	0	0	114.9
176	Q	22.4	Very low	24.5	Very low	191 Å²	191	161.6 Å²	161.6	89%	0.893	83%	0.834	S	S	*	*			trans	-138.6	98	152.4	-91.5	-171.9	2.2	0	0	108.5
177	T	25.4	Very low	24.5	Very low	146 Å²	146	162.3 Å²	162.3	90%	0.896	83%	0.833	S	S	*	*			trans	-141.3	90.6	150.3	20.9	0	0	0	0	105.6
178	I	22.2	Very low	24.3	Very low	152 Å²	152	159.2 Å²	159.2	78%	0.779	82%	0.823	S	S	*	*			trans	-118.1	115.3	161.4	-65.9	173.5	0	0	0	104.7
179	F	24.5	Very low	23.9	Very low	194 Å²	194	161.8 Å²	161.8	85%	0.851	83%	0.829	S	S	*	*			trans	-170	108.1	149.3	-92.3	-75.2	0	0	0	104.5
180	R	20.8	Very low	23.4	Very low	202 Å²	202	160.2 Å²	160.2	76%	0.762	83%	0.825	S	S	*	*				62.4	106.3	84.2	-88.2	-171.5	165.6	146.3	-1.1	113.6
181	D	26	Very low	22.9	Very low	159 Å²	159	160.6 Å²	160.6	85%	0.85	83%	0.831	S	S	*	*				-159.7	101	128.7	-85.8	-26.2	0	0	0	105.4
182	N	21.4	Very low	22.6	Very low	151 Å²	151	155 Å²	155	81%	0.807	83%	0.826	S	S	*	*				50.9	106.5	85.9	-85.4	6.1	0	0	0	115.3
183	G	21.6	Very low	22.3	Very low	75 Å²	75	154.9 Å²	154.9	77%	0.773	83%	0.825	S	S	*	*				113.6	108.2	123.5	0	0	0	0	0	118.4
184	S	20.8	Very low	22.1	Very low	111 Å²	111	161.4 Å²	161.4	78%	0.776	83%	0.829	S	S	*	*				104.7	136.6	122.3	-144.7	0	0	0	0	119.4
185	L	23.3	Very low	21.7	Very low	150 Å²	150	158.1 Å²	158.1	79%	0.785	83%	0.826	S	S	*	*			trans	78.8	100.7	164.9	-59.8	152.6	0	0	0	114.6
186	R	17.5	Very low	21.6	Very low	235 Å²	235	157.1 Å²	157.1	89%	0.887	82%	0.821	S	S	*	*				39.9	103.3	54.5	-79.7	-155.4	-174.8	-163.6	3.3	113.6
187	Y	23.4	Very low	21.5	Very low	223 Å²	223	156.3 Å²	156.3	88%	0.875	82%	0.82	S	S	*	*				-164.6	154.9	112.1	-101.8	-86.2	0	0	0	109.3
188	P	23.7	Very low	21.1	Very low	104 Å²	104	153.8 Å²	153.8	68%	0.675	81%	0.808	S	S	*	*			trans	-105.8	166.5	-148	40.2	-34.3	0	0	0	115.4
189	N	19.2	Very low	21	Very low	152 Å²	152	153 Å²	153	81%	0.813	81%	0.81	S	S	*	*			trans	-17.5	134.7	151.4	-61.2	-21.1	0	0	0	116
190	E	21.2	Very low	20.8	Very low	185 Å²	185	149 Å²	149	86%	0.864	81%	0.806	S	S	*	*			trans	-165.4	117.3	132.7	-108.8	171.5	-157.9	0	0	111.7
191	C	20.3	Very low	20.6	Very low	130 Å²	130	148.2 Å²	148.2	88%	0.878	81%	0.814	S	S	*	*			trans	43	128.4	130.5	-61.5	0	0	0	0	121.2
192	G	21.1	Very low	20.4	Very low	77 Å²	77	147 Å²	147	79%	0.794	82%	0.816	S	S	*	*			trans	-175.3	78.6	162.9	0	0	0	0	0	115.3
193	F	19.5	Very low	20.2	Very low	203 Å²	203	142.5 Å²	142.5	89%	0.89	81%	0.805	S	S	*	*			trans	-42.2	138.7	161.1	-85.8	-103.5	0	0	0	113.7
194	R	19.1	Very low	20.3	Very low	234 Å²	234	145.3 Å²	145.3	88%	0.883	81%	0.811	S	S	*	*				173.1	130.2	117.1	-98	179.4	-177.8	-102.3	2.1	112.6
195	S	19.3	Very low	20.3	Very low	110 Å²	110	145.2 Å²	145.2	77%	0.769	81%	0.811	S	S	*	*			trans	-78.5	149.1	154	51.3	0	0	0	0	110.6
196	P	21.3	Very low	20.4	Very low	115 Å²	115	146.2 Å²	146.2	75%	0.747	82%	0.817	S	S	*	*			trans	-139.9	136.1	138.6	33.2	-16.8	0	0	0	114.1
197	M	19.8	Very low	20.7	Very low	175 Å²	175	139.2 Å²	139.2	86%	0.862	81%	0.81	S	S	*	*			trans	61.9	100.9	136.3	-80.8	175.9	-180	0	0	121.9
198	S	17.8	Very low	20.6	Very low	93 Å²	93	133 Å²	133	65%	0.65	81%	0.805	S	S	*	*				59.9	135.8	97.2	78.9	0	0	0	0	122.8
199	V	19.5	Very low	20.7	Very low	134 Å²	134	133.7 Å²	133.7	81%	0.812	81%	0.809	S	S	*	*			trans	86.6	108.8	147.9	-164.2	0	0	0	0	117.8
200	S	19.6	Very low	20.8	Very low	111 Å²	111	132 Å²	132	78%	0.776	81%	0.809	S	S	*	*				-175.3	124.4	95.6	63.1	0	0	0	0	112.2
201	M	17.3	Very low	21	Very low	186 Å²	186	126.9 Å²	126.9	92%	0.916	81%	0.806	S	S	*	*			trans	-71.2	140.1	163.8	-72.3	-107.9	-65.4	0	0	110.5
202	C	21	Very low	21.1	Very low	132 Å²	132	127 Å²	127	89%	0.892	80%	0.803	S	S	*	*			trans	-141.4	112.2	147.2	-169	0	0	0	0	107.9
203	G	18.1	Very low	21.3	Very low	57 Å²	57	129 Å²	129	59%	0.588	80%	0.801	S	S	*	*			trans	-83.8	153.4	176	0	0	0	0	0	111.7
204	C	23.5	Very low	21.4	Very low	134 Å²	134	125.7 Å²	125.7	91%	0.905	80%	0.798	S	S	*	*			trans	-144.9	82.9	151.9	-85.3	0	0	0	0	106.8
205	S	20.6	Very low	21.3	Very low	110 Å²	110	120.6 Å²	120.6	77%	0.769	79%	0.793	S	S	*	*			trans	-75.3	119.4	159.6	48.4	0	0	0	0	108.6
206	N	26.5	Very low	21.4	Very low	170 Å²	170	126 Å²	126	91%	0.909	80%	0.798	S	S	*	*			trans	-132.9	105.5	151.4	-92.1	-22.1	0	0	0	107.7
207	A	22.4	Very low	21.2	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	80%	0.802	S	S	*	*			trans	-77.7	148.9	171.3	0	0	0	0	0	110.4
208	A	21.6	Very low	21	Very low	93 Å²	93	129.6 Å²	129.6	77%	0.769	80%	0.8	S	S	*	*			trans	60.2	143.1	138.3	0	0	0	0	0	118.2
209	P	25.5	Very low	21.1	Very low	118 Å²	118	131.7 Å²	131.7	77%	0.766	81%	0.809	S	S	*	*				-141.4	145.5	52.6	30	-6.8	0	0	0	117.6
210	S	22.6	Very low	21	Very low	115 Å²	115	132.9 Å²	132.9	80%	0.804	81%	0.805	S	S	*	*			trans	-0.8	121.5	138.3	54.4	0	0	0	0	118.4
211	G	25.4	Very low	21.1	Very low	78 Å²	78	133.7 Å²	133.7	80%	0.804	81%	0.807	S	S	*	*			trans	-128.4	122.6	153.2	0	0	0	0	0	109
212	T	22.5	Very low	21.1	Very low	133 Å²	133	131.1 Å²	131.1	82%	0.816	80%	0.796	S	S	*	*			trans	-75.3	163.6	-172	31.7	0	0	0	0	114.1
213	P	24	Very low	20.9	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	79%	0.793	S	S	*	*			trans	-92	137.6	-163.1	35.1	-31.4	0	0	0	113.3
214	T	22.7	Very low	21.2	Very low	134 Å²	134	136.4 Å²	136.4	82%	0.822	80%	0.799	S	S	*	*			trans	-98.9	109.3	170.4	38.8	0	0	0	0	110.7
215	V	17.1	Very low	21	Very low	128 Å²	128	138.1 Å²	138.1	78%	0.776	79%	0.794	S	S	*	*			trans	-79.9	120.2	161.9	171.8	0	0	0	0	107.5
216	Y	19.8	Very low	20.9	Very low	224 Å²	224	139.7 Å²	139.7	88%	0.878	80%	0.798	S	S	*	*			trans	-128.7	133.3	157.4	-97.9	-83.1	0	0	0	111.1
217	K	18	Very low	20.7	Very low	191 Å²	191	135.4 Å²	135.4	83%	0.83	79%	0.786	S	S	*	*			trans	-70.8	157.7	-171.1	-75.4	171.3	169.4	175.8	0	113.4
218	H	16.4	Very low	20.7	Very low	174 Å²	174	139.1 Å²	139.1	81%	0.806	79%	0.794	S	S	*	*			trans	-33.1	138.3	155.2	-74.9	-61	0	0	0	115.6
219	T	19	Very low	20.5	Very low	137 Å²	137	139.8 Å²	139.8	84%	0.84	79%	0.792	S	S	*	*			trans	-157.2	122.9	132.2	20.3	0	0	0	0	110.6
220	H	17	Very low	20.3	Very low	158 Å²	158	141 Å²	141	73%	0.731	79%	0.792	S	S	*	*			trans	-68.7	149.8	156.5	-77.4	-93.9	0	0	0	109.7
221	P	21.2	Very low	20.3	Very low	128 Å²	128	146.1 Å²	146.1	83%	0.831	80%	0.8	S	S	*	*			trans	-121.1	138.6	133.1	31.2	-20.5	0	0	0	111.2
222	I	17.5	Very low	20.1	Very low	133 Å²	133	149.4 Å²	149.4	68%	0.682	80%	0.797	S	S	*	*			trans	-102.4	147.8	176.1	-74.5	164.7	0	0	0	106.8
223	M	18	Very low	20	Very low	167 Å²	167	151.9 Å²	151.9	82%	0.823	80%	0.8	S	S	*	*			trans	77.7	134.6	173.8	-46.7	-135.6	175	0	0	114.8
224	N	22.8	Very low	20	Very low	132 Å²	132	156.9 Å²	156.9	71%	0.706	80%	0.803	S	S	*	*			cis	-162.2	161.7	41	-128.8	-3	0	0	0	112.3
225	E	20.1	Very low	20.3	Very low	171 Å²	171	158.8 Å²	158.8	80%	0.799	80%	0.803	S	S	*	*			trans	81.4	102.3	151	-74.2	173.7	165.5	0	0	121.8
226	V	18.7	Very low	20.8	Very low	142 Å²	142	158.1 Å²	158.1	86%	0.861	80%	0.795	S	S	*	*			trans	-52.6	145.6	139.9	173.3	0	0	0	0	110.7
227	A	21.8	Very low	21.4	Very low	81 Å²	81	153.7 Å²	153.7	67%	0.669	79%	0.786	S	S	*	*			trans	97	84.2	171	0	0	0	0	0	115.3
228	D	22	Very low	22.1	Very low	167 Å²	167	148.6 Å²	148.6	89%	0.893	77%	0.772	S	S	*	*				-150.7	118.7	115.2	-97.1	-28.8	0	0	0	111.3
229	C	18.5	Very low	23.1	Very low	107 Å²	107	144.3 Å²	144.3	72%	0.723	76%	0.758	S	S	*	*			trans	-73.6	157.5	160.5	-66.7	0	0	0	0	109
230	N	20.9	Very low	24	Very low	144 Å²	144	143.6 Å²	143.6	77%	0.77	75%	0.748	S	S	*	*			trans	96.7	85.2	169.7	-50.5	-31.5	0	0	0	115.7
231	F	22.5	Very low	24.9	Very low	222 Å²	222	143.1 Å²	143.1	97%	0.974	75%	0.746	S	S	*	*			trans	-110.8	112.2	145.4	-91.2	-82	0	0	0	110.1
232	I	21.7	Very low	25.7	Very low	146 Å²	146	142.1 Å²	142.1	75%	0.749	73%	0.733	S	S	*	*			trans	-53.1	140.8	173	-70.1	158.1	0	0	0	111	R234	I232-R234 PolarHBondContact O-N 2.89Å
233	E	21	Very low	26.6	Very low	185 Å²	185	140.2 Å²	140.2	86%	0.864	72%	0.724	S	S	*	*			trans	-41.3	115.8	166.4	-66.6	170.8	149.6	0	0	111.7
234	R	23.7	Very low	27.4	Very low	223 Å²	223	138 Å²	138	84%	0.842	71%	0.706	S	S	*	*			trans	-115	112.1	158.3	-79.8	-166.1	179.1	179.8	1.7	108.6	I232 D236	I232-R234 PolarHBondContact O-N 2.89Å; R234-D236 PolarHBondContact O-N 3.43Å; R234-D236 VanDerWaalsContact O-N 3.11Å
235	E	28.5	Very low	28.2	Very low	175 Å²	175	135 Å²	135	82%	0.818	70%	0.696	S	S	*	*			trans	-67	93	172.6	-64.8	-178.1	149.3	0	0	110.1	L237	E235-L237 VanDerWaalsContact C-N 3.27Å; E235-L237 PolarHBondContact O-N 3.06Å
236	D	28.1	Very low	29	Very low	114 Å²	114	132.1 Å²	132.1	61%	0.61	68%	0.683	S	S	*	*			trans	-81.1	77.9	175.1	-75.3	-29.4	0	0	0	111.1	R234 P238 V239	R234-D236 PolarHBondContact O-N 3.43Å; R234-D236 VanDerWaalsContact O-N 3.11Å; D236-P238 WeakPolarHBondContact O-CD 3.45Å; D236-P238 VanDerWaalsContact O-N 3.12Å; D236-V239 HydrophobicContact CB-CG2 4.32Å; D236-V239 PolarHBondContact O-N 3.01Å
237	L	31.8	Very low	30	Very low	131 Å²	131	129 Å²	129	69%	0.686	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.1	-30.1	166.6	-137.3	76.6	0	0	0	115.9	E235 V239	E235-L237 VanDerWaalsContact C-N 3.27Å; E235-L237 PolarHBondContact O-N 3.06Å; L237-V239 VanDerWaalsContact C-N 3.32Å; L237-V239 PolarHBondContact O-N 2.91Å
238	P	33.2	Very low	30.8	Very low	84 Å²	84	129.6 Å²	129.6	55%	0.545	66%	0.659	S	S	.	*	H	α-helix	trans	-66.4	-27	179.7	-21.5	33.1	0	0	0	114.5	D236 Q241 L242	D236-P238 WeakPolarHBondContact O-CD 3.45Å; D236-P238 VanDerWaalsContact O-N 3.12Å; P238-Q241 PolarHBondContact O-N 2.73Å; P238-L242 WeakPolarHBondContact O-CB 3.38Å; P238-L242 PolarHBondContact O-N 2.8Å
239	V	37	Very low	31.3	Very low	84 Å²	84	126.5 Å²	126.5	51%	0.509	65%	0.65	S	S	.	*	H	α-helix	trans	-69.1	-39.7	-172.9	179.4	0	0	0	0	111.6	D236 L237 Q241 L242 L243	D236-V239 HydrophobicContact CB-CG2 4.32Å; D236-V239 PolarHBondContact O-N 3.01Å; L237-V239 VanDerWaalsContact C-N 3.32Å; L237-V239 PolarHBondContact O-N 2.91Å; V239-Q241 VanDerWaalsContact C-N 3.32Å; V239-Q241 PolarHBondContact O-N 3.29Å; V239-L242 PolarHBondContact O-N 3.49Å; V239-L243 HydrophobicContact CG1-CD1 4.07Å; V239-L243 WeakPolarHBondContact O-CG 3.21Å; V239-L243 PolarHBondContact O-N 3.25Å
240	I	37.1	Very low	31.9	Very low	121 Å²	121	125.5 Å²	125.5	62%	0.621	65%	0.645	S	S	*	*	H	α-helix	trans	-67.4	-36.7	178.4	-62.9	176.4	0	0	0	110.5	R244	I240-R244 WeakPolarHBondContact O-CB 3.35Å; I240-R244 PolarHBondContact O-N 2.81Å
241	Q	35.9	Very low	32.3	Very low	148 Å²	148	120.8 Å²	120.8	69%	0.692	63%	0.625	S	S	*	*	H	α-helix	trans	-70.1	-37.2	178.6	-143.7	170.4	2	0	0	111.6	P238 V239 R244 S245	P238-Q241 PolarHBondContact O-N 2.73Å; V239-Q241 VanDerWaalsContact C-N 3.32Å; V239-Q241 PolarHBondContact O-N 3.29Å; Q241-R244 PolarHBondContact O-N 3.28Å; Q241-S245 PolarHBondContact O-N 3.03Å
242	L	38	Very low	32.6	Very low	108 Å²	108	115.4 Å²	115.4	57%	0.565	61%	0.613	S	S	*	*	H	α-helix	trans	-67.7	-41.7	174.9	-156.7	114.3	0	0	0	112.1	P238 V239 S245 Q246	P238-L242 WeakPolarHBondContact O-CB 3.38Å; P238-L242 PolarHBondContact O-N 2.8Å; V239-L242 PolarHBondContact O-N 3.49Å; L242-S245 PolarHBondContact O-N 2.89Å; L242-S245 PolarHBondContact O-OG 3.36Å; L242-S245 VanDerWaalsContact O-OG 3.06Å; L242-Q246 WeakPolarHBondContact O-CB 3.33Å; L242-Q246 PolarHBondContact O-N 3.38Å
243	L	37	Very low	33.2	Very low	93 Å²	93	118 Å²	118	49%	0.487	62%	0.621	S	S	.	*	H	α-helix	trans	-65.3	-39.6	175	-76.1	167.3	0	0	0	111.6	V239 Q246 V247	V239-L243 HydrophobicContact CG1-CD1 4.07Å; V239-L243 WeakPolarHBondContact O-CG 3.21Å; V239-L243 PolarHBondContact O-N 3.25Å; L243-Q246 PolarHBondContact O-N 2.77Å; L243-V247 WeakPolarHBondContact O-CB 3.29Å; L243-V247 VanDerWaalsContact O-CG2 3.27Å; L243-V247 WeakPolarHBondContact O-CG2 3.18Å; L243-V247 PolarHBondContact O-N 3.46Å
244	R	34.4	Very low	33.9	Very low	119 Å²	119	112.2 Å²	112.2	45%	0.449	60%	0.599	S	S	.	*	H	α-helix	trans	-66.4	-41.2	177.9	-158.9	178.4	-176.9	174.2	4.8	112	I240 Q241 V248 W271	I240-R244 WeakPolarHBondContact O-CB 3.35Å; I240-R244 PolarHBondContact O-N 2.81Å; Q241-R244 PolarHBondContact O-N 3.28Å; R244-V248 VanDerWaalsContact O-CG2 3.32Å; R244-V248 WeakPolarHBondContact O-CG2 3.35Å; R244-V248 PolarHBondContact O-N 3.31Å; R244-V248 VanDerWaalsContact O-N 3.14Å; R244-W271 PolarHBondContact NH1-O 3.47Å; R244-W271 PolarHBondContact NH2-O 3.13Å
245	S	40.1	Very low	34.5	Very low	71 Å²	71	105.6 Å²	105.6	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-69.3	-36.5	175.9	74.8	0	0	0	0	112	Q241 L242 S249	Q241-S245 PolarHBondContact O-N 3.03Å; L242-S245 PolarHBondContact O-N 2.89Å; L242-S245 PolarHBondContact O-OG 3.36Å; L242-S245 VanDerWaalsContact O-OG 3.06Å; S245-S249 VanDerWaalsContact O-CB 3.24Å; S245-S249 WeakPolarHBondContact O-CB 3.24Å; S245-S249 PolarHBondContact O-N 3.16Å; S245-S249 PolarHBondContact O-OG 3.01Å
246	Q	36.6	Very low	35	Very low	110 Å²	110	104.6 Å²	104.6	51%	0.514	59%	0.587	S	S	.	*	H	α-helix	trans	-65.6	-44.3	174.5	-85.8	-174.1	-30.3	0	0	112.7	L242 L243 S249 S250	L242-Q246 WeakPolarHBondContact O-CB 3.33Å; L242-Q246 PolarHBondContact O-N 3.38Å; L243-Q246 PolarHBondContact O-N 2.77Å; Q246-S249 PolarHBondContact O-OG 2.87Å; Q246-S250 VanDerWaalsContact O-CB 3.24Å; Q246-S250 WeakPolarHBondContact O-CB 3.17Å; Q246-S250 PolarHBondContact O-N 2.97Å; Q246-S250 VanDerWaalsContact O-N 3.11Å; Q246-S250 PolarHBondContact O-OG 3.03Å
247	V	39.2	Very low	35.4	Very low	77 Å²	77	110.2 Å²	110.2	47%	0.467	60%	0.6	S	S	.	*	H	α-helix	trans	-69	-37.6	-179	173.3	0	0	0	0	111.7	L243 S250 V268	L243-V247 WeakPolarHBondContact O-CB 3.29Å; L243-V247 VanDerWaalsContact O-CG2 3.27Å; L243-V247 WeakPolarHBondContact O-CG2 3.18Å; L243-V247 PolarHBondContact O-N 3.46Å; V247-S250 PolarHBondContact O-OG 3.37Å; V247-V268 HydrophobicContact CG1-CG1 4.21Å
248	V	39.7	Very low	36.1	Very low	93 Å²	93	109.1 Å²	109.1	56%	0.564	59%	0.594	S	S	*	*	H	α-helix	trans	-76.2	-37.2	179	176.8	0	0	0	0	112.1	R244 S250	R244-V248 VanDerWaalsContact O-CG2 3.32Å; R244-V248 WeakPolarHBondContact O-CG2 3.35Å; R244-V248 PolarHBondContact O-N 3.31Å; R244-V248 VanDerWaalsContact O-N 3.14Å; V248-S250 VanDerWaalsContact C-N 3.34Å
249	S	33	Very low	36.6	Very low	101 Å²	101	110.7 Å²	110.7	71%	0.706	60%	0.598	S	S	*	*	H	α-helix	trans	-76.2	-20	178.7	59	0	0	0	0	114.1	S245 Q246	S245-S249 VanDerWaalsContact O-CB 3.24Å; S245-S249 WeakPolarHBondContact O-CB 3.24Å; S245-S249 PolarHBondContact O-N 3.16Å; S245-S249 PolarHBondContact O-OG 3.01Å; Q246-S249 PolarHBondContact O-OG 2.87Å
250	S	29.6	Very low	36.9	Very low	87 Å²	87	112.7 Å²	112.7	61%	0.608	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-1.8	179.4	60.7	0	0	0	0	114.5	Q246 V247 V248 P252	Q246-S250 VanDerWaalsContact O-CB 3.24Å; Q246-S250 WeakPolarHBondContact O-CB 3.17Å; Q246-S250 PolarHBondContact O-N 2.97Å; Q246-S250 VanDerWaalsContact O-N 3.11Å; Q246-S250 PolarHBondContact O-OG 3.03Å; V247-S250 PolarHBondContact O-OG 3.37Å; V248-S250 VanDerWaalsContact C-N 3.34Å; S250-P252 WeakPolarHBondContact O-CD 3.4Å
251	A	29.5	Very low	37.3	Very low	44 Å²	44	108.6 Å²	108.6	36%	0.364	59%	0.59	S	S	.	*			trans	-80.3	106.5	177.2	0	0	0	0	0	110.1	L265	A251-L265 HydrophobicContact CB-CD1 4.4Å
252	P	29.5	Very low	37.9	Very low	109 Å²	109	106.8 Å²	106.8	71%	0.708	58%	0.58	S	S	*	*			trans	-63	146.6	178.1	27.4	-33.6	0	0	0	109.9	S250 V254	S250-P252 WeakPolarHBondContact O-CD 3.4Å; P252-V254 WeakPolarHBondContact O-CG2 3.42Å; P252-V254 PolarHBondContact O-N 2.89Å
253	E	34.7	Very low	38.5	Very low	200 Å²	200	108.3 Å²	108.3	94%	0.935	58%	0.584	S	S	*	*			trans	-40.4	97.7	177.3	-65.8	179.1	168.3	0	0	111.2	S255	E253-S255 PolarHBondContact O-N 3.46Å
254	V	36.4	Very low	38.8	Very low	64 Å²	64	109.5 Å²	109.5	39%	0.388	59%	0.59	S	S	.	*			trans	-71.5	105	-175.6	-178	0	0	0	0	106.8	P252 N256 A261 L265	P252-V254 WeakPolarHBondContact O-CG2 3.42Å; P252-V254 PolarHBondContact O-N 2.89Å; V254-N256 PolarHBondContact O-N 2.84Å; V254-A261 HydrophobicContact CG1-CB 3.74Å; V254-L265 HydrophobicContact CG2-CD2 4.29Å
255	S	35.9	Very low	39.6	Very low	84 Å²	84	106.3 Å²	106.3	59%	0.587	58%	0.582	S	S	*	*			trans	-52.7	136.4	178.9	71.7	0	0	0	0	110.8	E253 R257	E253-S255 PolarHBondContact O-N 3.46Å; S255-R257 PolarHBondContact O-N 2.85Å
256	N	38.8	Very low	40.2	Very low	154 Å²	154	106.4 Å²	106.4	82%	0.824	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	10.4	-175.3	-99.7	-18.8	0	0	0	116.2	V254	V254-N256 PolarHBondContact O-N 2.84Å
257	R	36.9	Very low	40.7	Very low	232 Å²	232	108.1 Å²	108.1	88%	0.875	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-5.8	-174.6	-69.6	-171.9	177.1	-174.8	-0.1	115.2	S255	S255-R257 PolarHBondContact O-N 2.85Å
258	N	46.1	Very low	40.9	Very low	108 Å²	108	106.6 Å²	106.6	58%	0.578	57%	0.57	S	S	*	*			trans	-119.6	102.4	179.1	-108.7	-7.6	0	0	0	111.8	D260 A261 K262	N258-D260 VanDerWaalsContact C-N 3.31Å; N258-D260 PolarHBondContact O-N 2.9Å; N258-A261 HydrophobicContact CB-CB 4.17Å; N258-A261 PolarHBondContact O-N 2.61Å; N258-K262 PolarHBondContact O-N 3.18Å
259	N	42.8	Very low	41.1	Very low	118 Å²	118	108.2 Å²	108.2	63%	0.631	57%	0.57	S	S	*	*	H	α-helix	trans	-64.3	-32.4	-178.9	-72.4	-25.8	0	0	0	113	K262 H263	N259-K262 WeakPolarHBondContact O-CB 3.43Å; N259-K262 PolarHBondContact O-N 3.06Å; N259-H263 PolarHBondContact O-N 3.31Å
260	D	43.3	Very low	41.6	Very low	126 Å²	126	106.9 Å²	106.9	67%	0.674	56%	0.561	S	S	*	*	H	α-helix	trans	-69.3	-39	-179.6	-58.8	-25	0	0	0	112.3	N258 K262 H263 L264	N258-D260 VanDerWaalsContact C-N 3.31Å; N258-D260 PolarHBondContact O-N 2.9Å; D260-K262 VanDerWaalsContact C-N 3.3Å; D260-K262 PolarHBondContact O-N 3.46Å; D260-H263 PolarHBondContact O-N 3.26Å; D260-L264 PolarHBondContact O-N 2.83Å; D260-L264 VanDerWaalsContact O-N 3.1Å
261	A	45.8	Very low	41.6	Very low	35 Å²	35	109.9 Å²	109.9	29%	0.289	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-33.1	175.9	0	0	0	0	0	111.7	V254 N258 L265	V254-A261 HydrophobicContact CG1-CB 3.74Å; N258-A261 HydrophobicContact CB-CB 4.17Å; N258-A261 PolarHBondContact O-N 2.61Å; A261-L265 WeakPolarHBondContact O-CB 3.29Å; A261-L265 PolarHBondContact O-N 3.31Å; A261-L265 VanDerWaalsContact O-N 3.08Å
262	K	49.6	Very low	42.1	Very low	110 Å²	110	111.7 Å²	111.7	48%	0.478	57%	0.569	S	S	.	*	H	α-helix	trans	-67.3	-44.1	173.5	-170.1	179.4	177.2	-177.3	0	111.5	N258 N259 D260 L264 L265 D266	N258-K262 PolarHBondContact O-N 3.18Å; N259-K262 WeakPolarHBondContact O-CB 3.43Å; N259-K262 PolarHBondContact O-N 3.06Å; D260-K262 VanDerWaalsContact C-N 3.3Å; D260-K262 PolarHBondContact O-N 3.46Å; K262-L264 PolarHBondContact O-N 3.17Å; K262-L265 PolarHBondContact O-N 3.44Å; K262-D266 WeakPolarHBondContact O-CB 3.19Å; K262-D266 PolarHBondContact O-N 2.91Å
263	H	49.7	Very low	42.4	Very low	140 Å²	140	112.5 Å²	112.5	65%	0.648	57%	0.567	S	S	*	*	H	α-helix	trans	-60.8	-41.5	176.3	-98.1	-77.8	0	0	0	113	N259 D260 D266 Y267	N259-H263 PolarHBondContact O-N 3.31Å; D260-H263 PolarHBondContact O-N 3.26Å; H263-D266 PolarHBondContact O-N 3.26Å; H263-Y267 VanDerWaalsContact O-CB 3.27Å; H263-Y267 WeakPolarHBondContact O-CB 3.15Å; H263-Y267 PolarHBondContact O-N 2.94Å
264	L	44	Very low	42.2	Very low	117 Å²	117	105.2 Å²	105.2	61%	0.613	55%	0.545	S	S	*	.	H	α-helix	trans	-65.4	-40.9	174.6	-79.5	168.1	0	0	0	112.1	D260 K262 Y267 V268	D260-L264 PolarHBondContact O-N 2.83Å; D260-L264 VanDerWaalsContact O-N 3.1Å; K262-L264 PolarHBondContact O-N 3.17Å; L264-Y267 PolarHBondContact O-N 3.44Å; L264-V268 VanDerWaalsContact O-CG2 3.31Å; L264-V268 WeakPolarHBondContact O-CG2 3.48Å; L264-V268 PolarHBondContact O-N 3Å
265	L	50.9	Low	42	Very low	53 Å²	53	105.7 Å²	105.7	28%	0.277	56%	0.556	S	S	.	*	H	α-helix	trans	-67.3	-40	177.3	-169.4	66.3	0	0	0	111.9	A251 V254 A261 K262 V268 K269	A251-L265 HydrophobicContact CB-CD1 4.4Å; V254-L265 HydrophobicContact CG2-CD2 4.29Å; A261-L265 WeakPolarHBondContact O-CB 3.29Å; A261-L265 PolarHBondContact O-N 3.31Å; A261-L265 VanDerWaalsContact O-N 3.08Å; K262-L265 PolarHBondContact O-N 3.44Å; L265-V268 PolarHBondContact O-N 3.2Å; L265-K269 WeakPolarHBondContact O-CB 3.14Å; L265-K269 VanDerWaalsContact O-CG 3.28Å; L265-K269 WeakPolarHBondContact O-CG 3.35Å; L265-K269 PolarHBondContact O-N 3.29Å
266	D	52.3	Low	41.5	Very low	73 Å²	73	105.5 Å²	105.5	39%	0.39	56%	0.559	S	S	.	*	H	α-helix	trans	-68.1	-36.7	175.6	-71.6	-20.4	0	0	0	111.3	K262 H263 K269 S270	K262-D266 WeakPolarHBondContact O-CB 3.19Å; K262-D266 PolarHBondContact O-N 2.91Å; H263-D266 PolarHBondContact O-N 3.26Å; D266-K269 PolarHBondContact O-N 3.1Å; D266-S270 WeakPolarHBondContact O-CB 3.44Å; D266-S270 PolarHBondContact O-N 2.87Å
267	Y	47.8	Very low	40.9	Very low	146 Å²	146	105.6 Å²	105.6	57%	0.573	55%	0.552	S	S	*	*	H	α-helix	trans	-61.9	-46	171.8	-179.3	-105.2	0	0	0	112.1	H263 L264 K269 S270 W271	H263-Y267 VanDerWaalsContact O-CB 3.27Å; H263-Y267 WeakPolarHBondContact O-CB 3.15Å; H263-Y267 PolarHBondContact O-N 2.94Å; L264-Y267 PolarHBondContact O-N 3.44Å; Y267-K269 VanDerWaalsContact C-N 3.33Å; Y267-K269 PolarHBondContact O-N 3.19Å; Y267-S270 WeakPolarHBondContact O-CB 3.36Å; Y267-S270 PolarHBondContact O-N 2.84Å; Y267-S270 VanDerWaalsContact O-N 3.16Å; Y267-S270 PolarHBondContact O-OG 3.33Å; Y267-W271 AromaticContact CE1-NE1 3.94Å
268	V	43.2	Very low	40.5	Very low	44 Å²	44	102.5 Å²	102.5	27%	0.267	55%	0.548	S	S	.	.	H	α-helix	trans	-66.2	-35.5	176	173.1	0	0	0	0	111.6	V247 L264 L265 S270	V247-V268 HydrophobicContact CG1-CG1 4.21Å; L264-V268 VanDerWaalsContact O-CG2 3.31Å; L264-V268 WeakPolarHBondContact O-CG2 3.48Å; L264-V268 PolarHBondContact O-N 3Å; L265-V268 PolarHBondContact O-N 3.2Å; V268-S270 VanDerWaalsContact C-N 3.32Å
269	K	43.3	Very low	39.7	Very low	127 Å²	127	105.8 Å²	105.8	55%	0.552	56%	0.559	S	S	*	*	H	α-helix	trans	-67.1	-30.9	172.5	-75.6	173.3	-179	173.9	0	112.8	L265 D266 Y267 W271	L265-K269 WeakPolarHBondContact O-CB 3.14Å; L265-K269 VanDerWaalsContact O-CG 3.28Å; L265-K269 WeakPolarHBondContact O-CG 3.35Å; L265-K269 PolarHBondContact O-N 3.29Å; D266-K269 PolarHBondContact O-N 3.1Å; Y267-K269 VanDerWaalsContact C-N 3.33Å; Y267-K269 PolarHBondContact O-N 3.19Å; K269-W271 PolarHBondContact O-N 3.29Å
270	S	42.7	Very low	38.8	Very low	74 Å²	74	104 Å²	104	52%	0.517	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.7	-9.6	-178	79.9	0	0	0	0	114.7	D266 Y267 V268 S272	D266-S270 WeakPolarHBondContact O-CB 3.44Å; D266-S270 PolarHBondContact O-N 2.87Å; Y267-S270 WeakPolarHBondContact O-CB 3.36Å; Y267-S270 PolarHBondContact O-N 2.84Å; Y267-S270 VanDerWaalsContact O-N 3.16Å; Y267-S270 PolarHBondContact O-OG 3.33Å; V268-S270 VanDerWaalsContact C-N 3.32Å; S270-S272 PolarHBondContact O-N 2.84Å
271	W	31.3	Very low	37.9	Very low	149 Å²	149	105.2 Å²	105.2	56%	0.564	57%	0.568	S	S	*	*			trans	-61.2	95	175.3	-70.6	4.9	0	0	0	110.7	R244 Y267 K269	R244-W271 PolarHBondContact NH1-O 3.47Å; R244-W271 PolarHBondContact NH2-O 3.13Å; Y267-W271 AromaticContact CE1-NE1 3.94Å; K269-W271 PolarHBondContact O-N 3.29Å
272	S	39.5	Very low	36.9	Very low	82 Å²	82	107 Å²	107	57%	0.573	59%	0.59	S	S	*	*			trans	-97.9	142.6	169.3	88.2	0	0	0	0	109.9	S270 G274 A275	S270-S272 PolarHBondContact O-N 2.84Å; S272-G274 PolarHBondContact O-N 3.11Å; S272-A275 PolarHBondContact O-N 3.29Å
273	L	35.3	Very low	35.8	Very low	127 Å²	127	107.8 Å²	107.8	67%	0.665	61%	0.606	S	S	*	*	H	α-helix	trans	-56.1	-16.6	-177.4	-160.2	74.8	0	0	0	113.4
274	G	31	Very low	34.4	Very low	46 Å²	46	111 Å²	111	47%	0.474	62%	0.619	S	S	.	*	H	α-helix	trans	-72.1	-35.2	-177.7	0	0	0	0	0	114.5	S272 A276 K277	S272-G274 PolarHBondContact O-N 3.11Å; G274-A276 VanDerWaalsContact C-N 3.35Å; G274-A276 PolarHBondContact O-N 2.93Å; G274-K277 PolarHBondContact O-N 3.25Å
275	A	31.1	Very low	33.4	Very low	75 Å²	75	111 Å²	111	62%	0.62	63%	0.626	S	S	*	*	H	α-helix	trans	-72.7	-28.6	-177	0	0	0	0	0	112.7	S272	S272-A275 PolarHBondContact O-N 3.29Å
276	A	27.2	Very low	32	Very low	80 Å²	80	113.5 Å²	113.5	66%	0.661	65%	0.648	S	S	*	*	H	α-helix	trans	-78	-17.9	179.7	0	0	0	0	0	113.6	G274	G274-A276 VanDerWaalsContact C-N 3.35Å; G274-A276 PolarHBondContact O-N 2.93Å
277	K	25.6	Very low	30.5	Very low	155 Å²	155	117.5 Å²	117.5	67%	0.674	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-12.2	-178.6	-80.2	-172.1	173.9	-172.4	0	114.9	G274 H279	G274-K277 PolarHBondContact O-N 3.25Å; K277-H279 VanDerWaalsContact C-N 3.32Å
278	Q	27.9	Very low	29.3	Very low	168 Å²	168	118.2 Å²	118.2	79%	0.785	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-0.8	-177.6	-72.1	-103	-32.8	0	0	113.5
279	H	29	Very low	28.3	Very low	176 Å²	176	119.4 Å²	119.4	82%	0.815	70%	0.702	S	S	*	*	S	Bend	trans	-125.5	55.8	179.1	-69.1	-65.8	0	0	0	111.3	K277	K277-H279 VanDerWaalsContact C-N 3.32Å
280	S	24.6	Very low	27.2	Very low	82 Å²	82	120.1 Å²	120.1	57%	0.573	72%	0.718	S	S	*	*	S	Bend	trans	-142	134.9	156.4	63.4	0	0	0	0	108.9
281	T	24.5	Very low	26.3	Very low	151 Å²	151	121 Å²	121	93%	0.926	73%	0.73	S	S	*	*	S	Bend	trans	88.3	108.2	178.8	78.5	0	0	0	0	117.3
282	G	25.1	Very low	25.8	Very low	72 Å²	72	120 Å²	120	74%	0.742	74%	0.74	S	S	*	*			trans	122.8	125	159.9	0	0	0	0	0	115.3
283	P	26.6	Very low	25	Very low	126 Å²	126	124.4 Å²	124.4	82%	0.818	76%	0.756	S	S	*	*			trans	-79.1	136.1	-179.8	33.2	-30.7	0	0	0	110.7
284	F	19.6	Very low	24.3	Very low	207 Å²	207	125.2 Å²	125.2	91%	0.908	76%	0.761	S	S	*	*			trans	11.6	120.6	169.8	-70	-85.9	0	0	0	118.6
285	P	22.3	Very low	23.8	Very low	119 Å²	119	132.8 Å²	132.8	77%	0.773	78%	0.775	S	S	*	*			trans	-113.3	123.5	139.7	32.5	-21.5	0	0	0	110.5
286	S	21.8	Very low	23.5	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	79%	0.788	S	S	*	*			trans	-54.6	137.9	144.4	51.8	0	0	0	0	109.5
287	I	22.1	Very low	23.4	Very low	158 Å²	158	139 Å²	139	81%	0.81	79%	0.789	S	S	*	*			trans	-170.6	127.5	138.8	-99	151.4	0	0	0	110.3	G289	I287-G289 PolarHBondContact O-N 2.69Å
288	N	21.1	Very low	23.1	Very low	161 Å²	161	138.1 Å²	138.1	86%	0.861	79%	0.792	S	S	*	*			trans	-50.4	114.3	158.2	-68.4	-44.4	0	0	0	110.4
289	G	23.3	Very low	22.9	Very low	69 Å²	69	136.6 Å²	136.6	71%	0.711	79%	0.79	S	S	*	*			trans	-118.5	84.3	169.6	0	0	0	0	0	110.2	I287 A291	I287-G289 PolarHBondContact O-N 2.69Å; G289-A291 PolarHBondContact O-N 3.41Å
290	T	20.2	Very low	22.7	Very low	142 Å²	142	135.5 Å²	135.5	87%	0.871	79%	0.789	S	S	*	*			trans	-60.2	108.9	160.1	38.5	0	0	0	0	109.2
291	A	23.4	Very low	22.7	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	80%	0.802	S	S	*	*			trans	-116.5	103.6	162.5	0	0	0	0	0	108.1	G289	G289-A291 PolarHBondContact O-N 3.41Å
292	T	19.9	Very low	22.8	Very low	127 Å²	127	137 Å²	137	78%	0.779	79%	0.79	S	S	*	*			trans	-60.7	127.9	168.5	45.6	0	0	0	0	110.5
293	L	22.8	Very low	22.6	Very low	174 Å²	174	141.8 Å²	141.8	91%	0.911	79%	0.794	S	S	*	*			trans	-123.2	99.1	154.6	-111.2	109.1	0	0	0	108.7
294	D	20.7	Very low	22.6	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	80%	0.796	S	S	*	*			trans	-78.4	150.9	166.5	-105.6	-32.4	0	0	0	111
295	R	21.5	Very low	22.7	Very low	204 Å²	204	143.4 Å²	143.4	77%	0.77	79%	0.792	S	S	*	*			trans	71.7	124.4	168	-65.8	174.4	168.9	148.5	-3.1	115.2
296	I	25.1	Very low	22.6	Very low	172 Å²	172	143.3 Å²	143.3	88%	0.882	79%	0.79	S	S	*	*				-146.9	133.5	71.9	-76.5	155.2	0	0	0	111.4
297	T	23.4	Very low	22.6	Very low	113 Å²	113	145.6 Å²	145.6	69%	0.693	79%	0.794	S	S	*	*			trans	-105.7	152.5	164.8	33.1	0	0	0	0	110
298	N	20.7	Very low	22.6	Very low	138 Å²	138	145.2 Å²	145.2	74%	0.738	79%	0.794	S	S	*	*			trans	78.5	123.5	150.8	-67	-11.4	0	0	0	122.8
299	N	23.2	Very low	22.7	Very low	136 Å²	136	146.4 Å²	146.4	73%	0.727	80%	0.799	S	S	*	*			trans	89	126.4	134.6	-69.4	-10.5	0	0	0	122.4
300	N	25	Very low	22.8	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	80%	0.797	S	S	*	*			trans	97.5	103.6	152.5	-58.9	-28	0	0	0	119.4
301	L	25	Very low	23	Very low	159 Å²	159	145.4 Å²	145.4	83%	0.832	80%	0.797	S	S	*	*			trans	14.5	151.5	138.7	-124.3	58.7	0	0	0	118.8
302	P	25.6	Very low	23.1	Very low	106 Å²	106	148.4 Å²	148.4	69%	0.688	80%	0.799	S	S	*	*			cis	-150.7	165.2	30.3	39.5	-16.3	0	0	0	121.1
303	Q	21.7	Very low	23.4	Very low	173 Å²	173	145.4 Å²	145.4	81%	0.808	79%	0.793	S	S	*	*			trans	23.2	99.5	147.6	-67.7	176.4	-16.3	0	0	119.3
304	H	25.9	Very low	23.5	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.875	79%	0.79	S	S	*	*				-177.3	106.8	112.7	-117.4	-88.3	0	0	0	108.8
305	Q	21.7	Very low	23.9	Very low	177 Å²	177	147.4 Å²	147.4	83%	0.827	80%	0.796	S	S	*	*			trans	-66	143	162.1	-60.8	170.7	-16	0	0	106.7
306	T	21.4	Very low	24.1	Very low	117 Å²	117	142.8 Å²	142.8	72%	0.718	80%	0.795	S	S	*	*			cis	-162.6	122.6	39	42.3	0	0	0	0	107.6
307	D	20.2	Very low	24.1	Very low	153 Å²	153	142 Å²	142	82%	0.818	79%	0.792	S	S	*	*	S	Bend	trans	-177	130	149.3	-92.5	-21.2	0	0	0	109.8
308	N	22.4	Very low	24.2	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	80%	0.801	S	S	*	*			trans	58.3	103.9	160.2	-64.8	-31.8	0	0	0	120.6
309	L	23.3	Very low	24.5	Very low	186 Å²	186	147.3 Å²	147.3	97%	0.974	81%	0.805	S	S	*	*			trans	-156.7	114.5	134	-92.9	134.2	0	0	0	104.7
310	G	25.5	Very low	24.6	Very low	66 Å²	66	146.8 Å²	146.8	68%	0.68	81%	0.807	S	S	*	*				111.1	70.2	59.4	0	0	0	0	0	106.2	I312	G310-I312 PolarHBondContact O-N 3.28Å
311	S	24.4	Very low	24.5	Very low	124 Å²	124	144.1 Å²	144.1	87%	0.867	81%	0.806	S	S	*	*			trans	-65.4	115.2	-179.3	-169.6	0	0	0	0	109	G313	S311-G313 PolarHBondContact O-N 3.31Å; S311-G313 VanDerWaalsContact O-N 3.09Å
312	I	25.9	Very low	24.4	Very low	157 Å²	157	144 Å²	144	81%	0.805	81%	0.805	S	S	*	*			trans	-60.5	109.7	175.3	-66.2	164.3	0	0	0	107.5	G310	G310-I312 PolarHBondContact O-N 3.28Å
313	G	26.6	Very low	24.2	Very low	64 Å²	64	146.3 Å²	146.3	66%	0.66	81%	0.812	S	S	*	*			trans	-68.2	133.7	179.4	0	0	0	0	0	111.3	S311 D315	S311-G313 PolarHBondContact O-N 3.31Å; S311-G313 VanDerWaalsContact O-N 3.09Å; G313-D315 PolarHBondContact O-N 2.97Å
314	F	24.8	Very low	24.4	Very low	194 Å²	194	150 Å²	150	85%	0.851	82%	0.819	S	S	*	*	S	Bend	trans	-66.1	87	172.6	-78.4	-99.1	0	0	0	110.5
315	D	27.7	Very low	24.1	Very low	166 Å²	166	148.2 Å²	148.2	89%	0.888	82%	0.821	S	S	*	*			trans	-157	61.6	160.1	-100	-24.9	0	0	0	110.3	G313	G313-D315 PolarHBondContact O-N 2.97Å
316	S	27.2	Very low	24.3	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	82%	0.818	S	S	*	*			trans	-159.2	43.3	166.4	-150.7	0	0	0	0	113.4
317	L	25.2	Very low	24.2	Very low	154 Å²	154	148.4 Å²	148.4	81%	0.806	83%	0.831	S	S	*	*	S	Bend	trans	-117.8	5.7	172.5	-104.2	151.1	0	0	0	113.7
318	Y	25.5	Very low	24.3	Very low	227 Å²	227	144.4 Å²	144.4	89%	0.89	83%	0.826	S	S	*	*	S	Bend	trans	-99.4	10.1	-179.1	-112.3	-84	0	0	0	115.8
319	T	26	Very low	24.3	Very low	136 Å²	136	142.6 Å²	142.6	83%	0.834	83%	0.825	S	S	*	*	S	Bend	trans	-141.3	26.9	178.6	-36.3	0	0	0	0	115.4
320	V	24.6	Very low	24.2	Very low	126 Å²	126	141 Å²	141	76%	0.764	82%	0.816	S	S	*	*	S	Bend	trans	-130.9	2.5	176	-173.3	0	0	0	0	114.7	L322	V320-L322 PolarHBondContact O-N 2.86Å
321	A	22.9	Very low	24	Very low	95 Å²	95	146.9 Å²	146.9	79%	0.785	82%	0.824	S	S	*	*	S	Bend	trans	-84.4	1.1	-178.2	0	0	0	0	0	115.8
322	L	23.1	Very low	24.3	Very low	157 Å²	157	146.2 Å²	146.2	82%	0.822	82%	0.816	S	S	*	*	S	Bend	trans	-127.1	86.1	174.2	-68.5	173.9	0	0	0	109.3	V320	V320-L322 PolarHBondContact O-N 2.86Å
323	N	22.9	Very low	24.2	Very low	154 Å²	154	147.5 Å²	147.5	82%	0.824	82%	0.819	S	S	*	*			trans	157.9	83.9	149	-81.5	-22	0	0	0	110.4
324	R	24.3	Very low	23.9	Very low	252 Å²	252	148.9 Å²	148.9	95%	0.951	82%	0.818	S	S	*	*			trans	-152.6	84.2	149.6	-77.3	-155.2	-179.8	-163.1	-1.3	110.4
325	T	21.4	Very low	23.7	Very low	150 Å²	150	145.5 Å²	145.5	92%	0.92	81%	0.814	S	S	*	*			trans	-115.2	108.2	152.3	48.5	0	0	0	0	106.5
326	G	24.3	Very low	23.5	Very low	75 Å²	75	144 Å²	144	77%	0.773	81%	0.81	S	S	*	*			trans	-179.6	112.1	-177.2	0	0	0	0	0	112
327	F	20.7	Very low	23.2	Very low	223 Å²	223	141.9 Å²	141.9	98%	0.978	80%	0.8	S	S	*	*			trans	-57.9	156.4	-178.8	-82.7	-109.6	0	0	0	115.5
328	G	21.1	Very low	23.1	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	80%	0.8	S	S	*	*			trans	128.7	115.5	136	0	0	0	0	0	119.3
329	S	22.7	Very low	22.9	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	79%	0.789	S	S	*	*			trans	52.4	118.5	149.2	64.6	0	0	0	0	120.8
330	L	20.6	Very low	22.8	Very low	152 Å²	152	133.5 Å²	133.5	80%	0.796	78%	0.783	S	S	*	*				73.5	111.7	66.7	-78	166.8	0	0	0	115.8
331	F	22.7	Very low	22.7	Very low	190 Å²	190	134.5 Å²	134.5	83%	0.833	78%	0.782	S	S	*	*			trans	97.3	137.5	154.4	-73.8	-78	0	0	0	122.4
332	P	29.8	Very low	22.7	Very low	109 Å²	109	137 Å²	137	71%	0.708	78%	0.781	S	S	*	*			trans	-115	163	-171.5	41.9	-27.9	0	0	0	114.5
333	Q	23.4	Very low	22.6	Very low	185 Å²	185	135 Å²	135	86%	0.864	78%	0.776	S	S	*	*			trans	-173.7	112.5	157.5	-104	174.1	10.1	0	0	107.9
334	S	20.8	Very low	22.6	Very low	93 Å²	93	133 Å²	133	65%	0.65	77%	0.769	S	S	*	*				78.1	111.4	84.5	73.6	0	0	0	0	116.9
335	T	21.5	Very low	22.5	Very low	122 Å²	122	126.8 Å²	126.8	75%	0.748	76%	0.759	S	S	*	*			trans	76.3	138.3	134.1	55.1	0	0	0	0	124
336	T	22.6	Very low	22.6	Very low	134 Å²	134	126.4 Å²	126.4	82%	0.822	76%	0.756	S	S	*	*			trans	70.8	149.6	153	31.1	0	0	0	0	118.5
337	A	20.7	Very low	22.5	Very low	65 Å²	65	127 Å²	127	54%	0.537	75%	0.754	S	S	.	*			cis	175.8	165.1	-28.5	0	0	0	0	0	104.8
338	T	23.3	Very low	22.8	Very low	130 Å²	130	120.8 Å²	120.8	80%	0.798	74%	0.744	S	S	*	*			trans	71.3	150.4	168	64.3	0	0	0	0	118
339	S	22.6	Very low	22.8	Very low	94 Å²	94	124.2 Å²	124.2	66%	0.657	75%	0.745	S	S	*	*			cis	-172	157.5	-25.8	-68.1	0	0	0	0	107
340	T	22.9	Very low	23.1	Very low	117 Å²	117	125.3 Å²	125.3	72%	0.718	74%	0.742	S	S	*	*			trans	84.7	109	143.6	-29.1	0	0	0	0	122.5
341	I	22.2	Very low	23.2	Very low	146 Å²	146	123.2 Å²	123.2	75%	0.749	74%	0.735	S	S	*	*				42	127.3	128.1	-36.3	169.4	0	0	0	120.8
342	I	23.8	Very low	23.1	Very low	147 Å²	147	120 Å²	120	75%	0.754	73%	0.731	S	S	*	*				157.9	122.8	115.6	-72.9	176.9	0	0	0	111.8
343	T	21.1	Very low	22.9	Very low	116 Å²	116	121.4 Å²	121.4	71%	0.712	74%	0.738	S	S	*	*			trans	-13.4	161.7	149.8	-14.2	0	0	0	0	122.1
344	T	22.3	Very low	22.8	Very low	112 Å²	112	118.9 Å²	118.9	69%	0.687	74%	0.735	S	S	*	*			trans	90.6	109.2	148	46.6	0	0	0	0	121.6
345	T	21.6	Very low	22.9	Very low	122 Å²	122	121.1 Å²	121.1	75%	0.748	75%	0.745	S	S	*	*				48.4	129.8	129.4	62	0	0	0	0	120.8
346	V	24.2	Very low	22.8	Very low	141 Å²	141	122.1 Å²	122.1	86%	0.855	75%	0.751	S	S	*	*				167.5	148	107.1	160.3	0	0	0	0	110.3
347	A	22.2	Very low	23	Very low	88 Å²	88	121.4 Å²	121.4	73%	0.727	75%	0.752	S	S	*	*			trans	-62.6	159.6	-178.3	0	0	0	0	0	117.6
348	A	26.2	Very low	23.1	Very low	92 Å²	92	124.8 Å²	124.8	76%	0.76	77%	0.766	S	S	*	*			trans	174.5	117.1	136.4	0	0	0	0	0	107.6
349	I	22.5	Very low	23.8	Very low	142 Å²	142	123.3 Å²	123.3	73%	0.728	76%	0.758	S	S	*	*				61.6	101.3	73	-59.5	174.1	0	0	0	112.8
350	N	27.6	Very low	23.9	Very low	135 Å²	135	124.6 Å²	124.6	72%	0.722	77%	0.765	S	S	*	*				167.6	116.6	114.8	-98.9	-20.4	0	0	0	114.5
351	T	23	Very low	23.7	Very low	107 Å²	107	129.4 Å²	129.4	66%	0.656	77%	0.771	S	S	*	*				39.2	123.9	121.3	50.1	0	0	0	0	123.4
352	T	21.9	Very low	23.9	Very low	122 Å²	122	130 Å²	130	75%	0.748	78%	0.776	S	S	*	*			trans	51	122.9	131.1	60.3	0	0	0	0	121
353	T	25.7	Very low	23.7	Very low	140 Å²	140	133.7 Å²	133.7	86%	0.859	78%	0.78	S	S	*	*				-172.6	132.7	112.3	19.6	0	0	0	0	112
354	T	20.2	Very low	23.6	Very low	131 Å²	131	134.2 Å²	134.2	80%	0.804	78%	0.783	S	S	*	*			trans	-73.4	135.1	161.5	39.5	0	0	0	0	110.8
355	T	23.3	Very low	23.7	Very low	141 Å²	141	134.5 Å²	134.5	87%	0.865	79%	0.79	S	S	*	*			trans	-161.9	134.5	141.7	30.7	0	0	0	0	110.7
356	T	20	Very low	23.6	Very low	142 Å²	142	138 Å²	138	87%	0.871	80%	0.798	S	S	*	*			trans	-66.2	131.5	169	42	0	0	0	0	111.9
357	S	26.3	Very low	23.6	Very low	120 Å²	120	138.6 Å²	138.6	84%	0.839	80%	0.795	S	S	*	*			trans	-153	135.8	151.7	58.7	0	0	0	0	111.4
358	V	21.3	Very low	23.5	Very low	135 Å²	135	143.5 Å²	143.5	82%	0.818	80%	0.802	S	S	*	*			trans	-108.8	159.2	166.7	168.8	0	0	0	0	104.9
359	P	39.6	Very low	23.3	Very low	99 Å²	99	147.3 Å²	147.3	64%	0.643	81%	0.805	S	S	*	*			cis	-123.3	-164.6	-6.9	29.8	-6.6	0	0	0	111.4
360	P	23.8	Very low	23.4	Very low	122 Å²	122	146 Å²	146	79%	0.792	81%	0.805	S	S	*	*				-144	145	93.5	32.5	-14.2	0	0	0	115.3
361	Y	19.1	Very low	23	Very low	217 Å²	217	144.7 Å²	144.7	85%	0.851	81%	0.806	S	S	*	*			trans	-75.6	138.3	163.6	-101.1	-97.7	0	0	0	110.9
362	N	25.8	Very low	23.2	Very low	159 Å²	159	145.8 Å²	145.8	85%	0.85	81%	0.814	S	S	*	*			trans	-154.5	98.7	155.2	-90.1	-26.5	0	0	0	105.8
363	R	19.4	Very low	23.3	Very low	225 Å²	225	148.1 Å²	148.1	85%	0.849	82%	0.817	S	S	*	*				59.5	102.9	81.2	-136.2	-168.5	-97.2	-152.7	-0.8	114.6
364	T	18.7	Very low	23.1	Very low	126 Å²	126	150.2 Å²	150.2	77%	0.773	82%	0.816	S	S	*	*			trans	56.3	115.7	143.9	52.5	0	0	0	0	120.9
365	S	25.2	Very low	23.2	Very low	119 Å²	119	155.2 Å²	155.2	83%	0.832	82%	0.82	S	S	*	*				-165.1	131.7	119.4	37.1	0	0	0	0	110.7
366	E	18.7	Very low	23.1	Very low	194 Å²	194	154.2 Å²	154.2	91%	0.907	82%	0.819	S	S	*	*			trans	-65.9	122.1	175.4	-63.7	161.5	144.2	0	0	110.1
367	I	24.6	Very low	23.3	Very low	155 Å²	155	152.9 Å²	152.9	80%	0.795	82%	0.815	S	S	*	*			trans	-131.4	103.3	151.6	-60.8	-179.4	0	0	0	106.7
368	Q	20.2	Very low	23	Very low	190 Å²	190	158.6 Å²	158.6	89%	0.888	82%	0.818	S	S	*	*			trans	-81.5	105.6	171.4	-179.2	146.1	8	0	0	108.5
369	E	22.9	Very low	23.2	Very low	172 Å²	172	160.3 Å²	160.3	80%	0.804	82%	0.821	S	S	*	*			trans	-109.8	138.8	161.6	-94.4	-169.8	153.9	0	0	110.5
370	P	23	Very low	22.3	Very low	114 Å²	114	160.9 Å²	160.9	74%	0.74	82%	0.823	S	S	*	*			trans	-88.3	140.5	-154	34	-33.6	0	0	0	113.7
371	C	21.1	Very low	22.1	Very low	109 Å²	109	160.2 Å²	160.2	74%	0.736	82%	0.821	S	S	*	*			trans	-60.5	132.3	167.2	-61.7	0	0	0	0	111.3	H373	C371-H373 PolarHBondContact O-N 2.97Å; C371-H373 VanDerWaalsContact O-N 3.08Å
372	P	26.2	Very low	22.3	Very low	129 Å²	129	155.5 Å²	155.5	84%	0.838	82%	0.815	S	S	*	*			trans	-77.8	102.1	178.1	30.4	-30.4	0	0	0	109.7
373	H	23.6	Very low	22	Very low	172 Å²	172	155.8 Å²	155.8	80%	0.796	81%	0.813	S	S	*	*			trans	-82	127.5	161.7	-81.3	-14	0	0	0	110.6	C371	C371-H373 PolarHBondContact O-N 2.97Å; C371-H373 VanDerWaalsContact O-N 3.08Å
374	H	22.4	Very low	22.2	Very low	183 Å²	183	150.9 Å²	150.9	85%	0.847	81%	0.808	S	S	*	*			trans	6.8	120.6	155.8	-84.5	-86.3	0	0	0	118.3
375	R	21	Very low	22.2	Very low	236 Å²	236	151.7 Å²	151.7	89%	0.891	80%	0.803	S	S	*	*			trans	-133.4	125.4	140.4	-80.4	-164.5	177.2	-160.3	0.9	111.5	C377	R375-C377 PolarHBondContact O-N 3.37Å
376	S	21.5	Very low	22.1	Very low	121 Å²	121	152.1 Å²	152.1	85%	0.846	80%	0.801	S	S	*	*			trans	-56.8	117.7	168.8	-64.4	0	0	0	0	110.7	R378	S376-R378 PolarHBondContact O-N 3.4Å
377	C	25.9	Very low	22.1	Very low	114 Å²	114	148.4 Å²	148.4	77%	0.77	79%	0.787	S	S	*	*			trans	-90.8	102.1	173.6	-63.7	0	0	0	0	109.3	R375 L379	R375-C377 PolarHBondContact O-N 3.37Å; C377-L379 PolarHBondContact O-N 3.22Å
378	R	19.8	Very low	22	Very low	240 Å²	240	147.8 Å²	147.8	91%	0.906	79%	0.785	S	S	*	*			trans	-71.5	108.7	155.6	-88.5	179.7	169	158.3	-3.7	106.9	S376 V380	S376-R378 PolarHBondContact O-N 3.4Å; R378-V380 PolarHBondContact O-N 3.44Å
379	L	24.1	Very low	22	Very low	170 Å²	170	145.6 Å²	145.6	89%	0.89	78%	0.779	S	S	*	*			trans	-88.6	102.1	167.7	-99.3	154.8	0	0	0	108.6	C377	C377-L379 PolarHBondContact O-N 3.22Å
380	V	21.4	Very low	21.9	Very low	111 Å²	111	143.4 Å²	143.4	67%	0.673	77%	0.771	S	S	*	*			trans	-75.2	133.7	164.8	170.3	0	0	0	0	108	R378 T382	R378-V380 PolarHBondContact O-N 3.44Å; V380-T382 PolarHBondContact O-N 2.88Å
381	S	20.5	Very low	21.8	Very low	109 Å²	109	145 Å²	145	76%	0.762	77%	0.774	S	S	*	*			trans	-51.9	118.2	169.1	-176.3	0	0	0	0	110.5
382	T	22.8	Very low	21.9	Very low	118 Å²	118	148.5 Å²	148.5	72%	0.724	78%	0.779	S	S	*	*			trans	-124.5	114.7	159.3	46	0	0	0	0	108	V380 V384	V380-T382 PolarHBondContact O-N 2.88Å; T382-V384 PolarHBondContact O-N 2.97Å
383	M	18.5	Very low	21.7	Very low	165 Å²	165	151.9 Å²	151.9	81%	0.813	78%	0.781	S	S	*	*			trans	-54.9	114.8	164.7	-76.2	165.6	50	0	0	108.3
384	V	24.8	Very low	21.6	Very low	122 Å²	122	154.8 Å²	154.8	74%	0.739	79%	0.785	S	S	*	*			trans	-97.2	103.4	163.2	178.9	0	0	0	0	106.8	T382 T386	T382-V384 PolarHBondContact O-N 2.97Å; V384-T386 HydrophobicContact CG1-CG2 4.12Å
385	Q	18.1	Very low	21.7	Very low	142 Å²	142	152.6 Å²	152.6	66%	0.664	78%	0.78	S	S	*	*			trans	-88.1	117	162.3	-173.9	160.1	-8.7	0	0	106.5
386	T	23.1	Very low	22	Very low	128 Å²	128	149 Å²	149	79%	0.785	78%	0.778	S	S	*	*			trans	-136.3	117.2	162.4	48.5	0	0	0	0	109.6	V384	V384-T386 HydrophobicContact CG1-CG2 4.12Å
387	D	18.8	Very low	22.3	Very low	116 Å²	116	146.4 Å²	146.4	62%	0.62	76%	0.76	S	S	*	*			trans	-75.4	150	-179.1	-70.8	-58.2	0	0	0	113.7
388	L	22.4	Very low	22.4	Very low	143 Å²	143	147.2 Å²	147.2	75%	0.749	76%	0.756	S	S	*	*			trans	59.5	122.8	135.7	-60.3	168.5	0	0	0	122.8
389	N	21.2	Very low	22.8	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	75%	0.749	S	S	*	*				150.1	109.8	119.1	-101.8	-19.8	0	0	0	109.5
390	I	20.6	Very low	22.8	Very low	125 Å²	125	142.3 Å²	142.3	64%	0.641	74%	0.739	S	S	*	*				64.5	120.6	67.4	-61.3	180	0	0	0	114.2
391	N	20.3	Very low	23.1	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	73%	0.734	S	S	*	*			trans	76.7	129.8	166.9	-63.5	-19.9	0	0	0	115.6
392	E	23.3	Very low	23.3	Very low	181 Å²	181	144 Å²	144	85%	0.846	73%	0.734	S	S	*	*			cis	-148.8	151.2	33.8	-74.9	-174.1	139.1	0	0	113.5	R394	E392-R394 PolarHBondContact O-N 3.22Å
393	K	21.8	Very low	23.5	Very low	201 Å²	201	144.5 Å²	144.5	87%	0.874	73%	0.733	S	S	*	*			trans	-35.5	125	159.8	-66	167.5	173.4	175	0	113.4
394	R	21.5	Very low	23.9	Very low	232 Å²	232	139.7 Å²	139.7	88%	0.875	72%	0.715	S	S	*	*			trans	-166	115.9	140.3	-108.7	163.4	-172	167.1	4	112	E392	E392-R394 PolarHBondContact O-N 3.22Å
395	N	24.2	Very low	24	Very low	138 Å²	138	142.1 Å²	142.1	74%	0.738	72%	0.716	S	S	*	*			trans	66	78.1	154.3	-61.4	-5.3	0	0	0	118.1	S397	N395-S397 VanDerWaalsContact C-N 3.27Å; N395-S397 PolarHBondContact O-N 3.41Å
396	D	27.1	Very low	24.5	Very low	160 Å²	160	143.6 Å²	143.6	86%	0.856	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	88.7	143.5	-74.3	-42.4	0	0	0	110.3
397	S	29.1	Very low	24.6	Very low	67 Å²	67	148.1 Å²	148.1	47%	0.469	73%	0.725	S	S	.	*	T	Hydrogen-bonded Turn	trans	-150.7	-8.9	159	65.2	0	0	0	0	114.6	N395	N395-S397 VanDerWaalsContact C-N 3.27Å; N395-S397 PolarHBondContact O-N 3.41Å
398	N	26	Very low	24.9	Very low	130 Å²	130	149.3 Å²	149.3	70%	0.695	73%	0.732	S	S	*	*	S	Bend	trans	-108.2	-11.8	-178.2	-72.5	-19.9	0	0	0	115.2
399	E	28.2	Very low	25	Very low	159 Å²	159	148.9 Å²	148.9	74%	0.743	74%	0.735	S	S	*	*	S	Bend	trans	-92.5	-11.7	171.5	-76.3	-150.5	155	0	0	114.3	I401	E399-I401 PolarHBondContact O-N 3.1Å
400	Q	25.2	Very low	25.2	Very low	149 Å²	149	149.9 Å²	149.9	70%	0.696	74%	0.739	S	S	*	*	H	α-helix	trans	-70.8	-19.5	170.4	-78.5	-175.6	5	0	0	112.9	S404	Q400-S404 WeakPolarHBondContact O-CB 3.46Å; Q400-S404 PolarHBondContact O-N 2.87Å; Q400-S404 PolarHBondContact O-OG 3.02Å
401	I	26.9	Very low	25.4	Very low	110 Å²	110	152.9 Å²	152.9	56%	0.564	75%	0.753	S	S	*	*	H	α-helix	trans	-79.5	-28	179.9	-59.2	175.5	0	0	0	111.5	E399	E399-I401 PolarHBondContact O-N 3.1Å
402	L	25.9	Very low	25.6	Very low	145 Å²	145	152.9 Å²	152.9	76%	0.759	75%	0.753	S	S	*	*	H	α-helix	trans	-85.7	-22.2	178.6	-148.8	75	0	0	0	113
403	N	26.5	Very low	25.5	Very low	129 Å²	129	152.7 Å²	152.7	69%	0.69	75%	0.749	S	S	*	*	H	α-helix	trans	-97.7	-11.2	177.7	-80.4	-35.5	0	0	0	114.6
404	S	27	Very low	25.6	Very low	64 Å²	64	150.7 Å²	150.7	45%	0.448	74%	0.741	S	S	.	*	H	α-helix	trans	-85.1	-19.7	173.6	74.4	0	0	0	0	113.8	Q400 H406	Q400-S404 WeakPolarHBondContact O-CB 3.46Å; Q400-S404 PolarHBondContact O-N 2.87Å; Q400-S404 PolarHBondContact O-OG 3.02Å; S404-H406 VanDerWaalsContact C-N 3.3Å; S404-H406 PolarHBondContact O-N 3.15Å
405	F	27.3	Very low	25.6	Very low	172 Å²	172	144.8 Å²	144.8	75%	0.754	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	0.8	-178.6	-108.2	-82.9	0	0	0	115.5
406	H	28	Very low	25.5	Very low	174 Å²	174	144 Å²	144	81%	0.806	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	16.6	179.5	-81.9	-55.9	0	0	0	115.7	S404	S404-H406 VanDerWaalsContact C-N 3.3Å; S404-H406 PolarHBondContact O-N 3.15Å
407	R	25.5	Very low	25.2	Very low	223 Å²	223	144.6 Å²	144.6	84%	0.842	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	-5.2	173.1	-90	-165.1	158.8	112.5	-0.7	118.1
408	D	24.1	Very low	24.9	Very low	141 Å²	141	148.1 Å²	148.1	75%	0.754	75%	0.75	S	S	*	*	S	Bend	trans	-109.9	64.7	178.9	-71	-25.9	0	0	0	112.8
409	T	26.4	Very low	24.7	Very low	133 Å²	133	148.5 Å²	148.5	82%	0.816	75%	0.752	S	S	*	*	S	Bend	trans	-163.8	121.6	148.1	-2	0	0	0	0	109
410	L	24.5	Very low	24.5	Very low	165 Å²	165	148.8 Å²	148.8	86%	0.864	76%	0.759	S	S	*	*	S	Bend	trans	83.3	68.2	176	-52.1	162.4	0	0	0	116.5
411	M	25.6	Very low	24.3	Very low	188 Å²	188	148 Å²	148	93%	0.926	76%	0.764	S	S	*	*				-171.3	114.4	123.2	-90	-46	177.5	0	0	108.7	K413	M411-K413 PolarHBondContact O-N 3.21Å
412	N	24.2	Very low	24.2	Very low	149 Å²	149	150.8 Å²	150.8	80%	0.797	78%	0.778	S	S	*	*			trans	-61.1	128.1	-178	-88.9	-34.9	0	0	0	112.9
413	K	21.5	Very low	24.1	Very low	177 Å²	177	147.6 Å²	147.6	77%	0.77	78%	0.78	S	S	*	*			trans	-6.1	118.7	156.4	-72.2	174.1	174.1	176.1	0	115.6	M411 K467	M411-K413 PolarHBondContact O-N 3.21Å; K413-K467 WeakPolarHBondContact O-CE 3.45Å; K413-K467 PolarHBondContact O-NZ 3.36Å
414	F	22.8	Very low	24.2	Very low	160 Å²	160	147.1 Å²	147.1	70%	0.702	79%	0.787	S	S	*	*			trans	-125.9	139.7	135.9	-84.9	-89.1	0	0	0	109.5	K467	F414-K467 HydrophobicContact CD1-CD 4Å; F414-K467 HydrophobicContact CE1-CB 4.37Å; F414-K467 HydrophobicContact CE1-CD 3.31Å; F414-K467 HydrophobicContact CE1-CG 3.78Å; F414-K467 HydrophobicContact CE2-CD 4.28Å; F414-K467 HydrophobicContact CE2-CG 4.31Å; F414-K467 HydrophobicContact CZ-CB 4.28Å; F414-K467 HydrophobicContact CZ-CD 3.5Å; F414-K467 VanDerWaalsContact CZ-CD 3.5Å; F414-K467 HydrophobicContact CZ-CG 3.48Å; F414-K467 VanDerWaalsContact CZ-CG 3.48Å
415	P	22	Very low	24	Very low	107 Å²	107	151.8 Å²	151.8	70%	0.695	81%	0.807	S	S	*	*			trans	-79.8	151.2	-164.4	-8.2	27.8	0	0	0	112.7
416	T	21.9	Very low	23.9	Very low	123 Å²	123	153.5 Å²	153.5	76%	0.755	81%	0.814	S	S	*	*			trans	-41.8	121.9	168.7	47.8	0	0	0	0	114.5
417	D	21.7	Very low	23.8	Very low	172 Å²	172	152.8 Å²	152.8	92%	0.92	82%	0.815	S	S	*	*			trans	-108	126.4	143.3	-88.7	-29	0	0	0	108.6
418	N	21.5	Very low	23.9	Very low	141 Å²	141	148.8 Å²	148.8	75%	0.754	81%	0.814	S	S	*	*			trans	-72.2	159.4	-175	-100.6	-17.8	0	0	0	112.6
419	N	21.7	Very low	24	Very low	137 Å²	137	152.3 Å²	152.3	73%	0.733	82%	0.823	S	S	*	*			trans	83.3	88.4	162	-57.3	-17.6	0	0	0	117.2
420	N	24.6	Very low	24	Very low	166 Å²	166	151 Å²	151	89%	0.888	82%	0.819	S	S	*	*				-170.1	99.4	110.4	-92.7	-22.9	0	0	0	110.6
421	T	21	Very low	24.1	Very low	131 Å²	131	146.9 Å²	146.9	80%	0.804	81%	0.809	S	S	*	*			trans	-58	126.1	161.2	-36.9	0	0	0	0	109.3
422	I	23.9	Very low	24.1	Very low	170 Å²	170	143.8 Å²	143.8	87%	0.872	81%	0.806	S	S	*	*			trans	164.1	114.6	141.7	-83	152.8	0	0	0	108.9
423	G	24.4	Very low	24.2	Very low	78 Å²	78	141.5 Å²	141.5	80%	0.804	81%	0.808	S	S	*	*			trans	97.5	73.9	145.2	0	0	0	0	0	118.8
424	S	28.1	Very low	24.5	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	80%	0.797	S	S	*	*			trans	-154.3	45.7	152.4	56.3	0	0	0	0	114	K426	S424-K426 PolarHBondContact O-N 2.85Å
425	D	22.8	Very low	24.8	Very low	162 Å²	162	136.3 Å²	136.3	87%	0.866	80%	0.799	S	S	*	*			trans	-75.3	99.2	155.6	-79.4	-34.6	0	0	0	108.5
426	K	26.1	Very low	25	Very low	208 Å²	208	138.6 Å²	138.6	90%	0.904	81%	0.805	S	S	*	*			trans	171.9	27.5	153.3	-95.6	165	-169.8	-174.2	0	116.7	S424	S424-K426 PolarHBondContact O-N 2.85Å
427	I	26.4	Very low	25.3	Very low	160 Å²	160	138.3 Å²	138.3	82%	0.821	80%	0.799	S	S	*	*	S	Bend	trans	-133.9	54.9	172.5	-43.2	177.5	0	0	0	112
428	V	26.8	Very low	25.7	Very low	138 Å²	138	136.5 Å²	136.5	84%	0.836	79%	0.785	S	S	*	*			trans	-150.6	81	160.3	-169	0	0	0	0	109.4
429	K	26.3	Very low	26.5	Very low	215 Å²	215	137.2 Å²	137.2	94%	0.935	78%	0.783	S	S	*	*	S	Bend	trans	-157.9	11.3	158	-114.7	168.9	-171	-179.3	0	116
430	S	25.7	Very low	27.7	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	78%	0.779	S	S	*	*	S	Bend	trans	-124.4	10.2	179.2	40.1	0	0	0	0	115.2
431	A	26.8	Very low	29.7	Very low	79 Å²	79	133.8 Å²	133.8	65%	0.653	76%	0.76	S	S	*	*	S	Bend	trans	-97.5	-9	-177.6	0	0	0	0	0	115.5
432	S	26.2	Very low	32.4	Very low	123 Å²	123	130.3 Å²	130.3	86%	0.86	74%	0.738	S	S	*	*	S	Bend	trans	-100.9	-2.6	-173.8	-52.1	0	0	0	0	115
433	A	25.9	Very low	35.4	Very low	101 Å²	101	122.8 Å²	122.8	84%	0.835	70%	0.7	S	S	*	*	S	Bend	trans	-106.2	0.3	-177.9	0	0	0	0	0	114.9
434	T	28.8	Very low	38.5	Very low	90 Å²	90	120.6 Å²	120.6	55%	0.552	67%	0.671	S	S	*	*			trans	-105	-3.7	-172	14.9	0	0	0	0	116.4	N436	T434-N436 VanDerWaalsContact C-N 3.31Å; T434-N436 PolarHBondContact O-N 3.31Å
435	L	28	Very low	41.4	Very low	139 Å²	139	115.1 Å²	115.1	73%	0.728	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-11.8	-174.7	-72.2	173.7	0	0	0	115.5
436	N	27.2	Very low	44.6	Very low	155 Å²	155	108 Å²	108	83%	0.829	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-6.3	-176.9	-74.9	-6.1	0	0	0	115.6	T434	T434-N436 VanDerWaalsContact C-N 3.31Å; T434-N436 PolarHBondContact O-N 3.31Å
437	N	28.3	Very low	47.5	Very low	117 Å²	117	100.5 Å²	100.5	63%	0.626	56%	0.563	S	S	*	*	S	Bend	trans	-112.9	-5.1	-172.7	-91.2	-5.2	0	0	0	116.1	H439	N437-H439 VanDerWaalsContact C-N 3.31Å; N437-H439 PolarHBondContact O-N 3.29Å
438	E	30.3	Very low	50.5	Low	134 Å²	134	94.9 Å²	94.9	63%	0.626	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-67.1	-29.3	-177.3	-67.5	-164.6	156.5	0	0	113.5	Q440 I441	E438-Q440 VanDerWaalsContact C-N 3.34Å; E438-Q440 PolarHBondContact O-N 3.39Å; E438-I441 PolarHBondContact O-N 3.37Å
439	H	36.9	Very low	53.5	Low	156 Å²	156	88.4 Å²	88.4	72%	0.722	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-71.6	-19	-174	-72.5	-68.5	0	0	0	115.2	N437	N437-H439 VanDerWaalsContact C-N 3.31Å; N437-H439 PolarHBondContact O-N 3.29Å
440	Q	46.8	Very low	56.3	Low	136 Å²	136	83.3 Å²	83.3	64%	0.636	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-85.5	-20.4	178.6	-80.1	-175.1	10.3	0	0	114	E438	E438-Q440 VanDerWaalsContact C-N 3.34Å; E438-Q440 PolarHBondContact O-N 3.39Å
441	I	66.6	Low	59.1	Low	95 Å²	95	82.3 Å²	82.3	49%	0.487	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-24	-168	-55.4	174.7	0	0	0	112.3	E438	E438-I441 PolarHBondContact O-N 3.37Å
442	V	79.3	Confident	61.7	Low	57 Å²	57	82.7 Å²	82.7	35%	0.345	44%	0.44	S	S	.	.	S	Bend	trans	-86.5	135.3	-177.4	-175.5	0	0	0	0	110.6	E446 I447	V442-E446 HydrophobicContact CG1-CB 4.28Å; V442-I447 HydrophobicContact CG1-CD1 4.39Å; V442-I447 HydrophobicContact CG1-CG1 3.98Å
443	N	86.2	Confident	64.1	Low	13 Å²	13	79 Å²	79	7%	0.07	41%	0.413	C	S	.	.			trans	-60	123.6	174.4	-173	-21.6	0	0	0	109.8	I445 E446 W561	N443-I445 HydrophobicContact CB-CG2 4.49Å; N443-I445 VanDerWaalsContact CG-CG2 3.41Å; N443-I445 WeakPolarHBondContact ND2-CG2 3.33Å; N443-I445 PolarHBondContact O-N 3.42Å; N443-I445 VanDerWaalsContact O-N 3.1Å; N443-I445 WeakPolarHBondContact OD1-CG2 3.06Å; N443-I445 PolarHBondContact OD1-N 3.5Å; N443-I445 VanDerWaalsContact OD1-N 3.14Å; N443-E446 HydrophobicContact CB-CB 4.32Å; N443-E446 WeakPolarHBondContact O-CB 3.46Å; N443-E446 PolarHBondContact O-N 2.8Å; N443-W561 HydrophobicContact CB-CD2 4.27Å; N443-W561 HydrophobicContact CB-CE3 4Å; N443-W561 HydrophobicContact CB-CH2 3.76Å; N443-W561 HydrophobicContact CB-CZ2 4.02Å; N443-W561 HydrophobicContact CB-CZ3 3.74Å
444	P	88.5	Confident	66.2	Low	31 Å²	31	81 Å²	81	20%	0.201	40%	0.399	C	S	.	.	H	α-helix	trans	-57.7	-29.1	-178	22.2	-35.1	0	0	0	113.6	E446 I447 Q448 V747 M764	P444-E446 VanDerWaalsContact C-N 3.27Å; P444-E446 PolarHBondContact O-N 2.91Å; P444-I447 PolarHBondContact O-N 2.86Å; P444-Q448 PolarHBondContact O-N 3.27Å; P444-V747 HydrophobicContact CG-CB 4.12Å; P444-V747 HydrophobicContact CG-CG1 3.92Å; P444-V747 HydrophobicContact CG-CG2 4.24Å; P444-M764 HydrophobicContact CB-CE 4.04Å; P444-M764 HydrophobicContact CB-SD 4.34Å; P444-M764 HydrophobicContact CG-CG 4.41Å; P444-M764 HydrophobicContact CG-SD 4.43Å
445	I	90.7	Very high	67.1	Low	3 Å²	3	80.6 Å²	80.6	2%	0.015	40%	0.399	C	S	.	.	H	α-helix	trans	-71.9	-24.7	177.8	-158.2	168.5	0	0	0	112.6	N443 Q448 F449 T749 M764 T787 P789	N443-I445 HydrophobicContact CB-CG2 4.49Å; N443-I445 VanDerWaalsContact CG-CG2 3.41Å; N443-I445 WeakPolarHBondContact ND2-CG2 3.33Å; N443-I445 PolarHBondContact O-N 3.42Å; N443-I445 VanDerWaalsContact O-N 3.1Å; N443-I445 WeakPolarHBondContact OD1-CG2 3.06Å; N443-I445 PolarHBondContact OD1-N 3.5Å; N443-I445 VanDerWaalsContact OD1-N 3.14Å; I445-Q448 PolarHBondContact O-N 3.03Å; I445-F449 HydrophobicContact CD1-CE1 4.37Å; I445-F449 HydrophobicContact CD1-CZ 4.21Å; I445-F449 HydrophobicContact CG1-CD1 4.45Å; I445-F449 HydrophobicContact CG1-CE1 3.83Å; I445-F449 HydrophobicContact CG1-CZ 3.91Å; I445-F449 WeakPolarHBondContact O-CD1 3.26Å; I445-F449 VanDerWaalsContact O-CG 3.23Å; I445-F449 WeakPolarHBondContact O-CG 3.4Å; I445-F449 PolarHBondContact O-N 3.22Å; I445-T749 HydrophobicContact CD1-CG2 3.99Å; I445-M764 HydrophobicContact CB-SD 4.32Å; I445-T787 HydrophobicContact CD1-CG2 4.13Å; I445-T787 HydrophobicContact CG1-CG2 4.41Å; I445-P789 HydrophobicContact CD1-CB 3.39Å; I445-P789 HydrophobicContact CG1-CB 4.38Å
446	E	89.6	Confident	67.9	Low	14 Å²	14	79 Å²	79	7%	0.065	39%	0.391	C	S	.	.	H	α-helix	trans	-69.1	-39	173.3	-174.8	62.1	-163.3	0	0	111.7	V442 N443 P444 Q448 F449 R450 R928 T972 Q974	V442-E446 HydrophobicContact CG1-CB 4.28Å; N443-E446 HydrophobicContact CB-CB 4.32Å; N443-E446 WeakPolarHBondContact O-CB 3.46Å; N443-E446 PolarHBondContact O-N 2.8Å; P444-E446 VanDerWaalsContact C-N 3.27Å; P444-E446 PolarHBondContact O-N 2.91Å; E446-Q448 VanDerWaalsContact C-N 3.34Å; E446-F449 PolarHBondContact O-N 3.25Å; E446-R450 WeakPolarHBondContact O-CB 3.38Å; E446-R450 PolarHBondContact O-N 3.21Å; E446-R928 IonicContact OE1-CZ 3.19Å; E446-R928 IonicContact OE1-NE 2.87Å; E446-R928 PolarHBondContact OE1-NE 3.42Å; E446-R928 IonicContact OE1-NH1 2.79Å; E446-R928 PolarHBondContact OE1-NH1 2.88Å; E446-R928 IonicContact OE1-NH2 2.82Å; E446-R928 IonicContact OE2-CZ 2.73Å; E446-R928 IonicContact OE2-NH1 3.69Å; E446-R928 PolarHBondContact OE2-NH1 2.65Å; E446-T972 WeakPolarHBondContact CG-O 3.45Å; E446-Q974 HydrophobicContact CB-CG 4.47Å; E446-Q974 VanDerWaalsContact OE2-CG 3.29Å; E446-Q974 WeakPolarHBondContact OE2-CG 3.03Å; E446-Q974 PolarHBondContact OE2-NE2 3.25Å
447	I	87.4	Confident	68.2	Low	49 Å²	49	76.3 Å²	76.3	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-47.5	176.5	-59.8	174.5	0	0	0	109.1	V442 P444 F449 R450 D451	V442-I447 HydrophobicContact CG1-CD1 4.39Å; V442-I447 HydrophobicContact CG1-CG1 3.98Å; P444-I447 PolarHBondContact O-N 2.86Å; I447-F449 VanDerWaalsContact C-N 3.35Å; I447-F449 PolarHBondContact O-N 3.3Å; I447-R450 PolarHBondContact O-N 3.15Å; I447-R450 VanDerWaalsContact O-N 3.16Å; I447-D451 WeakPolarHBondContact CG2-OD2 3.35Å; I447-D451 VanDerWaalsContact O-CG 3.23Å; I447-D451 PolarHBondContact O-N 2.94Å
448	Q	88.2	Confident	68	Low	43 Å²	43	75.4 Å²	75.4	20%	0.201	39%	0.387	C	S	.	.	H	α-helix	trans	-59.7	-41.3	176	-75.5	-173	-21.2	0	0	113.1	P444 I445 E446 R450 R452 M764 T787 L806	P444-Q448 PolarHBondContact O-N 3.27Å; I445-Q448 PolarHBondContact O-N 3.03Å; E446-Q448 VanDerWaalsContact C-N 3.34Å; Q448-R450 VanDerWaalsContact C-N 3.34Å; Q448-R450 PolarHBondContact O-N 2.85Å; Q448-R452 WeakPolarHBondContact O-CB 3.44Å; Q448-R452 VanDerWaalsContact O-CG 3.32Å; Q448-R452 WeakPolarHBondContact O-CG 3.45Å; Q448-R452 PolarHBondContact O-N 3.04Å; Q448-M764 HydrophobicContact CG-CE 4.02Å; Q448-T787 PolarHBondContact NE2-OG1 3.33Å; Q448-T787 PolarHBondContact OE1-OG1 3.15Å; Q448-L806 HydrophobicContact CB-CD1 3.97Å
449	F	90.5	Very high	67.8	Low	2 Å²	2	76.5 Å²	76.5	1%	0.009	40%	0.397	C	S	.	.	H	α-helix	trans	-62.1	-42.9	176.1	-66.5	-12.6	0	0	0	111.8	I445 E446 I447 T453 P789 L806 V880 T882 Y898	I445-F449 HydrophobicContact CD1-CE1 4.37Å; I445-F449 HydrophobicContact CD1-CZ 4.21Å; I445-F449 HydrophobicContact CG1-CD1 4.45Å; I445-F449 HydrophobicContact CG1-CE1 3.83Å; I445-F449 HydrophobicContact CG1-CZ 3.91Å; I445-F449 WeakPolarHBondContact O-CD1 3.26Å; I445-F449 VanDerWaalsContact O-CG 3.23Å; I445-F449 WeakPolarHBondContact O-CG 3.4Å; I445-F449 PolarHBondContact O-N 3.22Å; E446-F449 PolarHBondContact O-N 3.25Å; I447-F449 VanDerWaalsContact C-N 3.35Å; I447-F449 PolarHBondContact O-N 3.3Å; F449-T453 WeakPolarHBondContact O-CG2 3.3Å; F449-T453 PolarHBondContact O-N 2.96Å; F449-T453 PolarHBondContact O-OG1 3.19Å; F449-P789 HydrophobicContact CE1-CB 4.1Å; F449-P789 HydrophobicContact CE1-CG 4.28Å; F449-P789 HydrophobicContact CZ-CB 3.75Å; F449-P789 HydrophobicContact CZ-CG 4.3Å; F449-L806 HydrophobicContact CD1-CD1 4.46Å; F449-L806 HydrophobicContact CD1-CD2 3.71Å; F449-L806 HydrophobicContact CE1-CD1 4.42Å; F449-L806 HydrophobicContact CE1-CD2 3.52Å; F449-L806 HydrophobicContact CE1-CG 4.3Å; F449-V880 HydrophobicContact CB-CG1 4.25Å; F449-V880 HydrophobicContact CD1-CG1 3.51Å; F449-V880 HydrophobicContact CE1-CG1 4.01Å; F449-V880 HydrophobicContact CG-CG1 3.97Å; F449-T882 HydrophobicContact CD2-CG2 4.09Å; F449-T882 HydrophobicContact CE2-CG2 3.65Å; F449-T882 HydrophobicContact CZ-CG2 4Å; F449-Y898 HydrophobicContact CB-CD2 3.44Å; F449-Y898 VanDerWaalsContact CB-CD2 3.44Å; F449-Y898 HydrophobicContact CB-CE2 3.41Å; F449-Y898 VanDerWaalsContact CB-CE2 3.41Å; F449-Y898 HydrophobicContact CB-CG 4.21Å; F449-Y898 AromaticContact CD2-CD2 3.77Å; F449-Y898 HydrophobicContact CD2-CD2 3.77Å; F449-Y898 HydrophobicContact CD2-CE2 4.16Å; F449-Y898 AromaticContact CG-CD2 3.91Å; F449-Y898 HydrophobicContact CG-CD2 3.91Å; F449-Y898 HydrophobicContact CG-CE2 4.25Å
450	R	85.3	Confident	67.1	Low	107 Å²	107	74.6 Å²	74.6	40%	0.404	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-44.8	179.6	-171.4	178.6	72.8	175.5	-0.2	112.1	E446 I447 Q448 R452 T453 R454	E446-R450 WeakPolarHBondContact O-CB 3.38Å; E446-R450 PolarHBondContact O-N 3.21Å; I447-R450 PolarHBondContact O-N 3.15Å; I447-R450 VanDerWaalsContact O-N 3.16Å; Q448-R450 VanDerWaalsContact C-N 3.34Å; Q448-R450 PolarHBondContact O-N 2.85Å; R450-R452 VanDerWaalsContact C-N 3.33Å; R450-R452 PolarHBondContact O-N 2.88Å; R450-T453 PolarHBondContact O-N 2.7Å; R450-T453 PolarHBondContact O-OG1 3.1Å; R450-T453 VanDerWaalsContact O-OG1 3.04Å; R450-R454 HydrophobicContact CG-CG 4.29Å; R450-R454 WeakPolarHBondContact O-CB 3.21Å; R450-R454 WeakPolarHBondContact O-CG 3.46Å; R450-R454 PolarHBondContact O-N 2.66Å
451	D	83.8	Confident	65.9	Low	84 Å²	84	76.5 Å²	76.5	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-66.7	-38.3	-176.5	-65.4	-16.2	0	0	0	111.3	I447 T453 S455	I447-D451 WeakPolarHBondContact CG2-OD2 3.35Å; I447-D451 VanDerWaalsContact O-CG 3.23Å; I447-D451 PolarHBondContact O-N 2.94Å; D451-T453 VanDerWaalsContact C-N 3.26Å; D451-T453 PolarHBondContact O-N 2.85Å; D451-S455 PolarHBondContact O-N 3.39Å
452	R	82.4	Confident	63.8	Low	87 Å²	87	78.1 Å²	78.1	33%	0.328	43%	0.427	S	S	.	.	H	α-helix	trans	-67.6	-22.8	174.7	-72.3	-179.2	-175.1	-115.8	-11.2	114.6	Q448 R450 S455 D786 L806 V880	Q448-R452 WeakPolarHBondContact O-CB 3.44Å; Q448-R452 VanDerWaalsContact O-CG 3.32Å; Q448-R452 WeakPolarHBondContact O-CG 3.45Å; Q448-R452 PolarHBondContact O-N 3.04Å; R450-R452 VanDerWaalsContact C-N 3.33Å; R450-R452 PolarHBondContact O-N 2.88Å; R452-S455 PolarHBondContact O-OG 3.19Å; R452-D786 IonicContact CZ-OD1 3.76Å; R452-D786 IonicContact CZ-OD2 3.69Å; R452-D786 IonicContact NH1-OD2 3.89Å; R452-D786 PolarHBondContact NH1-OD2 2.83Å; R452-D786 IonicContact NH2-OD1 3.86Å; R452-D786 PolarHBondContact NH2-OD1 2.95Å; R452-D786 IonicContact NH2-OD2 2.76Å; R452-D786 PolarHBondContact NH2-OD2 3Å; R452-L806 PolarHBondContact NH1-O 3.12Å; R452-V880 HydrophobicContact CB-CG2 4.03Å
453	T	76.2	Confident	61	Low	47 Å²	47	81 Å²	81	29%	0.288	45%	0.449	S	S	.	.	H	α-helix	trans	-98.1	-23.1	-179.9	52.7	0	0	0	0	113.1	F449 R450 D451 V880 Y898	F449-T453 WeakPolarHBondContact O-CG2 3.3Å; F449-T453 PolarHBondContact O-N 2.96Å; F449-T453 PolarHBondContact O-OG1 3.19Å; R450-T453 PolarHBondContact O-N 2.7Å; R450-T453 PolarHBondContact O-OG1 3.1Å; R450-T453 VanDerWaalsContact O-OG1 3.04Å; D451-T453 VanDerWaalsContact C-N 3.26Å; D451-T453 PolarHBondContact O-N 2.85Å; T453-V880 HydrophobicContact CG2-CG2 4.09Å; T453-Y898 HydrophobicContact CG2-CD1 3.33Å; T453-Y898 HydrophobicContact CG2-CE1 3.64Å; T453-Y898 HydrophobicContact CG2-CG 4.23Å; T453-Y898 WeakPolarHBondContact OG1-CE1 3.48Å
454	R	68.7	Low	58	Low	143 Å²	143	88.4 Å²	88.4	54%	0.54	49%	0.488	S	S	.	.	H	α-helix	trans	-72.5	-39.1	175	-80.5	-178.3	173.8	-166.8	-1.8	113.6	R450 N456 S457	R450-R454 HydrophobicContact CG-CG 4.29Å; R450-R454 WeakPolarHBondContact O-CB 3.21Å; R450-R454 WeakPolarHBondContact O-CG 3.46Å; R450-R454 PolarHBondContact O-N 2.66Å; R454-N456 PolarHBondContact O-N 3.14Å; R454-S457 PolarHBondContact O-N 2.97Å; R454-S457 PolarHBondContact O-OG 3.08Å
455	S	47.7	Very low	54.8	Low	80 Å²	80	89.5 Å²	89.5	56%	0.559	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.8	179.9	53.6	0	0	0	0	114.3	D451 R452	D451-S455 PolarHBondContact O-N 3.39Å; R452-S455 PolarHBondContact O-OG 3.19Å
456	N	45.3	Very low	51.5	Low	106 Å²	106	97.4 Å²	97.4	57%	0.567	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-2.8	177.9	-66.9	-25.7	0	0	0	114.6	R454 P877	R454-N456 PolarHBondContact O-N 3.14Å; N456-P877 WeakPolarHBondContact ND2-CB 3.33Å
457	S	32.8	Very low	48.2	Very low	99 Å²	99	101.5 Å²	101.5	69%	0.692	57%	0.565	S	S	*	*	S	Bend	trans	-112.7	-1.5	-171.8	63.8	0	0	0	0	116.5	R454	R454-S457 PolarHBondContact O-N 2.97Å; R454-S457 PolarHBondContact O-OG 3.08Å
458	S	25.6	Very low	45.1	Very low	97 Å²	97	107.6 Å²	107.6	68%	0.678	59%	0.592	S	S	*	*			trans	-97.8	88.9	178	58.8	0	0	0	0	112.2
459	L	25.2	Very low	41.7	Very low	157 Å²	157	111 Å²	111	82%	0.822	62%	0.62	S	S	*	*			trans	-81.7	136.7	153.5	-76.7	168.3	0	0	0	108.2	L461	L459-L461 PolarHBondContact O-N 2.95Å
460	P	22.8	Very low	38.5	Very low	116 Å²	116	117.1 Å²	117.1	75%	0.753	65%	0.652	S	S	*	*			trans	-73.4	112.5	-176	-6.3	22.4	0	0	0	110.2	T462	P460-T462 PolarHBondContact O-N 2.87Å
461	L	20.7	Very low	35.3	Very low	177 Å²	177	119.2 Å²	119.2	93%	0.927	67%	0.671	S	S	*	*			trans	-71	106.1	166.9	-118.2	81.5	0	0	0	108.3	L459	L459-L461 PolarHBondContact O-N 2.95Å
462	T	22.2	Very low	32.3	Very low	129 Å²	129	124.7 Å²	124.7	79%	0.791	69%	0.691	S	S	*	*			trans	-80.2	130.1	164.7	47.7	0	0	0	0	108.9	P460 L464	P460-T462 PolarHBondContact O-N 2.87Å; T462-L464 PolarHBondContact O-N 3.48Å
463	S	20.5	Very low	29.2	Very low	117 Å²	117	125.3 Å²	125.3	82%	0.818	71%	0.709	S	S	*	*			trans	-72.6	122.2	-177.8	64	0	0	0	0	111.5
464	L	23.5	Very low	26.5	Very low	168 Å²	168	129.6 Å²	129.6	88%	0.88	74%	0.735	S	S	*	*			trans	-133.8	104.2	153.8	-93.2	156.6	0	0	0	106.5	T462	T462-L464 PolarHBondContact O-N 3.48Å
465	G	20.9	Very low	24.2	Very low	54 Å²	54	128.6 Å²	128.6	56%	0.557	75%	0.75	S	S	*	*			trans	-74.6	141.7	164.8	0	0	0	0	0	109
466	D	21.6	Very low	22.9	Very low	170 Å²	170	130.3 Å²	130.3	91%	0.909	76%	0.762	S	S	*	*				-161.9	141.5	128.9	-99.1	-27.2	0	0	0	110.9
467	K	20.8	Very low	21.9	Very low	100 Å²	100	134.6 Å²	134.6	44%	0.435	78%	0.778	S	S	.	*			trans	-90.4	130	-178	-53.7	175.1	171	-169.9	0	108.7	K413 F414	K413-K467 WeakPolarHBondContact O-CE 3.45Å; K413-K467 PolarHBondContact O-NZ 3.36Å; F414-K467 HydrophobicContact CD1-CD 4Å; F414-K467 HydrophobicContact CE1-CB 4.37Å; F414-K467 HydrophobicContact CE1-CD 3.31Å; F414-K467 HydrophobicContact CE1-CG 3.78Å; F414-K467 HydrophobicContact CE2-CD 4.28Å; F414-K467 HydrophobicContact CE2-CG 4.31Å; F414-K467 HydrophobicContact CZ-CB 4.28Å; F414-K467 HydrophobicContact CZ-CD 3.5Å; F414-K467 VanDerWaalsContact CZ-CD 3.5Å; F414-K467 HydrophobicContact CZ-CG 3.48Å; F414-K467 VanDerWaalsContact CZ-CG 3.48Å
468	Q	21.6	Very low	21.3	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	79%	0.786	S	S	*	*			trans	-143.3	109.3	149.2	-75.6	-168.4	-6.7	0	0	110
469	S	18	Very low	21.4	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	80%	0.796	S	S	*	*			trans	-73	126.6	158.6	46.5	0	0	0	0	108.8
470	I	23.5	Very low	21.3	Very low	131 Å²	131	139.2 Å²	139.2	67%	0.672	79%	0.791	S	S	*	*			trans	-134.8	115.5	164	-64.2	178.7	0	0	0	107.7
471	D	16.9	Very low	21.5	Very low	151 Å²	151	141.8 Å²	141.8	81%	0.807	80%	0.797	S	S	*	*			trans	-65.2	144.3	171.6	-62.5	-53.1	0	0	0	111.2
472	F	20.7	Very low	22	Very low	200 Å²	200	135.7 Å²	135.7	88%	0.877	78%	0.777	S	S	*	*			trans	-129.7	105.4	162.6	-111.9	-87.1	0	0	0	110.1
473	S	18.5	Very low	22.9	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	78%	0.779	S	S	*	*			trans	-76.4	130.9	167.9	51	0	0	0	0	111.4
474	T	18.6	Very low	23.6	Very low	138 Å²	138	138.6 Å²	138.6	85%	0.847	78%	0.779	S	S	*	*			trans	16.4	117.4	140.9	50.4	0	0	0	0	119.5
475	S	21.4	Very low	24.1	Very low	121 Å²	121	135.9 Å²	135.9	85%	0.846	77%	0.774	S	S	*	*			trans	-127.8	111.1	145.4	63.9	0	0	0	0	110.1
476	S	19.7	Very low	24.8	Very low	116 Å²	116	141 Å²	141	81%	0.811	78%	0.781	S	S	*	*			trans	-59.7	132	166.2	35	0	0	0	0	112.5
477	Q	24.2	Very low	25.3	Very low	196 Å²	196	139.1 Å²	139.1	92%	0.916	77%	0.769	S	S	*	*			trans	-146.6	122.5	147.2	-138.9	173.7	15	0	0	110.8
478	E	20.4	Very low	26.5	Very low	180 Å²	180	139.8 Å²	139.8	84%	0.841	78%	0.781	S	S	*	*			trans	-70.3	144	178.3	-60.4	174.1	141.3	0	0	110.4
479	N	26.7	Very low	27.4	Very low	169 Å²	169	138.7 Å²	138.7	90%	0.904	77%	0.774	S	S	*	*			trans	-155.5	115.5	142.5	-101.6	-25.1	0	0	0	109.8
480	S	23	Very low	28.4	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	76%	0.758	S	S	*	*			trans	-72.7	164.4	174.1	52.7	0	0	0	0	112.6
481	I	27.5	Very low	29.3	Very low	171 Å²	171	138.1 Å²	138.1	88%	0.877	76%	0.757	S	S	*	*			trans	102.6	107.8	166.1	-54.8	161	0	0	0	114.3
482	G	32.8	Very low	30.8	Very low	49 Å²	49	139.3 Å²	139.3	51%	0.505	76%	0.755	S	S	.	*			trans	152.2	36.4	176.8	0	0	0	0	0	113.6	M484	G482-M484 PolarHBondContact O-N 3.21Å; G482-M484 VanDerWaalsContact O-N 3.1Å
483	V	39.4	Very low	31.7	Very low	139 Å²	139	138.2 Å²	138.2	84%	0.842	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	83.1	-175.6	-170.6	0	0	0	0	109.4
484	M	35.4	Very low	33	Very low	168 Å²	168	140 Å²	140	83%	0.828	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.9	-18.7	141.3	-104.1	-169.9	-86.6	0	0	113.9	G482	G482-M484 PolarHBondContact O-N 3.21Å; G482-M484 VanDerWaalsContact O-N 3.1Å
485	S	35.3	Very low	34.6	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-10.9	179.9	-163.2	0	0	0	0	114.1
486	K	34.2	Very low	35.4	Very low	161 Å²	161	139 Å²	139	70%	0.7	72%	0.717	S	S	*	*	S	Bend	trans	-84.3	-16.1	176.8	-76	-179.5	178.1	174.8	0	114.4	T488 K489 I490	K486-T488 VanDerWaalsContact C-N 3.35Å; K486-T488 PolarHBondContact O-N 2.76Å; K486-K489 PolarHBondContact O-N 2.98Å; K486-I490 WeakPolarHBondContact O-CG1 3.33Å; K486-I490 PolarHBondContact O-N 3.05Å
487	M	32.4	Very low	36.8	Very low	131 Å²	131	136 Å²	136	65%	0.645	70%	0.7	S	S	*	*	H	α-helix	trans	-71.8	-27.6	-173.9	-152	61.5	101.1	0	0	113.3	H491	M487-H491 PolarHBondContact O-N 3.28Å
488	T	45.6	Very low	38	Very low	114 Å²	114	131.6 Å²	131.6	70%	0.699	68%	0.68	S	S	*	*	H	α-helix	trans	-77.1	-30.2	179.7	-43.6	0	0	0	0	113	K486	K486-T488 VanDerWaalsContact C-N 3.35Å; K486-T488 PolarHBondContact O-N 2.76Å
489	K	40.1	Very low	39.5	Very low	155 Å²	155	126.6 Å²	126.6	67%	0.674	67%	0.665	S	S	*	*	H	α-helix	trans	-73.3	-41.7	174.5	-80.7	-178.4	179.1	176.9	0	111.1	K486 H491 K492 Y493	K486-K489 PolarHBondContact O-N 2.98Å; K489-H491 VanDerWaalsContact C-N 3.31Å; K489-H491 PolarHBondContact O-N 2.74Å; K489-K492 PolarHBondContact O-N 3.38Å; K489-K492 VanDerWaalsContact O-N 3.12Å; K489-Y493 HydrophobicContact CB-CE2 4.48Å; K489-Y493 WeakPolarHBondContact O-CD2 3.44Å; K489-Y493 PolarHBondContact O-N 3.24Å; K489-Y493 VanDerWaalsContact O-N 3.12Å
490	I	40	Very low	40.5	Very low	88 Å²	88	121 Å²	121	45%	0.451	64%	0.642	S	S	.	*	H	α-helix	trans	-61.2	-39.1	179.6	-66	168	0	0	0	111.2	K486 K492 Y493 F494	K486-I490 WeakPolarHBondContact O-CG1 3.33Å; K486-I490 PolarHBondContact O-N 3.05Å; I490-K492 VanDerWaalsContact C-N 3.32Å; I490-K492 PolarHBondContact O-N 3.48Å; I490-Y493 PolarHBondContact O-N 3.39Å; I490-F494 HydrophobicContact CG2-CD2 3.76Å; I490-F494 HydrophobicContact CG2-CE2 4.14Å; I490-F494 WeakPolarHBondContact O-CB 3.47Å; I490-F494 PolarHBondContact O-N 3.37Å
491	H	42.9	Very low	41.3	Very low	144 Å²	144	121.8 Å²	121.8	67%	0.667	64%	0.636	S	S	*	*	H	α-helix	trans	-65.7	-30.7	177	-120.4	-70.8	0	0	0	113.9	M487 K489 R495	M487-H491 PolarHBondContact O-N 3.28Å; K489-H491 VanDerWaalsContact C-N 3.31Å; K489-H491 PolarHBondContact O-N 2.74Å; H491-R495 WeakPolarHBondContact O-CB 3.27Å; H491-R495 PolarHBondContact O-N 2.87Å
492	K	47.8	Very low	42.1	Very low	175 Å²	175	121 Å²	121	76%	0.761	63%	0.626	S	S	*	*	H	α-helix	trans	-74.8	-39.7	177	-162.9	176.8	-176.6	178.4	0	111.4	K489 I490 R495 G496	K489-K492 PolarHBondContact O-N 3.38Å; K489-K492 VanDerWaalsContact O-N 3.12Å; I490-K492 VanDerWaalsContact C-N 3.32Å; I490-K492 PolarHBondContact O-N 3.48Å; K492-R495 PolarHBondContact O-N 2.89Å; K492-G496 PolarHBondContact O-N 2.82Å
493	Y	40.4	Very low	42.7	Very low	178 Å²	178	121.8 Å²	121.8	70%	0.698	62%	0.624	S	S	*	*	H	α-helix	trans	-68.4	-38.1	170.9	-71.3	-74.8	0	0	0	111.7	K489 I490 R495 G496 A497	K489-Y493 HydrophobicContact CB-CE2 4.48Å; K489-Y493 WeakPolarHBondContact O-CD2 3.44Å; K489-Y493 PolarHBondContact O-N 3.24Å; K489-Y493 VanDerWaalsContact O-N 3.12Å; I490-Y493 PolarHBondContact O-N 3.39Å; Y493-R495 PolarHBondContact O-N 2.99Å; Y493-G496 PolarHBondContact O-N 2.84Å; Y493-A497 WeakPolarHBondContact O-CA 3.42Å; Y493-A497 WeakPolarHBondContact O-CB 3.49Å; Y493-A497 PolarHBondContact O-N 2.91Å
494	F	44.3	Very low	42.5	Very low	136 Å²	136	117.9 Å²	117.9	60%	0.596	61%	0.606	S	S	*	*	H	α-helix	trans	-67.3	-33.1	174.1	-104.9	-89.2	0	0	0	112.6	I490 M498	I490-F494 HydrophobicContact CG2-CD2 3.76Å; I490-F494 HydrophobicContact CG2-CE2 4.14Å; I490-F494 WeakPolarHBondContact O-CB 3.47Å; I490-F494 PolarHBondContact O-N 3.37Å; F494-M498 WeakPolarHBondContact O-CA 3.38Å; F494-M498 WeakPolarHBondContact O-CB 3.19Å; F494-M498 WeakPolarHBondContact O-CG 3.36Å; F494-M498 PolarHBondContact O-N 3.04Å
495	R	52.3	Low	42.6	Very low	197 Å²	197	113.4 Å²	113.4	74%	0.743	59%	0.589	S	S	*	*	H	α-helix	trans	-74.4	-39.8	174.9	-162.1	177.1	-165.2	164.6	4.8	112	H491 K492 Y493 S499	H491-R495 WeakPolarHBondContact O-CB 3.27Å; H491-R495 PolarHBondContact O-N 2.87Å; K492-R495 PolarHBondContact O-N 2.89Å; Y493-R495 PolarHBondContact O-N 2.99Å; R495-S499 VanDerWaalsContact O-CB 3.29Å; R495-S499 WeakPolarHBondContact O-CB 3.2Å; R495-S499 PolarHBondContact O-N 3.18Å; R495-S499 PolarHBondContact O-OG 3.5Å
496	G	39.6	Very low	42.5	Very low	41 Å²	41	113.9 Å²	113.9	42%	0.423	58%	0.577	S	S	.	*	H	α-helix	trans	-65.5	-45.1	173.3	0	0	0	0	0	111.7	K492 Y493 S499 A500	K492-G496 PolarHBondContact O-N 2.82Å; Y493-G496 PolarHBondContact O-N 2.84Å; G496-S499 PolarHBondContact O-N 3.46Å; G496-A500 WeakPolarHBondContact O-CB 3.37Å; G496-A500 PolarHBondContact O-N 3.38Å
497	A	47.7	Very low	42.7	Very low	54 Å²	54	112.7 Å²	112.7	45%	0.446	58%	0.578	S	S	.	*	H	α-helix	trans	-70.4	-37.4	176.1	0	0	0	0	0	111.8	Y493 S499 A500 M501	Y493-A497 WeakPolarHBondContact O-CA 3.42Å; Y493-A497 WeakPolarHBondContact O-CB 3.49Å; Y493-A497 PolarHBondContact O-N 2.91Å; A497-S499 VanDerWaalsContact C-N 3.32Å; A497-S499 PolarHBondContact O-N 2.92Å; A497-A500 CarbonylContact O-C 3.43Å; A497-A500 PolarHBondContact O-N 3.19Å; A497-M501 WeakPolarHBondContact O-CA 3.3Å; A497-M501 WeakPolarHBondContact O-CB 3.46Å; A497-M501 PolarHBondContact O-N 3.32Å
498	M	51	Low	42.6	Very low	103 Å²	103	115.5 Å²	115.5	51%	0.507	59%	0.587	S	S	.	*	H	α-helix	trans	-69.4	-29.8	171.3	-82.7	-87.1	-89.6	0	0	112	F494 K502	F494-M498 WeakPolarHBondContact O-CA 3.38Å; F494-M498 WeakPolarHBondContact O-CB 3.19Å; F494-M498 WeakPolarHBondContact O-CG 3.36Å; F494-M498 PolarHBondContact O-N 3.04Å; M498-K502 WeakPolarHBondContact O-CA 3.35Å; M498-K502 WeakPolarHBondContact O-CB 3.04Å; M498-K502 VanDerWaalsContact O-CG 3.24Å; M498-K502 WeakPolarHBondContact O-CG 3.44Å; M498-K502 PolarHBondContact O-N 3.15Å
499	S	51	Low	41.9	Very low	74 Å²	74	116 Å²	116	52%	0.517	58%	0.584	S	S	.	*	H	α-helix	trans	-74.6	-40.2	172.3	-57.9	0	0	0	0	111.1	R495 G496 A497 S503	R495-S499 VanDerWaalsContact O-CB 3.29Å; R495-S499 WeakPolarHBondContact O-CB 3.2Å; R495-S499 PolarHBondContact O-N 3.18Å; R495-S499 PolarHBondContact O-OG 3.5Å; G496-S499 PolarHBondContact O-N 3.46Å; A497-S499 VanDerWaalsContact C-N 3.32Å; A497-S499 PolarHBondContact O-N 2.92Å; S499-S503 WeakPolarHBondContact O-CB 3.49Å; S499-S503 PolarHBondContact O-N 3.46Å; S499-S503 PolarHBondContact O-OG 3.16Å
500	A	47.7	Very low	41.3	Very low	52 Å²	52	117.9 Å²	117.9	43%	0.43	59%	0.593	S	S	.	*	H	α-helix	trans	-68.2	-34.7	173.7	0	0	0	0	0	111.6	G496 A497 S503 A504	G496-A500 WeakPolarHBondContact O-CB 3.37Å; G496-A500 PolarHBondContact O-N 3.38Å; A497-A500 CarbonylContact O-C 3.43Å; A497-A500 PolarHBondContact O-N 3.19Å; A500-S503 WeakPolarHBondContact CA-OG 3.41Å; A500-S503 CarbonylContact O-C 3.57Å; A500-S503 PolarHBondContact O-N 2.9Å; A500-S503 PolarHBondContact O-OG 3.19Å; A500-A504 WeakPolarHBondContact O-CA 3.36Å; A500-A504 WeakPolarHBondContact O-CB 3.48Å; A500-A504 PolarHBondContact O-N 2.81Å
501	M	39.8	Very low	40.6	Very low	118 Å²	118	119.4 Å²	119.4	58%	0.581	60%	0.601	S	S	*	*	H	α-helix	trans	-80.5	-42.2	179	-163	175.5	-139.3	0	0	108.8	A497 S503 A504 T505	A497-M501 WeakPolarHBondContact O-CA 3.3Å; A497-M501 WeakPolarHBondContact O-CB 3.46Å; A497-M501 PolarHBondContact O-N 3.32Å; M501-S503 PolarHBondContact O-N 2.94Å; M501-S503 VanDerWaalsContact O-N 3.15Å; M501-A504 PolarHBondContact O-N 3.47Å; M501-A504 VanDerWaalsContact O-N 3.09Å; M501-T505 HydrophobicContact CG-CG2 3.87Å; M501-T505 WeakPolarHBondContact O-CB 3.33Å; M501-T505 PolarHBondContact O-N 3.03Å; M501-T505 PolarHBondContact O-OG1 2.95Å
502	K	44.2	Very low	40.2	Very low	154 Å²	154	116.6 Å²	116.6	67%	0.67	60%	0.596	S	S	*	*	H	α-helix	trans	-58.8	-24.7	165.7	-82	-175.1	175	-172.5	0	113.3	M498 K506	M498-K502 WeakPolarHBondContact O-CA 3.35Å; M498-K502 WeakPolarHBondContact O-CB 3.04Å; M498-K502 VanDerWaalsContact O-CG 3.24Å; M498-K502 WeakPolarHBondContact O-CG 3.44Å; M498-K502 PolarHBondContact O-N 3.15Å; K502-K506 VanDerWaalsContact O-CB 3.25Å; K502-K506 WeakPolarHBondContact O-CB 3.48Å
503	S	44.9	Very low	39.5	Very low	65 Å²	65	113.1 Å²	113.1	46%	0.455	59%	0.586	S	S	.	*	H	α-helix	trans	-92.6	-23.1	173.2	44.9	0	0	0	0	113.9	S499 A500 M501	S499-S503 WeakPolarHBondContact O-CB 3.49Å; S499-S503 PolarHBondContact O-N 3.46Å; S499-S503 PolarHBondContact O-OG 3.16Å; A500-S503 WeakPolarHBondContact CA-OG 3.41Å; A500-S503 CarbonylContact O-C 3.57Å; A500-S503 PolarHBondContact O-N 2.9Å; A500-S503 PolarHBondContact O-OG 3.19Å; M501-S503 PolarHBondContact O-N 2.94Å; M501-S503 VanDerWaalsContact O-N 3.15Å
504	A	36.7	Very low	39	Very low	57 Å²	57	111.4 Å²	111.4	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-94.9	-34.6	-179.4	0	0	0	0	0	113.2	A500 M501 K506 N507	A500-A504 WeakPolarHBondContact O-CA 3.36Å; A500-A504 WeakPolarHBondContact O-CB 3.48Å; A500-A504 PolarHBondContact O-N 2.81Å; M501-A504 PolarHBondContact O-N 3.47Å; M501-A504 VanDerWaalsContact O-N 3.09Å; A504-K506 VanDerWaalsContact C-N 3.27Å; A504-N507 PolarHBondContact O-N 2.64Å; A504-N507 VanDerWaalsContact O-N 3.12Å
505	T	37.4	Very low	38.4	Very low	75 Å²	75	114.7 Å²	114.7	46%	0.46	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-75	-20.8	168.9	58.2	0	0	0	0	111.7	M501 N507 K508 I509	M501-T505 HydrophobicContact CG-CG2 3.87Å; M501-T505 WeakPolarHBondContact O-CB 3.33Å; M501-T505 PolarHBondContact O-N 3.03Å; M501-T505 PolarHBondContact O-OG1 2.95Å; T505-N507 PolarHBondContact O-N 2.98Å; T505-K508 PolarHBondContact O-N 2.7Å; T505-I509 PolarHBondContact O-N 2.88Å
506	K	32.6	Very low	37.5	Very low	119 Å²	119	109 Å²	109	52%	0.517	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-66.4	-15.9	164.6	-163.6	173.5	-173.4	-177.2	0	113	K502 A504 E514	K502-K506 VanDerWaalsContact O-CB 3.25Å; K502-K506 WeakPolarHBondContact O-CB 3.48Å; A504-K506 VanDerWaalsContact C-N 3.27Å; K506-E514 IonicContact NZ-OE2 2.97Å; K506-E514 PolarHBondContact NZ-OE2 3.35Å
507	N	38	Very low	37.1	Very low	137 Å²	137	109.1 Å²	109.1	73%	0.733	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-106.5	6.3	179.5	-71.5	1.8	0	0	0	114.3	A504 T505	A504-N507 PolarHBondContact O-N 2.64Å; A504-N507 VanDerWaalsContact O-N 3.12Å; T505-N507 PolarHBondContact O-N 2.98Å
508	K	31	Very low	36.4	Very low	189 Å²	189	111.8 Å²	111.8	82%	0.822	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	-10.1	178.7	-90.9	-170	176.7	-174.5	0	116.2	T505	T505-K508 PolarHBondContact O-N 2.7Å
509	I	29.7	Very low	36.3	Very low	124 Å²	124	111.2 Å²	111.2	64%	0.636	59%	0.589	S	S	*	*	S	Bend	trans	-103.5	103.2	159.2	-59.5	167.8	0	0	0	103.2	T505 N511	T505-I509 PolarHBondContact O-N 2.88Å; I509-N511 PolarHBondContact O-N 2.85Å
510	F	28.5	Very low	36.3	Very low	196 Å²	196	112.9 Å²	112.9	86%	0.86	59%	0.592	S	S	*	*			trans	-49	96.9	165.8	-90.1	-98.6	0	0	0	107	P512	F510-P512 WeakPolarHBondContact O-CD 3.34Å
511	N	25.5	Very low	36.9	Very low	119 Å²	119	113.9 Å²	113.9	64%	0.636	59%	0.588	S	S	*	*			trans	-101.1	97.9	159.4	-122.6	12.3	0	0	0	103.1	I509 D513	I509-N511 PolarHBondContact O-N 2.85Å; N511-D513 PolarHBondContact O-N 3.32Å
512	P	35.1	Very low	38.2	Very low	86 Å²	86	112.3 Å²	112.3	56%	0.558	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-56.3	-14.7	173.1	-21.6	33.5	0	0	0	112.6	F510 E514 E515 S516	F510-P512 WeakPolarHBondContact O-CD 3.34Å; P512-E514 VanDerWaalsContact C-N 3.34Å; P512-E514 PolarHBondContact O-N 2.99Å; P512-E515 PolarHBondContact O-N 3.19Å; P512-S516 VanDerWaalsContact O-CB 3.26Å; P512-S516 WeakPolarHBondContact O-CB 3.23Å; P512-S516 PolarHBondContact O-N 3.49Å
513	D	31.3	Very low	39.4	Very low	101 Å²	101	110.1 Å²	110.1	54%	0.54	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-85.3	12.8	-167.6	-56.7	-26.3	0	0	0	116.1	N511 S516	N511-D513 PolarHBondContact O-N 3.32Å; D513-S516 CarbonylContact C-O 3.56Å; D513-S516 WeakPolarHBondContact CA-O 3.44Å
514	E	31.6	Very low	40.3	Very low	143 Å²	143	108.2 Å²	108.2	67%	0.668	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-121.6	2	167.6	-81.2	-119.3	163.7	0	0	115.1	K506 P512	K506-E514 IonicContact NZ-OE2 2.97Å; K506-E514 PolarHBondContact NZ-OE2 3.35Å; P512-E514 VanDerWaalsContact C-N 3.34Å; P512-E514 PolarHBondContact O-N 2.99Å
515	E	30.1	Very low	41.1	Very low	204 Å²	204	107.9 Å²	107.9	95%	0.953	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-7.4	150	-85.2	-177	166.4	0	0	112.2	P512	P512-E515 PolarHBondContact O-N 3.19Å
516	S	34.2	Very low	41.8	Very low	77 Å²	77	113 Å²	113	54%	0.538	59%	0.585	S	S	.	*	S	Bend	trans	-115.6	89.2	169	166.4	0	0	0	0	109.7	P512 D513	P512-S516 VanDerWaalsContact O-CB 3.26Å; P512-S516 WeakPolarHBondContact O-CB 3.23Å; P512-S516 PolarHBondContact O-N 3.49Å; D513-S516 CarbonylContact C-O 3.56Å; D513-S516 WeakPolarHBondContact CA-O 3.44Å
517	S	32.2	Very low	43.2	Very low	45 Å²	45	112.4 Å²	112.4	32%	0.315	58%	0.584	S	S	.	*	S	Bend	trans	-153.4	99.5	166	157.2	0	0	0	0	109.4	R535	S517-R535 PolarHBondContact O-NH2 3.22Å; S517-R535 PolarHBondContact OG-NH2 3.11Å
518	D	32.2	Very low	44.5	Very low	110 Å²	110	108 Å²	108	59%	0.588	57%	0.571	S	S	*	*			trans	64	54.6	153.8	-39.6	-42.5	0	0	0	115.2	R538	D518-R538 PolarHBondContact O-NH2 2.88Å
519	E	49.7	Very low	46.9	Very low	91 Å²	91	99.4 Å²	99.4	43%	0.425	53%	0.534	S	S	.	.			trans	-85.1	94.3	151.5	-65.2	-163.8	164.1	0	0	107.1	E521 R532 W1021	E519-E521 PolarHBondContact O-N 3.47Å; E519-R532 WeakPolarHBondContact OE2-CD 3.49Å; E519-R532 IonicContact OE2-NH1 2.64Å; E519-R532 PolarHBondContact OE2-NH1 3.05Å; E519-W1021 WeakPolarHBondContact OE1-CH2 3.34Å
520	D	50	Low	49.6	Very low	108 Å²	108	98.2 Å²	98.2	58%	0.578	52%	0.521	S	S	*	.			trans	-59.4	104.7	176.4	-52.3	-59.4	0	0	0	108.4	E522 R538	D520-E522 PolarHBondContact O-N 3.44Å; D520-E522 VanDerWaalsContact O-N 3.11Å; D520-R538 IonicContact OD2-CZ 3.17Å; D520-R538 IonicContact OD2-NE 2.84Å; D520-R538 IonicContact OD2-NH2 3.19Å; D520-R538 PolarHBondContact OD2-NH2 2.94Å
521	E	59.4	Low	52.4	Low	73 Å²	73	88.9 Å²	88.9	34%	0.341	48%	0.48	S	S	.	.			trans	-67.4	106.8	167.9	-72	-149.4	141.5	0	0	107.4	E519 R530 R532	E519-E521 PolarHBondContact O-N 3.47Å; E521-R530 WeakPolarHBondContact OE2-CD 3.25Å; E521-R530 IonicContact OE2-CZ 3.5Å; E521-R530 IonicContact OE2-NE 2.64Å; E521-R530 IonicContact OE2-NH1 3.75Å; E521-R530 PolarHBondContact OE2-NH1 2.8Å; E521-R532 HydrophobicContact CG-CG 4.3Å; E521-R532 IonicContact OE1-CZ 3.66Å; E521-R532 IonicContact OE1-NE 2.87Å; E521-R532 PolarHBondContact OE1-NE 2.83Å; E521-R532 IonicContact OE1-NH2 3.93Å; E521-R532 PolarHBondContact OE1-NH2 2.94Å
522	E	68	Low	55.4	Low	85 Å²	85	86.3 Å²	86.3	40%	0.397	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.3	176.3	-164.4	174.7	167.8	0	0	109	D520 I524 R530 L531 R541	D520-E522 PolarHBondContact O-N 3.44Å; D520-E522 VanDerWaalsContact O-N 3.11Å; E522-I524 PolarHBondContact O-N 3.29Å; E522-R530 WeakPolarHBondContact O-CA 3.34Å; E522-L531 PolarHBondContact N-O 2.64Å; E522-L531 VanDerWaalsContact N-O 3.12Å; E522-L531 PolarHBondContact O-N 3.07Å; E522-R541 IonicContact OE2-CZ 2.79Å; E522-R541 IonicContact OE2-NH1 3.71Å; E522-R541 PolarHBondContact OE2-NH1 2.88Å; E522-R541 IonicContact OE2-NH2 3.93Å; E522-R541 PolarHBondContact OE2-NH2 3.39Å
523	I	69.1	Low	57.9	Low	109 Å²	109	82.9 Å²	82.9	56%	0.559	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	108.9	172.6	-59.4	177.3	0	0	0	107.7	G525 I529 R530	I523-G525 PolarHBondContact O-N 2.89Å; I523-I529 CarbonylContact C-O 3.46Å; I523-R530 HydrophobicContact CG1-CG 4.46Å
524	I	63.1	Low	60.5	Low	24 Å²	24	78.3 Å²	78.3	12%	0.123	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	113.9	179.5	-61.9	175.3	0	0	0	109.8	E522 I529 L531 L544	E522-I524 PolarHBondContact O-N 3.29Å; I524-I529 PolarHBondContact N-O 3.45Å; I524-L531 HydrophobicContact CD1-CB 3.3Å; I524-L531 HydrophobicContact CD1-CD1 3.45Å; I524-L531 VanDerWaalsContact CD1-CD1 3.45Å; I524-L531 HydrophobicContact CD1-CD2 4.3Å; I524-L531 HydrophobicContact CD1-CG 3.83Å; I524-L531 HydrophobicContact CG1-CB 4.04Å; I524-L544 HydrophobicContact CD1-CD2 4.23Å; I524-L544 WeakPolarHBondContact CD1-O 3.49Å; I524-L544 WeakPolarHBondContact CG2-O 3.36Å
525	G	54.2	Low	62.6	Low	51 Å²	51	78.8 Å²	78.8	53%	0.526	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	177.6	170.9	0	0	0	0	0	115.1	I523 Q527 G528	I523-G525 PolarHBondContact O-N 2.89Å; G525-Q527 PolarHBondContact O-N 3.12Å; G525-G528 PolarHBondContact O-N 2.89Å
526	N	53.1	Low	64.6	Low	182 Å²	182	74.3 Å²	74.3	97%	0.973	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.6	-174.5	-53.9	10.4	0	0	0	113.8
527	Q	62.1	Low	66.3	Low	107 Å²	107	70.7 Å²	70.7	50%	0.5	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-5.5	-179.3	-68.3	-179.6	-21.2	0	0	113.3	G525 I529 L548	G525-Q527 PolarHBondContact O-N 3.12Å; Q527-I529 VanDerWaalsContact C-N 3.3Å; Q527-I529 HydrophobicContact CB-CD1 4.38Å; Q527-I529 HydrophobicContact CB-CG1 4.2Å; Q527-I529 PolarHBondContact O-N 2.89Å; Q527-L548 PolarHBondContact NE2-O 2.89Å; Q527-L548 PolarHBondContact OE1-O 3.11Å
528	G	65.2	Low	67.8	Low	43 Å²	43	73.1 Å²	73.1	44%	0.443	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	18.8	176.5	0	0	0	0	0	114.6	G525 R530	G525-G528 PolarHBondContact O-N 2.89Å; G528-R530 PolarHBondContact O-N 2.93Å
529	I	81.1	Confident	69.2	Low	10 Å²	10	71.6 Å²	71.6	5%	0.051	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.3	178.5	-59.9	173.7	0	0	0	108.2	I523 I524 Q527 L548 I1024 F1124	I523-I529 CarbonylContact C-O 3.46Å; I524-I529 PolarHBondContact N-O 3.45Å; Q527-I529 VanDerWaalsContact C-N 3.3Å; Q527-I529 HydrophobicContact CB-CD1 4.38Å; Q527-I529 HydrophobicContact CB-CG1 4.2Å; Q527-I529 PolarHBondContact O-N 2.89Å; I529-L548 HydrophobicContact CD1-CB 3.74Å; I529-L548 HydrophobicContact CG1-CB 4.47Å; I529-I1024 HydrophobicContact CG2-CG2 3.55Å; I529-F1124 HydrophobicContact CD1-CD1 4.43Å; I529-F1124 HydrophobicContact CD1-CE1 4.33Å
530	R	85.4	Confident	70.1	Confident	98 Å²	98	72.4 Å²	72.4	37%	0.37	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129.6	176.3	-53.8	-171.2	-172.2	179.8	1.4	109.8	E521 E522 I523 G528 K1025	E521-R530 WeakPolarHBondContact OE2-CD 3.25Å; E521-R530 IonicContact OE2-CZ 3.5Å; E521-R530 IonicContact OE2-NE 2.64Å; E521-R530 IonicContact OE2-NH1 3.75Å; E521-R530 PolarHBondContact OE2-NH1 2.8Å; E522-R530 WeakPolarHBondContact O-CA 3.34Å; I523-R530 HydrophobicContact CG1-CG 4.46Å; G528-R530 PolarHBondContact O-N 2.93Å; R530-K1025 HydrophobicContact CB-CB 3.88Å; R530-K1025 PolarHBondContact O-N 3.47Å
531	L	87.9	Confident	71.4	Confident	1 Å²	1	71 Å²	71	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.2	173.7	-179.9	144.3	0	0	0	109.8	E522 I524 S533 L544 A1023 I1024	E522-L531 PolarHBondContact N-O 2.64Å; E522-L531 VanDerWaalsContact N-O 3.12Å; E522-L531 PolarHBondContact O-N 3.07Å; I524-L531 HydrophobicContact CD1-CB 3.3Å; I524-L531 HydrophobicContact CD1-CD1 3.45Å; I524-L531 VanDerWaalsContact CD1-CD1 3.45Å; I524-L531 HydrophobicContact CD1-CD2 4.3Å; I524-L531 HydrophobicContact CD1-CG 3.83Å; I524-L531 HydrophobicContact CG1-CB 4.04Å; L531-S533 WeakPolarHBondContact CD2-OG 3.46Å; L531-L544 HydrophobicContact CD1-CD2 4.46Å; L531-L544 HydrophobicContact CD2-CD2 3.97Å; L531-A1023 CarbonylContact C-O 3.4Å; L531-A1023 VanDerWaalsContact CA-O 3.32Å; L531-A1023 WeakPolarHBondContact CA-O 3.5Å; L531-I1024 HydrophobicContact CD1-CD1 4.36Å; L531-I1024 HydrophobicContact CD1-CG1 4.25Å
532	R	88.8	Confident	72.6	Confident	65 Å²	65	70.3 Å²	70.3	25%	0.245	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.8	170	-59.5	-177.7	-176.4	-168.4	5.8	108.9	E519 E521 F994 W1021 E1022 A1023	E519-R532 WeakPolarHBondContact OE2-CD 3.49Å; E519-R532 IonicContact OE2-NH1 2.64Å; E519-R532 PolarHBondContact OE2-NH1 3.05Å; E521-R532 HydrophobicContact CG-CG 4.3Å; E521-R532 IonicContact OE1-CZ 3.66Å; E521-R532 IonicContact OE1-NE 2.87Å; E521-R532 PolarHBondContact OE1-NE 2.83Å; E521-R532 IonicContact OE1-NH2 3.93Å; E521-R532 PolarHBondContact OE1-NH2 2.94Å; R532-F994 HydrophobicContact CG-CE1 3.99Å; R532-F994 HydrophobicContact CG-CZ 4.38Å; R532-W1021 HydrophobicContact CB-CZ3 4.24Å; R532-E1022 CarbonylContact O-C 3.54Å; R532-E1022 WeakPolarHBondContact O-CA 3.4Å; R532-A1023 HydrophobicContact CB-CB 4.35Å; R532-A1023 PolarHBondContact N-O 3.27Å; R532-A1023 PolarHBondContact O-N 2.87Å
533	S	87.6	Confident	73.5	Confident	13 Å²	13	66.3 Å²	66.3	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.9	174.1	-55.2	0	0	0	0	109.5	L531 R541 W1021	L531-S533 WeakPolarHBondContact CD2-OG 3.46Å; S533-R541 WeakPolarHBondContact OG-CD 3.32Å; S533-W1021 WeakPolarHBondContact CA-O 3.33Å
534	S	86.1	Confident	74.2	Confident	5 Å²	5	63.7 Å²	63.7	4%	0.035	33%	0.328	C	S	.	.			trans	-55.4	152.5	170.1	64.2	0	0	0	0	111.1	Q536 A537 R538 N1019 C1020 W1021	S534-Q536 PolarHBondContact O-N 2.94Å; S534-Q536 VanDerWaalsContact O-N 3.13Å; S534-A537 PolarHBondContact O-N 2.8Å; S534-A537 WeakPolarHBondContact OG-CB 3.47Å; S534-A537 PolarHBondContact OG-N 2.94Å; S534-A537 VanDerWaalsContact OG-N 3.09Å; S534-R538 PolarHBondContact O-N 3.08Å; S534-N1019 WeakPolarHBondContact CB-O 3.48Å; S534-N1019 PolarHBondContact OG-O 3.12Å; S534-N1019 VanDerWaalsContact OG-O 3.06Å; S534-C1020 WeakPolarHBondContact OG-CA 3.47Å; S534-W1021 PolarHBondContact N-O 3.1Å; S534-W1021 PolarHBondContact OG-N 3.4Å; S534-W1021 VanDerWaalsContact OG-N 3.07Å; S534-W1021 PolarHBondContact OG-O 3.13Å
535	R	75.8	Confident	75.2	Confident	154 Å²	154	67.1 Å²	67.1	58%	0.581	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-34.1	173.8	-63.4	-177	179.9	-169.2	-2.3	112.1	S517	S517-R535 PolarHBondContact O-NH2 3.22Å; S517-R535 PolarHBondContact OG-NH2 3.11Å
536	Q	71.5	Confident	76.9	Confident	109 Å²	109	64.8 Å²	64.8	51%	0.509	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.6	176	-66.3	93.9	-3.7	0	0	113.9	S534 N1019 C1020	S534-Q536 PolarHBondContact O-N 2.94Å; S534-Q536 VanDerWaalsContact O-N 3.13Å; Q536-N1019 PolarHBondContact OE1-O 2.82Å; Q536-C1020 HydrophobicContact CB-CB 4.46Å
537	A	70.4	Confident	78.7	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.008	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-15.9	-179.1	0	0	0	0	0	114.1	S534 G539 R540 R541 C1020 W1021	S534-A537 PolarHBondContact O-N 2.8Å; S534-A537 WeakPolarHBondContact OG-CB 3.47Å; S534-A537 PolarHBondContact OG-N 2.94Å; S534-A537 VanDerWaalsContact OG-N 3.09Å; A537-G539 PolarHBondContact O-N 3.21Å; A537-R540 CarbonylContact O-C 3.6Å; A537-R540 PolarHBondContact O-N 2.88Å; A537-R541 VanDerWaalsContact O-CG 3.31Å; A537-R541 WeakPolarHBondContact O-CG 3.38Å; A537-R541 PolarHBondContact O-N 2.99Å; A537-C1020 WeakPolarHBondContact CA-SG 3.04Å; A537-C1020 WeakPolarHBondContact CB-SG 3.46Å; A537-W1021 WeakPolarHBondContact CB-O 3.39Å
538	R	62.4	Low	80.1	Confident	96 Å²	96	58.3 Å²	58.3	36%	0.362	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-36.5	-173.4	-84	-177	164.3	143	-1.7	114.7	D518 D520 S534 R541	D518-R538 PolarHBondContact O-NH2 2.88Å; D520-R538 IonicContact OD2-CZ 3.17Å; D520-R538 IonicContact OD2-NE 2.84Å; D520-R538 IonicContact OD2-NH2 3.19Å; D520-R538 PolarHBondContact OD2-NH2 2.94Å; S534-R538 PolarHBondContact O-N 3.08Å; R538-R541 PolarHBondContact O-NE 2.89Å
539	G	62.8	Low	81.3	Confident	78 Å²	78	58.3 Å²	58.3	80%	0.804	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.6	178.8	0	0	0	0	0	116.3	A537	A537-G539 PolarHBondContact O-N 3.21Å
540	R	68.6	Low	81.9	Confident	108 Å²	108	58.4 Å²	58.4	41%	0.408	27%	0.274	S	S	.	.			trans	-138.2	49.4	-176.7	-64	-170.3	-171.5	-172.5	5	111.1	A537 E542 D1003	A537-R540 CarbonylContact O-C 3.6Å; A537-R540 PolarHBondContact O-N 2.88Å; R540-E542 PolarHBondContact O-N 3.19Å; R540-D1003 IonicContact NH1-OD2 3.15Å
541	R	77.8	Confident	82.3	Confident	80 Å²	80	57.5 Å²	57.5	30%	0.302	27%	0.274	S	S	.	.			trans	-84.5	107.2	-179.9	-59.1	-176.2	-73.7	166.9	5.5	109.7	E522 S533 A537 R538 L544 E1022	E522-R541 IonicContact OE2-CZ 2.79Å; E522-R541 IonicContact OE2-NH1 3.71Å; E522-R541 PolarHBondContact OE2-NH1 2.88Å; E522-R541 IonicContact OE2-NH2 3.93Å; E522-R541 PolarHBondContact OE2-NH2 3.39Å; S533-R541 WeakPolarHBondContact OG-CD 3.32Å; A537-R541 VanDerWaalsContact O-CG 3.31Å; A537-R541 WeakPolarHBondContact O-CG 3.38Å; A537-R541 PolarHBondContact O-N 2.99Å; R538-R541 PolarHBondContact O-NE 2.89Å; R541-L544 HydrophobicContact CB-CD1 3.73Å; R541-L544 HydrophobicContact CB-CD2 4.1Å; R541-L544 HydrophobicContact CB-CG 3.57Å; R541-E1022 WeakPolarHBondContact CA-OE1 3.49Å; R541-E1022 WeakPolarHBondContact CB-OE2 3.39Å
542	E	83	Confident	82.6	Confident	57 Å²	57	57.9 Å²	57.9	27%	0.266	28%	0.275	S	S	.	.	S	Bend	trans	-93.7	-12.4	-177	-63.8	-172.7	173.5	0	0	112.5	R540 R984 Y985 E1022 K1126	R540-E542 PolarHBondContact O-N 3.19Å; E542-R984 VanDerWaalsContact CD-NH2 3.29Å; E542-R984 IonicContact OE1-CZ 2.62Å; E542-R984 IonicContact OE1-NH2 3.74Å; E542-R984 PolarHBondContact OE1-NH2 2.84Å; E542-R984 IonicContact OE2-CZ 3.45Å; E542-R984 IonicContact OE2-NE 3.56Å; E542-R984 IonicContact OE2-NH2 3.99Å; E542-R984 PolarHBondContact OE2-NH2 2.86Å; E542-R984 VanDerWaalsContact OE2-NH2 3.09Å; E542-Y985 VanDerWaalsContact OE2-CE1 3.25Å; E542-Y985 WeakPolarHBondContact OE2-CE1 3.5Å; E542-Y985 PolarHBondContact OE2-OH 3.46Å; E542-E1022 PolarHBondContact N-OE1 3.12Å; E542-E1022 PolarHBondContact N-OE2 2.86Å; E542-K1126 WeakPolarHBondContact O-CE 3.48Å; E542-K1126 PolarHBondContact O-NZ 2.81Å
543	F	88.5	Confident	82.8	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	28%	0.283	C	S	.	.			trans	-106.1	11.8	-177.7	-68.9	-94	0	0	0	113.8	Q545 I546 Y985 I997 E1022 I1024 F1036 E1110 K1126	F543-Q545 PolarHBondContact O-N 3.33Å; F543-Q545 VanDerWaalsContact O-N 3.11Å; F543-I546 HydrophobicContact CD1-CD1 4.27Å; F543-I546 VanDerWaalsContact O-CB 3.27Å; F543-I546 WeakPolarHBondContact O-CB 3.32Å; F543-I546 WeakPolarHBondContact O-CG2 3.14Å; F543-I546 PolarHBondContact O-N 3.32Å; F543-Y985 HydrophobicContact CE2-CD1 4.12Å; F543-Y985 AromaticContact CE2-CE1 3.98Å; F543-Y985 HydrophobicContact CE2-CE1 3.98Å; F543-Y985 HydrophobicContact CZ-CD1 4.43Å; F543-Y985 HydrophobicContact CZ-CD2 4.5Å; F543-Y985 HydrophobicContact CZ-CE1 4.39Å; F543-Y985 HydrophobicContact CZ-CE2 4.46Å; F543-Y985 HydrophobicContact CZ-CG 4.48Å; F543-I997 HydrophobicContact CD1-CD1 3.63Å; F543-I997 HydrophobicContact CD2-CD1 4.1Å; F543-I997 HydrophobicContact CD2-CG2 4.32Å; F543-I997 HydrophobicContact CE1-CD1 3.51Å; F543-I997 HydrophobicContact CE2-CB 4.44Å; F543-I997 HydrophobicContact CE2-CD1 4.01Å; F543-I997 HydrophobicContact CE2-CG2 3.68Å; F543-I997 HydrophobicContact CG-CD1 3.93Å; F543-I997 HydrophobicContact CZ-CD1 3.72Å; F543-I997 HydrophobicContact CZ-CG2 3.92Å; F543-E1022 WeakPolarHBondContact CB-OE2 3.15Å; F543-E1022 PolarHBondContact N-OE1 3.2Å; F543-E1022 PolarHBondContact N-OE2 3.4Å; F543-I1024 HydrophobicContact CB-CD1 4.45Å; F543-F1036 HydrophobicContact CE1-CE1 4.21Å; F543-F1036 HydrophobicContact CZ-CE1 4.22Å; F543-F1036 HydrophobicContact CZ-CZ 4.2Å; F543-E1110 HydrophobicContact CE1-CB 4.47Å; F543-K1126 HydrophobicContact CD1-CB 4.22Å; F543-K1126 HydrophobicContact CD1-CD 4.19Å; F543-K1126 HydrophobicContact CD1-CG 4.15Å; F543-K1126 HydrophobicContact CE1-CB 4.41Å; F543-K1126 HydrophobicContact CE1-CD 4.06Å; F543-K1126 HydrophobicContact CE1-CG 4.44Å
544	L	83	Confident	82.9	Confident	55 Å²	55	66.1 Å²	66.1	29%	0.288	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.7	175.4	-71.5	175.4	0	0	0	114.9	I524 L531 R541	I524-L544 HydrophobicContact CD1-CD2 4.23Å; I524-L544 WeakPolarHBondContact CD1-O 3.49Å; I524-L544 WeakPolarHBondContact CG2-O 3.36Å; L531-L544 HydrophobicContact CD1-CD2 4.46Å; L531-L544 HydrophobicContact CD2-CD2 3.97Å; R541-L544 HydrophobicContact CB-CD1 3.73Å; R541-L544 HydrophobicContact CB-CD2 4.1Å; R541-L544 HydrophobicContact CB-CG 3.57Å
545	Q	83.3	Confident	83.3	Confident	95 Å²	95	68.9 Å²	68.9	44%	0.444	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	13.5	178.9	-64.8	-171.9	-6.5	0	0	113.2	F543 K547	F543-Q545 PolarHBondContact O-N 3.33Å; F543-Q545 VanDerWaalsContact O-N 3.11Å; Q545-K547 PolarHBondContact O-N 2.89Å
546	I	90.7	Very high	84.3	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	31%	0.305	C	S	.	.			trans	-62.1	135.5	177.1	-162.8	172.8	0	0	0	110.4	F543 F995 I1024 F1124 K1125 K1126	F543-I546 HydrophobicContact CD1-CD1 4.27Å; F543-I546 VanDerWaalsContact O-CB 3.27Å; F543-I546 WeakPolarHBondContact O-CB 3.32Å; F543-I546 WeakPolarHBondContact O-CG2 3.14Å; F543-I546 PolarHBondContact O-N 3.32Å; I546-F995 HydrophobicContact CD1-CE2 4.5Å; I546-F995 HydrophobicContact CD1-CZ 4.09Å; I546-I1024 HydrophobicContact CD1-CG1 4.29Å; I546-I1024 HydrophobicContact CG2-CG1 4.1Å; I546-F1124 HydrophobicContact CD1-CB 3.72Å; I546-F1124 HydrophobicContact CD1-CD1 4.34Å; I546-F1124 HydrophobicContact CD1-CG 4.21Å; I546-F1124 HydrophobicContact CG1-CB 3.78Å; I546-F1124 HydrophobicContact CG1-CD1 4.38Å; I546-F1124 HydrophobicContact CG1-CG 4.47Å; I546-K1125 WeakPolarHBondContact CA-O 3.37Å; I546-K1126 HydrophobicContact CG1-CB 4.5Å
547	K	90.3	Very high	85.4	Confident	119 Å²	119	61 Å²	61	52%	0.517	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.8	-179.1	-67.7	178.3	-176.6	179.2	0	110.8	Q545 V549 F1124 K1125	Q545-K547 PolarHBondContact O-N 2.89Å; K547-V549 PolarHBondContact O-N 2.79Å; K547-F1124 CarbonylContact O-C 3.51Å; K547-F1124 WeakPolarHBondContact O-CA 3.46Å; K547-K1125 PolarHBondContact N-O 3.34Å; K547-K1125 PolarHBondContact O-N 2.68Å
548	L	91.8	Very high	86.5	Confident	35 Å²	35	62.2 Å²	62.2	18%	0.183	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	120.6	169.1	177.5	65.9	0	0	0	107.9	Q527 I529 Q550 R1122 F1124	Q527-L548 PolarHBondContact NE2-O 2.89Å; Q527-L548 PolarHBondContact OE1-O 3.11Å; I529-L548 HydrophobicContact CD1-CB 3.74Å; I529-L548 HydrophobicContact CG1-CB 4.47Å; L548-Q550 WeakPolarHBondContact CD1-O 3.26Å; L548-R1122 HydrophobicContact CD1-CB 3.79Å; L548-R1122 HydrophobicContact CD1-CG 3.92Å; L548-F1124 HydrophobicContact CB-CD1 4.15Å; L548-F1124 HydrophobicContact CB-CE1 4.03Å; L548-F1124 HydrophobicContact CD1-CD1 4.23Å; L548-F1124 HydrophobicContact CD1-CE1 3.84Å; L548-F1124 HydrophobicContact CD1-CE2 4.37Å; L548-F1124 HydrophobicContact CD1-CZ 3.92Å; L548-F1124 HydrophobicContact CG-CE1 4.49Å
549	V	91.3	Very high	88.1	Confident	42 Å²	42	57.8 Å²	57.8	26%	0.255	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-24	-176.9	-65.2	0	0	0	0	113.2	K547 V732 V1123 K1125	K547-V549 PolarHBondContact O-N 2.79Å; V549-V732 HydrophobicContact CG2-CG2 3.79Å; V549-V1123 HydrophobicContact CG2-CB 3.98Å; V549-V1123 HydrophobicContact CG2-CG1 3.78Å; V549-V1123 WeakPolarHBondContact CG2-O 3.21Å; V549-V1123 PolarHBondContact N-O 2.9Å; V549-K1125 HydrophobicContact CB-CD 4.45Å; V549-K1125 HydrophobicContact CB-CG 4.3Å; V549-K1125 HydrophobicContact CG1-CB 4.02Å; V549-K1125 HydrophobicContact CG1-CD 3.79Å; V549-K1125 HydrophobicContact CG1-CG 3.65Å; V549-K1125 HydrophobicContact CG2-CD 4.21Å; V549-K1125 HydrophobicContact CG2-CG 3.75Å
550	Q	93.6	Very high	89.8	Confident	12 Å²	12	54 Å²	54	6%	0.056	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.5	180	-179.8	169.7	12	0	0	110.7	L548 M552 T731 F733 R1122 V1123	L548-Q550 WeakPolarHBondContact CD1-O 3.26Å; Q550-M552 HydrophobicContact CG-CG 3.93Å; Q550-M552 HydrophobicContact CG-SD 4.12Å; Q550-T731 HydrophobicContact CG-CG2 4.38Å; Q550-F733 PolarHBondContact NE2-O 3.03Å; Q550-F733 PolarHBondContact OE1-O 2.82Å; Q550-R1122 WeakPolarHBondContact O-CA 3.45Å; Q550-V1123 HydrophobicContact CB-CB 4.1Å; Q550-V1123 HydrophobicContact CB-CG2 4.19Å; Q550-V1123 PolarHBondContact N-O 3.18Å; Q550-V1123 PolarHBondContact O-N 3.19Å
551	E	93.5	Very high	91.1	Very high	80 Å²	80	50.1 Å²	50.1	37%	0.374	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.5	172.4	-179.2	174.5	107.8	0	0	107.5	K553 I1121 R1122	E551-K553 HydrophobicContact CG-CD 3.99Å; E551-K553 HydrophobicContact CG-CG 3.91Å; E551-K553 WeakPolarHBondContact OE1-CD 3.35Å; E551-K553 WeakPolarHBondContact OE1-CE 3.48Å; E551-K553 IonicContact OE1-NZ 2.85Å; E551-K553 PolarHBondContact OE1-NZ 3.15Å; E551-K553 IonicContact OE2-NZ 2.64Å; E551-K553 PolarHBondContact OE2-NZ 3.49Å; E551-I1121 WeakPolarHBondContact CA-O 3.26Å; E551-R1122 HydrophobicContact CB-CG 4.35Å; E551-R1122 HydrophobicContact CG-CG 4.12Å; E551-R1122 IonicContact OE2-CZ 3.07Å; E551-R1122 IonicContact OE2-NE 2.64Å; E551-R1122 PolarHBondContact OE2-NE 3.49Å; E551-R1122 IonicContact OE2-NH2 2.74Å; E551-R1122 PolarHBondContact OE2-NH2 3.22Å
552	M	94.9	Very high	92	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	105.1	-179.7	-64.4	150.4	69.8	0	0	106.9	Q550 W584 F733 I1121	Q550-M552 HydrophobicContact CG-CG 3.93Å; Q550-M552 HydrophobicContact CG-SD 4.12Å; M552-W584 HydrophobicContact CB-CH2 4.46Å; M552-W584 HydrophobicContact CE-CB 4.32Å; M552-W584 HydrophobicContact CE-CD2 3.19Å; M552-W584 HydrophobicContact CE-CE3 2.89Å; M552-W584 HydrophobicContact CE-CG 3.85Å; M552-W584 HydrophobicContact CE-CH2 3.58Å; M552-W584 HydrophobicContact CE-CZ2 3.92Å; M552-W584 HydrophobicContact CE-CZ3 3.09Å; M552-F733 HydrophobicContact CE-CB 4.03Å; M552-F733 HydrophobicContact CE-CG 4.45Å; M552-F733 HydrophobicContact SD-CB 4.01Å; M552-F733 HydrophobicContact SD-CD2 4.1Å; M552-F733 HydrophobicContact SD-CG 4.34Å; M552-I1121 HydrophobicContact CB-CB 4.24Å; M552-I1121 PolarHBondContact N-O 2.98Å; M552-I1121 PolarHBondContact O-N 3.07Å
553	K	91.7	Very high	92.8	Very high	94 Å²	94	44.2 Å²	44.2	41%	0.409	23%	0.228	S	C	.	.			trans	-120.1	163.9	-176.9	-77.4	179.6	174.3	166	0	110	E551 E555 C1120	E551-K553 HydrophobicContact CG-CD 3.99Å; E551-K553 HydrophobicContact CG-CG 3.91Å; E551-K553 WeakPolarHBondContact OE1-CD 3.35Å; E551-K553 WeakPolarHBondContact OE1-CE 3.48Å; E551-K553 IonicContact OE1-NZ 2.85Å; E551-K553 PolarHBondContact OE1-NZ 3.15Å; E551-K553 IonicContact OE2-NZ 2.64Å; E551-K553 PolarHBondContact OE2-NZ 3.49Å; K553-E555 PolarHBondContact O-N 2.92Å; K553-E555 VanDerWaalsContact O-N 3.14Å; K553-C1120 WeakPolarHBondContact CE-SG 3.37Å; K553-C1120 HydrophobicContact CG-CB 3.85Å; K553-C1120 WeakPolarHBondContact CG-SG 3.48Å
554	N	91.1	Very high	93.2	Very high	158 Å²	158	48.4 Å²	48.4	85%	0.845	24%	0.244	S	C	*	.	S	Bend	trans	66.3	8.3	172.2	-49.6	-25.8	0	0	0	115.6
555	E	94	Very high	93.9	Very high	62 Å²	62	46.7 Å²	46.7	29%	0.29	23%	0.234	S	C	.	.	S	Bend	trans	-94.2	-45.6	175.4	-72.1	-68.2	151.9	0	0	111.5	K553 R582 W584 P737	K553-E555 PolarHBondContact O-N 2.92Å; K553-E555 VanDerWaalsContact O-N 3.14Å; E555-R582 PolarHBondContact O-NE 3.04Å; E555-R582 PolarHBondContact O-NH2 3.42Å; E555-W584 HydrophobicContact CB-CH2 3.6Å; E555-W584 HydrophobicContact CB-CZ2 4.28Å; E555-W584 HydrophobicContact CG-CH2 3.75Å; E555-W584 HydrophobicContact CG-CZ3 4.26Å; E555-P737 WeakPolarHBondContact OE2-CD 3.21Å
556	H	96.3	Very high	94.6	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.028	21%	0.213	C	C	.	.	S	Bend	trans	-88.1	144.3	168.1	-84.6	-80.2	0	0	0	110.6	I560 T574 D578 R582	H556-I560 HydrophobicContact CB-CD1 4.23Å; H556-I560 HydrophobicContact CB-CG1 4.17Å; H556-T574 PolarHBondContact CE1-O 3.15Å; H556-T574 WeakPolarHBondContact NE2-CB 3.21Å; H556-T574 PolarHBondContact NE2-OG1 3.32Å; H556-D578 WeakPolarHBondContact CA-OD2 3.49Å; H556-D578 IonicContact CE1-OD1 2.68Å; H556-D578 IonicContact CE1-OD2 3.14Å; H556-D578 IonicContact CG-OD2 3.22Å; H556-D578 IonicContact ND1-OD1 3.23Å; H556-D578 PolarHBondContact ND1-OD1 2.9Å; H556-D578 IonicContact ND1-OD2 2.66Å; H556-D578 PolarHBondContact ND1-OD2 3.29Å; H556-R582 PolarHBondContact CE1-NH1 3.45Å; H556-R582 PolarHBondContact ND1-NH1 2.9Å
557	T	94.2	Very high	94.7	Very high	93 Å²	93	45.4 Å²	45.4	57%	0.571	23%	0.234	S	C	*	.			trans	-102.1	117.8	168.7	57.2	0	0	0	0	109.7	Y577 D578	T557-Y577 WeakPolarHBondContact O-CD1 3.2Å; T557-D578 PolarHBondContact N-OD2 2.8Å; T557-D578 WeakPolarHBondContact O-CB 3.35Å; T557-D578 WeakPolarHBondContact OG1-CB 3.36Å
558	G	93.7	Very high	94.8	Very high	26 Å²	26	41.6 Å²	41.6	27%	0.268	22%	0.221	S	C	.	.	S	Bend	trans	75	-167.6	-177.9	0	0	0	0	0	114.3	C1117 N1118 G1119	G558-C1117 CarbonylContact C-O 3.5Å; G558-N1118 CarbonylContact O-C 3.56Å; G558-G1119 WeakPolarHBondContact O-CA 3.3Å; G558-G1119 PolarHBondContact O-N 3.3Å
559	A	96.1	Very high	95	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	21%	0.213	C	C	.	.			trans	-63.6	137.1	-165.8	0	0	0	0	0	114.5	W561 G576 Y577 C1117	A559-W561 HydrophobicContact CB-CD2 4.05Å; A559-W561 VanDerWaalsContact CB-CE2 3.45Å; A559-W561 HydrophobicContact CB-CE3 4.44Å; A559-W561 HydrophobicContact CB-CH2 3.79Å; A559-W561 HydrophobicContact CB-CZ2 3.32Å; A559-W561 HydrophobicContact CB-CZ3 4.32Å; A559-G576 WeakPolarHBondContact O-CA 3.42Å; A559-Y577 PolarHBondContact O-N 2.86Å; A559-C1117 WeakPolarHBondContact CA-O 3.31Å; A559-C1117 HydrophobicContact CB-CB 4.17Å; A559-C1117 WeakPolarHBondContact CB-O 3.42Å; A559-C1117 PolarHBondContact N-O 3.49Å
560	I	97.7	Very high	95.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111.9	167.8	-66.6	163.7	0	0	0	107.9	H556 T1032 A1115 D1116 I1121	H556-I560 HydrophobicContact CB-CD1 4.23Å; H556-I560 HydrophobicContact CB-CG1 4.17Å; I560-T1032 WeakPolarHBondContact O-CB 3.22Å; I560-T1032 PolarHBondContact O-OG1 2.81Å; I560-A1115 HydrophobicContact CB-CB 3.89Å; I560-A1115 HydrophobicContact CD1-CB 3.97Å; I560-A1115 HydrophobicContact CG2-CB 3.87Å; I560-D1116 PolarHBondContact N-O 3.15Å; I560-I1121 HydrophobicContact CD1-CD1 3.87Å; I560-I1121 HydrophobicContact CD1-CG1 3.47Å; I560-I1121 VanDerWaalsContact CD1-CG1 3.47Å
561	W	96.7	Very high	95.3	Very high	26 Å²	26	42 Å²	42	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-27.9	-178.8	-59.3	122	0	0	0	112.7	N443 A559 A575 M1030 T1032 V1033	N443-W561 HydrophobicContact CB-CD2 4.27Å; N443-W561 HydrophobicContact CB-CE3 4Å; N443-W561 HydrophobicContact CB-CH2 3.76Å; N443-W561 HydrophobicContact CB-CZ2 4.02Å; N443-W561 HydrophobicContact CB-CZ3 3.74Å; A559-W561 HydrophobicContact CB-CD2 4.05Å; A559-W561 VanDerWaalsContact CB-CE2 3.45Å; A559-W561 HydrophobicContact CB-CE3 4.44Å; A559-W561 HydrophobicContact CB-CH2 3.79Å; A559-W561 HydrophobicContact CB-CZ2 3.32Å; A559-W561 HydrophobicContact CB-CZ3 4.32Å; W561-A575 PolarHBondContact N-O 2.88Å; W561-M1030 HydrophobicContact CZ3-CE 4.31Å; W561-T1032 HydrophobicContact CE3-CG2 4.09Å; W561-T1032 HydrophobicContact CZ3-CG2 3.78Å; W561-V1033 WeakPolarHBondContact O-CG2 3.34Å
562	A	97.4	Very high	95.6	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.8	-177	0	0	0	0	0	110.7	T574 A575 L751	A562-T574 CarbonylContact O-C 3.54Å; A562-T574 WeakPolarHBondContact O-CA 3.38Å; A562-A575 PolarHBondContact N-O 3.38Å; A562-A575 PolarHBondContact O-N 3.22Å; A562-L751 HydrophobicContact CB-CB 4.26Å; A562-L751 HydrophobicContact CB-CD1 3.86Å; A562-L751 HydrophobicContact CB-CG 3.75Å
563	M	98.3	Very high	95.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	126.3	173.9	174.2	171.9	57.9	0	0	109.7	L572 A573 T574 V1033 V1035 V1113 A1115	M563-L572 HydrophobicContact CG-CD1 3.6Å; M563-L572 HydrophobicContact CG-CG 4.34Å; M563-L572 HydrophobicContact SD-CD1 4.05Å; M563-L572 HydrophobicContact SD-CD2 4.23Å; M563-A573 CarbonylContact C-O 3.56Å; M563-A573 VanDerWaalsContact CA-O 3.3Å; M563-A573 WeakPolarHBondContact CA-O 3.34Å; M563-T574 HydrophobicContact CB-CG2 4.19Å; M563-T574 HydrophobicContact CG-CG2 3.88Å; M563-T574 HydrophobicContact SD-CG2 4.13Å; M563-V1033 HydrophobicContact CB-CB 4.3Å; M563-V1033 HydrophobicContact CB-CG1 3.92Å; M563-V1033 HydrophobicContact CE-CB 3.93Å; M563-V1033 HydrophobicContact CE-CG1 3.75Å; M563-V1035 HydrophobicContact CE-CG2 3.91Å; M563-V1035 HydrophobicContact CG-CG2 4.43Å; M563-V1035 HydrophobicContact SD-CG2 4.44Å; M563-V1113 HydrophobicContact CE-CG1 4.24Å; M563-V1113 WeakPolarHBondContact CE-O 3.47Å; M563-V1113 HydrophobicContact SD-CB 4.26Å; M563-V1113 HydrophobicContact SD-CG1 3.61Å; M563-A1115 HydrophobicContact CE-CB 4.26Å
564	R	98.2	Very high	96.1	Very high	89 Å²	89	33.3 Å²	33.3	34%	0.336	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.5	177.5	-75.1	-64.9	-177	99.2	-5.2	111.6	A573 L751 W753	R564-A573 PolarHBondContact N-O 3.35Å; R564-A573 PolarHBondContact O-N 2.85Å; R564-L751 HydrophobicContact CG-CB 4.5Å; R564-L751 WeakPolarHBondContact CG-O 3.46Å; R564-W753 PolarHBondContact O-NE1 3.27Å
565	F	98.1	Very high	96.4	Very high	19 Å²	19	25.8 Å²	25.8	8%	0.083	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	147.5	165.4	-83.7	-82.8	0	0	0	110.7	L571 L572 F733 V1035 P1038 V1113	F565-L571 CarbonylContact C-O 3.56Å; F565-L571 WeakPolarHBondContact CA-O 3.4Å; F565-L571 WeakPolarHBondContact CD1-O 3.46Å; F565-L572 HydrophobicContact CD1-CB 4.28Å; F565-L572 HydrophobicContact CD1-CD1 4.13Å; F565-L572 HydrophobicContact CD2-CD1 3.79Å; F565-L572 HydrophobicContact CE1-CB 4.2Å; F565-L572 HydrophobicContact CE1-CD1 4.18Å; F565-L572 HydrophobicContact CE2-CD1 3.84Å; F565-L572 HydrophobicContact CG-CD1 3.94Å; F565-L572 HydrophobicContact CZ-CD1 4.04Å; F565-F733 AromaticContact CE1-CZ 3.91Å; F565-F733 HydrophobicContact CE1-CZ 3.91Å; F565-F733 HydrophobicContact CZ-CZ 4.16Å; F565-V1035 HydrophobicContact CD2-CG2 3.93Å; F565-V1035 HydrophobicContact CE2-CG2 3.95Å; F565-P1038 VanDerWaalsContact CB-CD 3.46Å; F565-P1038 HydrophobicContact CB-CG 3.65Å; F565-P1038 VanDerWaalsContact CG-CD 3.47Å; F565-P1038 HydrophobicContact CG-CG 4.24Å; F565-V1113 HydrophobicContact CE2-CB 4.22Å; F565-V1113 HydrophobicContact CE2-CG2 3.74Å; F565-V1113 HydrophobicContact CZ-CB 4.45Å; F565-V1113 HydrophobicContact CZ-CG2 3.54Å
566	S	97	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.			trans	-63.9	154.3	162.2	64.8	0	0	0	0	110	C568 G569 L571	S566-C568 PolarHBondContact O-N 2.94Å; S566-C568 PolarHBondContact OG-SG 2.83Å; S566-C568 VanDerWaalsContact OG-SG 3.33Å; S566-G569 PolarHBondContact O-N 2.71Å; S566-L571 PolarHBondContact N-O 2.66Å; S566-L571 WeakPolarHBondContact OG-CB 3.42Å; S566-L571 PolarHBondContact OG-N 3.35Å; S566-L571 PolarHBondContact OG-O 2.86Å
567	P	93.8	Very high	96.6	Very high	69 Å²	69	27.7 Å²	27.7	45%	0.448	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.1	-178.1	-30.4	37.7	0	0	0	114.4	G569 W753	P567-G569 VanDerWaalsContact C-N 3.33Å; P567-W753 HydrophobicContact CG-CB 4.45Å
568	C	92.4	Very high	96.7	Very high	39 Å²	39	23.9 Å²	23.9	26%	0.264	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.1	177.2	67.7	0	0	0	0	114.6	S566 R570 L1042	S566-C568 PolarHBondContact O-N 2.94Å; S566-C568 PolarHBondContact OG-SG 2.83Å; S566-C568 VanDerWaalsContact OG-SG 3.33Å; C568-R570 PolarHBondContact O-N 3.04Å; C568-L1042 WeakPolarHBondContact O-CD1 3.47Å
569	G	94.8	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	72.7	0	179.9	0	0	0	0	0	115.5	S566 P567	S566-G569 PolarHBondContact O-N 2.71Å; P567-G569 VanDerWaalsContact C-N 3.33Å
570	R	95.6	Very high	96.9	Very high	98 Å²	98	30 Å²	30	37%	0.37	13%	0.134	S	C	.	.	S	Bend	trans	-83.6	-21.6	-177.2	-64.1	178.8	178.8	103.4	0.5	114.1	C568 L586 C589 F593 L1042	C568-R570 PolarHBondContact O-N 3.04Å; R570-L586 PolarHBondContact O-N 3.21Å; R570-C589 VanDerWaalsContact CD-SG 3.57Å; R570-F593 HydrophobicContact CB-CE2 3.93Å; R570-F593 HydrophobicContact CB-CZ 4.26Å; R570-L1042 HydrophobicContact CG-CD1 3.8Å
571	L	97.2	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.6	-179.5	-52.7	172.2	0	0	0	109.8	F565 S566 I583 W584 V585 F593 W753 L757 I773	F565-L571 CarbonylContact C-O 3.56Å; F565-L571 WeakPolarHBondContact CA-O 3.4Å; F565-L571 WeakPolarHBondContact CD1-O 3.46Å; S566-L571 PolarHBondContact N-O 2.66Å; S566-L571 WeakPolarHBondContact OG-CB 3.42Å; S566-L571 PolarHBondContact OG-N 3.35Å; S566-L571 PolarHBondContact OG-O 2.86Å; L571-I583 HydrophobicContact CB-CG2 4.21Å; L571-I583 HydrophobicContact CD2-CG2 4.21Å; L571-W584 CarbonylContact C-O 3.59Å; L571-W584 VanDerWaalsContact CA-O 3.27Å; L571-W584 WeakPolarHBondContact CA-O 3.5Å; L571-V585 HydrophobicContact CD2-CB 4.15Å; L571-V585 HydrophobicContact CD2-CG1 4Å; L571-V585 HydrophobicContact CD2-CG2 3.56Å; L571-F593 HydrophobicContact CD1-CD1 4.4Å; L571-F593 HydrophobicContact CD1-CE1 3.83Å; L571-F593 HydrophobicContact CD1-CZ 4.02Å; L571-F593 HydrophobicContact CD2-CD1 4.13Å; L571-F593 HydrophobicContact CD2-CD2 3.87Å; L571-F593 HydrophobicContact CD2-CE1 4.05Å; L571-F593 HydrophobicContact CD2-CE2 3.76Å; L571-F593 HydrophobicContact CD2-CG 4.06Å; L571-F593 HydrophobicContact CD2-CZ 3.86Å; L571-F593 HydrophobicContact CG-CE1 4.17Å; L571-F593 HydrophobicContact CG-CE2 4.2Å; L571-F593 HydrophobicContact CG-CZ 3.89Å; L571-W753 HydrophobicContact CB-CH2 4.42Å; L571-W753 HydrophobicContact CB-CZ2 4.25Å; L571-W753 HydrophobicContact CD1-CH2 3.9Å; L571-W753 HydrophobicContact CD1-CZ3 4.36Å; L571-L757 HydrophobicContact CD1-CD2 4.12Å; L571-I773 HydrophobicContact CD1-CD1 4.36Å; L571-I773 HydrophobicContact CD1-CG1 3.97Å
572	L	98.5	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.5	171.1	178.5	69	0	0	0	107.9	M563 F565 T574 I583 W584 F733 V1113	M563-L572 HydrophobicContact CG-CD1 3.6Å; M563-L572 HydrophobicContact CG-CG 4.34Å; M563-L572 HydrophobicContact SD-CD1 4.05Å; M563-L572 HydrophobicContact SD-CD2 4.23Å; F565-L572 HydrophobicContact CD1-CB 4.28Å; F565-L572 HydrophobicContact CD1-CD1 4.13Å; F565-L572 HydrophobicContact CD2-CD1 3.79Å; F565-L572 HydrophobicContact CE1-CB 4.2Å; F565-L572 HydrophobicContact CE1-CD1 4.18Å; F565-L572 HydrophobicContact CE2-CD1 3.84Å; F565-L572 HydrophobicContact CG-CD1 3.94Å; F565-L572 HydrophobicContact CZ-CD1 4.04Å; L572-T574 HydrophobicContact CD2-CG2 4.24Å; L572-T574 HydrophobicContact CG-CG2 4.15Å; L572-I583 CarbonylContact O-C 3.47Å; L572-I583 WeakPolarHBondContact O-CA 3.49Å; L572-W584 HydrophobicContact CB-CB 4.22Å; L572-W584 PolarHBondContact N-O 3.09Å; L572-W584 VanDerWaalsContact O-CD1 3.29Å; L572-W584 PolarHBondContact O-N 3.22Å; L572-F733 HydrophobicContact CB-CE1 3.98Å; L572-F733 HydrophobicContact CB-CZ 4.09Å; L572-F733 HydrophobicContact CD2-CE2 4.42Å; L572-F733 HydrophobicContact CD2-CZ 4.11Å; L572-V1113 HydrophobicContact CD2-CG1 3.95Å
573	A	98.6	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.1	170.2	0	0	0	0	0	109.8	M563 R564 R582 I583 L751 W753 L759	M563-A573 CarbonylContact C-O 3.56Å; M563-A573 VanDerWaalsContact CA-O 3.3Å; M563-A573 WeakPolarHBondContact CA-O 3.34Å; R564-A573 PolarHBondContact N-O 3.35Å; R564-A573 PolarHBondContact O-N 2.85Å; A573-R582 CarbonylContact C-O 3.53Å; A573-R582 WeakPolarHBondContact CA-O 3.29Å; A573-I583 HydrophobicContact CB-CD1 3.69Å; A573-L751 HydrophobicContact CB-CD1 3.91Å; A573-W753 HydrophobicContact CB-CZ2 3.77Å; A573-L759 HydrophobicContact CB-CD1 4.24Å; A573-L759 HydrophobicContact CB-CD2 4.07Å
574	T	98.7	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.7	174.3	56.8	0	0	0	0	110.7	H556 A562 M563 L572 I581 R582 W584 I1121	H556-T574 PolarHBondContact CE1-O 3.15Å; H556-T574 WeakPolarHBondContact NE2-CB 3.21Å; H556-T574 PolarHBondContact NE2-OG1 3.32Å; A562-T574 CarbonylContact O-C 3.54Å; A562-T574 WeakPolarHBondContact O-CA 3.38Å; M563-T574 HydrophobicContact CB-CG2 4.19Å; M563-T574 HydrophobicContact CG-CG2 3.88Å; M563-T574 HydrophobicContact SD-CG2 4.13Å; L572-T574 HydrophobicContact CD2-CG2 4.24Å; L572-T574 HydrophobicContact CG-CG2 4.15Å; T574-I581 WeakPolarHBondContact O-CA 3.33Å; T574-R582 PolarHBondContact N-O 3.14Å; T574-R582 PolarHBondContact O-N 3.49Å; T574-W584 PolarHBondContact OG1-NE1 3.48Å; T574-I1121 HydrophobicContact CG2-CD1 3.79Å
575	A	98.2	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	160.3	178.2	0	0	0	0	0	111.5	W561 A562 I581 V748 L751	W561-A575 PolarHBondContact N-O 2.88Å; A562-A575 PolarHBondContact N-O 3.38Å; A562-A575 PolarHBondContact O-N 3.22Å; A575-I581 HydrophobicContact CB-CB 4.36Å; A575-I581 HydrophobicContact CB-CG1 4.02Å; A575-I581 HydrophobicContact CB-CG2 4.42Å; A575-V748 HydrophobicContact CB-CB 3.7Å; A575-V748 HydrophobicContact CB-CG1 3.4Å; A575-V748 HydrophobicContact CB-CG2 4.29Å; A575-L751 HydrophobicContact CB-CD1 3.88Å; A575-L751 HydrophobicContact CB-CD2 4.26Å; A575-L751 HydrophobicContact CB-CG 4.25Å
576	G	96.2	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	-130	179	0	0	0	0	0	112.8	A559 D578 R579 V748	A559-G576 WeakPolarHBondContact O-CA 3.42Å; G576-D578 VanDerWaalsContact C-N 3.3Å; G576-D578 PolarHBondContact O-N 2.93Å; G576-R579 PolarHBondContact O-N 3.32Å; G576-R579 VanDerWaalsContact O-N 3.14Å; G576-V748 PolarHBondContact O-N 2.9Å; G576-V748 VanDerWaalsContact O-N 3.17Å
577	Y	96.7	Very high	96.5	Very high	107 Å²	107	28 Å²	28	42%	0.42	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-40.6	-170.8	-178.1	-97	0	0	0	114	T557 A559 R579 V747	T557-Y577 WeakPolarHBondContact O-CD1 3.2Å; A559-Y577 PolarHBondContact O-N 2.86Å; Y577-R579 PolarHBondContact O-N 3.41Å; Y577-R579 VanDerWaalsContact O-N 3.16Å; Y577-V747 HydrophobicContact CD2-CG2 4.48Å
578	D	96.3	Very high	96.2	Very high	14 Å²	14	29.5 Å²	29.5	8%	0.075	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	4.9	-176.2	70.7	2.4	0	0	0	115.5	H556 T557 G576 N580 R582	H556-D578 WeakPolarHBondContact CA-OD2 3.49Å; H556-D578 IonicContact CE1-OD1 2.68Å; H556-D578 IonicContact CE1-OD2 3.14Å; H556-D578 IonicContact CG-OD2 3.22Å; H556-D578 IonicContact ND1-OD1 3.23Å; H556-D578 PolarHBondContact ND1-OD1 2.9Å; H556-D578 IonicContact ND1-OD2 2.66Å; H556-D578 PolarHBondContact ND1-OD2 3.29Å; T557-D578 PolarHBondContact N-OD2 2.8Å; T557-D578 WeakPolarHBondContact O-CB 3.35Å; T557-D578 WeakPolarHBondContact OG1-CB 3.36Å; G576-D578 VanDerWaalsContact C-N 3.3Å; G576-D578 PolarHBondContact O-N 2.93Å; D578-N580 PolarHBondContact O-N 3.24Å; D578-N580 PolarHBondContact O-ND2 3.22Å; D578-N580 PolarHBondContact OD1-N 3.31Å; D578-N580 VanDerWaalsContact OD1-N 3.16Å; D578-R582 IonicContact OD1-NH1 3.62Å; D578-R582 PolarHBondContact OD1-NH1 3.03Å; D578-R582 IonicContact OD2-CZ 2.9Å; D578-R582 IonicContact OD2-NH1 3.91Å; D578-R582 PolarHBondContact OD2-NH1 3.19Å; D578-R582 IonicContact OD2-NH2 3.99Å; D578-R582 PolarHBondContact OD2-NH2 3.09Å
579	R	97.3	Very high	96.2	Very high	131 Å²	131	28.4 Å²	28.4	49%	0.494	12%	0.118	S	C	.	.	S	Bend	trans	66.9	-0.9	174.5	-38.9	-179.2	-143.9	-156.6	3.4	114.6	G576 Y577 E745 G746	G576-R579 PolarHBondContact O-N 3.32Å; G576-R579 VanDerWaalsContact O-N 3.14Å; Y577-R579 PolarHBondContact O-N 3.41Å; Y577-R579 VanDerWaalsContact O-N 3.16Å; R579-E745 WeakPolarHBondContact CD-O 3.27Å; R579-E745 PolarHBondContact NH1-O 3.11Å; R579-G746 WeakPolarHBondContact CB-O 3.47Å; R579-G746 WeakPolarHBondContact CG-O 3.49Å
580	N	97.7	Very high	96	Very high	24 Å²	24	29.7 Å²	29.7	13%	0.128	12%	0.123	C	C	.	.			trans	-103.5	139.5	-176.5	-62.3	-63.1	0	0	0	109.9	D578 V740 R742	D578-N580 PolarHBondContact O-N 3.24Å; D578-N580 PolarHBondContact O-ND2 3.22Å; D578-N580 PolarHBondContact OD1-N 3.31Å; D578-N580 VanDerWaalsContact OD1-N 3.16Å; N580-V740 HydrophobicContact CB-CG1 4.05Å; N580-R742 VanDerWaalsContact CG-NH1 3.27Å; N580-R742 PolarHBondContact ND2-NH1 3.38Å; N580-R742 VanDerWaalsContact ND2-NH1 3.17Å; N580-R742 WeakPolarHBondContact OD1-CG 3.49Å; N580-R742 PolarHBondContact OD1-NH1 2.86Å
581	I	98.3	Very high	95.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.4	172.7	-49.6	156.7	0	0	0	107.3	T574 A575 I583 V740 L741 V748 L751 L759 A761	T574-I581 WeakPolarHBondContact O-CA 3.33Å; A575-I581 HydrophobicContact CB-CB 4.36Å; A575-I581 HydrophobicContact CB-CG1 4.02Å; A575-I581 HydrophobicContact CB-CG2 4.42Å; I581-I583 HydrophobicContact CG2-CD1 4.12Å; I581-V740 CarbonylContact O-C 3.57Å; I581-V740 WeakPolarHBondContact O-CA 3.48Å; I581-L741 HydrophobicContact CB-CB 4.14Å; I581-L741 HydrophobicContact CB-CD1 4.37Å; I581-L741 HydrophobicContact CD1-CB 4.41Å; I581-L741 HydrophobicContact CD1-CD1 4.47Å; I581-L741 HydrophobicContact CG2-CD1 4.4Å; I581-L741 PolarHBondContact N-O 2.88Å; I581-L741 VanDerWaalsContact N-O 3.12Å; I581-L741 PolarHBondContact O-N 3.23Å; I581-V748 HydrophobicContact CG1-CG2 4.33Å; I581-L751 HydrophobicContact CD1-CD2 4.32Å; I581-L751 HydrophobicContact CG1-CD2 4.2Å; I581-L751 HydrophobicContact CG2-CD2 3.93Å; I581-L759 HydrophobicContact CG2-CD2 3.87Å; I581-A761 HydrophobicContact CD1-CB 3.35Å; I581-A761 HydrophobicContact CG1-CB 4.25Å
582	R	98.1	Very high	95.5	Very high	17 Å²	17	38.5 Å²	38.5	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.7	176.5	-74.1	177.8	-171.3	67.1	-8	110.2	E555 H556 A573 T574 D578 W584 P737 L739 V740	E555-R582 PolarHBondContact O-NE 3.04Å; E555-R582 PolarHBondContact O-NH2 3.42Å; H556-R582 PolarHBondContact CE1-NH1 3.45Å; H556-R582 PolarHBondContact ND1-NH1 2.9Å; A573-R582 CarbonylContact C-O 3.53Å; A573-R582 WeakPolarHBondContact CA-O 3.29Å; T574-R582 PolarHBondContact N-O 3.14Å; T574-R582 PolarHBondContact O-N 3.49Å; D578-R582 IonicContact OD1-NH1 3.62Å; D578-R582 PolarHBondContact OD1-NH1 3.03Å; D578-R582 IonicContact OD2-CZ 2.9Å; D578-R582 IonicContact OD2-NH1 3.91Å; D578-R582 PolarHBondContact OD2-NH1 3.19Å; D578-R582 IonicContact OD2-NH2 3.99Å; D578-R582 PolarHBondContact OD2-NH2 3.09Å; R582-W584 HydrophobicContact CB-CZ2 4.27Å; R582-P737 HydrophobicContact CB-CB 4.08Å; R582-P737 HydrophobicContact CG-CB 4.27Å; R582-P737 HydrophobicContact CG-CG 4.23Å; R582-L739 WeakPolarHBondContact CA-O 3.47Å; R582-V740 HydrophobicContact CG-CG1 4.42Å; R582-V740 HydrophobicContact CG-CG2 4.24Å
583	I	98	Very high	95.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.1	174	-46.3	-58.9	0	0	0	109.1	L571 L572 A573 I581 P737 L738 L739 W753 L759 I773	L571-I583 HydrophobicContact CB-CG2 4.21Å; L571-I583 HydrophobicContact CD2-CG2 4.21Å; L572-I583 CarbonylContact O-C 3.47Å; L572-I583 WeakPolarHBondContact O-CA 3.49Å; A573-I583 HydrophobicContact CB-CD1 3.69Å; I581-I583 HydrophobicContact CG2-CD1 4.12Å; I583-P737 CarbonylContact O-C 3.59Å; I583-L738 PolarHBondContact O-N 3.17Å; I583-L739 HydrophobicContact CB-CB 4.11Å; I583-L739 HydrophobicContact CG1-CB 4.13Å; I583-L739 HydrophobicContact CG1-CD2 4.48Å; I583-L739 PolarHBondContact N-O 3Å; I583-L739 PolarHBondContact O-N 2.88Å; I583-W753 HydrophobicContact CD1-CH2 4.21Å; I583-W753 HydrophobicContact CD1-CZ2 4.01Å; I583-L759 HydrophobicContact CD1-CD2 3.66Å; I583-I773 HydrophobicContact CB-CD1 4.2Å; I583-I773 HydrophobicContact CG1-CD1 4.14Å; I583-I773 HydrophobicContact CG2-CD1 3.73Å
584	W	97.8	Very high	94.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.2	174.3	-42.4	88.5	0	0	0	109.4	M552 E555 L571 L572 T574 R582 F733 P737 I1121	M552-W584 HydrophobicContact CB-CH2 4.46Å; M552-W584 HydrophobicContact CE-CB 4.32Å; M552-W584 HydrophobicContact CE-CD2 3.19Å; M552-W584 HydrophobicContact CE-CE3 2.89Å; M552-W584 HydrophobicContact CE-CG 3.85Å; M552-W584 HydrophobicContact CE-CH2 3.58Å; M552-W584 HydrophobicContact CE-CZ2 3.92Å; M552-W584 HydrophobicContact CE-CZ3 3.09Å; E555-W584 HydrophobicContact CB-CH2 3.6Å; E555-W584 HydrophobicContact CB-CZ2 4.28Å; E555-W584 HydrophobicContact CG-CH2 3.75Å; E555-W584 HydrophobicContact CG-CZ3 4.26Å; L571-W584 CarbonylContact C-O 3.59Å; L571-W584 VanDerWaalsContact CA-O 3.27Å; L571-W584 WeakPolarHBondContact CA-O 3.5Å; L572-W584 HydrophobicContact CB-CB 4.22Å; L572-W584 PolarHBondContact N-O 3.09Å; L572-W584 VanDerWaalsContact O-CD1 3.29Å; L572-W584 PolarHBondContact O-N 3.22Å; T574-W584 PolarHBondContact OG1-NE1 3.48Å; R582-W584 HydrophobicContact CB-CZ2 4.27Å; W584-F733 HydrophobicContact CB-CD1 3.73Å; W584-F733 HydrophobicContact CB-CE1 4.19Å; W584-F733 HydrophobicContact CB-CG 4.31Å; W584-P737 HydrophobicContact CD2-CB 4.15Å; W584-P737 HydrophobicContact CE3-CB 3.85Å; W584-P737 HydrophobicContact CZ3-CB 4.09Å; W584-P737 HydrophobicContact CZ3-CG 4.38Å; W584-I1121 HydrophobicContact CZ2-CD1 3.61Å
585	V	95.9	Very high	94.5	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.1	-177	-171.7	0	0	0	0	108.8	L571 R587 C589 F593 F733 L738	L571-V585 HydrophobicContact CD2-CB 4.15Å; L571-V585 HydrophobicContact CD2-CG1 4Å; L571-V585 HydrophobicContact CD2-CG2 3.56Å; V585-R587 PolarHBondContact O-N 3.06Å; V585-C589 HydrophobicContact CG1-CB 4.03Å; V585-F593 HydrophobicContact CG1-CD2 3.52Å; V585-F593 HydrophobicContact CG1-CE2 4.15Å; V585-F593 HydrophobicContact CG1-CG 4.33Å; V585-F733 WeakPolarHBondContact O-CD1 3.4Å; V585-L738 HydrophobicContact CB-CB 4.49Å; V585-L738 HydrophobicContact CG2-CB 3.31Å; V585-L738 HydrophobicContact CG2-CD1 4.29Å; V585-L738 HydrophobicContact CG2-CD2 3.32Å; V585-L738 HydrophobicContact CG2-CG 3.77Å
586	L	94.6	Very high	94	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-55.4	132.1	167.7	-63.5	-174.8	0	0	0	110	R570 Q588 C589 Y590 V732 F733 L1042 I1043	R570-L586 PolarHBondContact O-N 3.21Å; L586-Q588 HydrophobicContact CB-CG 4.44Å; L586-Q588 PolarHBondContact O-N 2.95Å; L586-Q588 VanDerWaalsContact O-N 3.1Å; L586-C589 PolarHBondContact O-N 2.68Å; L586-Y590 PolarHBondContact O-N 3.18Å; L586-V732 HydrophobicContact CD2-CG1 3.55Å; L586-F733 HydrophobicContact CD2-CD1 4.19Å; L586-F733 HydrophobicContact CD2-CE1 3.73Å; L586-F733 HydrophobicContact CD2-CZ 3.95Å; L586-F733 HydrophobicContact CG-CE1 4.5Å; L586-L1042 HydrophobicContact CD1-CB 3.88Å; L586-L1042 HydrophobicContact CD1-CD1 4.2Å; L586-I1043 HydrophobicContact CD1-CD1 4.48Å; L586-I1043 HydrophobicContact CD1-CG1 3.98Å; L586-I1043 HydrophobicContact CD2-CD1 3.83Å; L586-I1043 HydrophobicContact CD2-CG1 3.76Å
587	R	90.9	Very high	93.5	Very high	77 Å²	77	48 Å²	48	29%	0.291	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-50.4	-43.9	-174.2	-176.2	-179.4	162.5	120.3	2.3	112.8	V585 C589 Y590 D640 V732	V585-R587 PolarHBondContact O-N 3.06Å; R587-C589 PolarHBondContact O-N 3.4Å; R587-Y590 WeakPolarHBondContact O-CB 3.3Å; R587-Y590 PolarHBondContact O-N 3.18Å; R587-Y590 VanDerWaalsContact O-N 3.15Å; R587-D640 IonicContact CZ-OD1 3.38Å; R587-D640 IonicContact NH2-OD1 3.7Å; R587-D640 PolarHBondContact NH2-OD1 3.17Å; R587-D640 IonicContact NH2-OD2 3.03Å; R587-V732 PolarHBondContact N-O 2.91Å
588	Q	88.1	Confident	93	Very high	102 Å²	102	49.4 Å²	49.4	48%	0.477	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-62.7	-23.3	179.3	72.9	-170.4	3.7	0	0	114.5	L586 L1042	L586-Q588 HydrophobicContact CB-CG 4.44Å; L586-Q588 PolarHBondContact O-N 2.95Å; L586-Q588 VanDerWaalsContact O-N 3.1Å; Q588-L1042 PolarHBondContact NE2-O 3.07Å; Q588-L1042 PolarHBondContact OE1-O 3.21Å
589	C	91.8	Very high	92	Very high	16 Å²	16	53.2 Å²	53.2	11%	0.108	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-101.1	-2.4	179.9	-58.8	0	0	0	0	112.8	R570 V585 L586 R587 R591 Y592 F593	R570-C589 VanDerWaalsContact CD-SG 3.57Å; V585-C589 HydrophobicContact CG1-CB 4.03Å; L586-C589 PolarHBondContact O-N 2.68Å; R587-C589 PolarHBondContact O-N 3.4Å; C589-R591 VanDerWaalsContact C-N 3.35Å; C589-R591 PolarHBondContact O-N 2.95Å; C589-Y592 PolarHBondContact O-N 2.92Å; C589-F593 HydrophobicContact CB-CD2 3.93Å; C589-F593 HydrophobicContact CB-CE2 3.87Å; C589-F593 WeakPolarHBondContact O-CD2 3.49Å; C589-F593 PolarHBondContact O-N 3.1Å
590	Y	91.3	Very high	90.6	Very high	26 Å²	26	49.1 Å²	49.1	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-45.8	-173.3	-177.4	-95	0	0	0	112.6	L586 R587 Y592 F593 K594 R734 L738	L586-Y590 PolarHBondContact O-N 3.18Å; R587-Y590 WeakPolarHBondContact O-CB 3.3Å; R587-Y590 PolarHBondContact O-N 3.18Å; R587-Y590 VanDerWaalsContact O-N 3.15Å; Y590-Y592 PolarHBondContact O-N 2.71Å; Y590-F593 PolarHBondContact O-N 2.83Å; Y590-K594 HydrophobicContact CE1-CB 4.28Å; Y590-K594 HydrophobicContact CE1-CD 4.44Å; Y590-K594 HydrophobicContact CE1-CG 4.36Å; Y590-K594 VanDerWaalsContact O-CB 3.31Å; Y590-K594 WeakPolarHBondContact O-CB 3.36Å; Y590-K594 PolarHBondContact O-N 2.87Å; Y590-R734 VanDerWaalsContact CD2-CD 3.41Å; Y590-R734 HydrophobicContact CD2-CG 4.27Å; Y590-L738 HydrophobicContact CD2-CD1 4.1Å; Y590-L738 HydrophobicContact CE2-CB 4.46Å; Y590-L738 HydrophobicContact CE2-CD1 3.64Å
591	R	91.2	Very high	88.8	Confident	131 Å²	131	52.1 Å²	52.1	49%	0.494	25%	0.245	S	C	.	.	H	α-helix	trans	-59.3	-45.1	-179.6	-64.7	-65.3	-177.2	143.3	5.4	112	C589 K594 E595 N637	C589-R591 VanDerWaalsContact C-N 3.35Å; C589-R591 PolarHBondContact O-N 2.95Å; R591-K594 PolarHBondContact O-N 2.99Å; R591-E595 WeakPolarHBondContact O-CB 3Å; R591-E595 PolarHBondContact O-N 2.96Å; R591-N637 VanDerWaalsContact CZ-CG 3.46Å; R591-N637 VanDerWaalsContact CZ-OD1 3.27Å; R591-N637 PolarHBondContact NH1-ND2 3.17Å; R591-N637 VanDerWaalsContact NH1-ND2 3.13Å; R591-N637 PolarHBondContact NH2-ND2 3.46Å; R591-N637 PolarHBondContact NH2-OD1 3.45Å
592	Y	92.2	Very high	86.4	Confident	153 Å²	153	57.4 Å²	57.4	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-58.4	-51.6	177.9	172.3	-97.2	0	0	0	111.9	C589 Y590 K594 E595 M596	C589-Y592 PolarHBondContact O-N 2.92Å; Y590-Y592 PolarHBondContact O-N 2.71Å; Y592-K594 VanDerWaalsContact C-N 3.35Å; Y592-K594 PolarHBondContact O-N 3.39Å; Y592-E595 PolarHBondContact O-N 3.5Å; Y592-M596 WeakPolarHBondContact O-CB 3.42Å; Y592-M596 PolarHBondContact O-N 3.05Å
593	F	92.9	Very high	83.7	Confident	4 Å²	4	62 Å²	62	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-71.4	-29.6	-178.3	-73.3	-72.9	0	0	0	113.1	R570 L571 V585 C589 Y590 M596 Q597 L738 L757 I773	R570-F593 HydrophobicContact CB-CE2 3.93Å; R570-F593 HydrophobicContact CB-CZ 4.26Å; L571-F593 HydrophobicContact CD1-CD1 4.4Å; L571-F593 HydrophobicContact CD1-CE1 3.83Å; L571-F593 HydrophobicContact CD1-CZ 4.02Å; L571-F593 HydrophobicContact CD2-CD1 4.13Å; L571-F593 HydrophobicContact CD2-CD2 3.87Å; L571-F593 HydrophobicContact CD2-CE1 4.05Å; L571-F593 HydrophobicContact CD2-CE2 3.76Å; L571-F593 HydrophobicContact CD2-CG 4.06Å; L571-F593 HydrophobicContact CD2-CZ 3.86Å; L571-F593 HydrophobicContact CG-CE1 4.17Å; L571-F593 HydrophobicContact CG-CE2 4.2Å; L571-F593 HydrophobicContact CG-CZ 3.89Å; V585-F593 HydrophobicContact CG1-CD2 3.52Å; V585-F593 HydrophobicContact CG1-CE2 4.15Å; V585-F593 HydrophobicContact CG1-CG 4.33Å; C589-F593 HydrophobicContact CB-CD2 3.93Å; C589-F593 HydrophobicContact CB-CE2 3.87Å; C589-F593 WeakPolarHBondContact O-CD2 3.49Å; C589-F593 PolarHBondContact O-N 3.1Å; Y590-F593 PolarHBondContact O-N 2.83Å; F593-M596 HydrophobicContact CD1-CE 3.57Å; F593-M596 HydrophobicContact CD1-SD 4.22Å; F593-M596 HydrophobicContact CE1-CE 4.26Å; F593-Q597 WeakPolarHBondContact O-CG 3.39Å; F593-Q597 PolarHBondContact O-N 2.75Å; F593-L738 HydrophobicContact CB-CD2 3.73Å; F593-L757 HydrophobicContact CE1-CD1 4.31Å; F593-I773 HydrophobicContact CD1-CG1 4.37Å
594	K	90.2	Very high	81.1	Confident	45 Å²	45	67.8 Å²	67.8	20%	0.196	35%	0.348	C	S	.	.	H	α-helix	trans	-68.5	-39.5	174.5	-167.4	70.4	175.3	-165.6	0	111.7	Y590 R591 Y592 Q597 R598 L738	Y590-K594 HydrophobicContact CE1-CB 4.28Å; Y590-K594 HydrophobicContact CE1-CD 4.44Å; Y590-K594 HydrophobicContact CE1-CG 4.36Å; Y590-K594 VanDerWaalsContact O-CB 3.31Å; Y590-K594 WeakPolarHBondContact O-CB 3.36Å; Y590-K594 PolarHBondContact O-N 2.87Å; R591-K594 PolarHBondContact O-N 2.99Å; Y592-K594 VanDerWaalsContact C-N 3.35Å; Y592-K594 PolarHBondContact O-N 3.39Å; K594-Q597 PolarHBondContact O-N 2.73Å; K594-R598 PolarHBondContact O-N 2.72Å; K594-L738 HydrophobicContact CB-CD1 4.48Å; K594-L738 HydrophobicContact CD-CD1 4.08Å
595	E	90.4	Very high	78.2	Confident	102 Å²	102	73.2 Å²	73.2	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-69.4	-40.5	176.9	-168.2	54.5	-142.2	0	0	111.8	R591 Y592 Q597 R598 S599	R591-E595 WeakPolarHBondContact O-CB 3Å; R591-E595 PolarHBondContact O-N 2.96Å; Y592-E595 PolarHBondContact O-N 3.5Å; E595-Q597 PolarHBondContact O-N 3.11Å; E595-Q597 VanDerWaalsContact O-N 3.16Å; E595-R598 WeakPolarHBondContact O-CA 3.16Å; E595-R598 WeakPolarHBondContact O-CB 3.25Å; E595-R598 PolarHBondContact O-N 3.47Å; E595-R598 WeakPolarHBondContact OE2-CD 3.17Å; E595-R598 IonicContact OE2-NH1 3.71Å; E595-R598 PolarHBondContact OE2-NH1 2.87Å; E595-S599 PolarHBondContact O-N 3.45Å
596	M	87.9	Confident	75.7	Confident	31 Å²	31	78 Å²	78	15%	0.153	42%	0.42	C	S	.	.	H	α-helix	trans	-58.9	-26.4	173	-177.6	-166.5	69.4	0	0	113.3	Y592 F593 S599 S600 I773	Y592-M596 WeakPolarHBondContact O-CB 3.42Å; Y592-M596 PolarHBondContact O-N 3.05Å; F593-M596 HydrophobicContact CD1-CE 3.57Å; F593-M596 HydrophobicContact CD1-SD 4.22Å; F593-M596 HydrophobicContact CE1-CE 4.26Å; M596-S599 PolarHBondContact O-OG 2.68Å; M596-S600 PolarHBondContact O-OG 3.04Å; M596-I773 HydrophobicContact CE-CB 4.11Å; M596-I773 HydrophobicContact CE-CG1 3.86Å; M596-I773 HydrophobicContact CE-CG2 3.37Å; M596-I773 HydrophobicContact SD-CG2 4.23Å
597	Q	86.6	Confident	72.7	Confident	16 Å²	16	83.5 Å²	83.5	8%	0.075	46%	0.459	C	S	.	.	H	α-helix	trans	-81.7	-18.8	172.9	-73.3	-179.8	-15.7	0	0	113.6	F593 K594 E595 S600 I773	F593-Q597 WeakPolarHBondContact O-CG 3.39Å; F593-Q597 PolarHBondContact O-N 2.75Å; K594-Q597 PolarHBondContact O-N 2.73Å; E595-Q597 PolarHBondContact O-N 3.11Å; E595-Q597 VanDerWaalsContact O-N 3.16Å; Q597-S600 PolarHBondContact O-OG 2.96Å; Q597-S600 VanDerWaalsContact O-OG 3.06Å; Q597-I773 PolarHBondContact NE2-O 3.06Å
598	R	84.5	Confident	69.9	Low	138 Å²	138	85.9 Å²	85.9	52%	0.521	48%	0.482	S	S	.	.	H	α-helix	trans	-85.2	-37.8	175.9	-70.9	173.4	172.1	173.6	-7.1	111.4	K594 E595 S600 T601	K594-R598 PolarHBondContact O-N 2.72Å; E595-R598 WeakPolarHBondContact O-CA 3.16Å; E595-R598 WeakPolarHBondContact O-CB 3.25Å; E595-R598 PolarHBondContact O-N 3.47Å; E595-R598 WeakPolarHBondContact OE2-CD 3.17Å; E595-R598 IonicContact OE2-NH1 3.71Å; E595-R598 PolarHBondContact OE2-NH1 2.87Å; R598-S600 PolarHBondContact O-N 2.8Å; R598-T601 PolarHBondContact O-N 3.01Å; R598-T601 PolarHBondContact O-OG1 3.44Å
599	S	77.3	Confident	67.2	Low	94 Å²	94	90.5 Å²	90.5	66%	0.657	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.4	177.7	63.2	0	0	0	0	113.6	E595 M596	E595-S599 PolarHBondContact O-N 3.45Å; M596-S599 PolarHBondContact O-OG 2.68Å
600	S	67.3	Low	64.3	Low	45 Å²	45	101.2 Å²	101.2	32%	0.315	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-15.6	176.7	58.5	0	0	0	0	114	M596 Q597 R598 S774	M596-S600 PolarHBondContact O-OG 3.04Å; Q597-S600 PolarHBondContact O-OG 2.96Å; Q597-S600 VanDerWaalsContact O-OG 3.06Å; R598-S600 PolarHBondContact O-N 2.8Å; S600-S774 WeakPolarHBondContact CB-O 3.33Å; S600-S774 PolarHBondContact OG-O 3.13Å
601	T	59.1	Low	61.3	Low	87 Å²	87	103.6 Å²	103.6	53%	0.534	57%	0.574	S	S	.	*	S	Bend	trans	-88.6	127.3	174.5	51.3	0	0	0	0	109.4	R598	R598-T601 PolarHBondContact O-N 3.01Å; R598-T601 PolarHBondContact O-OG1 3.44Å
602	P	48	Very low	58.3	Low	111 Å²	111	103.5 Å²	103.5	72%	0.721	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-57.9	142.9	173.4	23.2	-30.6	0	0	0	109.6
603	P	42.6	Very low	55.2	Low	113 Å²	113	102.4 Å²	102.4	73%	0.734	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-55.4	139.3	175.8	23	-31.7	0	0	0	108.9	S605	P603-S605 PolarHBondContact O-N 3.02Å; P603-S605 VanDerWaalsContact O-N 3.1Å
604	P	42.3	Very low	52.1	Low	122 Å²	122	107.7 Å²	107.7	79%	0.792	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-55.5	125	175.6	23.5	-31.7	0	0	0	107.5	S606	P604-S606 VanDerWaalsContact C-N 3.34Å; P604-S606 PolarHBondContact O-N 3.23Å
605	S	38	Very low	49	Very low	116 Å²	116	108.6 Å²	108.6	81%	0.811	66%	0.661	S	S	*	*			trans	-54.9	97.7	177.1	52.2	0	0	0	0	108.9	P603 S607	P603-S605 PolarHBondContact O-N 3.02Å; P603-S605 VanDerWaalsContact O-N 3.1Å; S605-S607 VanDerWaalsContact C-N 3.31Å; S605-S607 PolarHBondContact O-N 3.06Å
606	S	41.6	Very low	45.9	Very low	106 Å²	106	113.6 Å²	113.6	74%	0.741	68%	0.682	S	S	*	*			trans	-66.5	98.8	166.5	54.1	0	0	0	0	106.4	P604 T608	P604-S606 VanDerWaalsContact C-N 3.34Å; P604-S606 PolarHBondContact O-N 3.23Å; S606-T608 VanDerWaalsContact C-N 3.34Å; S606-T608 PolarHBondContact O-N 3.22Å
607	S	31.8	Very low	42.6	Very low	118 Å²	118	120.2 Å²	120.2	83%	0.825	71%	0.714	S	S	*	*			trans	-60	97.9	164.1	56.3	0	0	0	0	107.9	S605	S605-S607 VanDerWaalsContact C-N 3.31Å; S605-S607 PolarHBondContact O-N 3.06Å
608	T	32.8	Very low	39.8	Very low	127 Å²	127	125.1 Å²	125.1	78%	0.779	75%	0.748	S	S	*	*			trans	-131.2	125.8	160.3	-45.7	0	0	0	0	109.2	S606	S606-T608 VanDerWaalsContact C-N 3.34Å; S606-T608 PolarHBondContact O-N 3.22Å
609	K	31.6	Very low	36.9	Very low	199 Å²	199	125.1 Å²	125.1	87%	0.865	76%	0.758	S	S	*	*			trans	-47.3	143.2	-172.5	-70.7	168.2	171.8	176.4	0	113.7
610	Y	30.4	Very low	34.4	Very low	241 Å²	241	128.1 Å²	128.1	95%	0.945	77%	0.766	S	S	*	*			trans	-26.9	132.8	150.2	-76.7	-97.7	0	0	0	113.8
611	G	29.2	Very low	32.1	Very low	77 Å²	77	135 Å²	135	79%	0.794	79%	0.791	S	S	*	*			trans	163.1	84.6	164	0	0	0	0	0	116.7
612	S	28.6	Very low	30.3	Very low	129 Å²	129	139 Å²	139	90%	0.902	80%	0.803	S	S	*	*			trans	94.6	130.1	144.8	-136.8	0	0	0	0	120.9
613	V	26.2	Very low	29.1	Very low	129 Å²	129	139.3 Å²	139.3	78%	0.782	80%	0.804	S	S	*	*			trans	-85.9	142.1	-174.5	174.2	0	0	0	0	110.1
614	S	27.1	Very low	28.1	Very low	116 Å²	116	138.7 Å²	138.7	81%	0.811	80%	0.802	S	S	*	*			trans	138.9	125.8	132.1	63.3	0	0	0	0	113.6
615	G	24.9	Very low	27.2	Very low	63 Å²	63	139.6 Å²	139.6	65%	0.649	80%	0.8	S	S	*	*				85.6	114.9	127.2	0	0	0	0	0	118.9
616	F	25.3	Very low	26.6	Very low	207 Å²	207	140.8 Å²	140.8	91%	0.908	80%	0.797	S	S	*	*			trans	88.2	103.7	149.7	-67.5	-85	0	0	0	119.4
617	M	20.4	Very low	25.8	Very low	171 Å²	171	142.1 Å²	142.1	84%	0.842	80%	0.801	S	S	*	*			trans	-50.5	139.3	139	-65.8	-97	131.9	0	0	109.5
618	P	27.2	Very low	25.4	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	80%	0.796	S	S	*	*				-143.4	165.8	92.4	34.9	-17.7	0	0	0	115.4
619	N	22.7	Very low	25.1	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	79%	0.791	S	S	*	*			trans	-45.8	138.7	169.8	-61.2	-33.1	0	0	0	113.1
620	D	24.6	Very low	24.7	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	79%	0.787	S	S	*	*				179.8	146.9	103.3	-91.1	-29.5	0	0	0	112.3
621	F	20.3	Very low	24.7	Very low	191 Å²	191	130.3 Å²	130.3	84%	0.838	77%	0.77	S	S	*	*			trans	-47.8	128.2	171.2	-92.2	-120.5	0	0	0	112.5
622	H	21.6	Very low	24.6	Very low	170 Å²	170	132.9 Å²	132.9	79%	0.787	77%	0.77	S	S	*	*				-179.7	125.1	119.4	-101.4	-73.2	0	0	0	111.9
623	T	21.8	Very low	24.7	Very low	118 Å²	118	132.8 Å²	132.8	72%	0.724	76%	0.759	S	S	*	*			trans	36.8	125.3	141.4	9.1	0	0	0	0	121.7
624	S	22.2	Very low	25.2	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	74%	0.742	S	S	*	*			trans	87.3	107.3	152.6	75.9	0	0	0	0	118.8
625	N	23.8	Very low	25.9	Very low	142 Å²	142	133.7 Å²	133.7	76%	0.759	74%	0.744	S	S	*	*				179.4	127.3	98.8	-91.7	-30.8	0	0	0	113.2	T627	N625-T627 PolarHBondContact O-N 2.76Å
626	N	23.9	Very low	26.9	Very low	141 Å²	141	134 Å²	134	75%	0.754	73%	0.729	S	S	*	*			trans	13.9	98.9	147.4	-67.1	-25	0	0	0	118.3
627	T	25.3	Very low	27.7	Very low	134 Å²	134	124.9 Å²	124.9	82%	0.822	69%	0.689	S	S	*	*			trans	-113.4	90.4	140.2	24.5	0	0	0	0	107.7	N625 S629	N625-T627 PolarHBondContact O-N 2.76Å; T627-S629 PolarHBondContact O-N 2.81Å
628	T	23.8	Very low	28.8	Very low	117 Å²	117	126 Å²	126	72%	0.718	68%	0.684	S	S	*	*			trans	-67.7	79.6	168.2	-37.5	0	0	0	0	107.7	T630	T628-T630 PolarHBondContact O-N 2.83Å; T628-T630 VanDerWaalsContact O-N 3.16Å
629	S	25.6	Very low	29.6	Very low	96 Å²	96	125.7 Å²	125.7	67%	0.671	67%	0.671	S	S	*	*			trans	-64	112	159.3	38.7	0	0	0	0	106	T627 V631	T627-S629 PolarHBondContact O-N 2.81Å; S629-V631 PolarHBondContact O-N 2.79Å
630	T	23.2	Very low	30.4	Very low	126 Å²	126	121.7 Å²	121.7	77%	0.773	65%	0.65	S	S	*	*			trans	-65.2	80.5	171.4	41.4	0	0	0	0	108.2	T628 T632	T628-T630 PolarHBondContact O-N 2.83Å; T628-T630 VanDerWaalsContact O-N 3.16Å; T630-T632 PolarHBondContact O-N 3.27Å
631	V	30.8	Very low	31	Very low	97 Å²	97	117.1 Å²	117.1	59%	0.588	63%	0.63	S	S	*	*			trans	-62.3	108	163.9	178.5	0	0	0	0	105.4	S629 L633	S629-V631 PolarHBondContact O-N 2.79Å; V631-L633 HydrophobicContact CG1-CD2 4.37Å; V631-L633 PolarHBondContact O-N 3.25Å
632	T	27.3	Very low	31.7	Very low	131 Å²	131	114.6 Å²	114.6	80%	0.804	63%	0.625	S	S	*	*			trans	-59.1	93.1	165.3	43.9	0	0	0	0	107.3	T630 D634	T630-T632 PolarHBondContact O-N 3.27Å; T632-D634 PolarHBondContact O-N 3.28Å
633	L	31.1	Very low	32.5	Very low	128 Å²	128	111.5 Å²	111.5	67%	0.67	62%	0.622	S	S	*	*			trans	-67.4	112.6	171.8	-71.7	168.3	0	0	0	106.5	V631 E635	V631-L633 HydrophobicContact CG1-CD2 4.37Å; V631-L633 PolarHBondContact O-N 3.25Å; L633-E635 PolarHBondContact O-N 2.74Å; L633-E635 VanDerWaalsContact O-N 3.15Å
634	D	37.2	Very low	33	Very low	81 Å²	81	112.9 Å²	112.9	43%	0.433	62%	0.624	S	S	.	*			trans	-42.4	123.2	167	-72.6	-38.2	0	0	0	108.5	T632 E636 N637	T632-D634 PolarHBondContact O-N 3.28Å; D634-E636 PolarHBondContact O-N 3.49Å; D634-N637 WeakPolarHBondContact O-CB 3.41Å; D634-N637 PolarHBondContact O-N 2.99Å
635	E	41.6	Very low	33.4	Very low	182 Å²	182	112.1 Å²	112.1	85%	0.85	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-52.8	-28.7	-172.2	-73.7	-172.3	136.3	0	0	113.5	L633 N637	L633-E635 PolarHBondContact O-N 2.74Å; L633-E635 VanDerWaalsContact O-N 3.15Å; E635-N637 VanDerWaalsContact C-N 3.32Å; E635-N637 PolarHBondContact O-N 2.81Å
636	E	44.9	Very low	33.7	Very low	69 Å²	69	110.2 Å²	110.2	32%	0.322	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-74.9	-15.7	177.7	-64.8	-172.1	-165.1	0	0	114	D634 R734 K736	D634-E636 PolarHBondContact O-N 3.49Å; E636-R734 IonicContact OE2-CZ 3.44Å; E636-R734 IonicContact OE2-NE 2.68Å; E636-R734 IonicContact OE2-NH2 3.54Å; E636-R734 PolarHBondContact OE2-NH2 3.06Å; E636-K736 IonicContact OE1-NZ 3.2Å; E636-K736 PolarHBondContact OE1-NZ 3.26Å
637	N	43.3	Very low	33.8	Very low	16 Å²	16	109.4 Å²	109.4	9%	0.086	62%	0.622	C	S	.	*	G	3₁₀ helix	trans	-82.9	-9.5	177.8	-101.3	-9	0	0	0	113.7	R591 D634 E635 F639 D640 S641	R591-N637 VanDerWaalsContact CZ-CG 3.46Å; R591-N637 VanDerWaalsContact CZ-OD1 3.27Å; R591-N637 PolarHBondContact NH1-ND2 3.17Å; R591-N637 VanDerWaalsContact NH1-ND2 3.13Å; R591-N637 PolarHBondContact NH2-ND2 3.46Å; R591-N637 PolarHBondContact NH2-OD1 3.45Å; D634-N637 WeakPolarHBondContact O-CB 3.41Å; D634-N637 PolarHBondContact O-N 2.99Å; E635-N637 VanDerWaalsContact C-N 3.32Å; E635-N637 PolarHBondContact O-N 2.81Å; N637-F639 PolarHBondContact O-N 2.85Å; N637-F639 VanDerWaalsContact O-N 3.13Å; N637-D640 PolarHBondContact O-N 3.05Å; N637-S641 PolarHBondContact O-OG 2.83Å
638	R	42.6	Very low	33.9	Very low	195 Å²	195	108.7 Å²	108.7	74%	0.736	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-60.9	-22.3	179.3	-146.9	177.7	-172.9	179.2	2.3	112.4	S641	R638-S641 PolarHBondContact O-OG 2.89Å
639	F	43.2	Very low	34.1	Very low	112 Å²	112	109.7 Å²	109.7	49%	0.491	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-93	-18.2	-177.5	-66.9	-76	0	0	0	115	N637 L725	N637-F639 PolarHBondContact O-N 2.85Å; N637-F639 VanDerWaalsContact O-N 3.13Å; F639-L725 HydrophobicContact CD1-CD2 3.66Å; F639-L725 HydrophobicContact CE1-CD2 3.8Å; F639-L725 HydrophobicContact CG-CD2 4.38Å
640	D	40.8	Very low	34.2	Very low	54 Å²	54	110 Å²	110	29%	0.289	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-27.2	176.9	-80.3	-27.6	0	0	0	112.5	R587 N637	R587-D640 IonicContact CZ-OD1 3.38Å; R587-D640 IonicContact NH2-OD1 3.7Å; R587-D640 PolarHBondContact NH2-OD1 3.17Å; R587-D640 IonicContact NH2-OD2 3.03Å; N637-D640 PolarHBondContact O-N 3.05Å
641	S	37.5	Very low	34.2	Very low	61 Å²	61	110.1 Å²	110.1	43%	0.427	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-77.7	-19.3	-176.9	44.3	0	0	0	0	114.6	N637 R638 S643 L644	N637-S641 PolarHBondContact O-OG 2.83Å; R638-S641 PolarHBondContact O-OG 2.89Å; S641-S643 PolarHBondContact O-N 3.37Å; S641-L644 PolarHBondContact O-N 3.41Å
642	L	35.1	Very low	34.1	Very low	138 Å²	138	111 Å²	111	72%	0.723	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-74.7	-2.8	179.3	-65.7	176	0	0	0	114.1
643	S	38.1	Very low	34.1	Very low	104 Å²	104	108.5 Å²	108.5	73%	0.727	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-89.9	-7	172.5	-177.3	0	0	0	0	113.8	S641	S641-S643 PolarHBondContact O-N 3.37Å
644	L	31.2	Very low	33.6	Very low	148 Å²	148	111.7 Å²	111.7	78%	0.775	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-9.8	-175.8	-79.3	159.8	0	0	0	113.9	S641 S646	S641-L644 PolarHBondContact O-N 3.41Å; L644-S646 PolarHBondContact O-N 3.15Å
645	A	30.2	Very low	33	Very low	82 Å²	82	114 Å²	114	68%	0.678	66%	0.657	S	S	*	*	S	Bend	trans	-81.5	88.4	172.3	0	0	0	0	0	109.4	T647	A645-T647 PolarHBondContact O-N 2.79Å
646	S	30.5	Very low	32.1	Very low	102 Å²	102	112.4 Å²	112.4	71%	0.713	65%	0.654	S	S	*	*			trans	-49.6	121.3	170.2	-59.4	0	0	0	0	111.2	L644 T648	L644-S646 PolarHBondContact O-N 3.15Å; S646-T648 PolarHBondContact O-N 3.49Å
647	T	27	Very low	31.2	Very low	124 Å²	124	115.4 Å²	115.4	76%	0.761	68%	0.677	S	S	*	*			trans	-52.7	100.6	152.2	19.3	0	0	0	0	109.1	A645 I649	A645-T647 PolarHBondContact O-N 2.79Å; T647-I649 HydrophobicContact CG2-CG1 4.44Å; T647-I649 PolarHBondContact O-N 3.3Å
648	T	27.7	Very low	30.3	Very low	120 Å²	120	119.2 Å²	119.2	74%	0.736	70%	0.704	S	S	*	*			trans	-79.8	90.6	154.3	50.2	0	0	0	0	107.1	S646 S650	S646-T648 PolarHBondContact O-N 3.49Å; T648-S650 VanDerWaalsContact C-N 3.28Å; T648-S650 PolarHBondContact O-N 3.22Å
649	I	27.6	Very low	29.3	Very low	137 Å²	137	119 Å²	119	70%	0.703	71%	0.712	S	S	*	*			trans	-80.7	89.2	162.4	-60.3	173	0	0	0	105.1	T647 T651	T647-I649 HydrophobicContact CG2-CG1 4.44Å; T647-I649 PolarHBondContact O-N 3.3Å; I649-T651 HydrophobicContact CG2-CG2 4.29Å; I649-T651 PolarHBondContact O-N 2.83Å
650	S	28	Very low	28.4	Very low	102 Å²	102	117.3 Å²	117.3	71%	0.713	72%	0.719	S	S	*	*			trans	-80.7	106	167.4	-57.9	0	0	0	0	107.4	T648	T648-S650 VanDerWaalsContact C-N 3.28Å; T648-S650 PolarHBondContact O-N 3.22Å
651	T	23.3	Very low	27.6	Very low	129 Å²	129	122.9 Å²	122.9	79%	0.791	75%	0.748	S	S	*	*			trans	-76.3	111.3	167.3	49.9	0	0	0	0	108.7	I649	I649-T651 HydrophobicContact CG2-CG2 4.29Å; I649-T651 PolarHBondContact O-N 2.83Å
652	S	28.4	Very low	27	Very low	116 Å²	116	123.4 Å²	123.4	81%	0.811	76%	0.764	S	S	*	*			trans	-136.9	116.8	158.6	50.7	0	0	0	0	109.3
653	G	25.9	Very low	26.4	Very low	79 Å²	79	121.3 Å²	121.3	81%	0.814	77%	0.766	S	S	*	*			trans	-77.7	160.9	-175.6	0	0	0	0	0	113.2
654	K	21	Very low	25.8	Very low	195 Å²	195	122 Å²	122	85%	0.848	77%	0.771	S	S	*	*			trans	-48.5	140.6	161.7	-76.4	170.3	161.9	174.7	0	112.9
655	T	25.5	Very low	25.5	Very low	130 Å²	130	119.7 Å²	119.7	80%	0.798	77%	0.767	S	S	*	*				-177.8	104.7	128.7	41.4	0	0	0	0	105.2
656	D	21.4	Very low	25.1	Very low	147 Å²	147	120.9 Å²	120.9	79%	0.786	77%	0.771	S	S	*	*				59.9	136.5	86.1	-76	-25.9	0	0	0	115.2
657	V	26.6	Very low	24.9	Very low	133 Å²	133	121.2 Å²	121.2	81%	0.806	77%	0.773	S	S	*	*			trans	78.8	98.8	163.2	-89.7	0	0	0	0	122.1
658	S	24.1	Very low	24.8	Very low	95 Å²	95	120.4 Å²	120.4	66%	0.664	77%	0.772	S	S	*	*				58.5	141.8	114.9	62.5	0	0	0	0	124.1
659	E	22.3	Very low	24.5	Very low	190 Å²	190	119.3 Å²	119.3	89%	0.888	78%	0.775	S	S	*	*			trans	73.2	145.1	162.8	-66.7	174.8	168.1	0	0	116.5
660	A	24.2	Very low	24.5	Very low	78 Å²	78	117.7 Å²	117.7	65%	0.645	77%	0.774	S	S	*	*			cis	-171.7	157.4	-17.5	0	0	0	0	0	105.8
661	D	23.4	Very low	24.2	Very low	170 Å²	170	116.4 Å²	116.4	91%	0.909	78%	0.776	S	S	*	*			trans	67.8	132.7	156	-60.4	-26.2	0	0	0	123.7
662	G	24.7	Very low	24.3	Very low	73 Å²	73	120.5 Å²	120.5	75%	0.753	78%	0.779	S	S	*	*			trans	120.7	77.9	160.2	0	0	0	0	0	114.3
663	A	23.1	Very low	23.9	Very low	93 Å²	93	120.1 Å²	120.1	77%	0.769	78%	0.776	S	S	*	*				86.7	131.8	85.2	0	0	0	0	0	116
664	S	25.9	Very low	23.8	Very low	119 Å²	119	122 Å²	122	83%	0.832	77%	0.772	S	S	*	*			trans	75.2	143.9	165.1	76.9	0	0	0	0	117.6
665	S	24.2	Very low	24	Very low	99 Å²	99	118.7 Å²	118.7	69%	0.692	77%	0.768	S	S	*	*			cis	-178.3	138.8	-31.7	41.4	0	0	0	0	105.6
666	S	22.9	Very low	23.7	Very low	108 Å²	108	121.1 Å²	121.1	76%	0.755	78%	0.775	S	S	*	*			trans	55.9	110.4	151.4	62.8	0	0	0	0	120.5
667	S	26.7	Very low	23.8	Very low	109 Å²	109	118.6 Å²	118.6	76%	0.762	77%	0.769	S	S	*	*				159	94.4	121.6	50.8	0	0	0	0	108.5
668	S	23	Very low	23.5	Very low	106 Å²	106	120.4 Å²	120.4	74%	0.741	77%	0.773	S	S	*	*				65.3	100.7	107.9	65.1	0	0	0	0	114.8
669	A	22.5	Very low	23.5	Very low	97 Å²	97	122.2 Å²	122.2	80%	0.802	78%	0.781	S	S	*	*				43	154.3	119.1	0	0	0	0	0	120
670	P	28.2	Very low	23.6	Very low	104 Å²	104	120 Å²	120	68%	0.675	78%	0.775	S	S	*	*			cis	-132.6	152	13.3	32.5	-12.2	0	0	0	115.4	Y672	P670-Y672 HydrophobicContact CB-CD2 4.43Å; P670-Y672 HydrophobicContact CB-CE2 4.44Å
671	G	21.1	Very low	23.7	Very low	74 Å²	74	124 Å²	124	76%	0.763	79%	0.785	S	S	*	*			trans	-76.4	139.5	153.2	0	0	0	0	0	110.2
672	Y	25.1	Very low	23.5	Very low	216 Å²	216	125.3 Å²	125.3	85%	0.847	78%	0.783	S	S	*	*			trans	-127.3	102.5	153.9	-91.4	-81.3	0	0	0	108.5	P670	P670-Y672 HydrophobicContact CB-CD2 4.43Å; P670-Y672 HydrophobicContact CB-CE2 4.44Å
673	S	19.8	Very low	23.7	Very low	107 Å²	107	127 Å²	127	75%	0.748	78%	0.781	S	S	*	*			trans	-91.5	126.6	155.5	60.6	0	0	0	0	108.3
674	T	23.9	Very low	23.6	Very low	118 Å²	118	127.6 Å²	127.6	72%	0.724	78%	0.78	S	S	*	*			trans	-167.9	100.1	152.5	22.5	0	0	0	0	104.7
675	V	25.4	Very low	23.7	Very low	127 Å²	127	127.1 Å²	127.1	77%	0.77	77%	0.773	S	S	*	*				47.1	91.7	80.7	-167.9	0	0	0	0	110.9
676	L	20	Very low	23.6	Very low	180 Å²	180	130.2 Å²	130.2	94%	0.942	78%	0.781	S	S	*	*			trans	-83.9	107.6	159.8	-74.7	166	0	0	0	107.5
677	S	22.6	Very low	23.6	Very low	94 Å²	94	130.9 Å²	130.9	66%	0.657	79%	0.786	S	S	*	*			trans	-114.1	124.6	157.8	59.4	0	0	0	0	108.1
678	L	21	Very low	23.4	Very low	172 Å²	172	130.9 Å²	130.9	90%	0.901	79%	0.786	S	S	*	*			trans	-60.4	133.9	167.6	-68	115.5	0	0	0	110.2
679	T	24.1	Very low	23.2	Very low	133 Å²	133	132.2 Å²	132.2	82%	0.816	79%	0.794	S	S	*	*			trans	-145.7	120.2	155.2	48.8	0	0	0	0	109.9
680	D	24.5	Very low	23.2	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	79%	0.789	S	S	*	*			trans	-68.2	159.7	160.3	-72.6	-54.8	0	0	0	111.7
681	D	24.6	Very low	23	Very low	162 Å²	162	131.8 Å²	131.8	87%	0.866	80%	0.798	S	S	*	*			trans	79.5	107.9	158.3	-63.9	-29.9	0	0	0	121.7
682	F	20.9	Very low	23.1	Very low	197 Å²	197	136.3 Å²	136.3	86%	0.864	81%	0.805	S	S	*	*			trans	-61.2	171.8	153.2	-85.9	-100.2	0	0	0	112.8
683	P	29.1	Very low	22.9	Very low	108 Å²	108	134.7 Å²	134.7	70%	0.701	80%	0.802	S	S	*	*			cis	-128.4	166.8	-15	23.3	-0.2	0	0	0	115
684	S	21	Very low	22.9	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	80%	0.804	S	S	*	*			trans	-30.3	164.4	154.9	25.8	0	0	0	0	117.1
685	P	26.1	Very low	22.9	Very low	108 Å²	108	136.5 Å²	136.5	70%	0.701	81%	0.809	S	S	*	*			cis	-146.5	165.5	34.4	27.3	-1.1	0	0	0	119.1
686	L	22.1	Very low	22.7	Very low	164 Å²	164	140.8 Å²	140.8	86%	0.859	81%	0.811	S	S	*	*			trans	45.6	116.6	147.4	-77.7	89.4	0	0	0	119.7
687	S	24.8	Very low	23	Very low	123 Å²	123	138.1 Å²	138.1	86%	0.86	80%	0.804	S	S	*	*				178.7	143.8	101.9	48.2	0	0	0	0	111.8
688	S	21.2	Very low	22.9	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	81%	0.809	S	S	*	*			trans	-80.4	168	-177.7	47.1	0	0	0	0	112.4
689	C	19.8	Very low	23.1	Very low	135 Å²	135	139.1 Å²	139.1	91%	0.912	80%	0.804	S	S	*	*			trans	87.7	132.3	160.6	92.7	0	0	0	0	117.5
690	G	22.1	Very low	23.2	Very low	68 Å²	68	138.1 Å²	138.1	70%	0.701	80%	0.802	S	S	*	*			trans	152.8	59.6	168.7	0	0	0	0	0	115.1	N692	G690-N692 PolarHBondContact O-N 3.05Å
691	S	22.9	Very low	23.3	Very low	124 Å²	124	134.4 Å²	134.4	87%	0.867	80%	0.798	S	S	*	*			trans	-56.7	115.5	171.2	-55.2	0	0	0	0	111.5
692	N	23.4	Very low	23.2	Very low	169 Å²	169	134.9 Å²	134.9	90%	0.904	80%	0.799	S	S	*	*			trans	-74.8	121.6	173.3	-97.6	-23.3	0	0	0	111	G690	G690-N692 PolarHBondContact O-N 3.05Å
693	K	20.8	Very low	23.4	Very low	181 Å²	181	132.4 Å²	132.4	79%	0.787	80%	0.8	S	S	*	*			trans	-122.9	137.3	161.9	-83.9	-173.4	177.9	177.3	0	109.3
694	N	20.5	Very low	23.2	Very low	147 Å²	147	131.9 Å²	131.9	79%	0.786	81%	0.805	S	S	*	*			trans	70.2	121.8	158.9	-56	-14.7	0	0	0	114.2
695	S	24.1	Very low	23.3	Very low	117 Å²	117	131.5 Å²	131.5	82%	0.818	81%	0.808	S	S	*	*				174.7	151.8	56.4	41.4	0	0	0	0	109.9
696	R	20.3	Very low	23.3	Very low	217 Å²	217	132.4 Å²	132.4	82%	0.819	81%	0.814	S	S	*	*			trans	-89	139.9	-178.8	172.1	-173.4	-174.3	-172.7	4.6	110.1
697	P	27.1	Very low	23.4	Very low	123 Å²	123	127.5 Å²	127.5	80%	0.799	80%	0.803	S	S	*	*			trans	-95.1	143.2	149.8	28.6	-17.5	0	0	0	110.8
698	K	20.3	Very low	23.7	Very low	174 Å²	174	128.3 Å²	128.3	76%	0.757	81%	0.805	S	S	*	*			trans	-85.9	175.8	177.9	-70	173.4	173.1	175.8	0	110.8
699	S	25.5	Very low	23.9	Very low	113 Å²	113	128.3 Å²	128.3	79%	0.79	81%	0.806	S	S	*	*			trans	97.8	143.2	156.4	83.2	0	0	0	0	114.9
700	S	26.1	Very low	24.5	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	80%	0.8	S	S	*	*			cis	173	146.3	-20.1	44.3	0	0	0	0	106.5
701	G	26.1	Very low	24.9	Very low	67 Å²	67	130.6 Å²	130.6	69%	0.691	80%	0.804	S	S	*	*			trans	90.5	104.3	165.7	0	0	0	0	0	114
702	I	22.2	Very low	25	Very low	171 Å²	171	130.5 Å²	130.5	88%	0.877	80%	0.798	S	S	*	*				53.9	97.5	72.6	-44.6	171.3	0	0	0	112.5
703	T	26.6	Very low	25.3	Very low	146 Å²	146	127.8 Å²	127.8	90%	0.896	79%	0.788	S	S	*	*			trans	-154.6	140.4	138.1	30.5	0	0	0	0	109.5
704	A	24.7	Very low	25.7	Very low	97 Å²	97	125.2 Å²	125.2	80%	0.802	79%	0.787	S	S	*	*			trans	-77.2	164.3	-171.2	0	0	0	0	0	113.6
705	A	22.9	Very low	26.1	Very low	97 Å²	97	123.6 Å²	123.6	80%	0.802	78%	0.783	S	S	*	*			trans	-35.7	150.2	179.3	0	0	0	0	0	117.2
706	P	26.7	Very low	26.5	Very low	127 Å²	127	123.7 Å²	123.7	83%	0.825	78%	0.778	S	S	*	*				-125.8	149.1	117.8	34.5	-25.8	0	0	0	112.2
707	G	23.9	Very low	27.1	Very low	62 Å²	62	117.7 Å²	117.7	64%	0.639	78%	0.775	S	S	*	*			trans	-62.2	159.1	-171	0	0	0	0	0	115.4	S709	G707-S709 PolarHBondContact O-N 3.07Å
708	P	29.9	Very low	27.5	Very low	139 Å²	139	118.8 Å²	118.8	90%	0.903	77%	0.774	S	S	*	*			trans	-79.1	110.6	-175.4	30.3	-31.9	0	0	0	111.4
709	S	25.9	Very low	28.3	Very low	109 Å²	109	117.1 Å²	117.1	76%	0.762	77%	0.773	S	S	*	*			trans	-78.2	152.6	158.7	44.9	0	0	0	0	110.7	G707	G707-S709 PolarHBondContact O-N 3.07Å
710	P	32.7	Very low	28.8	Very low	121 Å²	121	115.8 Å²	115.8	79%	0.786	76%	0.761	S	S	*	*			trans	-86.3	135	-140.9	32.4	-33.7	0	0	0	113	T712	P710-T712 PolarHBondContact O-N 3.31Å
711	V	30.2	Very low	29.3	Very low	130 Å²	130	112.9 Å²	112.9	79%	0.788	74%	0.744	S	S	*	*			trans	-71.4	110.9	168.1	177.6	0	0	0	0	108	T713	V711-T713 PolarHBondContact O-N 2.91Å; V711-T713 PolarHBondContact O-OG1 2.87Å
712	T	25.3	Very low	29.6	Very low	121 Å²	121	115.9 Å²	115.9	74%	0.742	74%	0.742	S	S	*	*			trans	-50.2	97.6	168.9	-45.1	0	0	0	0	109.1	P710 T714	P710-T712 PolarHBondContact O-N 3.31Å; T712-T714 PolarHBondContact O-N 3.47Å
713	T	29.9	Very low	30.4	Very low	113 Å²	113	111.1 Å²	111.1	69%	0.693	72%	0.723	S	S	*	*			trans	-77.8	104.8	170.2	-49.7	0	0	0	0	105.9	V711 T715	V711-T713 PolarHBondContact O-N 2.91Å; V711-T713 PolarHBondContact O-OG1 2.87Å; T713-T715 PolarHBondContact O-N 3.26Å; T713-T715 PolarHBondContact O-OG1 2.72Å
714	T	28	Very low	31.1	Very low	127 Å²	127	108.5 Å²	108.5	78%	0.779	70%	0.704	S	S	*	*			trans	-68.4	73.3	176.2	-40.7	0	0	0	0	109.6	T712 T716	T712-T714 PolarHBondContact O-N 3.47Å; T714-T716 VanDerWaalsContact C-N 3.34Å; T714-T716 PolarHBondContact O-N 2.83Å
715	T	30.3	Very low	32	Very low	112 Å²	112	106.9 Å²	106.9	69%	0.687	68%	0.682	S	S	*	*			trans	-88.3	67.9	174.2	-45.9	0	0	0	0	109.1	T713	T713-T715 PolarHBondContact O-N 3.26Å; T713-T715 PolarHBondContact O-OG1 2.72Å
716	T	31.9	Very low	32.8	Very low	119 Å²	119	107.5 Å²	107.5	73%	0.73	67%	0.668	S	S	*	*			trans	-164.4	80.2	166.9	-6.7	0	0	0	0	112.7	T714	T714-T716 VanDerWaalsContact C-N 3.34Å; T714-T716 PolarHBondContact O-N 2.83Å
717	A	33.6	Very low	33.7	Very low	91 Å²	91	110.1 Å²	110.1	75%	0.752	66%	0.661	S	S	*	*	S	Bend	trans	-153.7	7.2	163.3	0	0	0	0	0	116.1
718	L	34.6	Very low	34.8	Very low	146 Å²	146	112 Å²	112	76%	0.764	65%	0.653	S	S	*	*			trans	-98.3	8.2	-178.6	-74.7	173.5	0	0	0	115.3
719	L	37.6	Very low	35.9	Very low	140 Å²	140	113.8 Å²	113.8	73%	0.733	64%	0.642	S	S	*	*	H	α-helix	trans	-74.6	-24.1	-177.7	-75.4	163.3	0	0	0	116.2
720	P	36.4	Very low	38.1	Very low	85 Å²	85	117.2 Å²	117.2	55%	0.552	64%	0.638	S	S	*	*	H	α-helix	trans	-76.7	-26.8	175	-17.6	32.2	0	0	0	114.4	S723	P720-S723 PolarHBondContact O-OG 3.1Å
721	A	36.1	Very low	40.6	Very low	51 Å²	51	113.3 Å²	113.3	42%	0.421	61%	0.612	S	S	.	*	H	α-helix	trans	-72.3	-33.5	-175.2	0	0	0	0	0	113.2	L725	A721-L725 WeakPolarHBondContact O-CD1 3.34Å; A721-L725 VanDerWaalsContact O-CG 3.28Å; A721-L725 WeakPolarHBondContact O-CG 3.36Å; A721-L725 PolarHBondContact O-N 3.17Å
722	M	32.9	Very low	43.5	Very low	130 Å²	130	107.5 Å²	107.5	64%	0.64	58%	0.577	S	S	*	*	H	α-helix	trans	-74.3	-30.7	178.7	-68	-151	-176.9	0	0	113.1	H726	M722-H726 PolarHBondContact O-CD2 3.44Å; M722-H726 VanDerWaalsContact O-CD2 3.25Å; M722-H726 PolarHBondContact O-N 3.1Å; M722-H726 VanDerWaalsContact O-N 3.1Å
723	S	38.9	Very low	46.8	Very low	71 Å²	71	101.8 Å²	101.8	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-65.7	-38.9	175	36.4	0	0	0	0	112.4	P720 R727	P720-S723 PolarHBondContact O-OG 3.1Å; S723-R727 WeakPolarHBondContact O-CB 3.18Å; S723-R727 PolarHBondContact O-N 3.43Å; S723-R727 VanDerWaalsContact O-N 3.14Å
724	D	41.6	Very low	49.6	Very low	90 Å²	90	97.8 Å²	97.8	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-73.2	-38.6	177.9	-70.8	-31.3	0	0	0	111.8	H726 R727 E728	D724-H726 PolarHBondContact O-N 3.37Å; D724-R727 WeakPolarHBondContact O-CB 3.47Å; D724-R727 PolarHBondContact O-N 2.94Å; D724-R727 VanDerWaalsContact O-N 3.07Å; D724-E728 PolarHBondContact O-N 3.18Å
725	L	41.9	Very low	52.5	Low	64 Å²	64	94.7 Å²	94.7	34%	0.335	50%	0.497	S	S	.	.	H	α-helix	trans	-59.8	-41	173.6	-76.3	166.4	0	0	0	113	F639 A721 R727 R729	F639-L725 HydrophobicContact CD1-CD2 3.66Å; F639-L725 HydrophobicContact CE1-CD2 3.8Å; F639-L725 HydrophobicContact CG-CD2 4.38Å; A721-L725 WeakPolarHBondContact O-CD1 3.34Å; A721-L725 VanDerWaalsContact O-CG 3.28Å; A721-L725 WeakPolarHBondContact O-CG 3.36Å; A721-L725 PolarHBondContact O-N 3.17Å; L725-R727 VanDerWaalsContact C-N 3.33Å; L725-R729 PolarHBondContact O-N 3.18Å
726	H	40.8	Very low	55.5	Low	110 Å²	110	94.7 Å²	94.7	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-71.4	-28.2	174.8	-81.9	-62.9	0	0	0	112.9	M722 D724 R730	M722-H726 PolarHBondContact O-CD2 3.44Å; M722-H726 VanDerWaalsContact O-CD2 3.25Å; M722-H726 PolarHBondContact O-N 3.1Å; M722-H726 VanDerWaalsContact O-N 3.1Å; D724-H726 PolarHBondContact O-N 3.37Å; H726-R730 WeakPolarHBondContact O-CD 3.48Å; H726-R730 WeakPolarHBondContact O-CG 3.48Å
727	R	45.1	Very low	58.5	Low	182 Å²	182	89.9 Å²	89.9	69%	0.687	46%	0.459	S	S	*	.	H	α-helix	trans	-73.7	-42.8	176.9	-167.4	175.5	-179.7	-168.2	-1.1	111.5	S723 D724 L725 R729 R730	S723-R727 WeakPolarHBondContact O-CB 3.18Å; S723-R727 PolarHBondContact O-N 3.43Å; S723-R727 VanDerWaalsContact O-N 3.14Å; D724-R727 WeakPolarHBondContact O-CB 3.47Å; D724-R727 PolarHBondContact O-N 2.94Å; D724-R727 VanDerWaalsContact O-N 3.07Å; L725-R727 VanDerWaalsContact C-N 3.33Å; R727-R729 PolarHBondContact O-N 3.43Å; R727-R730 PolarHBondContact O-N 2.82Å
728	E	47	Very low	61.5	Low	100 Å²	100	86 Å²	86	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-67.1	-33.4	177	-75.4	-167.8	166.4	0	0	113.7	D724 R730 T731	D724-E728 PolarHBondContact O-N 3.18Å; E728-R730 PolarHBondContact O-N 3.06Å; E728-T731 PolarHBondContact O-N 3.05Å; E728-T731 PolarHBondContact O-OG1 2.81Å
729	R	53.4	Low	64.3	Low	178 Å²	178	79.3 Å²	79.3	67%	0.672	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.8	173.9	-77.6	-175.1	177.7	-161.3	0.2	113.8	L725 R727	L725-R729 PolarHBondContact O-N 3.18Å; R727-R729 PolarHBondContact O-N 3.43Å
730	R	71.4	Confident	67.2	Low	180 Å²	180	75 Å²	75	68%	0.679	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-5.7	-177.1	-71.2	174.8	177.7	173	1.7	113.9	H726 R727 E728	H726-R730 WeakPolarHBondContact O-CD 3.48Å; H726-R730 WeakPolarHBondContact O-CG 3.48Å; R727-R730 PolarHBondContact O-N 2.82Å; E728-R730 PolarHBondContact O-N 3.06Å
731	T	86.1	Confident	70.1	Confident	39 Å²	39	71.1 Å²	71.1	24%	0.239	34%	0.344	C	S	.	.			trans	-77.7	153.2	179.8	70.3	0	0	0	0	111.9	Q550 E728 F733	Q550-T731 HydrophobicContact CG-CG2 4.38Å; E728-T731 PolarHBondContact O-N 3.05Å; E728-T731 PolarHBondContact O-OG1 2.81Å; T731-F733 WeakPolarHBondContact CB-O 3.22Å; T731-F733 PolarHBondContact OG1-O 3Å
732	V	91	Very high	72.9	Confident	9 Å²	9	76.4 Å²	76.4	6%	0.055	35%	0.353	C	S	.	.	S	Bend	trans	-89.3	-47.3	-177	175.6	0	0	0	0	110.8	V549 L586 R587 I1043 V1123	V549-V732 HydrophobicContact CG2-CG2 3.79Å; L586-V732 HydrophobicContact CD2-CG1 3.55Å; R587-V732 PolarHBondContact N-O 2.91Å; V732-I1043 HydrophobicContact CB-CG2 4.28Å; V732-I1043 HydrophobicContact CG1-CB 4.38Å; V732-I1043 HydrophobicContact CG1-CD1 3.79Å; V732-I1043 HydrophobicContact CG1-CG1 3.84Å; V732-I1043 HydrophobicContact CG1-CG2 3.65Å; V732-I1043 HydrophobicContact CG2-CG2 3.62Å; V732-V1123 HydrophobicContact CB-CG1 4.33Å; V732-V1123 HydrophobicContact CG2-CG1 4.06Å
733	F	94.3	Very high	75.9	Confident	1 Å²	1	71.7 Å²	71.7	0%	0.004	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-101.7	165.6	172.5	-58.4	-83.9	0	0	0	109.9	Q550 M552 F565 L572 W584 V585 L586 T731 V1113 V1123	Q550-F733 PolarHBondContact NE2-O 3.03Å; Q550-F733 PolarHBondContact OE1-O 2.82Å; M552-F733 HydrophobicContact CE-CB 4.03Å; M552-F733 HydrophobicContact CE-CG 4.45Å; M552-F733 HydrophobicContact SD-CB 4.01Å; M552-F733 HydrophobicContact SD-CD2 4.1Å; M552-F733 HydrophobicContact SD-CG 4.34Å; F565-F733 AromaticContact CE1-CZ 3.91Å; F565-F733 HydrophobicContact CE1-CZ 3.91Å; F565-F733 HydrophobicContact CZ-CZ 4.16Å; L572-F733 HydrophobicContact CB-CE1 3.98Å; L572-F733 HydrophobicContact CB-CZ 4.09Å; L572-F733 HydrophobicContact CD2-CE2 4.42Å; L572-F733 HydrophobicContact CD2-CZ 4.11Å; W584-F733 HydrophobicContact CB-CD1 3.73Å; W584-F733 HydrophobicContact CB-CE1 4.19Å; W584-F733 HydrophobicContact CB-CG 4.31Å; V585-F733 WeakPolarHBondContact O-CD1 3.4Å; L586-F733 HydrophobicContact CD2-CD1 4.19Å; L586-F733 HydrophobicContact CD2-CE1 3.73Å; L586-F733 HydrophobicContact CD2-CZ 3.95Å; L586-F733 HydrophobicContact CG-CE1 4.5Å; T731-F733 WeakPolarHBondContact CB-O 3.22Å; T731-F733 PolarHBondContact OG1-O 3Å; F733-V1113 HydrophobicContact CE2-CG2 4.49Å; F733-V1123 HydrophobicContact CD2-CG2 3.94Å; F733-V1123 HydrophobicContact CE2-CG2 3.89Å
734	R	88.7	Confident	78.6	Confident	29 Å²	29	68.9 Å²	68.9	11%	0.109	32%	0.317	C	S	.	.			trans	-68.9	161.9	164.6	-66.7	-167.1	72.7	153.2	6	110.8	Y590 E636 K736	Y590-R734 VanDerWaalsContact CD2-CD 3.41Å; Y590-R734 HydrophobicContact CD2-CG 4.27Å; E636-R734 IonicContact OE2-CZ 3.44Å; E636-R734 IonicContact OE2-NE 2.68Å; E636-R734 IonicContact OE2-NH2 3.54Å; E636-R734 PolarHBondContact OE2-NH2 3.06Å; R734-K736 VanDerWaalsContact C-N 3.26Å; R734-K736 PolarHBondContact O-N 3.4Å
735	S	88.6	Confident	81.3	Confident	61 Å²	61	71.4 Å²	71.4	43%	0.427	33%	0.326	S	S	.	.	S	Bend	trans	-61	-36.3	173.3	48	0	0	0	0	112.1
736	K	93	Very high	83.9	Confident	112 Å²	112	68.9 Å²	68.9	49%	0.487	32%	0.315	S	S	.	.	S	Bend	trans	-105.2	149.4	179.4	-68.3	173.9	-177.7	145.1	0	112.6	E636 R734	E636-K736 IonicContact OE1-NZ 3.2Å; E636-K736 PolarHBondContact OE1-NZ 3.26Å; R734-K736 VanDerWaalsContact C-N 3.26Å; R734-K736 PolarHBondContact O-N 3.4Å
737	P	96.2	Very high	86.5	Confident	19 Å²	19	64.6 Å²	64.6	12%	0.123	30%	0.297	C	S	.	.			trans	-65.2	149.6	172.4	29.1	-35.2	0	0	0	111.1	E555 R582 I583 W584 V740	E555-P737 WeakPolarHBondContact OE2-CD 3.21Å; R582-P737 HydrophobicContact CB-CB 4.08Å; R582-P737 HydrophobicContact CG-CB 4.27Å; R582-P737 HydrophobicContact CG-CG 4.23Å; I583-P737 CarbonylContact O-C 3.59Å; W584-P737 HydrophobicContact CD2-CB 4.15Å; W584-P737 HydrophobicContact CE3-CB 3.85Å; W584-P737 HydrophobicContact CZ3-CB 4.09Å; W584-P737 HydrophobicContact CZ3-CG 4.38Å; P737-V740 HydrophobicContact CG-CG2 3.82Å
738	L	94.8	Very high	89.1	Confident	10 Å²	10	56 Å²	56	5%	0.052	26%	0.264	C	S	.	.	S	Bend	trans	-66.1	-42.1	170.6	172.6	76.1	0	0	0	110.9	I583 V585 Y590 F593 K594 I773	I583-L738 PolarHBondContact O-N 3.17Å; V585-L738 HydrophobicContact CB-CB 4.49Å; V585-L738 HydrophobicContact CG2-CB 3.31Å; V585-L738 HydrophobicContact CG2-CD1 4.29Å; V585-L738 HydrophobicContact CG2-CD2 3.32Å; V585-L738 HydrophobicContact CG2-CG 3.77Å; Y590-L738 HydrophobicContact CD2-CD1 4.1Å; Y590-L738 HydrophobicContact CE2-CB 4.46Å; Y590-L738 HydrophobicContact CE2-CD1 3.64Å; F593-L738 HydrophobicContact CB-CD2 3.73Å; K594-L738 HydrophobicContact CB-CD1 4.48Å; K594-L738 HydrophobicContact CD-CD1 4.08Å; L738-I773 HydrophobicContact CD2-CD1 4.14Å
739	L	95.2	Very high	91.4	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.7	-172.7	-175.4	59.3	0	0	0	110.6	R582 I583 L741 I773 R776	R582-L739 WeakPolarHBondContact CA-O 3.47Å; I583-L739 HydrophobicContact CB-CB 4.11Å; I583-L739 HydrophobicContact CG1-CB 4.13Å; I583-L739 HydrophobicContact CG1-CD2 4.48Å; I583-L739 PolarHBondContact N-O 3Å; I583-L739 PolarHBondContact O-N 2.88Å; L739-L741 HydrophobicContact CD1-CD2 4.15Å; L739-L741 HydrophobicContact CD2-CD2 3.4Å; L739-L741 VanDerWaalsContact CD2-CD2 3.4Å; L739-L741 HydrophobicContact CD2-CG 4.02Å; L739-L741 HydrophobicContact CG-CD2 3.65Å; L739-L741 HydrophobicContact CG-CG 4.04Å; L739-I773 HydrophobicContact CD2-CD1 4.08Å; L739-R776 HydrophobicContact CD1-CB 4.4Å; L739-R776 HydrophobicContact CD1-CG 3.75Å
740	V	96.8	Very high	93.5	Very high	48 Å²	48	44 Å²	44	29%	0.291	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.2	170.6	-172.8	0	0	0	0	107	N580 I581 R582 P737 R742	N580-V740 HydrophobicContact CB-CG1 4.05Å; I581-V740 CarbonylContact O-C 3.57Å; I581-V740 WeakPolarHBondContact O-CA 3.48Å; R582-V740 HydrophobicContact CG-CG1 4.42Å; R582-V740 HydrophobicContact CG-CG2 4.24Å; P737-V740 HydrophobicContact CG-CG2 3.82Å; V740-R742 HydrophobicContact CG1-CG 4.2Å
741	L	97.6	Very high	94.8	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.2	178.3	-55.8	169.9	0	0	0	108.3	I581 L739 L759 W771	I581-L741 HydrophobicContact CB-CB 4.14Å; I581-L741 HydrophobicContact CB-CD1 4.37Å; I581-L741 HydrophobicContact CD1-CB 4.41Å; I581-L741 HydrophobicContact CD1-CD1 4.47Å; I581-L741 HydrophobicContact CG2-CD1 4.4Å; I581-L741 PolarHBondContact N-O 2.88Å; I581-L741 VanDerWaalsContact N-O 3.12Å; I581-L741 PolarHBondContact O-N 3.23Å; L739-L741 HydrophobicContact CD1-CD2 4.15Å; L739-L741 HydrophobicContact CD2-CD2 3.4Å; L739-L741 VanDerWaalsContact CD2-CD2 3.4Å; L739-L741 HydrophobicContact CD2-CG 4.02Å; L739-L741 HydrophobicContact CG-CD2 3.65Å; L739-L741 HydrophobicContact CG-CG 4.04Å; L741-L759 HydrophobicContact CD1-CD2 4.25Å; L741-W771 HydrophobicContact CB-CD2 4.11Å; L741-W771 HydrophobicContact CB-CE3 3.97Å; L741-W771 HydrophobicContact CB-CH2 4.21Å; L741-W771 HydrophobicContact CB-CZ2 4.35Å; L741-W771 HydrophobicContact CB-CZ3 4.01Å; L741-W771 HydrophobicContact CD1-CB 3.77Å; L741-W771 HydrophobicContact CD1-CD2 3.82Å; L741-W771 HydrophobicContact CD1-CE3 4.07Å; L741-W771 HydrophobicContact CD1-CG 3.7Å; L741-W771 HydrophobicContact CD2-CD2 4.27Å; L741-W771 HydrophobicContact CD2-CE3 3.63Å; L741-W771 HydrophobicContact CD2-CZ3 4.05Å; L741-W771 HydrophobicContact CG-CD2 4.29Å; L741-W771 HydrophobicContact CG-CE3 4.1Å
742	R	96.6	Very high	95.4	Very high	161 Å²	161	33.8 Å²	33.8	61%	0.608	18%	0.175	S	C	*	.			trans	-114.8	142.8	-177.3	-53.9	-170.5	174.3	-84.5	7.5	109.6	N580 V740 W771	N580-R742 VanDerWaalsContact CG-NH1 3.27Å; N580-R742 PolarHBondContact ND2-NH1 3.38Å; N580-R742 VanDerWaalsContact ND2-NH1 3.17Å; N580-R742 WeakPolarHBondContact OD1-CG 3.49Å; N580-R742 PolarHBondContact OD1-NH1 2.86Å; V740-R742 HydrophobicContact CG1-CG 4.2Å; R742-W771 VanDerWaalsContact O-CH2 3.31Å; R742-W771 WeakPolarHBondContact O-CH2 3.19Å
743	G	94.2	Very high	95.7	Very high	31 Å²	31	34.6 Å²	34.6	32%	0.32	18%	0.177	S	C	.	.			trans	151.7	-21.2	171.4	0	0	0	0	0	114.6	R769	G743-R769 VanDerWaalsContact C-CZ 3.45Å; G743-R769 PolarHBondContact O-NH1 2.85Å; G743-R769 VanDerWaalsContact O-NH1 3.08Å; G743-R769 PolarHBondContact O-NH2 3.23Å
744	H	97.4	Very high	95.8	Very high	13 Å²	13	34.6 Å²	34.6	6%	0.06	18%	0.178	C	C	.	.			trans	-65.3	137.9	168.1	-80.4	-66.8	0	0	0	110.4	V748 S763 D765 R769	H744-V748 HydrophobicContact CB-CG2 4.2Å; H744-S763 WeakPolarHBondContact ND1-CB 3.26Å; H744-D765 VanDerWaalsContact CA-OD2 3.32Å; H744-D765 WeakPolarHBondContact CA-OD2 3.34Å; H744-D765 WeakPolarHBondContact CB-OD2 3.46Å; H744-D765 IonicContact CG-OD2 3.39Å; H744-D765 IonicContact ND1-OD1 3.82Å; H744-D765 IonicContact ND1-OD2 3.28Å; H744-D765 PolarHBondContact ND1-OD2 2.83Å; H744-R769 WeakPolarHBondContact CE1-CG 3.4Å
745	E	96.9	Very high	96.1	Very high	142 Å²	142	39.7 Å²	39.7	66%	0.664	20%	0.2	S	C	*	.	S	Bend	trans	-96.9	-14.2	-177.3	-65.3	-180	175	0	0	111.7	R579 D765	R579-E745 WeakPolarHBondContact CD-O 3.27Å; R579-E745 PolarHBondContact NH1-O 3.11Å; E745-D765 HydrophobicContact CB-CB 4.21Å; E745-D765 PolarHBondContact N-OD2 2.84Å
746	G	96.3	Very high	96.2	Very high	11 Å²	11	41.5 Å²	41.5	11%	0.113	21%	0.205	C	C	.	.	S	Bend	trans	-115.5	175.4	175.9	0	0	0	0	0	113.5	R579 V748 S763	R579-G746 WeakPolarHBondContact CB-O 3.47Å; R579-G746 WeakPolarHBondContact CG-O 3.49Å; G746-V748 PolarHBondContact O-N 2.98Å; G746-S763 VanDerWaalsContact CA-OG 3.3Å; G746-S763 WeakPolarHBondContact CA-OG 3.47Å; G746-S763 PolarHBondContact N-OG 3.42Å; G746-S763 PolarHBondContact O-OG 3.48Å; G746-S763 VanDerWaalsContact O-OG 3.13Å
747	V	96.8	Very high	96.3	Very high	21 Å²	21	37.8 Å²	37.8	13%	0.127	19%	0.191	C	C	.	.			trans	-61.1	130.8	172.9	173.2	0	0	0	0	109.2	P444 Y577 S763 M764	P444-V747 HydrophobicContact CG-CB 4.12Å; P444-V747 HydrophobicContact CG-CG1 3.92Å; P444-V747 HydrophobicContact CG-CG2 4.24Å; Y577-V747 HydrophobicContact CD2-CG2 4.48Å; V747-S763 CarbonylContact O-C 3.39Å; V747-S763 VanDerWaalsContact O-CA 3.24Å; V747-S763 WeakPolarHBondContact O-CA 3.43Å; V747-S763 PolarHBondContact O-OG 3.02Å; V747-M764 HydrophobicContact CB-CG 3.89Å; V747-M764 PolarHBondContact O-N 3.31Å
748	V	98.1	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.8	176.8	177.2	0	0	0	0	109.1	A575 G576 I581 H744 G746 L751 A761 T762	A575-V748 HydrophobicContact CB-CB 3.7Å; A575-V748 HydrophobicContact CB-CG1 3.4Å; A575-V748 HydrophobicContact CB-CG2 4.29Å; G576-V748 PolarHBondContact O-N 2.9Å; G576-V748 VanDerWaalsContact O-N 3.17Å; I581-V748 HydrophobicContact CG1-CG2 4.33Å; H744-V748 HydrophobicContact CB-CG2 4.2Å; G746-V748 PolarHBondContact O-N 2.98Å; V748-L751 HydrophobicContact CG1-CD2 4.34Å; V748-A761 HydrophobicContact CG1-CB 4.33Å; V748-T762 CarbonylContact C-O 3.54Å; V748-T762 VanDerWaalsContact CA-O 3.29Å; V748-T762 WeakPolarHBondContact CA-O 3.23Å; V748-T762 WeakPolarHBondContact CG1-O 3.35Å
749	T	96.3	Very high	96.6	Very high	15 Å²	15	39.8 Å²	39.8	9%	0.092	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-41.1	-169.9	56.7	0	0	0	0	113.1	I445 T762 M764 V788	I445-T749 HydrophobicContact CD1-CG2 3.99Å; T749-T762 PolarHBondContact N-O 2.95Å; T749-T762 WeakPolarHBondContact OG1-CB 3.05Å; T749-T762 PolarHBondContact OG1-O 2.85Å; T749-T762 PolarHBondContact OG1-OG1 3.21Å; T749-M764 HydrophobicContact CG2-CG 4.04Å; T749-M764 HydrophobicContact CG2-SD 3.9Å; T749-V788 PolarHBondContact OG1-O 2.9Å
750	E	97.6	Very high	96.7	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.9	179.7	-170.8	157.2	-131.7	0	0	111.7	A761 T762 T790 I791 R976	E750-A761 WeakPolarHBondContact O-CA 3.49Å; E750-T762 WeakPolarHBondContact CA-OG1 3.26Å; E750-T762 WeakPolarHBondContact CB-OG1 3.18Å; E750-T762 PolarHBondContact N-OG1 2.85Å; E750-T762 PolarHBondContact O-N 2.98Å; E750-T762 VanDerWaalsContact O-N 3.08Å; E750-T762 PolarHBondContact O-OG1 2.77Å; E750-T790 WeakPolarHBondContact OE2-CA 3.32Å; E750-T790 WeakPolarHBondContact OE2-CB 3.49Å; E750-T790 PolarHBondContact OE2-OG1 3.34Å; E750-I791 HydrophobicContact CB-CG1 4.04Å; E750-I791 HydrophobicContact CG-CG1 3.99Å; E750-I791 PolarHBondContact OE2-N 2.82Å; E750-R976 IonicContact OE1-CZ 3.88Å; E750-R976 IonicContact OE1-NE 3.53Å; E750-R976 PolarHBondContact OE1-NE 2.94Å; E750-R976 IonicContact OE1-NH2 2.96Å; E750-R976 PolarHBondContact OE1-NH2 3.45Å; E750-R976 IonicContact OE2-NH2 3.77Å
751	L	98.4	Very high	96.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140	178	-67.4	170	0	0	0	110.1	A562 R564 A573 A575 I581 V748 L759 L760 A761	A562-L751 HydrophobicContact CB-CB 4.26Å; A562-L751 HydrophobicContact CB-CD1 3.86Å; A562-L751 HydrophobicContact CB-CG 3.75Å; R564-L751 HydrophobicContact CG-CB 4.5Å; R564-L751 WeakPolarHBondContact CG-O 3.46Å; A573-L751 HydrophobicContact CB-CD1 3.91Å; A575-L751 HydrophobicContact CB-CD1 3.88Å; A575-L751 HydrophobicContact CB-CD2 4.26Å; A575-L751 HydrophobicContact CB-CG 4.25Å; I581-L751 HydrophobicContact CD1-CD2 4.32Å; I581-L751 HydrophobicContact CG1-CD2 4.2Å; I581-L751 HydrophobicContact CG2-CD2 3.93Å; V748-L751 HydrophobicContact CG1-CD2 4.34Å; L751-L759 HydrophobicContact CB-CD1 4.42Å; L751-L759 HydrophobicContact CD2-CD1 4.31Å; L751-L760 WeakPolarHBondContact CA-O 3.23Å; L751-A761 HydrophobicContact CD2-CB 3.71Å
752	A	98.3	Very high	96.8	Very high	4 Å²	4	37 Å²	37	3%	0.033	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.7	172.8	0	0	0	0	0	111.2	L759 L760 I791 F793	A752-L759 WeakPolarHBondContact O-CA 3.49Å; A752-L760 HydrophobicContact CB-CB 4.41Å; A752-L760 PolarHBondContact N-O 3.28Å; A752-L760 PolarHBondContact O-N 2.78Å; A752-I791 HydrophobicContact CB-CD1 4.15Å; A752-I791 HydrophobicContact CB-CG1 4.43Å; A752-F793 HydrophobicContact CB-CD2 4.12Å; A752-F793 VanDerWaalsContact O-CE2 3.3Å; A752-F793 WeakPolarHBondContact O-CE2 3.46Å
753	W	98.2	Very high	96.9	Very high	25 Å²	25	29.3 Å²	29.3	10%	0.095	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	143.5	174.5	-76.7	100.8	0	0	0	111.4	R564 P567 L571 A573 I583 F758 L759 F793	R564-W753 PolarHBondContact O-NE1 3.27Å; P567-W753 HydrophobicContact CG-CB 4.45Å; L571-W753 HydrophobicContact CB-CH2 4.42Å; L571-W753 HydrophobicContact CB-CZ2 4.25Å; L571-W753 HydrophobicContact CD1-CH2 3.9Å; L571-W753 HydrophobicContact CD1-CZ3 4.36Å; A573-W753 HydrophobicContact CB-CZ2 3.77Å; I583-W753 HydrophobicContact CD1-CH2 4.21Å; I583-W753 HydrophobicContact CD1-CZ2 4.01Å; W753-F758 WeakPolarHBondContact CA-O 3.3Å; W753-L759 HydrophobicContact CD2-CB 4.5Å; W753-L759 HydrophobicContact CD2-CD1 3.77Å; W753-L759 HydrophobicContact CE3-CB 4.15Å; W753-L759 HydrophobicContact CE3-CD1 4.27Å; W753-L759 HydrophobicContact CG-CD1 3.99Å; W753-L759 HydrophobicContact CH2-CB 4.49Å; W753-L759 HydrophobicContact CH2-CD2 4.42Å; W753-L759 HydrophobicContact CZ2-CD1 4.27Å; W753-L759 HydrophobicContact CZ2-CD2 4.3Å; W753-L759 HydrophobicContact CZ3-CB 4.13Å; W753-F793 VanDerWaalsContact C-CD2 3.41Å; W753-F793 WeakPolarHBondContact O-CD2 3.43Å
754	S	96.9	Very high	97	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.146	C	C	.	.			trans	-91.8	168.2	163.6	105.8	0	0	0	0	110.7	N756 F758 D798	S754-N756 VanDerWaalsContact C-N 3.28Å; S754-N756 PolarHBondContact O-N 2.75Å; S754-N756 PolarHBondContact OG-N 3.26Å; S754-N756 VanDerWaalsContact OG-N 3.1Å; S754-F758 PolarHBondContact N-O 3.05Å; S754-F758 WeakPolarHBondContact OG-CB 3.5Å; S754-F758 PolarHBondContact OG-N 2.8Å; S754-D798 WeakPolarHBondContact CB-OD2 3.33Å; S754-D798 PolarHBondContact OG-OD2 2.54Å
755	K	93	Very high	97.1	Very high	135 Å²	135	30.4 Å²	30.4	59%	0.587	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.9	175.9	-70.5	170.7	175.7	168.2	0	112.1	L757 P795 D798	K755-L757 VanDerWaalsContact C-N 3.32Å; K755-L757 PolarHBondContact O-N 3.27Å; K755-P795 PolarHBondContact NZ-O 2.76Å; K755-D798 PolarHBondContact N-OD2 2.85Å
756	N	92.7	Very high	97.1	Very high	100 Å²	100	26.8 Å²	26.8	54%	0.535	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	27.9	179.5	-61.1	-55.9	0	0	0	114	S754 F758 H772 D798	S754-N756 VanDerWaalsContact C-N 3.28Å; S754-N756 PolarHBondContact O-N 2.75Å; S754-N756 PolarHBondContact OG-N 3.26Å; S754-N756 VanDerWaalsContact OG-N 3.1Å; N756-F758 HydrophobicContact CB-CD2 3.99Å; N756-F758 HydrophobicContact CB-CE2 4.08Å; N756-F758 PolarHBondContact O-N 3.35Å; N756-F758 VanDerWaalsContact O-N 3.15Å; N756-H772 PolarHBondContact O-NE2 2.92Å; N756-D798 PolarHBondContact N-OD2 2.98Å; N756-D798 VanDerWaalsContact N-OD2 3.17Å; N756-D798 PolarHBondContact ND2-OD2 3.48Å
757	L	95	Very high	97.2	Very high	34 Å²	34	28.4 Å²	28.4	18%	0.178	14%	0.137	C	C	.	.	S	Bend	trans	63.1	18.2	175.4	-48.4	171.4	0	0	0	115.4	L571 F593 K755 H772 I773	L571-L757 HydrophobicContact CD1-CD2 4.12Å; F593-L757 HydrophobicContact CE1-CD1 4.31Å; K755-L757 VanDerWaalsContact C-N 3.32Å; K755-L757 PolarHBondContact O-N 3.27Å; L757-H772 PolarHBondContact O-CD2 2.99Å; L757-I773 HydrophobicContact CB-CB 4.49Å; L757-I773 HydrophobicContact CB-CG2 3.54Å; L757-I773 HydrophobicContact CD1-CG2 3.74Å; L757-I773 HydrophobicContact CG-CG2 4.19Å; L757-I773 PolarHBondContact O-N 3.09Å
758	F	97.2	Very high	97.3	Very high	67 Å²	67	27.4 Å²	27.4	29%	0.294	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	146.4	162.5	-66.2	-84.3	0	0	0	110.1	W753 S754 N756 L770 W771 H772 L779 F793	W753-F758 WeakPolarHBondContact CA-O 3.3Å; S754-F758 PolarHBondContact N-O 3.05Å; S754-F758 WeakPolarHBondContact OG-CB 3.5Å; S754-F758 PolarHBondContact OG-N 2.8Å; N756-F758 HydrophobicContact CB-CD2 3.99Å; N756-F758 HydrophobicContact CB-CE2 4.08Å; N756-F758 PolarHBondContact O-N 3.35Å; N756-F758 VanDerWaalsContact O-N 3.15Å; F758-L770 HydrophobicContact CB-CD1 3.96Å; F758-L770 HydrophobicContact CD1-CD1 4.05Å; F758-L770 HydrophobicContact CD1-CD2 4.36Å; F758-L770 HydrophobicContact CD1-CG 4.27Å; F758-L770 HydrophobicContact CG-CD1 4.37Å; F758-W771 CarbonylContact C-O 3.57Å; F758-W771 WeakPolarHBondContact CA-O 3.46Å; F758-H772 HydrophobicContact CD1-CB 4Å; F758-H772 AromaticContact CD1-CD2 3.95Å; F758-H772 HydrophobicContact CE1-CB 4.1Å; F758-H772 AromaticContact CE1-CD2 3.93Å; F758-L779 HydrophobicContact CD1-CD1 3.98Å; F758-L779 HydrophobicContact CE1-CD1 3.71Å; F758-F793 HydrophobicContact CB-CZ 3.94Å
759	L	98.3	Very high	97.3	Very high	3 Å²	3	29 Å²	29	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.2	179.7	-179.6	66.3	0	0	0	109	A573 I581 I583 L741 L751 A752 W753 W771	A573-L759 HydrophobicContact CB-CD1 4.24Å; A573-L759 HydrophobicContact CB-CD2 4.07Å; I581-L759 HydrophobicContact CG2-CD2 3.87Å; I583-L759 HydrophobicContact CD1-CD2 3.66Å; L741-L759 HydrophobicContact CD1-CD2 4.25Å; L751-L759 HydrophobicContact CB-CD1 4.42Å; L751-L759 HydrophobicContact CD2-CD1 4.31Å; A752-L759 WeakPolarHBondContact O-CA 3.49Å; W753-L759 HydrophobicContact CD2-CB 4.5Å; W753-L759 HydrophobicContact CD2-CD1 3.77Å; W753-L759 HydrophobicContact CE3-CB 4.15Å; W753-L759 HydrophobicContact CE3-CD1 4.27Å; W753-L759 HydrophobicContact CG-CD1 3.99Å; W753-L759 HydrophobicContact CH2-CB 4.49Å; W753-L759 HydrophobicContact CH2-CD2 4.42Å; W753-L759 HydrophobicContact CZ2-CD1 4.27Å; W753-L759 HydrophobicContact CZ2-CD2 4.3Å; W753-L759 HydrophobicContact CZ3-CB 4.13Å; L759-W771 HydrophobicContact CB-CB 4.35Å; L759-W771 PolarHBondContact N-O 3.4Å; L759-W771 PolarHBondContact O-N 2.68Å
760	L	98.6	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.4	168.4	-70.9	167.1	0	0	0	109.4	L751 A752 V768 R769 L770 I791 F793 F801	L751-L760 WeakPolarHBondContact CA-O 3.23Å; A752-L760 HydrophobicContact CB-CB 4.41Å; A752-L760 PolarHBondContact N-O 3.28Å; A752-L760 PolarHBondContact O-N 2.78Å; L760-V768 HydrophobicContact CB-CG1 4.36Å; L760-V768 HydrophobicContact CD2-CG1 3.82Å; L760-R769 WeakPolarHBondContact CA-O 3.14Å; L760-L770 HydrophobicContact CD2-CB 4.07Å; L760-L770 HydrophobicContact CD2-CD1 3.72Å; L760-L770 HydrophobicContact CG-CD1 4.13Å; L760-I791 HydrophobicContact CB-CD1 3.69Å; L760-I791 WeakPolarHBondContact O-CD1 3.31Å; L760-F793 HydrophobicContact CB-CE2 4.09Å; L760-F793 HydrophobicContact CB-CZ 4.45Å; L760-F793 HydrophobicContact CD1-CD1 4.15Å; L760-F793 HydrophobicContact CD1-CD2 3.88Å; L760-F793 HydrophobicContact CD1-CE1 3.8Å; L760-F793 HydrophobicContact CD1-CE2 3.5Å; L760-F793 VanDerWaalsContact CD1-CE2 3.5Å; L760-F793 HydrophobicContact CD1-CG 4.2Å; L760-F793 HydrophobicContact CD1-CZ 3.46Å; L760-F793 VanDerWaalsContact CD1-CZ 3.46Å; L760-F793 HydrophobicContact CD2-CZ 4.44Å; L760-F793 HydrophobicContact CG-CD2 4.39Å; L760-F793 HydrophobicContact CG-CE1 4.24Å; L760-F793 HydrophobicContact CG-CE2 3.55Å; L760-F793 HydrophobicContact CG-CZ 3.47Å; L760-F793 VanDerWaalsContact CG-CZ 3.47Å; L760-F801 HydrophobicContact CD1-CB 3.49Å; L760-F801 VanDerWaalsContact CD1-CB 3.49Å; L760-F801 HydrophobicContact CD1-CD1 3.99Å; L760-F801 HydrophobicContact CD1-CD2 3.9Å; L760-F801 HydrophobicContact CD1-CG 3.53Å
761	A	98.7	Very high	97.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.8	173	0	0	0	0	0	110.6	I581 V748 E750 L751 V768 R769	I581-A761 HydrophobicContact CD1-CB 3.35Å; I581-A761 HydrophobicContact CG1-CB 4.25Å; V748-A761 HydrophobicContact CG1-CB 4.33Å; E750-A761 WeakPolarHBondContact O-CA 3.49Å; L751-A761 HydrophobicContact CD2-CB 3.71Å; A761-V768 CarbonylContact O-C 3.59Å; A761-V768 WeakPolarHBondContact O-CA 3.27Å; A761-R769 PolarHBondContact N-O 2.87Å; A761-R769 PolarHBondContact O-N 3.42Å
762	T	98.4	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	153.1	173.2	48.5	0	0	0	0	110.7	V748 T749 E750 V768 V788 I791	V748-T762 CarbonylContact C-O 3.54Å; V748-T762 VanDerWaalsContact CA-O 3.29Å; V748-T762 WeakPolarHBondContact CA-O 3.23Å; V748-T762 WeakPolarHBondContact CG1-O 3.35Å; T749-T762 PolarHBondContact N-O 2.95Å; T749-T762 WeakPolarHBondContact OG1-CB 3.05Å; T749-T762 PolarHBondContact OG1-O 2.85Å; T749-T762 PolarHBondContact OG1-OG1 3.21Å; E750-T762 WeakPolarHBondContact CA-OG1 3.26Å; E750-T762 WeakPolarHBondContact CB-OG1 3.18Å; E750-T762 PolarHBondContact N-OG1 2.85Å; E750-T762 PolarHBondContact O-N 2.98Å; E750-T762 VanDerWaalsContact O-N 3.08Å; E750-T762 PolarHBondContact O-OG1 2.77Å; T762-V768 HydrophobicContact CG2-CG1 4.41Å; T762-V768 HydrophobicContact CG2-CG2 4.01Å; T762-V788 VanDerWaalsContact CB-O 3.25Å; T762-V788 WeakPolarHBondContact CB-O 3.42Å; T762-V788 HydrophobicContact CG2-CB 3.72Å; T762-V788 HydrophobicContact CG2-CG1 3.54Å; T762-V788 PolarHBondContact OG1-O 3.34Å; T762-I791 HydrophobicContact CG2-CB 4.02Å; T762-I791 HydrophobicContact CG2-CD1 3.78Å; T762-I791 HydrophobicContact CG2-CG1 3.6Å; T762-I791 HydrophobicContact CG2-CG2 3.27Å
763	S	97.9	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.2	-179.8	161.5	0	0	0	0	111.9	H744 G746 V747 D765 H766 Q767	H744-S763 WeakPolarHBondContact ND1-CB 3.26Å; G746-S763 VanDerWaalsContact CA-OG 3.3Å; G746-S763 WeakPolarHBondContact CA-OG 3.47Å; G746-S763 PolarHBondContact N-OG 3.42Å; G746-S763 PolarHBondContact O-OG 3.48Å; G746-S763 VanDerWaalsContact O-OG 3.13Å; V747-S763 CarbonylContact O-C 3.39Å; V747-S763 VanDerWaalsContact O-CA 3.24Å; V747-S763 WeakPolarHBondContact O-CA 3.43Å; V747-S763 PolarHBondContact O-OG 3.02Å; S763-D765 VanDerWaalsContact CB-CG 3.46Å; S763-D765 WeakPolarHBondContact CB-OD1 3.46Å; S763-D765 WeakPolarHBondContact CB-OD2 3.19Å; S763-D765 PolarHBondContact O-N 2.99Å; S763-D765 VanDerWaalsContact O-N 3.11Å; S763-D765 PolarHBondContact OG-N 3.04Å; S763-D765 PolarHBondContact OG-OD1 3.35Å; S763-D765 PolarHBondContact OG-OD2 3.38Å; S763-H766 PolarHBondContact O-N 3Å; S763-H766 VanDerWaalsContact O-N 3.13Å; S763-Q767 PolarHBondContact N-O 3.45Å
764	M	97.1	Very high	96.9	Very high	39 Å²	39	29.5 Å²	29.5	19%	0.192	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-5.3	170.3	-61.4	-67.5	-65.3	0	0	113.1	P444 I445 Q448 V747 T749 H766 T787	P444-M764 HydrophobicContact CB-CE 4.04Å; P444-M764 HydrophobicContact CB-SD 4.34Å; P444-M764 HydrophobicContact CG-CG 4.41Å; P444-M764 HydrophobicContact CG-SD 4.43Å; I445-M764 HydrophobicContact CB-SD 4.32Å; Q448-M764 HydrophobicContact CG-CE 4.02Å; V747-M764 HydrophobicContact CB-CG 3.89Å; V747-M764 PolarHBondContact O-N 3.31Å; T749-M764 HydrophobicContact CG2-CG 4.04Å; T749-M764 HydrophobicContact CG2-SD 3.9Å; M764-H766 PolarHBondContact O-CD2 3.39Å; M764-H766 VanDerWaalsContact O-CD2 3.29Å; M764-H766 PolarHBondContact O-N 3.43Å; M764-T787 HydrophobicContact SD-CG2 3.78Å
765	D	97.6	Very high	96.6	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.15	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	5.3	169.7	60.4	24.4	0	0	0	113.9	H744 E745 S763 Q767	H744-D765 VanDerWaalsContact CA-OD2 3.32Å; H744-D765 WeakPolarHBondContact CA-OD2 3.34Å; H744-D765 WeakPolarHBondContact CB-OD2 3.46Å; H744-D765 IonicContact CG-OD2 3.39Å; H744-D765 IonicContact ND1-OD1 3.82Å; H744-D765 IonicContact ND1-OD2 3.28Å; H744-D765 PolarHBondContact ND1-OD2 2.83Å; E745-D765 HydrophobicContact CB-CB 4.21Å; E745-D765 PolarHBondContact N-OD2 2.84Å; S763-D765 VanDerWaalsContact CB-CG 3.46Å; S763-D765 WeakPolarHBondContact CB-OD1 3.46Å; S763-D765 WeakPolarHBondContact CB-OD2 3.19Å; S763-D765 PolarHBondContact O-N 2.99Å; S763-D765 VanDerWaalsContact O-N 3.11Å; S763-D765 PolarHBondContact OG-N 3.04Å; S763-D765 PolarHBondContact OG-OD1 3.35Å; S763-D765 PolarHBondContact OG-OD2 3.38Å; D765-Q767 PolarHBondContact O-N 3.46Å; D765-Q767 VanDerWaalsContact OD1-CB 3.29Å; D765-Q767 WeakPolarHBondContact OD1-CB 3.42Å; D765-Q767 PolarHBondContact OD1-N 3.42Å
766	H	97.8	Very high	96.5	Very high	66 Å²	66	37 Å²	37	31%	0.306	17%	0.166	S	C	.	.	S	Bend	trans	66.4	16.2	179.4	-45.4	164.3	0	0	0	114	S763 M764 H784 D786 T787	S763-H766 PolarHBondContact O-N 3Å; S763-H766 VanDerWaalsContact O-N 3.13Å; M764-H766 PolarHBondContact O-CD2 3.39Å; M764-H766 VanDerWaalsContact O-CD2 3.29Å; M764-H766 PolarHBondContact O-N 3.43Å; H766-H784 WeakPolarHBondContact O-CB 3.41Å; H766-H784 PolarHBondContact O-N 3.41Å; H766-D786 WeakPolarHBondContact CB-O 3.29Å; H766-T787 PolarHBondContact CD2-N 3.43Å; H766-T787 VanDerWaalsContact CD2-N 3.28Å; H766-T787 PolarHBondContact CD2-OG1 2.72Å; H766-T787 PolarHBondContact NE2-OG1 3.32Å
767	Q	98	Very high	96.5	Very high	44 Å²	44	38 Å²	38	21%	0.206	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.3	178.9	-60.7	178.6	-0.6	0	0	111.7	S763 D765 R769 V781	S763-Q767 PolarHBondContact N-O 3.45Å; D765-Q767 PolarHBondContact O-N 3.46Å; D765-Q767 VanDerWaalsContact OD1-CB 3.29Å; D765-Q767 WeakPolarHBondContact OD1-CB 3.42Å; D765-Q767 PolarHBondContact OD1-N 3.42Å; Q767-R769 VanDerWaalsContact OE1-NE 3.09Å; Q767-V781 HydrophobicContact CB-CG1 3.88Å; Q767-V781 HydrophobicContact CG-CG1 3.87Å
768	V	98.5	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.8	159.6	-168.3	0	0	0	0	108.1	L760 A761 T762 V781 F782 V788 I791 F801	L760-V768 HydrophobicContact CB-CG1 4.36Å; L760-V768 HydrophobicContact CD2-CG1 3.82Å; A761-V768 CarbonylContact O-C 3.59Å; A761-V768 WeakPolarHBondContact O-CA 3.27Å; T762-V768 HydrophobicContact CG2-CG1 4.41Å; T762-V768 HydrophobicContact CG2-CG2 4.01Å; V768-V781 CarbonylContact O-C 3.58Å; V768-V781 WeakPolarHBondContact O-CA 3.13Å; V768-F782 HydrophobicContact CB-CB 4.2Å; V768-F782 HydrophobicContact CB-CD2 4.4Å; V768-F782 PolarHBondContact N-O 2.8Å; V768-F782 PolarHBondContact O-N 3.43Å; V768-V788 HydrophobicContact CG2-CB 4.42Å; V768-V788 HydrophobicContact CG2-CG1 4.27Å; V768-V788 HydrophobicContact CG2-CG2 4.17Å; V768-I791 HydrophobicContact CG1-CG2 4.11Å; V768-I791 HydrophobicContact CG2-CG2 4.22Å; V768-F801 HydrophobicContact CG1-CE2 4.13Å; V768-F801 HydrophobicContact CG1-CZ 4.4Å; V768-F801 HydrophobicContact CG2-CE2 4.46Å
769	R	98.5	Very high	96.5	Very high	33 Å²	33	37.5 Å²	37.5	13%	0.125	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.6	177.5	-67.9	-172.1	174.9	-148.7	6.4	111.5	G743 H744 L760 A761 Q767 W771 C780 V781	G743-R769 VanDerWaalsContact C-CZ 3.45Å; G743-R769 PolarHBondContact O-NH1 2.85Å; G743-R769 VanDerWaalsContact O-NH1 3.08Å; G743-R769 PolarHBondContact O-NH2 3.23Å; H744-R769 WeakPolarHBondContact CE1-CG 3.4Å; L760-R769 WeakPolarHBondContact CA-O 3.14Å; A761-R769 PolarHBondContact N-O 2.87Å; A761-R769 PolarHBondContact O-N 3.42Å; Q767-R769 VanDerWaalsContact OE1-NE 3.09Å; R769-W771 HydrophobicContact CB-CZ2 4.23Å; R769-C780 WeakPolarHBondContact CA-O 2.99Å; R769-V781 HydrophobicContact CG-CG1 4.38Å; R769-V781 HydrophobicContact CG-CG2 4.21Å
770	L	98.4	Very high	96.4	Very high	8 Å²	8	38 Å²	38	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128	175.4	-178.4	70.2	0	0	0	110.2	F758 L760 L779 C780 F782 F793 I815	F758-L770 HydrophobicContact CB-CD1 3.96Å; F758-L770 HydrophobicContact CD1-CD1 4.05Å; F758-L770 HydrophobicContact CD1-CD2 4.36Å; F758-L770 HydrophobicContact CD1-CG 4.27Å; F758-L770 HydrophobicContact CG-CD1 4.37Å; L760-L770 HydrophobicContact CD2-CB 4.07Å; L760-L770 HydrophobicContact CD2-CD1 3.72Å; L760-L770 HydrophobicContact CG-CD1 4.13Å; L770-L779 HydrophobicContact CD2-CB 4.35Å; L770-L779 HydrophobicContact CD2-CD1 4.49Å; L770-L779 HydrophobicContact CG-CB 4.39Å; L770-L779 HydrophobicContact CG-CD1 4.43Å; L770-L779 WeakPolarHBondContact O-CB 3.41Å; L770-L779 PolarHBondContact O-N 2.64Å; L770-C780 HydrophobicContact CB-CB 4.14Å; L770-C780 HydrophobicContact CD2-CB 4.3Å; L770-C780 PolarHBondContact N-O 3.24Å; L770-F782 HydrophobicContact CB-CE2 4.19Å; L770-F793 HydrophobicContact CD1-CZ 4.1Å; L770-I815 HydrophobicContact CD2-CG2 3.64Å
771	W	98	Very high	96.4	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.011	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	161.3	178.3	-51.9	88.8	0	0	0	109.9	L741 R742 F758 L759 R769 C778	L741-W771 HydrophobicContact CB-CD2 4.11Å; L741-W771 HydrophobicContact CB-CE3 3.97Å; L741-W771 HydrophobicContact CB-CH2 4.21Å; L741-W771 HydrophobicContact CB-CZ2 4.35Å; L741-W771 HydrophobicContact CB-CZ3 4.01Å; L741-W771 HydrophobicContact CD1-CB 3.77Å; L741-W771 HydrophobicContact CD1-CD2 3.82Å; L741-W771 HydrophobicContact CD1-CE3 4.07Å; L741-W771 HydrophobicContact CD1-CG 3.7Å; L741-W771 HydrophobicContact CD2-CD2 4.27Å; L741-W771 HydrophobicContact CD2-CE3 3.63Å; L741-W771 HydrophobicContact CD2-CZ3 4.05Å; L741-W771 HydrophobicContact CG-CD2 4.29Å; L741-W771 HydrophobicContact CG-CE3 4.1Å; R742-W771 VanDerWaalsContact O-CH2 3.31Å; R742-W771 WeakPolarHBondContact O-CH2 3.19Å; F758-W771 CarbonylContact C-O 3.57Å; F758-W771 WeakPolarHBondContact CA-O 3.46Å; L759-W771 HydrophobicContact CB-CB 4.35Å; L759-W771 PolarHBondContact N-O 3.4Å; L759-W771 PolarHBondContact O-N 2.68Å; R769-W771 HydrophobicContact CB-CZ2 4.23Å; W771-C778 HydrophobicContact CD2-CB 4.47Å; W771-C778 HydrophobicContact CE3-CB 4.08Å; W771-C778 HydrophobicContact CH2-CB 3.65Å; W771-C778 HydrophobicContact CZ2-CB 4.05Å; W771-C778 HydrophobicContact CZ3-CB 3.68Å; W771-C778 VanDerWaalsContact CZ3-N 3.29Å
772	H	96.5	Very high	96.4	Very high	34 Å²	34	41 Å²	41	16%	0.157	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.9	168.8	-178.4	-92.6	0	0	0	109.1	N756 L757 F758 S774 R775 L779	N756-H772 PolarHBondContact O-NE2 2.92Å; L757-H772 PolarHBondContact O-CD2 2.99Å; F758-H772 HydrophobicContact CD1-CB 4Å; F758-H772 AromaticContact CD1-CD2 3.95Å; F758-H772 HydrophobicContact CE1-CB 4.1Å; F758-H772 AromaticContact CE1-CD2 3.93Å; H772-S774 PolarHBondContact CE1-OG 3.32Å; H772-S774 WeakPolarHBondContact ND1-CB 3.27Å; H772-S774 PolarHBondContact ND1-N 2.89Å; H772-S774 VanDerWaalsContact ND1-N 3.19Å; H772-S774 PolarHBondContact ND1-OG 2.94Å; H772-S774 PolarHBondContact O-N 3.07Å; H772-S774 VanDerWaalsContact O-N 3.12Å; H772-R775 PolarHBondContact O-N 2.97Å; H772-L779 HydrophobicContact CB-CD1 3.63Å
773	I	94.7	Very high	96.3	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.7	-171	-170.7	58.6	0	0	0	114.8	L571 I583 F593 M596 Q597 L738 L739 L757 R775	L571-I773 HydrophobicContact CD1-CD1 4.36Å; L571-I773 HydrophobicContact CD1-CG1 3.97Å; I583-I773 HydrophobicContact CB-CD1 4.2Å; I583-I773 HydrophobicContact CG1-CD1 4.14Å; I583-I773 HydrophobicContact CG2-CD1 3.73Å; F593-I773 HydrophobicContact CD1-CG1 4.37Å; M596-I773 HydrophobicContact CE-CB 4.11Å; M596-I773 HydrophobicContact CE-CG1 3.86Å; M596-I773 HydrophobicContact CE-CG2 3.37Å; M596-I773 HydrophobicContact SD-CG2 4.23Å; Q597-I773 PolarHBondContact NE2-O 3.06Å; L738-I773 HydrophobicContact CD2-CD1 4.14Å; L739-I773 HydrophobicContact CD2-CD1 4.08Å; L757-I773 HydrophobicContact CB-CB 4.49Å; L757-I773 HydrophobicContact CB-CG2 3.54Å; L757-I773 HydrophobicContact CD1-CG2 3.74Å; L757-I773 HydrophobicContact CG-CG2 4.19Å; L757-I773 PolarHBondContact O-N 3.09Å; I773-R775 VanDerWaalsContact C-N 3.29Å
774	S	93.5	Very high	96.3	Very high	20 Å²	20	45.7 Å²	45.7	14%	0.14	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.5	177.5	71.7	0	0	0	0	113.1	S600 H772	S600-S774 WeakPolarHBondContact CB-O 3.33Å; S600-S774 PolarHBondContact OG-O 3.13Å; H772-S774 PolarHBondContact CE1-OG 3.32Å; H772-S774 WeakPolarHBondContact ND1-CB 3.27Å; H772-S774 PolarHBondContact ND1-N 2.89Å; H772-S774 VanDerWaalsContact ND1-N 3.19Å; H772-S774 PolarHBondContact ND1-OG 2.94Å; H772-S774 PolarHBondContact O-N 3.07Å; H772-S774 VanDerWaalsContact O-N 3.12Å
775	R	91	Very high	96.3	Very high	124 Å²	124	50 Å²	50	47%	0.468	25%	0.247	S	C	.	.			trans	-122.9	151.6	-177.8	-55.4	-165.4	-169.9	173.9	0.1	110.6	H772 I773 E777	H772-R775 PolarHBondContact O-N 2.97Å; I773-R775 VanDerWaalsContact C-N 3.29Å; R775-E777 HydrophobicContact CB-CG 4.25Å; R775-E777 IonicContact NH1-OE1 3.55Å
776	R	90.4	Very high	96.2	Very high	171 Å²	171	49.6 Å²	49.6	65%	0.645	24%	0.244	S	C	*	.	S	Bend	trans	-92.6	-21.2	176.4	-59.1	-164.8	170.5	-175.9	-1.8	113	L739	L739-R776 HydrophobicContact CD1-CB 4.4Å; L739-R776 HydrophobicContact CD1-CG 3.75Å
777	E	93.4	Very high	96.2	Very high	119 Å²	119	46.4 Å²	46.4	56%	0.556	23%	0.23	S	C	*	.	S	Bend	trans	-81	154.5	-179.8	66.3	-170.4	178.5	0	0	112.1	R775	R775-E777 HydrophobicContact CB-CG 4.25Å; R775-E777 IonicContact NH1-OE1 3.55Å
778	C	95.8	Very high	96.2	Very high	38 Å²	38	44.3 Å²	44.3	26%	0.257	22%	0.22	S	C	.	.			trans	-73.9	128	171.1	-177.6	0	0	0	0	109.1	W771 C780	W771-C778 HydrophobicContact CD2-CB 4.47Å; W771-C778 HydrophobicContact CE3-CB 4.08Å; W771-C778 HydrophobicContact CH2-CB 3.65Å; W771-C778 HydrophobicContact CZ2-CB 4.05Å; W771-C778 HydrophobicContact CZ3-CB 3.68Å; W771-C778 VanDerWaalsContact CZ3-N 3.29Å; C778-C780 PolarHBondContact SG-O 2.65Å; C778-C780 VanDerWaalsContact SG-O 3.33Å
779	L	96.3	Very high	96.1	Very high	54 Å²	54	44.7 Å²	44.7	28%	0.283	22%	0.222	S	C	.	.			trans	-80.7	-39.7	-177.6	-60.1	-179	0	0	0	112.6	F758 L770 H772	F758-L779 HydrophobicContact CD1-CD1 3.98Å; F758-L779 HydrophobicContact CE1-CD1 3.71Å; L770-L779 HydrophobicContact CD2-CB 4.35Å; L770-L779 HydrophobicContact CD2-CD1 4.49Å; L770-L779 HydrophobicContact CG-CB 4.39Å; L770-L779 HydrophobicContact CG-CD1 4.43Å; L770-L779 WeakPolarHBondContact O-CB 3.41Å; L770-L779 PolarHBondContact O-N 2.64Å; H772-L779 HydrophobicContact CB-CD1 3.63Å
780	C	96.1	Very high	96.1	Very high	12 Å²	12	43.1 Å²	43.1	8%	0.081	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	149.9	-177.1	-165.7	0	0	0	0	110.6	R769 L770 C778 F782 K818	R769-C780 WeakPolarHBondContact CA-O 2.99Å; L770-C780 HydrophobicContact CB-CB 4.14Å; L770-C780 HydrophobicContact CD2-CB 4.3Å; L770-C780 PolarHBondContact N-O 3.24Å; C778-C780 PolarHBondContact SG-O 2.65Å; C778-C780 VanDerWaalsContact SG-O 3.33Å; C780-F782 HydrophobicContact CB-CE2 4Å; C780-F782 HydrophobicContact CB-CZ 4.12Å; C780-K818 VanDerWaalsContact SG-CE 3.58Å
781	V	97.8	Very high	96.1	Very high	61 Å²	61	43 Å²	43	37%	0.37	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.1	174.8	-173.6	0	0	0	0	107.7	Q767 V768 R769	Q767-V781 HydrophobicContact CB-CG1 3.88Å; Q767-V781 HydrophobicContact CG-CG1 3.87Å; V768-V781 CarbonylContact O-C 3.58Å; V768-V781 WeakPolarHBondContact O-CA 3.13Å; R769-V781 HydrophobicContact CG-CG1 4.38Å; R769-V781 HydrophobicContact CG-CG2 4.21Å
782	F	98.2	Very high	96.1	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	110	175.1	-51.8	-94.6	0	0	0	108.3	V768 L770 C780 F801 W813 I815	V768-F782 HydrophobicContact CB-CB 4.2Å; V768-F782 HydrophobicContact CB-CD2 4.4Å; V768-F782 PolarHBondContact N-O 2.8Å; V768-F782 PolarHBondContact O-N 3.43Å; L770-F782 HydrophobicContact CB-CE2 4.19Å; C780-F782 HydrophobicContact CB-CE2 4Å; C780-F782 HydrophobicContact CB-CZ 4.12Å; F782-F801 HydrophobicContact CB-CZ 4.21Å; F782-F801 HydrophobicContact CD1-CE1 4.11Å; F782-F801 HydrophobicContact CD1-CZ 4.05Å; F782-F801 AromaticContact CD2-CE1 3.95Å; F782-F801 HydrophobicContact CD2-CE1 3.95Å; F782-F801 AromaticContact CD2-CZ 3.76Å; F782-F801 HydrophobicContact CD2-CZ 3.76Å; F782-F801 AromaticContact CE1-CE1 3.94Å; F782-F801 HydrophobicContact CE1-CE1 3.94Å; F782-F801 HydrophobicContact CE1-CZ 4.34Å; F782-F801 AromaticContact CE2-CE1 3.8Å; F782-F801 HydrophobicContact CE2-CE1 3.8Å; F782-F801 HydrophobicContact CE2-CZ 4.1Å; F782-F801 HydrophobicContact CG-CE1 4.12Å; F782-F801 AromaticContact CG-CZ 3.74Å; F782-F801 HydrophobicContact CG-CZ 3.74Å; F782-F801 AromaticContact CZ-CE1 3.79Å; F782-F801 HydrophobicContact CZ-CE1 3.79Å; F782-F801 HydrophobicContact CZ-CZ 4.38Å; F782-W813 HydrophobicContact CB-CE3 4.47Å; F782-W813 HydrophobicContact CB-CH2 4.3Å; F782-W813 HydrophobicContact CB-CZ2 4.45Å; F782-W813 HydrophobicContact CB-CZ3 4.31Å; F782-W813 HydrophobicContact CD1-CD2 4.23Å; F782-W813 AromaticContact CD1-CE3 3.68Å; F782-W813 HydrophobicContact CD1-CE3 3.68Å; F782-W813 AromaticContact CD1-CZ3 3.99Å; F782-W813 HydrophobicContact CD1-CZ3 3.99Å; F782-W813 HydrophobicContact CE1-CE3 4.41Å; F782-W813 HydrophobicContact CG-CE3 4.47Å; F782-I815 HydrophobicContact CZ-CB 4.35Å; F782-I815 HydrophobicContact CZ-CG1 4.06Å; F782-I815 HydrophobicContact CZ-CG2 4.26Å
783	S	97.4	Very high	96.2	Very high	84 Å²	84	43.2 Å²	43.2	59%	0.587	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82	137.3	-176.7	-56	0	0	0	0	111.5
784	H	97.9	Very high	96.3	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.065	23%	0.226	C	C	.	.			trans	-116.5	161.7	170.2	-73.3	-105.7	0	0	0	110.4	H766 D786 V788 S803 R811 W813	H766-H784 WeakPolarHBondContact O-CB 3.41Å; H766-H784 PolarHBondContact O-N 3.41Å; H784-D786 WeakPolarHBondContact CB-O 3.29Å; H784-D786 PolarHBondContact O-N 2.92Å; H784-V788 HydrophobicContact CB-CG2 3.73Å; H784-V788 VanDerWaalsContact CD2-CG2 3.47Å; H784-V788 WeakPolarHBondContact CD2-CG2 3.03Å; H784-S803 PolarHBondContact CE1-OG 3.06Å; H784-R811 PolarHBondContact ND1-NH1 2.79Å; H784-W813 AromaticContact CE1-CE2 3.87Å; H784-W813 AromaticContact CE1-CZ2 3.59Å; H784-W813 AromaticContact CE1-NE1 3.55Å; H784-W813 AromaticContact NE2-CE2 3.67Å; H784-W813 AromaticContact NE2-CZ2 3.4Å; H784-W813 WeakPolarHBondContact NE2-CZ2 3.35Å; H784-W813 AromaticContact NE2-NE1 3.48Å; H784-W813 PolarHBondContact NE2-NE1 3.11Å
785	N	96	Very high	96.3	Very high	130 Å²	130	46.3 Å²	46.3	70%	0.695	24%	0.235	S	C	*	.	S	Bend	trans	-75.7	-7.7	176.6	-65.8	-4.2	0	0	0	112.5	D807	N785-D807 HydrophobicContact CB-CB 4.36Å
786	D	96.3	Very high	96.4	Very high	18 Å²	18	46.6 Å²	46.6	10%	0.096	24%	0.24	C	C	.	.	S	Bend	trans	-161.6	171.3	-170.4	-144.3	-36.1	0	0	0	110.7	R452 H766 H784 V788 L806 D807	R452-D786 IonicContact CZ-OD1 3.76Å; R452-D786 IonicContact CZ-OD2 3.69Å; R452-D786 IonicContact NH1-OD2 3.89Å; R452-D786 PolarHBondContact NH1-OD2 2.83Å; R452-D786 IonicContact NH2-OD1 3.86Å; R452-D786 PolarHBondContact NH2-OD1 2.95Å; R452-D786 IonicContact NH2-OD2 2.76Å; R452-D786 PolarHBondContact NH2-OD2 3Å; H766-D786 WeakPolarHBondContact CB-O 3.29Å; H784-D786 WeakPolarHBondContact CB-O 3.29Å; H784-D786 PolarHBondContact O-N 2.92Å; D786-V788 PolarHBondContact O-N 2.71Å; D786-L806 HydrophobicContact CB-CB 4Å; D786-L806 VanDerWaalsContact CG-CB 3.47Å; D786-L806 WeakPolarHBondContact OD1-CB 3.46Å; D786-D807 HydrophobicContact CB-CB 3.93Å
787	T	96.9	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.			trans	-60.5	136	179.9	-59.8	0	0	0	0	110.6	I445 Q448 M764 H766 P789 L806	I445-T787 HydrophobicContact CD1-CG2 4.13Å; I445-T787 HydrophobicContact CG1-CG2 4.41Å; Q448-T787 PolarHBondContact NE2-OG1 3.33Å; Q448-T787 PolarHBondContact OE1-OG1 3.15Å; M764-T787 HydrophobicContact SD-CG2 3.78Å; H766-T787 PolarHBondContact CD2-N 3.43Å; H766-T787 VanDerWaalsContact CD2-N 3.28Å; H766-T787 PolarHBondContact CD2-OG1 2.72Å; H766-T787 PolarHBondContact NE2-OG1 3.32Å; T787-P789 WeakPolarHBondContact O-CD 3.45Å; T787-L806 WeakPolarHBondContact O-CB 3.21Å; T787-L806 PolarHBondContact O-N 3.08Å
788	V	98.1	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.			trans	-100.1	96.8	178	-176	0	0	0	0	108.3	T749 T762 V768 H784 D786 T790 I791 G804	T749-V788 PolarHBondContact OG1-O 2.9Å; T762-V788 VanDerWaalsContact CB-O 3.25Å; T762-V788 WeakPolarHBondContact CB-O 3.42Å; T762-V788 HydrophobicContact CG2-CB 3.72Å; T762-V788 HydrophobicContact CG2-CG1 3.54Å; T762-V788 PolarHBondContact OG1-O 3.34Å; V768-V788 HydrophobicContact CG2-CB 4.42Å; V768-V788 HydrophobicContact CG2-CG1 4.27Å; V768-V788 HydrophobicContact CG2-CG2 4.17Å; H784-V788 HydrophobicContact CB-CG2 3.73Å; H784-V788 VanDerWaalsContact CD2-CG2 3.47Å; H784-V788 WeakPolarHBondContact CD2-CG2 3.03Å; D786-V788 PolarHBondContact O-N 2.71Å; V788-T790 WeakPolarHBondContact CG1-O 2.86Å; V788-T790 PolarHBondContact O-N 3.12Å; V788-I791 HydrophobicContact CG1-CG2 3.91Å; V788-G804 WeakPolarHBondContact CG1-O 3.33Å
789	P	97.2	Very high	96.6	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.045	21%	0.211	C	C	.	.			trans	-66.3	-23.4	176	22.5	-34.6	0	0	0	113.5	I445 F449 T787 G804 I881	I445-P789 HydrophobicContact CD1-CB 3.39Å; I445-P789 HydrophobicContact CG1-CB 4.38Å; F449-P789 HydrophobicContact CE1-CB 4.1Å; F449-P789 HydrophobicContact CE1-CG 4.28Å; F449-P789 HydrophobicContact CZ-CB 3.75Å; F449-P789 HydrophobicContact CZ-CG 4.3Å; T787-P789 WeakPolarHBondContact O-CD 3.45Å; P789-G804 WeakPolarHBondContact CD-O 3.48Å; P789-I881 VanDerWaalsContact CG-O 3.25Å; P789-I881 WeakPolarHBondContact CG-O 3.45Å
790	T	97.9	Very high	96.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	136.9	-171.9	-164	0	0	0	0	116.9	E750 V788 S803 G804 I881 A884	E750-T790 WeakPolarHBondContact OE2-CA 3.32Å; E750-T790 WeakPolarHBondContact OE2-CB 3.49Å; E750-T790 PolarHBondContact OE2-OG1 3.34Å; V788-T790 WeakPolarHBondContact CG1-O 2.86Å; V788-T790 PolarHBondContact O-N 3.12Å; T790-S803 WeakPolarHBondContact O-CA 3.3Å; T790-G804 PolarHBondContact O-N 3.1Å; T790-I881 HydrophobicContact CG2-CG2 4.21Å; T790-A884 HydrophobicContact CG2-CB 3.75Å; T790-A884 VanDerWaalsContact CG2-N 3.34Å; T790-A884 PolarHBondContact OG1-N 3.32Å
791	I	98.2	Very high	96.8	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.8	178.8	45.6	157.5	0	0	0	112.3	E750 A752 L760 T762 V768 V788 L802	E750-I791 HydrophobicContact CB-CG1 4.04Å; E750-I791 HydrophobicContact CG-CG1 3.99Å; E750-I791 PolarHBondContact OE2-N 2.82Å; A752-I791 HydrophobicContact CB-CD1 4.15Å; A752-I791 HydrophobicContact CB-CG1 4.43Å; L760-I791 HydrophobicContact CB-CD1 3.69Å; L760-I791 WeakPolarHBondContact O-CD1 3.31Å; T762-I791 HydrophobicContact CG2-CB 4.02Å; T762-I791 HydrophobicContact CG2-CD1 3.78Å; T762-I791 HydrophobicContact CG2-CG1 3.6Å; T762-I791 HydrophobicContact CG2-CG2 3.27Å; V768-I791 HydrophobicContact CG1-CG2 4.11Å; V768-I791 HydrophobicContact CG2-CG2 4.22Å; V788-I791 HydrophobicContact CG1-CG2 3.91Å; I791-L802 WeakPolarHBondContact CA-O 3.48Å
792	V	98.2	Very high	96.8	Very high	29 Å²	29	35.7 Å²	35.7	18%	0.176	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	137.2	173.4	66.3	0	0	0	0	110.9	F801 L802 F886	V792-F801 CarbonylContact O-C 3.57Å; V792-F801 WeakPolarHBondContact O-CA 3.24Å; V792-F801 WeakPolarHBondContact O-CB 3.49Å; V792-L802 HydrophobicContact CG1-CB 3.81Å; V792-L802 HydrophobicContact CG1-CD2 4.12Å; V792-L802 PolarHBondContact N-O 2.9Å; V792-L802 PolarHBondContact O-N 2.83Å; V792-F886 HydrophobicContact CG1-CD2 3.82Å; V792-F886 HydrophobicContact CG1-CE2 3.88Å
793	F	98.3	Very high	96.9	Very high	13 Å²	13	35.5 Å²	35.5	6%	0.057	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	148.8	168.7	-82.7	-80.7	0	0	0	110.6	A752 W753 F758 L760 L770 F801 I815	A752-F793 HydrophobicContact CB-CD2 4.12Å; A752-F793 VanDerWaalsContact O-CE2 3.3Å; A752-F793 WeakPolarHBondContact O-CE2 3.46Å; W753-F793 VanDerWaalsContact C-CD2 3.41Å; W753-F793 WeakPolarHBondContact O-CD2 3.43Å; F758-F793 HydrophobicContact CB-CZ 3.94Å; L760-F793 HydrophobicContact CB-CE2 4.09Å; L760-F793 HydrophobicContact CB-CZ 4.45Å; L760-F793 HydrophobicContact CD1-CD1 4.15Å; L760-F793 HydrophobicContact CD1-CD2 3.88Å; L760-F793 HydrophobicContact CD1-CE1 3.8Å; L760-F793 HydrophobicContact CD1-CE2 3.5Å; L760-F793 VanDerWaalsContact CD1-CE2 3.5Å; L760-F793 HydrophobicContact CD1-CG 4.2Å; L760-F793 HydrophobicContact CD1-CZ 3.46Å; L760-F793 VanDerWaalsContact CD1-CZ 3.46Å; L760-F793 HydrophobicContact CD2-CZ 4.44Å; L760-F793 HydrophobicContact CG-CD2 4.39Å; L760-F793 HydrophobicContact CG-CE1 4.24Å; L760-F793 HydrophobicContact CG-CE2 3.55Å; L760-F793 HydrophobicContact CG-CZ 3.47Å; L760-F793 VanDerWaalsContact CG-CZ 3.47Å; L770-F793 HydrophobicContact CD1-CZ 4.1Å; F793-F801 HydrophobicContact CD1-CB 4.36Å; F793-I815 HydrophobicContact CD1-CD1 4.34Å; F793-I815 HydrophobicContact CE1-CD1 3.64Å
794	H	96.6	Very high	96.9	Very high	38 Å²	38	31.5 Å²	31.5	18%	0.176	15%	0.152	C	C	.	.			trans	-63	134.3	170.4	-178.3	-90.8	0	0	0	110	K796 D797 Y800 F886	H794-K796 PolarHBondContact ND1-N 3.14Å; H794-K796 PolarHBondContact O-N 2.9Å; H794-D797 WeakPolarHBondContact CB-O 3.44Å; H794-D797 PolarHBondContact ND1-N 3.31Å; H794-D797 VanDerWaalsContact ND1-N 3.16Å; H794-D797 PolarHBondContact O-N 2.84Å; H794-Y800 WeakPolarHBondContact CB-O 3.21Å; H794-Y800 PolarHBondContact N-O 2.74Å; H794-F886 HydrophobicContact CB-CE2 4.17Å; H794-F886 HydrophobicContact CB-CZ 4.25Å; H794-F886 AromaticContact CD2-CE1 3.72Å; H794-F886 AromaticContact CD2-CZ 3.81Å
795	P	94.8	Very high	96.9	Very high	51 Å²	51	30.9 Å²	30.9	33%	0.331	15%	0.149	S	C	.	.	S	Bend	trans	-63.3	-22.5	-168.1	22.7	-35	0	0	0	114.6	K755 F886	K755-P795 PolarHBondContact NZ-O 2.76Å; P795-F886 HydrophobicContact CG-CB 4.09Å; P795-F886 HydrophobicContact CG-CG 4.41Å
796	K	92.3	Very high	96.9	Very high	129 Å²	129	24.8 Å²	24.8	56%	0.561	12%	0.117	S	C	*	.	S	Bend	trans	-116.5	-19.3	-177.1	-60.3	-175.1	-178.5	-176.3	0	114.6	H794 E889	H794-K796 PolarHBondContact ND1-N 3.14Å; H794-K796 PolarHBondContact O-N 2.9Å; K796-E889 WeakPolarHBondContact CE-O 3.33Å; K796-E889 WeakPolarHBondContact CE-OE2 3.37Å; K796-E889 IonicContact NZ-OE2 3.88Å; K796-E889 PolarHBondContact NZ-OE2 3.37Å
797	D	94.2	Very high	96.8	Very high	37 Å²	37	24.2 Å²	24.2	20%	0.198	11%	0.114	C	C	.	.			trans	-135	99.6	-170.5	-170.9	-13.1	0	0	0	110.3	H794 R799 Y800	H794-D797 WeakPolarHBondContact CB-O 3.44Å; H794-D797 PolarHBondContact ND1-N 3.31Å; H794-D797 VanDerWaalsContact ND1-N 3.16Å; H794-D797 PolarHBondContact O-N 2.84Å; D797-R799 PolarHBondContact O-N 2.77Å; D797-R799 VanDerWaalsContact OD1-CB 3.24Å; D797-R799 WeakPolarHBondContact OD1-CB 3.19Å; D797-R799 VanDerWaalsContact OD1-CG 3.29Å; D797-R799 WeakPolarHBondContact OD1-CG 3.33Å; D797-R799 IonicContact OD1-CZ 3.76Å; D797-R799 PolarHBondContact OD1-N 2.79Å; D797-R799 IonicContact OD1-NE 3.91Å; D797-R799 PolarHBondContact OD1-NE 3.24Å; D797-R799 IonicContact OD1-NH2 3.09Å; D797-R799 IonicContact OD2-CZ 2.7Å; D797-R799 IonicContact OD2-NE 2.88Å; D797-R799 PolarHBondContact OD2-NE 3.03Å; D797-R799 IonicContact OD2-NH2 3.68Å; D797-R799 PolarHBondContact OD2-NH2 2.94Å; D797-Y800 HydrophobicContact CB-CD2 4.13Å; D797-Y800 PolarHBondContact O-N 3.09Å; D797-Y800 VanDerWaalsContact O-N 3.11Å; D797-Y800 WeakPolarHBondContact OD2-CD2 3.2Å; D797-Y800 VanDerWaalsContact OD2-CE2 3.26Å; D797-Y800 WeakPolarHBondContact OD2-CE2 3.39Å
798	D	94.5	Very high	96.7	Very high	28 Å²	28	24.2 Å²	24.2	15%	0.15	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.9	-178.1	-80.5	13	0	0	0	113.4	S754 K755 N756 Y800 I815	S754-D798 WeakPolarHBondContact CB-OD2 3.33Å; S754-D798 PolarHBondContact OG-OD2 2.54Å; K755-D798 PolarHBondContact N-OD2 2.85Å; N756-D798 PolarHBondContact N-OD2 2.98Å; N756-D798 VanDerWaalsContact N-OD2 3.17Å; N756-D798 PolarHBondContact ND2-OD2 3.48Å; D798-Y800 VanDerWaalsContact C-N 3.26Å; D798-I815 WeakPolarHBondContact O-CD1 3.43Å
799	R	96.4	Very high	96.7	Very high	134 Å²	134	26.5 Å²	26.5	51%	0.506	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-18	174.5	-60.5	177.7	-64.9	176.1	0.8	113	D797 I815 P816	D797-R799 PolarHBondContact O-N 2.77Å; D797-R799 VanDerWaalsContact OD1-CB 3.24Å; D797-R799 WeakPolarHBondContact OD1-CB 3.19Å; D797-R799 VanDerWaalsContact OD1-CG 3.29Å; D797-R799 WeakPolarHBondContact OD1-CG 3.33Å; D797-R799 IonicContact OD1-CZ 3.76Å; D797-R799 PolarHBondContact OD1-N 2.79Å; D797-R799 IonicContact OD1-NE 3.91Å; D797-R799 PolarHBondContact OD1-NE 3.24Å; D797-R799 IonicContact OD1-NH2 3.09Å; D797-R799 IonicContact OD2-CZ 2.7Å; D797-R799 IonicContact OD2-NE 2.88Å; D797-R799 PolarHBondContact OD2-NE 3.03Å; D797-R799 IonicContact OD2-NH2 3.68Å; D797-R799 PolarHBondContact OD2-NH2 2.94Å; R799-I815 WeakPolarHBondContact O-CB 3.47Å; R799-I815 PolarHBondContact O-N 3.35Å; R799-P816 HydrophobicContact CB-CG 4.44Å; R799-P816 HydrophobicContact CG-CG 4.28Å
800	Y	97.6	Very high	96.7	Very high	27 Å²	27	26.1 Å²	26.1	11%	0.106	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.5	-177.4	-58.8	-78.9	0	0	0	112.4	H794 D797 D798 W813 N814 R821	H794-Y800 WeakPolarHBondContact CB-O 3.21Å; H794-Y800 PolarHBondContact N-O 2.74Å; D797-Y800 HydrophobicContact CB-CD2 4.13Å; D797-Y800 PolarHBondContact O-N 3.09Å; D797-Y800 VanDerWaalsContact O-N 3.11Å; D797-Y800 WeakPolarHBondContact OD2-CD2 3.2Å; D797-Y800 VanDerWaalsContact OD2-CE2 3.26Å; D797-Y800 WeakPolarHBondContact OD2-CE2 3.39Å; D798-Y800 VanDerWaalsContact C-N 3.26Å; Y800-W813 WeakPolarHBondContact CA-O 3.5Å; Y800-W813 WeakPolarHBondContact CD1-O 3.31Å; Y800-N814 HydrophobicContact CD1-CB 4.19Å; Y800-N814 HydrophobicContact CE1-CB 3.82Å; Y800-R821 VanDerWaalsContact CE1-CD 3.44Å; Y800-R821 PolarHBondContact OH-NH1 2.85Å; Y800-R821 VanDerWaalsContact OH-NH1 3.16Å
801	F	98.3	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150	166.3	74.6	-87.4	0	0	0	111.1	L760 V768 F782 V792 F793 W813 I815	L760-F801 HydrophobicContact CD1-CB 3.49Å; L760-F801 VanDerWaalsContact CD1-CB 3.49Å; L760-F801 HydrophobicContact CD1-CD1 3.99Å; L760-F801 HydrophobicContact CD1-CD2 3.9Å; L760-F801 HydrophobicContact CD1-CG 3.53Å; V768-F801 HydrophobicContact CG1-CE2 4.13Å; V768-F801 HydrophobicContact CG1-CZ 4.4Å; V768-F801 HydrophobicContact CG2-CE2 4.46Å; F782-F801 HydrophobicContact CB-CZ 4.21Å; F782-F801 HydrophobicContact CD1-CE1 4.11Å; F782-F801 HydrophobicContact CD1-CZ 4.05Å; F782-F801 AromaticContact CD2-CE1 3.95Å; F782-F801 HydrophobicContact CD2-CE1 3.95Å; F782-F801 AromaticContact CD2-CZ 3.76Å; F782-F801 HydrophobicContact CD2-CZ 3.76Å; F782-F801 AromaticContact CE1-CE1 3.94Å; F782-F801 HydrophobicContact CE1-CE1 3.94Å; F782-F801 HydrophobicContact CE1-CZ 4.34Å; F782-F801 AromaticContact CE2-CE1 3.8Å; F782-F801 HydrophobicContact CE2-CE1 3.8Å; F782-F801 HydrophobicContact CE2-CZ 4.1Å; F782-F801 HydrophobicContact CG-CE1 4.12Å; F782-F801 AromaticContact CG-CZ 3.74Å; F782-F801 HydrophobicContact CG-CZ 3.74Å; F782-F801 AromaticContact CZ-CE1 3.79Å; F782-F801 HydrophobicContact CZ-CE1 3.79Å; F782-F801 HydrophobicContact CZ-CZ 4.38Å; V792-F801 CarbonylContact O-C 3.57Å; V792-F801 WeakPolarHBondContact O-CA 3.24Å; V792-F801 WeakPolarHBondContact O-CB 3.49Å; F793-F801 HydrophobicContact CD1-CB 4.36Å; F801-W813 HydrophobicContact CD1-CB 3.66Å; F801-W813 HydrophobicContact CD1-CG 4.37Å; F801-W813 HydrophobicContact CD2-CB 4.39Å; F801-W813 AromaticContact CD2-CD1 3.9Å; F801-W813 HydrophobicContact CD2-CG 4.4Å; F801-W813 HydrophobicContact CE1-CB 3.27Å; F801-W813 AromaticContact CE1-CG 3.71Å; F801-W813 HydrophobicContact CE1-CG 3.71Å; F801-W813 HydrophobicContact CE2-CB 4.05Å; F801-W813 AromaticContact CE2-CD1 3.26Å; F801-W813 AromaticContact CE2-CG 3.73Å; F801-W813 HydrophobicContact CE2-CG 3.73Å; F801-W813 AromaticContact CE2-NE1 3.83Å; F801-W813 HydrophobicContact CG-CB 4.22Å; F801-W813 HydrophobicContact CZ-CB 3.49Å; F801-W813 VanDerWaalsContact CZ-CB 3.49Å; F801-W813 AromaticContact CZ-CD1 3.4Å; F801-W813 AromaticContact CZ-CD2 3.96Å; F801-W813 HydrophobicContact CZ-CD2 3.96Å; F801-W813 AromaticContact CZ-CG 3.34Å; F801-W813 HydrophobicContact CZ-CG 3.34Å; F801-W813 AromaticContact CZ-NE1 3.98Å; F801-W813 PolarHBondContact N-O 3.04Å; F801-W813 PolarHBondContact O-N 2.9Å; F801-I815 HydrophobicContact CD1-CD1 3.75Å; F801-I815 HydrophobicContact CD1-CG1 3.5Å; F801-I815 VanDerWaalsContact CD1-CG1 3.5Å; F801-I815 HydrophobicContact CE1-CD1 4.43Å; F801-I815 HydrophobicContact CE1-CG1 3.77Å
802	L	98.7	Very high	96.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.2	174.9	-174.9	74.7	0	0	0	109.1	I791 V792 L810 R811 A884 F886 V893 L909	I791-L802 WeakPolarHBondContact CA-O 3.48Å; V792-L802 HydrophobicContact CG1-CB 3.81Å; V792-L802 HydrophobicContact CG1-CD2 4.12Å; V792-L802 PolarHBondContact N-O 2.9Å; V792-L802 PolarHBondContact O-N 2.83Å; L802-L810 HydrophobicContact CD1-CD1 3.84Å; L802-L810 HydrophobicContact CD1-CD2 4.37Å; L802-L810 HydrophobicContact CD1-CG 3.89Å; L802-L810 HydrophobicContact CD2-CD1 4.2Å; L802-L810 HydrophobicContact CG-CD1 4.01Å; L802-R811 CarbonylContact C-O 3.55Å; L802-R811 WeakPolarHBondContact CA-O 3.45Å; L802-A884 HydrophobicContact CD2-CB 3.85Å; L802-F886 HydrophobicContact CB-CE2 3.68Å; L802-F886 HydrophobicContact CB-CZ 3.76Å; L802-F886 HydrophobicContact CD2-CE2 4.38Å; L802-F886 HydrophobicContact CD2-CZ 4.4Å; L802-F886 HydrophobicContact CG-CZ 4.5Å; L802-V893 HydrophobicContact CD1-CG1 4.23Å; L802-V893 HydrophobicContact CD2-CG1 3.42Å; L802-V893 VanDerWaalsContact CD2-CG1 3.42Å; L802-V893 HydrophobicContact CD2-CG2 4.4Å; L802-V893 HydrophobicContact CG-CG1 4.47Å; L802-L909 HydrophobicContact CD1-CD2 3.88Å
803	S	98.6	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136	173.6	57.7	0	0	0	0	110.4	H784 T790 R811 W813	H784-S803 PolarHBondContact CE1-OG 3.06Å; T790-S803 WeakPolarHBondContact O-CA 3.3Å; S803-R811 PolarHBondContact N-O 2.8Å; S803-R811 PolarHBondContact O-N 3.47Å; S803-R811 PolarHBondContact OG-O 3.11Å; S803-W813 VanDerWaalsContact OG-CD1 3.26Å; S803-W813 PolarHBondContact OG-NE1 3.16Å
804	G	98.1	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.9	170	0	0	0	0	0	109.3	V788 P789 T790	V788-G804 WeakPolarHBondContact CG1-O 3.33Å; P789-G804 WeakPolarHBondContact CD-O 3.48Å; T790-G804 PolarHBondContact O-N 3.1Å
805	S	97.3	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.121	C	C	.	.			trans	-110.4	153.7	-176.4	173	0	0	0	0	111.7	D807 G808 K809	S805-D807 WeakPolarHBondContact CB-OD1 3.3Å; S805-D807 PolarHBondContact O-N 3.03Å; S805-D807 PolarHBondContact OG-N 2.96Å; S805-D807 PolarHBondContact OG-OD1 3.02Å; S805-D807 PolarHBondContact OG-OD2 2.96Å; S805-G808 PolarHBondContact O-N 2.77Å; S805-K809 PolarHBondContact N-O 3.37Å; S805-K809 VanDerWaalsContact N-O 3.09Å
806	L	95.8	Very high	96.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.1	171.6	-78.8	-169.6	0	0	0	114.1	Q448 F449 R452 D786 T787 G808 V880	Q448-L806 HydrophobicContact CB-CD1 3.97Å; F449-L806 HydrophobicContact CD1-CD1 4.46Å; F449-L806 HydrophobicContact CD1-CD2 3.71Å; F449-L806 HydrophobicContact CE1-CD1 4.42Å; F449-L806 HydrophobicContact CE1-CD2 3.52Å; F449-L806 HydrophobicContact CE1-CG 4.3Å; R452-L806 PolarHBondContact NH1-O 3.12Å; D786-L806 HydrophobicContact CB-CB 4Å; D786-L806 VanDerWaalsContact CG-CB 3.47Å; D786-L806 WeakPolarHBondContact OD1-CB 3.46Å; T787-L806 WeakPolarHBondContact O-CB 3.21Å; T787-L806 PolarHBondContact O-N 3.08Å; L806-G808 PolarHBondContact O-N 2.82Å; L806-G808 VanDerWaalsContact O-N 3.11Å; L806-V880 HydrophobicContact CD2-CG1 3.77Å
807	D	95.3	Very high	97.1	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.032	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	5.3	170.8	65.8	18.2	0	0	0	114.2	N785 D786 S805 K809 R811 K878	N785-D807 HydrophobicContact CB-CB 4.36Å; D786-D807 HydrophobicContact CB-CB 3.93Å; S805-D807 WeakPolarHBondContact CB-OD1 3.3Å; S805-D807 PolarHBondContact O-N 3.03Å; S805-D807 PolarHBondContact OG-N 2.96Å; S805-D807 PolarHBondContact OG-OD1 3.02Å; S805-D807 PolarHBondContact OG-OD2 2.96Å; D807-K809 VanDerWaalsContact C-N 3.31Å; D807-K809 WeakPolarHBondContact OD1-CA 3.45Å; D807-K809 VanDerWaalsContact OD1-CB 3.22Å; D807-K809 WeakPolarHBondContact OD1-CB 3.16Å; D807-K809 PolarHBondContact OD1-N 2.49Å; D807-R811 IonicContact OD1-CZ 3.91Å; D807-R811 IonicContact OD1-NH1 3.57Å; D807-R811 PolarHBondContact OD1-NH1 3.22Å; D807-R811 VanDerWaalsContact OD1-NH1 3.14Å; D807-R811 IonicContact OD1-NH2 3.32Å; D807-R811 IonicContact OD2-CZ 3.37Å; D807-R811 VanDerWaalsContact OD2-CZ 3.23Å; D807-R811 IonicContact OD2-NH1 3.52Å; D807-R811 PolarHBondContact OD2-NH1 3.06Å; D807-R811 IonicContact OD2-NH2 2.72Å; D807-R811 PolarHBondContact OD2-NH2 3.32Å; D807-K878 WeakPolarHBondContact O-CD 3.38Å; D807-K878 PolarHBondContact O-NZ 3.46Å
808	G	94.6	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	81.8	3.4	179.8	0	0	0	0	0	114.1	S805 L806 V826	S805-G808 PolarHBondContact O-N 2.77Å; L806-G808 PolarHBondContact O-N 2.82Å; L806-G808 VanDerWaalsContact O-N 3.11Å; G808-V826 PolarHBondContact O-N 2.72Å
809	K	97.2	Very high	97.3	Very high	48 Å²	48	37.1 Å²	37.1	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.6	-174.5	-55.1	178.8	177.6	-168.8	0	112.5	S805 D807 W823 V824	S805-K809 PolarHBondContact N-O 3.37Å; S805-K809 VanDerWaalsContact N-O 3.09Å; D807-K809 VanDerWaalsContact C-N 3.31Å; D807-K809 WeakPolarHBondContact OD1-CA 3.45Å; D807-K809 VanDerWaalsContact OD1-CB 3.22Å; D807-K809 WeakPolarHBondContact OD1-CB 3.16Å; D807-K809 PolarHBondContact OD1-N 2.49Å; K809-W823 HydrophobicContact CD-CE3 3.92Å; K809-W823 HydrophobicContact CD-CZ3 4.05Å; K809-W823 HydrophobicContact CG-CE3 4.32Å; K809-W823 HydrophobicContact CG-CZ3 4.5Å; K809-V824 WeakPolarHBondContact CA-O 2.93Å
810	L	98.1	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.4	169	-173.7	71.8	0	0	0	108.4	L802 W823 V824 V826 A884 V893 V895 F905 L909	L802-L810 HydrophobicContact CD1-CD1 3.84Å; L802-L810 HydrophobicContact CD1-CD2 4.37Å; L802-L810 HydrophobicContact CD1-CG 3.89Å; L802-L810 HydrophobicContact CD2-CD1 4.2Å; L802-L810 HydrophobicContact CG-CD1 4.01Å; L810-W823 CarbonylContact O-C 3.56Å; L810-W823 WeakPolarHBondContact O-CA 3.32Å; L810-W823 WeakPolarHBondContact O-CB 3.16Å; L810-V824 HydrophobicContact CB-CG1 3.92Å; L810-V824 HydrophobicContact CD2-CG1 4.18Å; L810-V824 PolarHBondContact N-O 3.17Å; L810-V824 PolarHBondContact O-N 2.84Å; L810-V826 HydrophobicContact CB-CG2 4.13Å; L810-A884 HydrophobicContact CD1-CB 4.1Å; L810-V893 HydrophobicContact CD2-CG1 3.91Å; L810-V895 HydrophobicContact CD1-CG2 4.05Å; L810-V895 HydrophobicContact CD2-CG2 3.77Å; L810-F905 HydrophobicContact CD2-CD2 4.24Å; L810-F905 HydrophobicContact CD2-CE2 4.41Å; L810-F905 HydrophobicContact CD2-CG 4.49Å; L810-L909 HydrophobicContact CD2-CD1 4.5Å; L810-L909 HydrophobicContact CD2-CD2 3.81Å; L810-L909 HydrophobicContact CG-CD1 4.35Å; L810-L909 HydrophobicContact CG-CD2 4.3Å
811	R	98.5	Very high	97.3	Very high	22 Å²	22	37.9 Å²	37.9	8%	0.083	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132	-176.2	-63.2	176	179.4	82.9	-9.8	111.3	H784 L802 S803 D807 V820 F822 W823	H784-R811 PolarHBondContact ND1-NH1 2.79Å; L802-R811 CarbonylContact C-O 3.55Å; L802-R811 WeakPolarHBondContact CA-O 3.45Å; S803-R811 PolarHBondContact N-O 2.8Å; S803-R811 PolarHBondContact O-N 3.47Å; S803-R811 PolarHBondContact OG-O 3.11Å; D807-R811 IonicContact OD1-CZ 3.91Å; D807-R811 IonicContact OD1-NH1 3.57Å; D807-R811 PolarHBondContact OD1-NH1 3.22Å; D807-R811 VanDerWaalsContact OD1-NH1 3.14Å; D807-R811 IonicContact OD1-NH2 3.32Å; D807-R811 IonicContact OD2-CZ 3.37Å; D807-R811 VanDerWaalsContact OD2-CZ 3.23Å; D807-R811 IonicContact OD2-NH1 3.52Å; D807-R811 PolarHBondContact OD2-NH1 3.06Å; D807-R811 IonicContact OD2-NH2 2.72Å; D807-R811 PolarHBondContact OD2-NH2 3.32Å; R811-V820 HydrophobicContact CB-CG1 4.15Å; R811-V820 HydrophobicContact CG-CG1 4.25Å; R811-F822 WeakPolarHBondContact CA-O 3.32Å; R811-W823 HydrophobicContact CB-CB 4.49Å; R811-W823 HydrophobicContact CG-CB 3.84Å
812	L	98.5	Very high	97.3	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.1	165.6	-173	73.9	0	0	0	108.4	R821 F822 F886 L909	L812-R821 PolarHBondContact O-N 2.76Å; L812-F822 HydrophobicContact CB-CB 4.38Å; L812-F822 HydrophobicContact CD2-CD2 3.91Å; L812-F822 PolarHBondContact N-O 2.85Å; L812-F822 PolarHBondContact O-N 3.16Å; L812-F886 HydrophobicContact CD1-CE1 4.47Å; L812-F886 HydrophobicContact CD1-CZ 3.81Å; L812-L909 HydrophobicContact CB-CD1 4.16Å
813	W	98.5	Very high	97.2	Very high	19 Å²	19	47.6 Å²	47.6	7%	0.072	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143.8	-176.6	-67	89.3	0	0	0	111.6	F782 H784 Y800 F801 S803 V820	F782-W813 HydrophobicContact CB-CE3 4.47Å; F782-W813 HydrophobicContact CB-CH2 4.3Å; F782-W813 HydrophobicContact CB-CZ2 4.45Å; F782-W813 HydrophobicContact CB-CZ3 4.31Å; F782-W813 HydrophobicContact CD1-CD2 4.23Å; F782-W813 AromaticContact CD1-CE3 3.68Å; F782-W813 HydrophobicContact CD1-CE3 3.68Å; F782-W813 AromaticContact CD1-CZ3 3.99Å; F782-W813 HydrophobicContact CD1-CZ3 3.99Å; F782-W813 HydrophobicContact CE1-CE3 4.41Å; F782-W813 HydrophobicContact CG-CE3 4.47Å; H784-W813 AromaticContact CE1-CE2 3.87Å; H784-W813 AromaticContact CE1-CZ2 3.59Å; H784-W813 AromaticContact CE1-NE1 3.55Å; H784-W813 AromaticContact NE2-CE2 3.67Å; H784-W813 AromaticContact NE2-CZ2 3.4Å; H784-W813 WeakPolarHBondContact NE2-CZ2 3.35Å; H784-W813 AromaticContact NE2-NE1 3.48Å; H784-W813 PolarHBondContact NE2-NE1 3.11Å; Y800-W813 WeakPolarHBondContact CA-O 3.5Å; Y800-W813 WeakPolarHBondContact CD1-O 3.31Å; F801-W813 HydrophobicContact CD1-CB 3.66Å; F801-W813 HydrophobicContact CD1-CG 4.37Å; F801-W813 HydrophobicContact CD2-CB 4.39Å; F801-W813 AromaticContact CD2-CD1 3.9Å; F801-W813 HydrophobicContact CD2-CG 4.4Å; F801-W813 HydrophobicContact CE1-CB 3.27Å; F801-W813 AromaticContact CE1-CG 3.71Å; F801-W813 HydrophobicContact CE1-CG 3.71Å; F801-W813 HydrophobicContact CE2-CB 4.05Å; F801-W813 AromaticContact CE2-CD1 3.26Å; F801-W813 AromaticContact CE2-CG 3.73Å; F801-W813 HydrophobicContact CE2-CG 3.73Å; F801-W813 AromaticContact CE2-NE1 3.83Å; F801-W813 HydrophobicContact CG-CB 4.22Å; F801-W813 HydrophobicContact CZ-CB 3.49Å; F801-W813 VanDerWaalsContact CZ-CB 3.49Å; F801-W813 AromaticContact CZ-CD1 3.4Å; F801-W813 AromaticContact CZ-CD2 3.96Å; F801-W813 HydrophobicContact CZ-CD2 3.96Å; F801-W813 AromaticContact CZ-CG 3.34Å; F801-W813 HydrophobicContact CZ-CG 3.34Å; F801-W813 AromaticContact CZ-NE1 3.98Å; F801-W813 PolarHBondContact N-O 3.04Å; F801-W813 PolarHBondContact O-N 2.9Å; S803-W813 VanDerWaalsContact OG-CD1 3.26Å; S803-W813 PolarHBondContact OG-NE1 3.16Å; W813-V820 HydrophobicContact CD2-CG2 3.81Å; W813-V820 HydrophobicContact CE3-CB 4.44Å; W813-V820 HydrophobicContact CE3-CG2 3.6Å; W813-V820 HydrophobicContact CH2-CG2 3.43Å; W813-V820 VanDerWaalsContact CH2-CG2 3.43Å; W813-V820 HydrophobicContact CZ2-CG2 3.64Å; W813-V820 HydrophobicContact CZ3-CG2 3.41Å; W813-V820 VanDerWaalsContact CZ3-CG2 3.41Å
814	N	98	Very high	97.1	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.102	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.1	164.2	-178.1	-32.5	0	0	0	108.5	Y800 P816 D817 K818 K819	Y800-N814 HydrophobicContact CD1-CB 4.19Å; Y800-N814 HydrophobicContact CE1-CB 3.82Å; N814-P816 WeakPolarHBondContact OD1-CD 3.49Å; N814-D817 HydrophobicContact CB-CB 4.22Å; N814-D817 PolarHBondContact ND2-OD2 3.38Å; N814-D817 PolarHBondContact OD1-N 3.33Å; N814-K818 WeakPolarHBondContact O-CA 3.31Å; N814-K818 PolarHBondContact O-N 3.5Å; N814-K819 PolarHBondContact N-O 2.84Å; N814-K819 PolarHBondContact O-N 3.21Å
815	I	97.6	Very high	97	Very high	24 Å²	24	53.6 Å²	53.6	12%	0.123	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-54.5	-174.6	-68.6	163.5	0	0	0	111.9	L770 F782 F793 D798 R799 F801 D817 K818	L770-I815 HydrophobicContact CD2-CG2 3.64Å; F782-I815 HydrophobicContact CZ-CB 4.35Å; F782-I815 HydrophobicContact CZ-CG1 4.06Å; F782-I815 HydrophobicContact CZ-CG2 4.26Å; F793-I815 HydrophobicContact CD1-CD1 4.34Å; F793-I815 HydrophobicContact CE1-CD1 3.64Å; D798-I815 WeakPolarHBondContact O-CD1 3.43Å; R799-I815 WeakPolarHBondContact O-CB 3.47Å; R799-I815 PolarHBondContact O-N 3.35Å; F801-I815 HydrophobicContact CD1-CD1 3.75Å; F801-I815 HydrophobicContact CD1-CG1 3.5Å; F801-I815 VanDerWaalsContact CD1-CG1 3.5Å; F801-I815 HydrophobicContact CE1-CD1 4.43Å; F801-I815 HydrophobicContact CE1-CG1 3.77Å; I815-D817 VanDerWaalsContact C-N 3.28Å; I815-D817 PolarHBondContact O-N 3.42Å; I815-K818 WeakPolarHBondContact O-CG 3.06Å; I815-K818 PolarHBondContact O-N 3.49Å; I815-K818 VanDerWaalsContact O-N 3.09Å
816	P	96.7	Very high	96.9	Very high	85 Å²	85	53.6 Å²	53.6	55%	0.552	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-44.8	176.1	-28.6	31.6	0	0	0	113.8	R799 N814 K818	R799-P816 HydrophobicContact CB-CG 4.44Å; R799-P816 HydrophobicContact CG-CG 4.28Å; N814-P816 WeakPolarHBondContact OD1-CD 3.49Å; P816-K818 VanDerWaalsContact C-N 3.25Å; P816-K818 PolarHBondContact O-N 2.98Å
817	D	96.5	Very high	96.6	Very high	102 Å²	102	55 Å²	55	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.8	-176.7	-62.6	-19.2	0	0	0	112.9	N814 I815 K819	N814-D817 HydrophobicContact CB-CB 4.22Å; N814-D817 PolarHBondContact ND2-OD2 3.38Å; N814-D817 PolarHBondContact OD1-N 3.33Å; I815-D817 VanDerWaalsContact C-N 3.28Å; I815-D817 PolarHBondContact O-N 3.42Å; D817-K819 HydrophobicContact CB-CB 4.38Å; D817-K819 WeakPolarHBondContact O-CG 3.32Å; D817-K819 PolarHBondContact O-N 3.48Å
818	K	95.9	Very high	95.9	Very high	131 Å²	131	56 Å²	56	57%	0.57	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35	-175	-56.6	-177.4	179.8	-178.4	0	113.3	C780 N814 I815 P816	C780-K818 VanDerWaalsContact SG-CE 3.58Å; N814-K818 WeakPolarHBondContact O-CA 3.31Å; N814-K818 PolarHBondContact O-N 3.5Å; I815-K818 WeakPolarHBondContact O-CG 3.06Å; I815-K818 PolarHBondContact O-N 3.49Å; I815-K818 VanDerWaalsContact O-N 3.09Å; P816-K818 VanDerWaalsContact C-N 3.25Å; P816-K818 PolarHBondContact O-N 2.98Å
819	K	96.3	Very high	94.5	Very high	150 Å²	150	59.9 Å²	59.9	65%	0.652	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.5	-172.4	-78.8	172.8	-175.8	179.3	0	111.9	N814 D817 R821	N814-K819 PolarHBondContact N-O 2.84Å; N814-K819 PolarHBondContact O-N 3.21Å; D817-K819 HydrophobicContact CB-CB 4.38Å; D817-K819 WeakPolarHBondContact O-CG 3.32Å; D817-K819 PolarHBondContact O-N 3.48Å; K819-R821 PolarHBondContact O-N 3.37Å
820	V	98	Very high	92.8	Very high	50 Å²	50	62.5 Å²	62.5	30%	0.303	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.1	168.1	-178.1	0	0	0	0	108.2	R811 W813 F822 W823	R811-V820 HydrophobicContact CB-CG1 4.15Å; R811-V820 HydrophobicContact CG-CG1 4.25Å; W813-V820 HydrophobicContact CD2-CG2 3.81Å; W813-V820 HydrophobicContact CE3-CB 4.44Å; W813-V820 HydrophobicContact CE3-CG2 3.6Å; W813-V820 HydrophobicContact CH2-CG2 3.43Å; W813-V820 VanDerWaalsContact CH2-CG2 3.43Å; W813-V820 HydrophobicContact CZ2-CG2 3.64Å; W813-V820 HydrophobicContact CZ3-CG2 3.41Å; W813-V820 VanDerWaalsContact CZ3-CG2 3.41Å; V820-F822 VanDerWaalsContact CG1-O 3.3Å; V820-F822 WeakPolarHBondContact CG1-O 3.42Å; V820-W823 HydrophobicContact CG1-CB 3.93Å; V820-W823 HydrophobicContact CG1-CG 4.41Å
821	R	97	Very high	90.8	Very high	127 Å²	127	65.9 Å²	65.9	48%	0.479	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-51.6	175.4	-178.3	175.9	176.8	-171.4	2	111.4	Y800 L812 K819	Y800-R821 VanDerWaalsContact CE1-CD 3.44Å; Y800-R821 PolarHBondContact OH-NH1 2.85Å; Y800-R821 VanDerWaalsContact OH-NH1 3.16Å; L812-R821 PolarHBondContact O-N 2.76Å; K819-R821 PolarHBondContact O-N 3.37Å
822	F	97.5	Very high	88.6	Confident	61 Å²	61	66.4 Å²	66.4	27%	0.268	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.6	175.8	-61.4	-63.9	0	0	0	109.5	R811 L812 V820 E908 L909	R811-F822 WeakPolarHBondContact CA-O 3.32Å; L812-F822 HydrophobicContact CB-CB 4.38Å; L812-F822 HydrophobicContact CD2-CD2 3.91Å; L812-F822 PolarHBondContact N-O 2.85Å; L812-F822 PolarHBondContact O-N 3.16Å; V820-F822 VanDerWaalsContact CG1-O 3.3Å; V820-F822 WeakPolarHBondContact CG1-O 3.42Å; F822-E908 HydrophobicContact CD2-CB 4.45Å; F822-E908 HydrophobicContact CE2-CB 4.33Å; F822-E908 HydrophobicContact CE2-CG 4.11Å; F822-E908 HydrophobicContact CZ-CB 4.42Å; F822-E908 HydrophobicContact CZ-CG 4.16Å; F822-L909 HydrophobicContact CB-CD1 3.96Å; F822-L909 HydrophobicContact CB-CG 4.13Å; F822-L909 WeakPolarHBondContact O-CD1 3.1Å
823	W	97.5	Very high	85.4	Confident	145 Å²	145	72.2 Å²	72.2	55%	0.549	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152	168.3	68.8	-87.2	0	0	0	110.9	K809 L810 R811 V820 E825	K809-W823 HydrophobicContact CD-CE3 3.92Å; K809-W823 HydrophobicContact CD-CZ3 4.05Å; K809-W823 HydrophobicContact CG-CE3 4.32Å; K809-W823 HydrophobicContact CG-CZ3 4.5Å; L810-W823 CarbonylContact O-C 3.56Å; L810-W823 WeakPolarHBondContact O-CA 3.32Å; L810-W823 WeakPolarHBondContact O-CB 3.16Å; R811-W823 HydrophobicContact CB-CB 4.49Å; R811-W823 HydrophobicContact CG-CB 3.84Å; V820-W823 HydrophobicContact CG1-CB 3.93Å; V820-W823 HydrophobicContact CG1-CG 4.41Å; W823-E825 HydrophobicContact CZ3-CB 4.46Å
824	V	97.2	Very high	82.4	Confident	33 Å²	33	77 Å²	77	20%	0.2	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144	175.3	68.3	0	0	0	0	109.5	K809 L810 F905 L909	K809-V824 WeakPolarHBondContact CA-O 2.93Å; L810-V824 HydrophobicContact CB-CG1 3.92Å; L810-V824 HydrophobicContact CD2-CG1 4.18Å; L810-V824 PolarHBondContact N-O 3.17Å; L810-V824 PolarHBondContact O-N 2.84Å; V824-F905 HydrophobicContact CG1-CD1 4.13Å; V824-F905 HydrophobicContact CG1-CE1 3.84Å; V824-F905 HydrophobicContact CG1-CZ 4.5Å; V824-F905 HydrophobicContact CG2-CE1 4.37Å; V824-L909 HydrophobicContact CB-CB 4.12Å; V824-L909 WeakPolarHBondContact CB-O 3.45Å; V824-L909 HydrophobicContact CG1-CB 3.72Å; V824-L909 WeakPolarHBondContact CG1-O 3.44Å
825	E	96.1	Very high	78.9	Confident	92 Å²	92	80.9 Å²	80.9	43%	0.43	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.1	168.1	-174.7	157.5	-161.9	0	0	109.2	W823 P827	W823-E825 HydrophobicContact CZ3-CB 4.46Å; E825-P827 WeakPolarHBondContact O-CD 3.42Å
826	V	94.8	Very high	75.6	Confident	1 Å²	1	85.3 Å²	85.3	1%	0.006	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-73.4	121.3	-171.9	178.3	0	0	0	0	109.9	G808 L810 V828 T879 I881 L903 F905	G808-V826 PolarHBondContact O-N 2.72Å; L810-V826 HydrophobicContact CB-CG2 4.13Å; V826-V828 PolarHBondContact O-N 3.46Å; V826-T879 HydrophobicContact CB-CG2 4.4Å; V826-T879 HydrophobicContact CG1-CG2 3.77Å; V826-T879 WeakPolarHBondContact O-CB 3.26Å; V826-T879 PolarHBondContact O-OG1 3.19Å; V826-I881 HydrophobicContact CB-CD1 4.35Å; V826-I881 HydrophobicContact CB-CG1 4.42Å; V826-I881 HydrophobicContact CG2-CD1 3.54Å; V826-I881 HydrophobicContact CG2-CG1 4.01Å; V826-L903 HydrophobicContact CG1-CD1 4.33Å; V826-L903 HydrophobicContact CG1-CD2 3.9Å; V826-F905 HydrophobicContact CG1-CZ 4.39Å; V826-F905 HydrophobicContact CG2-CZ 4.3Å
827	P	88.5	Confident	72.3	Confident	31 Å²	31	88.5 Å²	88.5	20%	0.201	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-55.4	129	-171.7	-27.6	34	0	0	0	114.4	E825 L832 T879 R901 Y911	E825-P827 WeakPolarHBondContact O-CD 3.42Å; P827-L832 HydrophobicContact CB-CD2 3.96Å; P827-T879 VanDerWaalsContact C-OG1 3.32Å; P827-T879 PolarHBondContact O-OG1 2.62Å; P827-R901 PolarHBondContact O-NH1 2.72Å; P827-R901 PolarHBondContact O-NH2 2.72Å; P827-Y911 HydrophobicContact CG-CD2 4.32Å
828	V	80.4	Confident	69	Low	28 Å²	28	88.7 Å²	88.7	17%	0.17	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-76.2	152.8	176.3	-59.3	0	0	0	0	110.4	V826 S830 A831 P877 T879	V826-V828 PolarHBondContact O-N 3.46Å; V828-S830 PolarHBondContact O-N 2.68Å; V828-S830 VanDerWaalsContact O-N 3.11Å; V828-A831 HydrophobicContact CG2-CB 3.69Å; V828-A831 PolarHBondContact O-N 3.09Å; V828-P877 WeakPolarHBondContact CG1-O 3.07Å; V828-T879 WeakPolarHBondContact CA-OG1 3.33Å; V828-T879 PolarHBondContact N-OG1 3.04Å
829	P	66.6	Low	65.9	Low	81 Å²	81	87.7 Å²	87.7	53%	0.526	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-54.2	-34.1	-175.5	-27.9	35.5	0	0	0	114.9
830	S	60.8	Low	62.8	Low	103 Å²	103	86 Å²	86	72%	0.72	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-77.7	-14.8	-179.1	50	0	0	0	0	114.7	V828	V828-S830 PolarHBondContact O-N 2.68Å; V828-S830 VanDerWaalsContact O-N 3.11Å
831	A	56.3	Low	59.4	Low	71 Å²	71	89.9 Å²	89.9	59%	0.587	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-94.3	-1.1	-177	0	0	0	0	0	113.5	V828	V828-A831 HydrophobicContact CG2-CB 3.69Å; V828-A831 PolarHBondContact O-N 3.09Å
832	L	51.1	Low	56.1	Low	32 Å²	32	91.5 Å²	91.5	17%	0.168	55%	0.553	C	S	.	*	S	Bend	trans	-89.3	137.9	176.9	-63.6	175.2	0	0	0	109.8	P827 V834 F914	P827-L832 HydrophobicContact CB-CD2 3.96Å; L832-V834 PolarHBondContact O-N 2.93Å; L832-F914 HydrophobicContact CD1-CD1 4.28Å; L832-F914 HydrophobicContact CD1-CE1 3.79Å; L832-F914 HydrophobicContact CD1-CZ 4.05Å
833	P	33	Very low	52.7	Low	131 Å²	131	94.8 Å²	94.8	85%	0.851	58%	0.578	S	S	*	*			trans	-59.8	115.8	179	22.3	-30.9	0	0	0	110.1	S835	P833-S835 PolarHBondContact O-N 2.88Å
834	V	33.9	Very low	49.3	Very low	121 Å²	121	93 Å²	93	73%	0.733	58%	0.583	S	S	*	*			trans	-78.1	116.6	169.5	-179.4	0	0	0	0	106.6	L832 T836	L832-V834 PolarHBondContact O-N 2.93Å; V834-T836 PolarHBondContact O-N 2.77Å
835	S	26	Very low	45.9	Very low	100 Å²	100	95.9 Å²	95.9	70%	0.699	61%	0.611	S	S	*	*			trans	-66	102.2	166.4	51.3	0	0	0	0	108.5	P833 N837	P833-S835 PolarHBondContact O-N 2.88Å; S835-N837 VanDerWaalsContact C-N 3.28Å; S835-N837 PolarHBondContact O-N 2.84Å
836	T	27.1	Very low	42.5	Very low	117 Å²	117	99 Å²	99	72%	0.718	63%	0.63	S	S	*	*			trans	-72.3	87.8	167	50.4	0	0	0	0	107.8	V834 S838	V834-T836 PolarHBondContact O-N 2.77Å; T836-S838 PolarHBondContact O-N 3.31Å
837	N	28.9	Very low	39	Very low	151 Å²	151	105.3 Å²	105.3	81%	0.807	66%	0.658	S	S	*	*			trans	-69.4	86.3	163.5	-85.5	4.3	0	0	0	108.4	S835 S839	S835-N837 VanDerWaalsContact C-N 3.28Å; S835-N837 PolarHBondContact O-N 2.84Å; N837-S839 PolarHBondContact O-N 3.18Å
838	S	26.8	Very low	36.1	Very low	107 Å²	107	114 Å²	114	75%	0.748	69%	0.693	S	S	*	*			trans	-90.6	80.5	166.9	55.6	0	0	0	0	109.8	T836	T836-S838 PolarHBondContact O-N 3.31Å
839	S	29.5	Very low	33.3	Very low	109 Å²	109	119.1 Å²	119.1	76%	0.762	73%	0.725	S	S	*	*			trans	-171	70.4	157.5	51	0	0	0	0	111.8	N837	N837-S839 PolarHBondContact O-N 3.18Å
840	S	31.4	Very low	31.3	Very low	116 Å²	116	125.9 Å²	125.9	81%	0.811	74%	0.74	S	S	*	*	S	Bend	trans	-155.1	90.3	151.3	-77.3	0	0	0	0	107.7
841	T	27.4	Very low	29.6	Very low	130 Å²	130	125.9 Å²	125.9	80%	0.798	74%	0.74	S	S	*	*			trans	22.1	101.8	154.5	48.7	0	0	0	0	117.9	T843	T841-T843 PolarHBondContact O-N 3.2Å
842	N	27.3	Very low	28.1	Very low	161 Å²	161	129.5 Å²	129.5	86%	0.861	75%	0.749	S	S	*	*			trans	28.5	87.5	134.6	-65.4	-25.3	0	0	0	116.9
843	T	26.4	Very low	27.3	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	77%	0.772	S	S	*	*			trans	-153.9	93.4	139.5	-55.6	0	0	0	0	109.5	T841	T841-T843 PolarHBondContact O-N 3.2Å
844	V	26.2	Very low	26.9	Very low	107 Å²	107	136.5 Å²	136.5	65%	0.648	77%	0.771	S	S	*	*			trans	59.1	77.5	145.9	-163.1	0	0	0	0	116.9	F847	V844-F847 HydrophobicContact CG1-CD2 3.42Å; V844-F847 VanDerWaalsContact CG1-CD2 3.42Å; V844-F847 HydrophobicContact CG1-CE2 3.54Å
845	A	25.6	Very low	26.6	Very low	95 Å²	95	137.3 Å²	137.3	79%	0.785	78%	0.776	S	S	*	*			trans	-129.7	62.4	154.8	0	0	0	0	0	109.3
846	N	24.3	Very low	26.4	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	78%	0.78	S	S	*	*			trans	-151.9	75.2	164.6	-92.3	-18.6	0	0	0	107.9
847	F	22.7	Very low	26.2	Very low	134 Å²	134	135.5 Å²	135.5	59%	0.588	78%	0.78	S	S	*	*			trans	-137	71.9	165.9	-86.8	-74.5	0	0	0	108.9	V844	V844-F847 HydrophobicContact CG1-CD2 3.42Å; V844-F847 VanDerWaalsContact CG1-CD2 3.42Å; V844-F847 HydrophobicContact CG1-CE2 3.54Å
848	F	25.6	Very low	25.8	Very low	213 Å²	213	135.8 Å²	135.8	93%	0.934	78%	0.777	S	S	*	*	S	Bend	trans	-140.2	51.1	160.2	-83.6	-71.2	0	0	0	110.6
849	T	23.6	Very low	25.8	Very low	136 Å²	136	140.6 Å²	140.6	83%	0.834	78%	0.78	S	S	*	*			trans	-163.7	68.9	155.7	45.1	0	0	0	0	108.6	S851	T849-S851 PolarHBondContact O-N 3.09Å
850	R	23	Very low	25.3	Very low	223 Å²	223	141.4 Å²	141.4	84%	0.842	78%	0.781	S	S	*	*			trans	-88.2	84.1	167.9	-132.9	-178	-171.2	-154.1	3	108.1
851	S	26.1	Very low	24.9	Very low	103 Å²	103	142 Å²	142	72%	0.72	78%	0.779	S	S	*	*			trans	-64.3	137.5	158.4	44.3	0	0	0	0	108.6	T849	T849-S851 PolarHBondContact O-N 3.09Å
852	N	23.8	Very low	24.6	Very low	146 Å²	146	140.8 Å²	140.8	78%	0.781	78%	0.776	S	S	*	*			trans	-62.3	125.2	-178.9	-163.9	21.6	0	0	0	110.2	Y854	N852-Y854 PolarHBondContact O-N 2.69Å
853	P	35.7	Very low	24.4	Very low	101 Å²	101	141.1 Å²	141.1	66%	0.656	78%	0.777	S	S	*	*			trans	-95.6	71.5	-170	36.8	-33	0	0	0	111.6
854	Y	24.2	Very low	24.3	Very low	209 Å²	209	140.8 Å²	140.8	82%	0.82	78%	0.777	S	S	*	*			trans	-152.1	62	166.3	-78.8	-74.2	0	0	0	112.2	N852	N852-Y854 PolarHBondContact O-N 2.69Å
855	T	26.4	Very low	24.2	Very low	139 Å²	139	138.8 Å²	138.8	85%	0.853	78%	0.778	S	S	*	*			trans	-147.4	111.5	150.1	49.6	0	0	0	0	106.7
856	G	21.9	Very low	24.3	Very low	75 Å²	75	142.3 Å²	142.3	77%	0.773	78%	0.783	S	S	*	*			trans	-74.5	176.8	-174.6	0	0	0	0	0	114.4
857	S	22.8	Very low	24.2	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	78%	0.78	S	S	*	*			trans	87.3	101.3	159.6	-154.5	0	0	0	0	117.6
858	Q	21.2	Very low	24.7	Very low	156 Å²	156	138.7 Å²	138.7	73%	0.729	79%	0.787	S	S	*	*				34.5	121.3	125.6	-50.9	-161.2	7.1	0	0	117.3
859	Y	26.7	Very low	24.7	Very low	208 Å²	208	138.3 Å²	138.3	82%	0.816	78%	0.784	S	S	*	*				-170.3	132.9	105.2	-88.3	-69.6	0	0	0	109.9
860	T	18.7	Very low	24.8	Very low	127 Å²	127	134.7 Å²	134.7	78%	0.779	77%	0.774	S	S	*	*			trans	-68.7	124.2	166.3	54.7	0	0	0	0	109.5
861	T	23.7	Very low	25.1	Very low	127 Å²	127	130 Å²	130	78%	0.779	78%	0.776	S	S	*	*			trans	-168.9	123.7	137	3.3	0	0	0	0	110.5	L863	T861-L863 PolarHBondContact O-N 3.15Å
862	S	21	Very low	25	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	77%	0.773	S	S	*	*			trans	-48.1	121.3	162.9	47.2	0	0	0	0	112.3
863	L	22.2	Very low	25.2	Very low	169 Å²	169	124.9 Å²	124.9	89%	0.885	77%	0.774	S	S	*	*			trans	-110.3	110	152.2	-110.5	87.6	0	0	0	109.1	T861	T861-L863 PolarHBondContact O-N 3.15Å
864	P	26.1	Very low	25	Very low	122 Å²	122	123.6 Å²	123.6	79%	0.792	78%	0.778	S	S	*	*			trans	-87.3	132.6	165.2	32.2	-25.2	0	0	0	109.5
865	G	23.9	Very low	26.2	Very low	65 Å²	65	119.5 Å²	119.5	67%	0.67	78%	0.775	S	S	*	*			trans	132.1	68.5	166.4	0	0	0	0	0	115.5
866	L	26.5	Very low	27.6	Very low	169 Å²	169	115 Å²	115	89%	0.885	76%	0.757	S	S	*	*			trans	-125.2	76.8	147.3	-123.4	85.3	0	0	0	107.9	S868	L866-S868 PolarHBondContact O-N 3.35Å
867	S	23.2	Very low	30	Very low	112 Å²	112	114.7 Å²	114.7	78%	0.783	74%	0.741	S	S	*	*			trans	-69.5	81	158.7	45.9	0	0	0	0	107.7	K869	S867-K869 PolarHBondContact O-N 2.97Å
868	S	31.9	Very low	33	Very low	104 Å²	104	113.5 Å²	113.5	73%	0.727	72%	0.723	S	S	*	*			trans	-72	77.8	167.6	64.5	0	0	0	0	108.8	L866 G870	L866-S868 PolarHBondContact O-N 3.35Å; S868-G870 PolarHBondContact O-N 2.77Å
869	K	26.2	Very low	36.3	Very low	204 Å²	204	106.4 Å²	106.4	89%	0.887	69%	0.69	S	S	*	*			trans	-65.4	66.1	145.7	-83.7	-174.3	173	179.2	0	107.7	S867	S867-K869 PolarHBondContact O-N 2.97Å
870	G	26.5	Very low	39.5	Very low	60 Å²	60	97 Å²	97	62%	0.619	65%	0.654	S	S	*	*			trans	-104.2	75.3	163.9	0	0	0	0	0	106.8	S868 G872	S868-G870 PolarHBondContact O-N 2.77Å; G870-G872 PolarHBondContact O-N 2.87Å
871	S	27.8	Very low	43.3	Very low	126 Å²	126	91 Å²	91	88%	0.881	62%	0.617	S	S	*	*			trans	-70.7	60.9	168.3	-64.9	0	0	0	0	109.9
872	G	25.4	Very low	46.8	Very low	64 Å²	64	85 Å²	85	66%	0.66	58%	0.581	S	S	*	*			trans	-85.8	113.7	152.1	0	0	0	0	0	105.6	G870 G874	G870-G872 PolarHBondContact O-N 2.87Å; G872-G874 VanDerWaalsContact C-N 3.26Å; G872-G874 PolarHBondContact O-N 2.9Å
873	G	27.8	Very low	50.4	Low	77 Å²	77	80.1 Å²	80.1	79%	0.794	55%	0.546	S	S	*	.			trans	-59.7	85.2	-178.7	0	0	0	0	0	111.6	V875	G873-V875 PolarHBondContact O-N 2.9Å; G873-V875 VanDerWaalsContact O-N 3.1Å
874	G	30.8	Very low	54	Low	73 Å²	73	72.3 Å²	72.3	75%	0.753	51%	0.506	S	S	*	.			trans	-64.8	109	174	0	0	0	0	0	108.5	G872 G876	G872-G874 VanDerWaalsContact C-N 3.26Å; G872-G874 PolarHBondContact O-N 2.9Å; G874-G876 PolarHBondContact O-N 2.84Å
875	V	49.9	Very low	57.5	Low	123 Å²	123	67.3 Å²	67.3	75%	0.745	47%	0.474	S	S	*	.			trans	-64.8	98.5	173.9	-179	0	0	0	0	107.3	G873	G873-V875 PolarHBondContact O-N 2.9Å; G873-V875 VanDerWaalsContact O-N 3.1Å
876	G	55.6	Low	61	Low	46 Å²	46	64.7 Å²	64.7	47%	0.474	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-58.5	154.9	169.4	0	0	0	0	0	110.9	G874 K878	G874-G876 PolarHBondContact O-N 2.84Å; G876-K878 PolarHBondContact O-N 3.18Å; G876-K878 VanDerWaalsContact O-N 3.17Å
877	P	72	Confident	64.3	Low	68 Å²	68	56.7 Å²	56.7	44%	0.442	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.7	120.2	-178.1	25.8	-34.1	0	0	0	110	N456 V828	N456-P877 WeakPolarHBondContact ND2-CB 3.33Å; V828-P877 WeakPolarHBondContact CG1-O 3.07Å
878	K	85.5	Confident	67.8	Low	79 Å²	79	51.8 Å²	51.8	34%	0.343	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-84	149.6	-177.3	-63.3	-173.5	171.7	-176.3	0	112.5	D807 G876 V880	D807-K878 WeakPolarHBondContact O-CD 3.38Å; D807-K878 PolarHBondContact O-NZ 3.46Å; G876-K878 PolarHBondContact O-N 3.18Å; G876-K878 VanDerWaalsContact O-N 3.17Å; K878-V880 PolarHBondContact O-N 2.88Å
879	T	91.2	Very high	70.7	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.037	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-67.4	128	174.6	-58.1	0	0	0	0	110.7	V826 P827 V828 I881 T897	V826-T879 HydrophobicContact CB-CG2 4.4Å; V826-T879 HydrophobicContact CG1-CG2 3.77Å; V826-T879 WeakPolarHBondContact O-CB 3.26Å; V826-T879 PolarHBondContact O-OG1 3.19Å; P827-T879 VanDerWaalsContact C-OG1 3.32Å; P827-T879 PolarHBondContact O-OG1 2.62Å; V828-T879 WeakPolarHBondContact CA-OG1 3.33Å; V828-T879 PolarHBondContact N-OG1 3.04Å; T879-I881 PolarHBondContact O-N 2.88Å; T879-T897 HydrophobicContact CG2-CG2 3.46Å; T879-T897 VanDerWaalsContact CG2-CG2 3.46Å
880	V	94.2	Very high	73.9	Confident	12 Å²	12	42.3 Å²	42.3	7%	0.073	32%	0.316	C	S	.	.			trans	-84.3	106.2	174.5	179	0	0	0	0	109.4	F449 R452 T453 L806 K878 T897 Y898	F449-V880 HydrophobicContact CB-CG1 4.25Å; F449-V880 HydrophobicContact CD1-CG1 3.51Å; F449-V880 HydrophobicContact CE1-CG1 4.01Å; F449-V880 HydrophobicContact CG-CG1 3.97Å; R452-V880 HydrophobicContact CB-CG2 4.03Å; T453-V880 HydrophobicContact CG2-CG2 4.09Å; L806-V880 HydrophobicContact CD2-CG1 3.77Å; K878-V880 PolarHBondContact O-N 2.88Å; V880-T897 WeakPolarHBondContact O-CA 3.44Å; V880-Y898 HydrophobicContact CG1-CG 4.42Å; V880-Y898 PolarHBondContact O-N 2.82Å
881	I	97	Very high	77.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135	174	-57.2	171.5	0	0	0	108.8	P789 T790 V826 T879 V895	P789-I881 VanDerWaalsContact CG-O 3.25Å; P789-I881 WeakPolarHBondContact CG-O 3.45Å; T790-I881 HydrophobicContact CG2-CG2 4.21Å; V826-I881 HydrophobicContact CB-CD1 4.35Å; V826-I881 HydrophobicContact CB-CG1 4.42Å; V826-I881 HydrophobicContact CG2-CD1 3.54Å; V826-I881 HydrophobicContact CG2-CG1 4.01Å; T879-I881 PolarHBondContact O-N 2.88Å; I881-V895 HydrophobicContact CG1-CG1 4.31Å; I881-V895 HydrophobicContact CG2-CG1 3.74Å
882	T	97.2	Very high	80.5	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-34.7	-177.9	57.3	0	0	0	0	112.7	F449 G896 Y898 V929	F449-T882 HydrophobicContact CD2-CG2 4.09Å; F449-T882 HydrophobicContact CE2-CG2 3.65Å; F449-T882 HydrophobicContact CZ-CG2 4Å; T882-G896 PolarHBondContact N-O 3.18Å; T882-G896 PolarHBondContact OG1-O 2.81Å; T882-Y898 HydrophobicContact CG2-CD2 4.38Å; T882-V929 VanDerWaalsContact CB-O 3.3Å; T882-V929 WeakPolarHBondContact CB-O 3.46Å; T882-V929 PolarHBondContact OG1-O 3.02Å
883	C	98.1	Very high	84	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	152	177.8	56.7	0	0	0	0	110.2	V895 G896 A931 I932	C883-V895 WeakPolarHBondContact O-CA 3.24Å; C883-G896 PolarHBondContact N-O 2.85Å; C883-G896 PolarHBondContact O-N 2.92Å; C883-A931 VanDerWaalsContact SG-C 3.57Å; C883-I932 VanDerWaalsContact SG-CG1 3.57Å; C883-I932 PolarHBondContact SG-N 3.22Å
884	A	98.2	Very high	87.4	Confident	6 Å²	6	32.5 Å²	32.5	5%	0.05	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.2	172.9	0	0	0	0	0	110.6	T790 L802 L810 V894 V895	T790-A884 HydrophobicContact CG2-CB 3.75Å; T790-A884 VanDerWaalsContact CG2-N 3.34Å; T790-A884 PolarHBondContact OG1-N 3.32Å; L802-A884 HydrophobicContact CD2-CB 3.85Å; L810-A884 HydrophobicContact CD1-CB 4.1Å; A884-V894 CarbonylContact C-O 3.58Å; A884-V894 VanDerWaalsContact CA-O 3.24Å; A884-V894 WeakPolarHBondContact CA-O 3.13Å; A884-V895 HydrophobicContact CB-CG2 4.22Å
885	T	97.8	Very high	90.6	Very high	17 Å²	17	29 Å²	29	10%	0.104	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.4	175.2	-171.7	0	0	0	0	111	V894 I932	T885-V894 HydrophobicContact CG2-CB 4.32Å; T885-V894 PolarHBondContact N-O 2.78Å; T885-V894 PolarHBondContact O-N 2.97Å; T885-I932 HydrophobicContact CG2-CB 4.21Å; T885-I932 HydrophobicContact CG2-CG2 3.61Å
886	F	97.9	Very high	92.8	Very high	10 Å²	10	23.2 Å²	23.2	4%	0.044	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	148.8	163.7	-67.4	-81.1	0	0	0	110.8	V792 H794 P795 L802 L812 K892 V893	V792-F886 HydrophobicContact CG1-CD2 3.82Å; V792-F886 HydrophobicContact CG1-CE2 3.88Å; H794-F886 HydrophobicContact CB-CE2 4.17Å; H794-F886 HydrophobicContact CB-CZ 4.25Å; H794-F886 AromaticContact CD2-CE1 3.72Å; H794-F886 AromaticContact CD2-CZ 3.81Å; P795-F886 HydrophobicContact CG-CB 4.09Å; P795-F886 HydrophobicContact CG-CG 4.41Å; L802-F886 HydrophobicContact CB-CE2 3.68Å; L802-F886 HydrophobicContact CB-CZ 3.76Å; L802-F886 HydrophobicContact CD2-CE2 4.38Å; L802-F886 HydrophobicContact CD2-CZ 4.4Å; L802-F886 HydrophobicContact CG-CZ 4.5Å; L812-F886 HydrophobicContact CD1-CE1 4.47Å; L812-F886 HydrophobicContact CD1-CZ 3.81Å; F886-K892 CarbonylContact C-O 3.59Å; F886-K892 WeakPolarHBondContact CA-O 3.36Å; F886-V893 HydrophobicContact CD1-CG2 3.67Å; F886-V893 HydrophobicContact CE1-CG2 3.55Å; F886-V893 HydrophobicContact CZ-CG2 4.49Å
887	A	96.7	Very high	94.7	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	170.9	172.8	0	0	0	0	0	110.2	E889 G890 T891 K892 V894 I942 A956	A887-E889 PolarHBondContact O-N 3.13Å; A887-G890 PolarHBondContact O-N 2.83Å; A887-T891 PolarHBondContact O-N 2.87Å; A887-K892 HydrophobicContact CB-CB 4.45Å; A887-K892 PolarHBondContact N-O 2.81Å; A887-K892 PolarHBondContact O-N 3.44Å; A887-K892 VanDerWaalsContact O-N 3.13Å; A887-V894 HydrophobicContact CB-CG2 3.6Å; A887-I942 HydrophobicContact CB-CG2 3.97Å; A887-A956 HydrophobicContact CB-CB 4.22Å
888	C	95.2	Very high	95.7	Very high	9 Å²	9	19.6 Å²	19.6	6%	0.061	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	49	58.1	-179.6	-61.1	0	0	0	0	111.4	G890 T891 K892 S939 N940	C888-G890 PolarHBondContact O-N 3.02Å; C888-G890 VanDerWaalsContact O-N 3.08Å; C888-T891 WeakPolarHBondContact CB-OG1 3.25Å; C888-T891 WeakPolarHBondContact O-CB 3.26Å; C888-T891 WeakPolarHBondContact O-CG2 3.42Å; C888-T891 PolarHBondContact O-N 2.86Å; C888-T891 PolarHBondContact O-OG1 2.82Å; C888-K892 HydrophobicContact CB-CB 4.49Å; C888-K892 HydrophobicContact CB-CG 4.23Å; C888-S939 WeakPolarHBondContact CA-O 3.47Å; C888-S939 PolarHBondContact N-O 3.29Å; C888-N940 PolarHBondContact SG-OD1 3.47Å
889	E	92.8	Very high	95.9	Very high	103 Å²	103	18 Å²	18	48%	0.481	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	59.6	17.7	-178.4	-67.2	-57.7	119	0	0	116.2	K796 A887 S939	K796-E889 WeakPolarHBondContact CE-O 3.33Å; K796-E889 WeakPolarHBondContact CE-OE2 3.37Å; K796-E889 IonicContact NZ-OE2 3.88Å; K796-E889 PolarHBondContact NZ-OE2 3.37Å; A887-E889 PolarHBondContact O-N 3.13Å; E889-S939 WeakPolarHBondContact CG-OG 2.93Å; E889-S939 PolarHBondContact N-OG 2.73Å; E889-S939 VanDerWaalsContact OE1-CB 3.26Å; E889-S939 WeakPolarHBondContact OE1-CB 3.3Å; E889-S939 PolarHBondContact OE1-OG 3.35Å
890	G	94.6	Very high	96	Very high	5 Å²	5	17.8 Å²	17.8	5%	0.052	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	96.5	-3.4	-175.8	0	0	0	0	0	114.2	A887 C888 K892	A887-G890 PolarHBondContact O-N 2.83Å; C888-G890 PolarHBondContact O-N 3.02Å; C888-G890 VanDerWaalsContact O-N 3.08Å; G890-K892 VanDerWaalsContact C-N 3.27Å; G890-K892 PolarHBondContact O-N 3.08Å
891	T	95.8	Very high	96	Very high	81 Å²	81	17.8 Å²	17.8	50%	0.497	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.5	177.9	63.6	0	0	0	0	112.9	A887 C888 S907	A887-T891 PolarHBondContact O-N 2.87Å; C888-T891 WeakPolarHBondContact CB-OG1 3.25Å; C888-T891 WeakPolarHBondContact O-CB 3.26Å; C888-T891 WeakPolarHBondContact O-CG2 3.42Å; C888-T891 PolarHBondContact O-N 2.86Å; C888-T891 PolarHBondContact O-OG1 2.82Å; T891-S907 PolarHBondContact O-N 3.41Å
892	K	97.2	Very high	96	Very high	41 Å²	41	17.9 Å²	17.9	18%	0.178	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.1	175.8	-62.4	-168.8	-169.7	-56.4	0	111.2	F886 A887 C888 G890 F905 I912	F886-K892 CarbonylContact C-O 3.59Å; F886-K892 WeakPolarHBondContact CA-O 3.36Å; A887-K892 HydrophobicContact CB-CB 4.45Å; A887-K892 PolarHBondContact N-O 2.81Å; A887-K892 PolarHBondContact O-N 3.44Å; A887-K892 VanDerWaalsContact O-N 3.13Å; C888-K892 HydrophobicContact CB-CB 4.49Å; C888-K892 HydrophobicContact CB-CG 4.23Å; G890-K892 VanDerWaalsContact C-N 3.27Å; G890-K892 PolarHBondContact O-N 3.08Å; K892-F905 CarbonylContact C-O 3.51Å; K892-F905 VanDerWaalsContact CA-O 3.31Å; K892-F905 WeakPolarHBondContact CA-O 3.42Å; K892-I912 HydrophobicContact CG-CD1 4.5Å
893	V	98.3	Very high	96	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.8	168	174.6	0	0	0	0	108.2	L802 L810 F886 V895 F904 F905 L909	L802-V893 HydrophobicContact CD1-CG1 4.23Å; L802-V893 HydrophobicContact CD2-CG1 3.42Å; L802-V893 VanDerWaalsContact CD2-CG1 3.42Å; L802-V893 HydrophobicContact CD2-CG2 4.4Å; L802-V893 HydrophobicContact CG-CG1 4.47Å; L810-V893 HydrophobicContact CD2-CG1 3.91Å; F886-V893 HydrophobicContact CD1-CG2 3.67Å; F886-V893 HydrophobicContact CE1-CG2 3.55Å; F886-V893 HydrophobicContact CZ-CG2 4.49Å; V893-V895 HydrophobicContact CG1-CG2 4.24Å; V893-F904 CarbonylContact O-C 3.53Å; V893-F904 WeakPolarHBondContact O-CA 3.27Å; V893-F905 HydrophobicContact CB-CB 4.19Å; V893-F905 PolarHBondContact N-O 2.64Å; V893-F905 PolarHBondContact O-N 3.3Å; V893-L909 HydrophobicContact CB-CD2 4.4Å; V893-L909 HydrophobicContact CG1-CD2 4.41Å; V893-L909 HydrophobicContact CG2-CD2 4Å
894	V	98.5	Very high	96	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.3	-177.9	-170.1	0	0	0	0	109	A884 T885 A887 V902 L903 F904 I932 I942	A884-V894 CarbonylContact C-O 3.58Å; A884-V894 VanDerWaalsContact CA-O 3.24Å; A884-V894 WeakPolarHBondContact CA-O 3.13Å; T885-V894 HydrophobicContact CG2-CB 4.32Å; T885-V894 PolarHBondContact N-O 2.78Å; T885-V894 PolarHBondContact O-N 2.97Å; A887-V894 HydrophobicContact CB-CG2 3.6Å; V894-V902 HydrophobicContact CG1-CG1 3.45Å; V894-V902 VanDerWaalsContact CG1-CG1 3.45Å; V894-L903 CarbonylContact C-O 3.6Å; V894-L903 WeakPolarHBondContact CA-O 3.44Å; V894-F904 HydrophobicContact CG1-CD1 4.33Å; V894-F904 HydrophobicContact CG1-CE1 4Å; V894-F904 HydrophobicContact CG1-CZ 4.23Å; V894-F904 HydrophobicContact CG2-CD1 3.79Å; V894-F904 HydrophobicContact CG2-CE1 3.76Å; V894-I932 HydrophobicContact CG1-CD1 3.93Å; V894-I932 HydrophobicContact CG1-CG2 4.26Å; V894-I942 HydrophobicContact CG1-CD1 3.79Å; V894-I942 HydrophobicContact CG2-CD1 4.47Å
895	V	98.4	Very high	96	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.8	-175.1	-177.2	0	0	0	0	109.9	L810 I881 C883 A884 V893 V902 L903 F905	L810-V895 HydrophobicContact CD1-CG2 4.05Å; L810-V895 HydrophobicContact CD2-CG2 3.77Å; I881-V895 HydrophobicContact CG1-CG1 4.31Å; I881-V895 HydrophobicContact CG2-CG1 3.74Å; C883-V895 WeakPolarHBondContact O-CA 3.24Å; A884-V895 HydrophobicContact CB-CG2 4.22Å; V893-V895 HydrophobicContact CG1-CG2 4.24Å; V895-V902 CarbonylContact O-C 3.6Å; V895-V902 VanDerWaalsContact O-CA 3.29Å; V895-V902 WeakPolarHBondContact O-CA 3.39Å; V895-L903 HydrophobicContact CB-CB 4.43Å; V895-L903 PolarHBondContact N-O 2.84Å; V895-L903 PolarHBondContact O-N 2.78Å; V895-F905 HydrophobicContact CB-CE2 4.19Å; V895-F905 HydrophobicContact CG2-CD2 3.91Å; V895-F905 HydrophobicContact CG2-CE2 3.75Å
896	G	97.4	Very high	95.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.9	171.5	0	0	0	0	0	111.1	T882 C883 R901	T882-G896 PolarHBondContact N-O 3.18Å; T882-G896 PolarHBondContact OG1-O 2.81Å; C883-G896 PolarHBondContact N-O 2.85Å; C883-G896 PolarHBondContact O-N 2.92Å; G896-R901 WeakPolarHBondContact CA-O 3.43Å
897	T	95.5	Very high	95.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	159.8	-177.6	57	0	0	0	0	112.6	T879 V880 D899 G900 R901 L903 V929	T879-T897 HydrophobicContact CG2-CG2 3.46Å; T879-T897 VanDerWaalsContact CG2-CG2 3.46Å; V880-T897 WeakPolarHBondContact O-CA 3.44Å; T897-D899 VanDerWaalsContact C-N 3.27Å; T897-D899 WeakPolarHBondContact CB-OD1 3.43Å; T897-D899 PolarHBondContact O-N 3.45Å; T897-D899 PolarHBondContact OG1-OD1 2.79Å; T897-G900 PolarHBondContact O-N 2.88Å; T897-R901 PolarHBondContact N-O 3.06Å; T897-R901 WeakPolarHBondContact OG1-CA 3.38Å; T897-R901 WeakPolarHBondContact OG1-CB 3.36Å; T897-R901 PolarHBondContact OG1-N 3.16Å; T897-R901 PolarHBondContact OG1-O 2.95Å; T897-L903 HydrophobicContact CG2-CD1 3.3Å; T897-V929 PolarHBondContact O-N 3.47Å
898	Y	93.1	Very high	95.7	Very high	38 Å²	38	26 Å²	26	15%	0.149	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.7	-178.5	-171.4	-92.7	0	0	0	113.2	F449 T453 V880 T882 G900 R928	F449-Y898 HydrophobicContact CB-CD2 3.44Å; F449-Y898 VanDerWaalsContact CB-CD2 3.44Å; F449-Y898 HydrophobicContact CB-CE2 3.41Å; F449-Y898 VanDerWaalsContact CB-CE2 3.41Å; F449-Y898 HydrophobicContact CB-CG 4.21Å; F449-Y898 AromaticContact CD2-CD2 3.77Å; F449-Y898 HydrophobicContact CD2-CD2 3.77Å; F449-Y898 HydrophobicContact CD2-CE2 4.16Å; F449-Y898 AromaticContact CG-CD2 3.91Å; F449-Y898 HydrophobicContact CG-CD2 3.91Å; F449-Y898 HydrophobicContact CG-CE2 4.25Å; T453-Y898 HydrophobicContact CG2-CD1 3.33Å; T453-Y898 HydrophobicContact CG2-CE1 3.64Å; T453-Y898 HydrophobicContact CG2-CG 4.23Å; T453-Y898 WeakPolarHBondContact OG1-CE1 3.48Å; V880-Y898 HydrophobicContact CG1-CG 4.42Å; V880-Y898 PolarHBondContact O-N 2.82Å; T882-Y898 HydrophobicContact CG2-CD2 4.38Å; Y898-G900 PolarHBondContact O-N 3.38Å; Y898-R928 HydrophobicContact CD2-CB 3.94Å; Y898-R928 HydrophobicContact CD2-CG 4.31Å; Y898-R928 HydrophobicContact CE2-CB 4.32Å; Y898-R928 HydrophobicContact CE2-CG 4.34Å; Y898-R928 HydrophobicContact CG-CB 4.19Å; Y898-R928 VanDerWaalsContact O-CA 3.32Å; Y898-R928 WeakPolarHBondContact O-CA 3.42Å; Y898-R928 WeakPolarHBondContact O-CB 3.48Å
899	D	89.7	Confident	95.8	Very high	47 Å²	47	25.8 Å²	25.8	25%	0.251	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	1.9	175.7	64.1	-4.4	0	0	0	113.8	T897 R901 C927	T897-D899 VanDerWaalsContact C-N 3.27Å; T897-D899 WeakPolarHBondContact CB-OD1 3.43Å; T897-D899 PolarHBondContact O-N 3.45Å; T897-D899 PolarHBondContact OG1-OD1 2.79Å; D899-R901 IonicContact OD1-NE 3.7Å; D899-R901 PolarHBondContact OD1-NE 2.95Å; D899-R901 IonicContact OD1-NH2 2.84Å; D899-R901 IonicContact OD2-CZ 2.54Å; D899-R901 IonicContact OD2-NE 2.75Å; D899-R901 PolarHBondContact OD2-NE 3.07Å; D899-R901 IonicContact OD2-NH2 2.88Å; D899-R901 PolarHBondContact OD2-NH2 2.91Å; D899-C927 CarbonylContact C-O 3.52Å
900	G	92.3	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	93.1	18.4	173.9	0	0	0	0	0	115.2	T897 Y898 I917 C927	T897-G900 PolarHBondContact O-N 2.88Å; Y898-G900 PolarHBondContact O-N 3.38Å; G900-I917 WeakPolarHBondContact O-CA 3.3Å; G900-I917 VanDerWaalsContact O-CB 3.29Å; G900-I917 WeakPolarHBondContact O-CB 3.43Å; G900-I917 PolarHBondContact O-N 3.28Å; G900-C927 WeakPolarHBondContact CA-O 3.41Å; G900-C927 PolarHBondContact N-O 2.67Å; G900-C927 VanDerWaalsContact N-O 3.1Å
901	R	94	Very high	96	Very high	13 Å²	13	27.4 Å²	27.4	5%	0.049	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	149.4	175.3	-59.6	179.3	-72.4	152.2	2.8	111	P827 G896 T897 D899 L903 F914 I915	P827-R901 PolarHBondContact O-NH1 2.72Å; P827-R901 PolarHBondContact O-NH2 2.72Å; G896-R901 WeakPolarHBondContact CA-O 3.43Å; T897-R901 PolarHBondContact N-O 3.06Å; T897-R901 WeakPolarHBondContact OG1-CA 3.38Å; T897-R901 WeakPolarHBondContact OG1-CB 3.36Å; T897-R901 PolarHBondContact OG1-N 3.16Å; T897-R901 PolarHBondContact OG1-O 2.95Å; D899-R901 IonicContact OD1-NE 3.7Å; D899-R901 PolarHBondContact OD1-NE 2.95Å; D899-R901 IonicContact OD1-NH2 2.84Å; D899-R901 IonicContact OD2-CZ 2.54Å; D899-R901 IonicContact OD2-NE 2.75Å; D899-R901 PolarHBondContact OD2-NE 3.07Å; D899-R901 IonicContact OD2-NH2 2.88Å; D899-R901 PolarHBondContact OD2-NH2 2.91Å; R901-L903 HydrophobicContact CB-CD1 3.98Å; R901-F914 HydrophobicContact CB-CD2 4.23Å; R901-F914 HydrophobicContact CG-CD2 3.93Å; R901-F914 HydrophobicContact CG-CE2 4.29Å; R901-I915 CarbonylContact C-O 3.48Å; R901-I915 WeakPolarHBondContact CA-O 3.37Å
902	V	97	Very high	96	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	103.3	168	178.2	0	0	0	0	106.5	V894 V895 F904 F914 I915 I917 V929 I932 I942 V944	V894-V902 HydrophobicContact CG1-CG1 3.45Å; V894-V902 VanDerWaalsContact CG1-CG1 3.45Å; V895-V902 CarbonylContact O-C 3.6Å; V895-V902 VanDerWaalsContact O-CA 3.29Å; V895-V902 WeakPolarHBondContact O-CA 3.39Å; V902-F904 HydrophobicContact CG1-CE2 3.89Å; V902-F904 HydrophobicContact CG1-CZ 3.99Å; V902-F914 CarbonylContact O-C 3.49Å; V902-F914 WeakPolarHBondContact O-CA 3.4Å; V902-I915 HydrophobicContact CB-CB 4.48Å; V902-I915 PolarHBondContact N-O 2.96Å; V902-I915 PolarHBondContact O-N 2.9Å; V902-I917 HydrophobicContact CG2-CD1 4.06Å; V902-I917 HydrophobicContact CG2-CG1 3.91Å; V902-V929 HydrophobicContact CG2-CG2 3.97Å; V902-I932 HydrophobicContact CG1-CD1 3.91Å; V902-I932 HydrophobicContact CG2-CD1 4.22Å; V902-I942 HydrophobicContact CG1-CD1 4.3Å; V902-V944 HydrophobicContact CG2-CG1 3.95Å; V902-V944 HydrophobicContact CG2-CG2 4.11Å
903	L	97.4	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	147.4	-178.3	-58.1	92.7	0	0	0	110.3	V826 V894 V895 T897 R901 F905 Y911 T913 F914	V826-L903 HydrophobicContact CG1-CD1 4.33Å; V826-L903 HydrophobicContact CG1-CD2 3.9Å; V894-L903 CarbonylContact C-O 3.6Å; V894-L903 WeakPolarHBondContact CA-O 3.44Å; V895-L903 HydrophobicContact CB-CB 4.43Å; V895-L903 PolarHBondContact N-O 2.84Å; V895-L903 PolarHBondContact O-N 2.78Å; T897-L903 HydrophobicContact CG2-CD1 3.3Å; R901-L903 HydrophobicContact CB-CD1 3.98Å; L903-F905 HydrophobicContact CB-CD2 4.44Å; L903-F905 HydrophobicContact CB-CE2 3.7Å; L903-F905 HydrophobicContact CB-CZ 4.35Å; L903-F905 HydrophobicContact CD2-CZ 4.41Å; L903-Y911 HydrophobicContact CD2-CD2 4.46Å; L903-Y911 HydrophobicContact CD2-CE2 4.1Å; L903-T913 CarbonylContact C-O 3.57Å; L903-F914 HydrophobicContact CB-CB 4.42Å; L903-F914 HydrophobicContact CG-CB 3.99Å
904	F	97.8	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134	178.5	-64.5	-97.5	0	0	0	108.9	V893 V894 V902 I912 T913 I915 I942 A956 Y959	V893-F904 CarbonylContact O-C 3.53Å; V893-F904 WeakPolarHBondContact O-CA 3.27Å; V894-F904 HydrophobicContact CG1-CD1 4.33Å; V894-F904 HydrophobicContact CG1-CE1 4Å; V894-F904 HydrophobicContact CG1-CZ 4.23Å; V894-F904 HydrophobicContact CG2-CD1 3.79Å; V894-F904 HydrophobicContact CG2-CE1 3.76Å; V902-F904 HydrophobicContact CG1-CE2 3.89Å; V902-F904 HydrophobicContact CG1-CZ 3.99Å; F904-I912 HydrophobicContact CB-CB 4.28Å; F904-I912 WeakPolarHBondContact O-CA 3.38Å; F904-I912 WeakPolarHBondContact O-CB 3.29Å; F904-I912 PolarHBondContact O-N 2.91Å; F904-T913 HydrophobicContact CB-CG2 4.12Å; F904-T913 HydrophobicContact CD2-CG2 3.94Å; F904-T913 HydrophobicContact CG-CG2 4.26Å; F904-T913 PolarHBondContact N-O 3.41Å; F904-T913 PolarHBondContact O-N 3.49Å; F904-I915 HydrophobicContact CE2-CD1 3.54Å; F904-I915 HydrophobicContact CE2-CG1 3.87Å; F904-I915 HydrophobicContact CZ-CD1 3.77Å; F904-I942 HydrophobicContact CE1-CD1 4.1Å; F904-I942 HydrophobicContact CZ-CD1 3.95Å; F904-A956 HydrophobicContact CE1-CB 3.88Å; F904-Y959 HydrophobicContact CB-CE1 4.33Å; F904-Y959 HydrophobicContact CD1-CD1 4.11Å; F904-Y959 AromaticContact CD1-CE1 3.86Å; F904-Y959 HydrophobicContact CD1-CE1 3.86Å; F904-Y959 AromaticContact CD2-CD1 3.89Å; F904-Y959 HydrophobicContact CD2-CD1 3.89Å; F904-Y959 HydrophobicContact CD2-CE1 4.12Å; F904-Y959 HydrophobicContact CE1-CD1 4.03Å; F904-Y959 HydrophobicContact CE1-CE1 4.19Å; F904-Y959 AromaticContact CE2-CD1 3.83Å; F904-Y959 HydrophobicContact CE2-CD1 3.83Å; F904-Y959 HydrophobicContact CE2-CE1 4.45Å; F904-Y959 HydrophobicContact CG-CD1 4.04Å; F904-Y959 AromaticContact CG-CE1 3.83Å; F904-Y959 HydrophobicContact CG-CE1 3.83Å; F904-Y959 AromaticContact CZ-CD1 3.89Å; F904-Y959 HydrophobicContact CZ-CD1 3.89Å; F904-Y959 HydrophobicContact CZ-CE1 4.47Å
905	F	98.2	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	161.1	175.4	-60.4	-100.1	0	0	0	109.2	L810 V824 V826 K892 V893 V895 L903 L909 S910 Y911 I912	L810-F905 HydrophobicContact CD2-CD2 4.24Å; L810-F905 HydrophobicContact CD2-CE2 4.41Å; L810-F905 HydrophobicContact CD2-CG 4.49Å; V824-F905 HydrophobicContact CG1-CD1 4.13Å; V824-F905 HydrophobicContact CG1-CE1 3.84Å; V824-F905 HydrophobicContact CG1-CZ 4.5Å; V824-F905 HydrophobicContact CG2-CE1 4.37Å; V826-F905 HydrophobicContact CG1-CZ 4.39Å; V826-F905 HydrophobicContact CG2-CZ 4.3Å; K892-F905 CarbonylContact C-O 3.51Å; K892-F905 VanDerWaalsContact CA-O 3.31Å; K892-F905 WeakPolarHBondContact CA-O 3.42Å; V893-F905 HydrophobicContact CB-CB 4.19Å; V893-F905 PolarHBondContact N-O 2.64Å; V893-F905 PolarHBondContact O-N 3.3Å; V895-F905 HydrophobicContact CB-CE2 4.19Å; V895-F905 HydrophobicContact CG2-CD2 3.91Å; V895-F905 HydrophobicContact CG2-CE2 3.75Å; L903-F905 HydrophobicContact CB-CD2 4.44Å; L903-F905 HydrophobicContact CB-CE2 3.7Å; L903-F905 HydrophobicContact CB-CZ 4.35Å; L903-F905 HydrophobicContact CD2-CZ 4.41Å; F905-L909 WeakPolarHBondContact CD1-O 3.29Å; F905-S910 CarbonylContact C-O 3.54Å; F905-S910 WeakPolarHBondContact CA-O 3.24Å; F905-S910 VanDerWaalsContact CB-O 3.32Å; F905-S910 WeakPolarHBondContact CB-O 3.33Å; F905-Y911 HydrophobicContact CE1-CD2 4.15Å; F905-Y911 HydrophobicContact CZ-CD2 4.25Å; F905-I912 VanDerWaalsContact C-CD1 3.45Å
906	N	96.8	Very high	95.3	Very high	39 Å²	39	34.4 Å²	34.4	21%	0.209	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	178.7	166.6	79.7	-5.4	0	0	0	110.7	E908 L909 S910 I912	N906-E908 PolarHBondContact O-N 3.16Å; N906-E908 VanDerWaalsContact OD1-C 3.27Å; N906-E908 WeakPolarHBondContact OD1-CA 3.41Å; N906-E908 WeakPolarHBondContact OD1-CB 3.48Å; N906-E908 PolarHBondContact OD1-N 2.54Å; N906-L909 PolarHBondContact O-N 3.37Å; N906-L909 VanDerWaalsContact O-N 3.07Å; N906-L909 PolarHBondContact OD1-N 2.75Å; N906-S910 PolarHBondContact N-O 3.37Å; N906-S910 PolarHBondContact ND2-OG 2.74Å; N906-S910 PolarHBondContact OD1-N 2.7Å; N906-S910 PolarHBondContact OD1-OG 3.15Å; N906-I912 HydrophobicContact CB-CD1 4.24Å
907	S	94.7	Very high	95	Very high	52 Å²	52	34.7 Å²	34.7	36%	0.364	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21	176.6	52.8	0	0	0	0	114.7	T891 L909	T891-S907 PolarHBondContact O-N 3.41Å; S907-L909 VanDerWaalsContact C-N 3.31Å
908	E	95.7	Very high	94.4	Very high	117 Å²	117	42 Å²	42	55%	0.547	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.4	175.1	-58.7	-176.6	161.7	0	0	112.7	F822 N906 S910	F822-E908 HydrophobicContact CD2-CB 4.45Å; F822-E908 HydrophobicContact CE2-CB 4.33Å; F822-E908 HydrophobicContact CE2-CG 4.11Å; F822-E908 HydrophobicContact CZ-CB 4.42Å; F822-E908 HydrophobicContact CZ-CG 4.16Å; N906-E908 PolarHBondContact O-N 3.16Å; N906-E908 VanDerWaalsContact OD1-C 3.27Å; N906-E908 WeakPolarHBondContact OD1-CA 3.41Å; N906-E908 WeakPolarHBondContact OD1-CB 3.48Å; N906-E908 PolarHBondContact OD1-N 2.54Å; E908-S910 VanDerWaalsContact C-N 3.33Å
909	L	97.2	Very high	93.7	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.215	C	C	.	.			trans	67.6	24.4	-177.7	-43.1	-178.5	0	0	0	114.7	L802 L810 L812 F822 V824 V893 F905 N906 S907	L802-L909 HydrophobicContact CD1-CD2 3.88Å; L810-L909 HydrophobicContact CD2-CD1 4.5Å; L810-L909 HydrophobicContact CD2-CD2 3.81Å; L810-L909 HydrophobicContact CG-CD1 4.35Å; L810-L909 HydrophobicContact CG-CD2 4.3Å; L812-L909 HydrophobicContact CB-CD1 4.16Å; F822-L909 HydrophobicContact CB-CD1 3.96Å; F822-L909 HydrophobicContact CB-CG 4.13Å; F822-L909 WeakPolarHBondContact O-CD1 3.1Å; V824-L909 HydrophobicContact CB-CB 4.12Å; V824-L909 WeakPolarHBondContact CB-O 3.45Å; V824-L909 HydrophobicContact CG1-CB 3.72Å; V824-L909 WeakPolarHBondContact CG1-O 3.44Å; V893-L909 HydrophobicContact CB-CD2 4.4Å; V893-L909 HydrophobicContact CG1-CD2 4.41Å; V893-L909 HydrophobicContact CG2-CD2 4Å; F905-L909 WeakPolarHBondContact CD1-O 3.29Å; N906-L909 PolarHBondContact O-N 3.37Å; N906-L909 VanDerWaalsContact O-N 3.07Å; N906-L909 PolarHBondContact OD1-N 2.75Å; S907-L909 VanDerWaalsContact C-N 3.31Å
910	S	95.8	Very high	92.6	Very high	57 Å²	57	42.4 Å²	42.4	40%	0.399	24%	0.235	S	C	.	.			trans	-76.3	135.6	165.6	84.2	0	0	0	0	110.3	F905 N906 E908	F905-S910 CarbonylContact C-O 3.54Å; F905-S910 WeakPolarHBondContact CA-O 3.24Å; F905-S910 VanDerWaalsContact CB-O 3.32Å; F905-S910 WeakPolarHBondContact CB-O 3.33Å; N906-S910 PolarHBondContact N-O 3.37Å; N906-S910 PolarHBondContact ND2-OG 2.74Å; N906-S910 PolarHBondContact OD1-N 2.7Å; N906-S910 PolarHBondContact OD1-OG 3.15Å; E908-S910 VanDerWaalsContact C-N 3.33Å
911	Y	96	Very high	91.1	Very high	85 Å²	85	46.4 Å²	46.4	33%	0.333	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	137.1	-177.1	170.1	-94.5	0	0	0	111.7	P827 L903 F905 F914	P827-Y911 HydrophobicContact CG-CD2 4.32Å; L903-Y911 HydrophobicContact CD2-CD2 4.46Å; L903-Y911 HydrophobicContact CD2-CE2 4.1Å; F905-Y911 HydrophobicContact CE1-CD2 4.15Å; F905-Y911 HydrophobicContact CZ-CD2 4.25Å; Y911-F914 WeakPolarHBondContact OH-CD1 3.38Å
912	I	95.2	Very high	89.2	Confident	66 Å²	66	49.6 Å²	49.6	34%	0.338	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-64.8	178.2	-58.1	174.6	0	0	0	110.7	K892 F904 F905 N906	K892-I912 HydrophobicContact CG-CD1 4.5Å; F904-I912 HydrophobicContact CB-CB 4.28Å; F904-I912 WeakPolarHBondContact O-CA 3.38Å; F904-I912 WeakPolarHBondContact O-CB 3.29Å; F904-I912 PolarHBondContact O-N 2.91Å; F905-I912 VanDerWaalsContact C-CD1 3.45Å; N906-I912 HydrophobicContact CB-CD1 4.24Å
913	T	95.6	Very high	87.1	Confident	41 Å²	41	60.4 Å²	60.4	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	178.9	-173.5	-167.8	0	0	0	0	111.1	L903 F904 Y959	L903-T913 CarbonylContact C-O 3.57Å; F904-T913 HydrophobicContact CB-CG2 4.12Å; F904-T913 HydrophobicContact CD2-CG2 3.94Å; F904-T913 HydrophobicContact CG-CG2 4.26Å; F904-T913 PolarHBondContact N-O 3.41Å; F904-T913 PolarHBondContact O-N 3.49Å; T913-Y959 HydrophobicContact CG2-CD1 3.67Å; T913-Y959 HydrophobicContact CG2-CD2 4.02Å; T913-Y959 HydrophobicContact CG2-CE1 3.53Å; T913-Y959 HydrophobicContact CG2-CE2 3.89Å; T913-Y959 HydrophobicContact CG2-CG 3.92Å
914	F	95.2	Very high	84.9	Confident	73 Å²	73	63.7 Å²	63.7	32%	0.32	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.9	171.6	75.1	-72.9	0	0	0	112.9	L832 R901 V902 L903 Y911 T916	L832-F914 HydrophobicContact CD1-CD1 4.28Å; L832-F914 HydrophobicContact CD1-CE1 3.79Å; L832-F914 HydrophobicContact CD1-CZ 4.05Å; R901-F914 HydrophobicContact CB-CD2 4.23Å; R901-F914 HydrophobicContact CG-CD2 3.93Å; R901-F914 HydrophobicContact CG-CE2 4.29Å; V902-F914 CarbonylContact O-C 3.49Å; V902-F914 WeakPolarHBondContact O-CA 3.4Å; L903-F914 HydrophobicContact CB-CB 4.42Å; L903-F914 HydrophobicContact CG-CB 3.99Å; Y911-F914 WeakPolarHBondContact OH-CD1 3.38Å; F914-T916 WeakPolarHBondContact CE2-OG1 3.26Å
915	I	93.9	Very high	83	Confident	25 Å²	25	73.1 Å²	73.1	13%	0.128	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135	169.9	-55.9	161.6	0	0	0	108	R901 V902 F904 I917 V954 Y959	R901-I915 CarbonylContact C-O 3.48Å; R901-I915 WeakPolarHBondContact CA-O 3.37Å; V902-I915 HydrophobicContact CB-CB 4.48Å; V902-I915 PolarHBondContact N-O 2.96Å; V902-I915 PolarHBondContact O-N 2.9Å; F904-I915 HydrophobicContact CE2-CD1 3.54Å; F904-I915 HydrophobicContact CE2-CG1 3.87Å; F904-I915 HydrophobicContact CZ-CD1 3.77Å; I915-I917 HydrophobicContact CG2-CD1 4.41Å; I915-V954 HydrophobicContact CD1-CG1 3.55Å; I915-Y959 WeakPolarHBondContact CD1-O 3.19Å; I915-Y959 WeakPolarHBondContact CG1-O 3.4Å
916	T	92.5	Very high	81.5	Confident	65 Å²	65	80.6 Å²	80.6	40%	0.399	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.4	170.7	-53.4	0	0	0	0	110.2	F914 K918	F914-T916 WeakPolarHBondContact CE2-OG1 3.26Å; T916-K918 HydrophobicContact CG2-CG 3.86Å
917	I	91.5	Very high	80.9	Confident	6 Å²	6	79 Å²	79	3%	0.031	43%	0.431	C	S	.	.			trans	-75.4	127.7	164.4	-48	-54.7	0	0	0	106.6	G900 V902 I915 C927 V929 V944	G900-I917 WeakPolarHBondContact O-CA 3.3Å; G900-I917 VanDerWaalsContact O-CB 3.29Å; G900-I917 WeakPolarHBondContact O-CB 3.43Å; G900-I917 PolarHBondContact O-N 3.28Å; V902-I917 HydrophobicContact CG2-CD1 4.06Å; V902-I917 HydrophobicContact CG2-CG1 3.91Å; I915-I917 HydrophobicContact CG2-CD1 4.41Å; I917-C927 PolarHBondContact O-SG 2.77Å; I917-V929 HydrophobicContact CG1-CG2 4.14Å; I917-V944 HydrophobicContact CD1-CG1 4.29Å; I917-V944 HydrophobicContact CG1-CG1 4.26Å
918	K	84	Confident	80.8	Confident	153 Å²	153	76.9 Å²	76.9	67%	0.665	42%	0.415	S	S	*	.			trans	-120.6	136.4	176.8	-63.8	-177	179.9	177.9	0	109.5	T916 R952	T916-K918 HydrophobicContact CG2-CG 3.86Å; K918-R952 PolarHBondContact O-NH2 2.97Å
919	S	78.4	Confident	80.8	Confident	30 Å²	30	71.4 Å²	71.4	21%	0.21	39%	0.39	C	S	.	.			trans	-65.9	148.1	171	-176	0	0	0	0	110.9	T921	S919-T921 PolarHBondContact OG-N 3.02Å; S919-T921 PolarHBondContact OG-OG1 3.04Å; S919-T921 VanDerWaalsContact OG-OG1 3.09Å
920	G	66.1	Low	80.8	Confident	64 Å²	64	71.3 Å²	71.3	66%	0.66	39%	0.389	S	S	*	.	S	Bend	trans	-85.7	-12.9	172.1	0	0	0	0	0	114.6
921	T	60.6	Low	80.9	Confident	83 Å²	83	68.7 Å²	68.7	51%	0.509	37%	0.371	S	S	.	.	S	Bend	trans	-105.2	130.9	-176.9	37.9	0	0	0	0	110.9	S919	S919-T921 PolarHBondContact OG-N 3.02Å; S919-T921 PolarHBondContact OG-OG1 3.04Å; S919-T921 VanDerWaalsContact OG-OG1 3.09Å
922	A	53.9	Low	81	Confident	80 Å²	80	65 Å²	65	66%	0.661	36%	0.357	S	S	*	.	S	Bend	trans	45.1	121	177.6	0	0	0	0	0	116.7	G924 R925	A922-G924 PolarHBondContact O-N 2.73Å; A922-R925 PolarHBondContact O-N 2.84Å
923	K	52.5	Low	81.1	Confident	228 Å²	228	63.9 Å²	63.9	99%	0.991	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	117.1	169	-77.6	-178.8	174.7	179.9	0	109.3
924	G	52.2	Low	81.1	Confident	70 Å²	70	63.4 Å²	63.4	72%	0.722	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.2	-12.5	172.3	0	0	0	0	0	117	A922 H926	A922-G924 PolarHBondContact O-N 2.73Å; G924-H926 PolarHBondContact O-N 3.06Å
925	R	57.5	Low	81.1	Confident	198 Å²	198	60 Å²	60	75%	0.747	33%	0.333	S	S	*	.			trans	-82.3	114.3	170.3	-79	-169.9	-178.5	179.6	1.9	110.8	A922	A922-R925 PolarHBondContact O-N 2.84Å
926	H	66.1	Low	81.1	Confident	157 Å²	157	62.4 Å²	62.4	73%	0.727	35%	0.35	S	S	*	.			trans	-65.3	129.5	165.8	-68.2	-92.6	0	0	0	108.8	G924	G924-H926 PolarHBondContact O-N 3.06Å
927	C	84.9	Confident	81	Confident	4 Å²	4	63 Å²	63	3%	0.027	36%	0.357	C	S	.	.			trans	-90	145.9	166.5	56.6	0	0	0	0	108.7	D899 G900 I917 N947 D948	D899-C927 CarbonylContact C-O 3.52Å; G900-C927 WeakPolarHBondContact CA-O 3.41Å; G900-C927 PolarHBondContact N-O 2.67Å; G900-C927 VanDerWaalsContact N-O 3.1Å; I917-C927 PolarHBondContact O-SG 2.77Å; C927-N947 WeakPolarHBondContact CA-OD1 3.46Å; C927-D948 HydrophobicContact CB-CB 4.26Å
928	R	92.1	Very high	81	Confident	9 Å²	9	64.5 Å²	64.5	3%	0.034	37%	0.365	C	S	.	.			trans	-106.1	145.8	174.9	68.3	-156.7	161.6	85.6	8.7	110.3	E446 Y898 T930 S946 N947 E971 T972 S973	E446-R928 IonicContact OE1-CZ 3.19Å; E446-R928 IonicContact OE1-NE 2.87Å; E446-R928 PolarHBondContact OE1-NE 3.42Å; E446-R928 IonicContact OE1-NH1 2.79Å; E446-R928 PolarHBondContact OE1-NH1 2.88Å; E446-R928 IonicContact OE1-NH2 2.82Å; E446-R928 IonicContact OE2-CZ 2.73Å; E446-R928 IonicContact OE2-NH1 3.69Å; E446-R928 PolarHBondContact OE2-NH1 2.65Å; Y898-R928 HydrophobicContact CD2-CB 3.94Å; Y898-R928 HydrophobicContact CD2-CG 4.31Å; Y898-R928 HydrophobicContact CE2-CB 4.32Å; Y898-R928 HydrophobicContact CE2-CG 4.34Å; Y898-R928 HydrophobicContact CG-CB 4.19Å; Y898-R928 VanDerWaalsContact O-CA 3.32Å; Y898-R928 WeakPolarHBondContact O-CA 3.42Å; Y898-R928 WeakPolarHBondContact O-CB 3.48Å; R928-T930 HydrophobicContact CG-CG2 4.38Å; R928-S946 VanDerWaalsContact O-CA 3.29Å; R928-S946 WeakPolarHBondContact O-CA 3.4Å; R928-S946 WeakPolarHBondContact O-CB 3.43Å; R928-N947 HydrophobicContact CG-CB 3.66Å; R928-N947 VanDerWaalsContact CG-CG 3.41Å; R928-N947 PolarHBondContact N-OD1 2.97Å; R928-N947 PolarHBondContact NE-ND2 3.36Å; R928-N947 PolarHBondContact O-N 3.12Å; R928-N947 VanDerWaalsContact O-N 3.07Å; R928-E971 PolarHBondContact NH2-O 3.5Å; R928-T972 VanDerWaalsContact NH2-CA 3.27Å; R928-T972 PolarHBondContact NH2-O 2.84Å; R928-S973 PolarHBondContact NH1-O 3Å; R928-S973 PolarHBondContact NH2-O 2.93Å
929	V	96.5	Very high	81.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.7	169	-176.6	0	0	0	0	107.8	T882 T897 V902 I917 I932 V944	T882-V929 VanDerWaalsContact CB-O 3.3Å; T882-V929 WeakPolarHBondContact CB-O 3.46Å; T882-V929 PolarHBondContact OG1-O 3.02Å; T897-V929 PolarHBondContact O-N 3.47Å; V902-V929 HydrophobicContact CG2-CG2 3.97Å; I917-V929 HydrophobicContact CG1-CG2 4.14Å; V929-I932 HydrophobicContact CG1-CD1 4.19Å; V929-I932 HydrophobicContact CG1-CG1 3.87Å; V929-V944 HydrophobicContact CG1-CG1 3.87Å; V929-V944 HydrophobicContact CG2-CG1 4.25Å
930	T	96.9	Very high	82.2	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-27.6	178.5	60.1	0	0	0	0	112.5	R928 T945 N947 I975 R976	R928-T930 HydrophobicContact CG-CG2 4.38Å; T930-T945 PolarHBondContact N-O 2.78Å; T930-T945 VanDerWaalsContact OG1-CG2 3.27Å; T930-T945 WeakPolarHBondContact OG1-CG2 3.33Å; T930-T945 PolarHBondContact OG1-O 3.43Å; T930-N947 HydrophobicContact CG2-CB 4.33Å; T930-I975 WeakPolarHBondContact CB-O 3.29Å; T930-I975 PolarHBondContact OG1-O 3.41Å; T930-R976 PolarHBondContact O-NH1 3.37Å
931	A	97.7	Very high	83.6	Confident	2 Å²	2	58 Å²	58	2%	0.017	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	151.9	177	0	0	0	0	0	112	C883 T945 R976	C883-A931 VanDerWaalsContact SG-C 3.57Å; A931-T945 PolarHBondContact N-O 3.35Å; A931-T945 PolarHBondContact O-N 3.45Å; A931-R976 HydrophobicContact CB-CB 3.65Å; A931-R976 HydrophobicContact CB-CG 3.79Å
932	I	98.2	Very high	85.3	Confident	8 Å²	8	54 Å²	54	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128	167.3	-60.6	171.1	0	0	0	107.6	C883 T885 V894 V902 V929 I942 L943 V944	C883-I932 VanDerWaalsContact SG-CG1 3.57Å; C883-I932 PolarHBondContact SG-N 3.22Å; T885-I932 HydrophobicContact CG2-CB 4.21Å; T885-I932 HydrophobicContact CG2-CG2 3.61Å; V894-I932 HydrophobicContact CG1-CD1 3.93Å; V894-I932 HydrophobicContact CG1-CG2 4.26Å; V902-I932 HydrophobicContact CG1-CD1 3.91Å; V902-I932 HydrophobicContact CG2-CD1 4.22Å; V929-I932 HydrophobicContact CG1-CD1 4.19Å; V929-I932 HydrophobicContact CG1-CG1 3.87Å; I932-I942 HydrophobicContact CG2-CB 4.18Å; I932-I942 HydrophobicContact CG2-CD1 4.29Å; I932-L943 VanDerWaalsContact CA-O 3.27Å; I932-L943 WeakPolarHBondContact CA-O 3.49Å; I932-V944 HydrophobicContact CG1-CG1 4.47Å; I932-V944 HydrophobicContact CG1-CG2 4.35Å
933	E	97.3	Very high	87.4	Confident	43 Å²	43	50.2 Å²	50.2	20%	0.201	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.5	175.7	-168.7	171.7	129.6	0	0	110.3	I942 L943 S978 F979	E933-I942 CarbonylContact O-C 3.45Å; E933-I942 WeakPolarHBondContact O-CA 3.13Å; E933-L943 PolarHBondContact N-O 3.48Å; E933-L943 PolarHBondContact O-N 2.94Å; E933-S978 WeakPolarHBondContact OE1-CA 2.99Å; E933-S978 WeakPolarHBondContact OE1-CB 3.4Å; E933-S978 WeakPolarHBondContact OE2-CA 3.21Å; E933-S978 WeakPolarHBondContact OE2-CB 3.41Å; E933-F979 HydrophobicContact CB-CD2 4.41Å; E933-F979 HydrophobicContact CB-CE2 4.41Å; E933-F979 HydrophobicContact CG-CD2 4.07Å; E933-F979 HydrophobicContact CG-CE2 4.47Å; E933-F979 PolarHBondContact OE1-N 3.46Å
934	C	96.1	Very high	89.6	Confident	30 Å²	30	39.3 Å²	39.3	20%	0.203	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.3	175.5	-164.8	0	0	0	0	110.1	S939	C934-S939 VanDerWaalsContact SG-CA 3.59Å; C934-S939 PolarHBondContact SG-O 3.45Å
935	D	94.6	Very high	91.8	Very high	2 Å²	2	36 Å²	36	1%	0.011	18%	0.182	C	C	.	.			trans	-68.7	122.7	178	177.6	0.8	0	0	0	110.5	S937 D938 K941 F979 K1000	D935-S937 PolarHBondContact O-N 3.23Å; D935-S937 PolarHBondContact OD1-N 3.42Å; D935-D938 WeakPolarHBondContact CB-O 3.25Å; D935-D938 CarbonylContact O-C 3.57Å; D935-D938 PolarHBondContact O-N 3.03Å; D935-K941 HydrophobicContact CB-CB 3.83Å; D935-K941 VanDerWaalsContact CB-O 3.27Å; D935-K941 WeakPolarHBondContact CB-O 3.24Å; D935-K941 PolarHBondContact N-O 2.97Å; D935-F979 HydrophobicContact CB-CE1 4.08Å; D935-F979 HydrophobicContact CB-CE2 3.99Å; D935-F979 HydrophobicContact CB-CZ 3.67Å; D935-K1000 IonicContact OD1-NZ 3.48Å; D935-K1000 PolarHBondContact OD1-NZ 2.75Å; D935-K1000 WeakPolarHBondContact OD2-CE 3.39Å; D935-K1000 IonicContact OD2-NZ 2.64Å; D935-K1000 PolarHBondContact OD2-NZ 3.46Å
936	P	92.8	Very high	93.6	Very high	75 Å²	75	26.6 Å²	26.6	49%	0.487	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.3	-175.1	26.1	-34.7	0	0	0	113.5	F979	P936-F979 HydrophobicContact CG-CB 3.92Å; P936-F979 HydrophobicContact CG-CG 4.46Å
937	S	90.5	Very high	94.8	Very high	77 Å²	77	20.7 Å²	20.7	54%	0.538	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.2	179.7	-50	0	0	0	0	113.8	D935 T982	D935-S937 PolarHBondContact O-N 3.23Å; D935-S937 PolarHBondContact OD1-N 3.42Å; S937-T982 PolarHBondContact OG-O 3.11Å
938	D	92	Very high	95.2	Very high	38 Å²	38	21.4 Å²	21.4	20%	0.203	12%	0.124	C	C	.	.			trans	-148.7	101.2	-179.6	179	0.6	0	0	0	109.3	D935 N940 K941	D935-D938 WeakPolarHBondContact CB-O 3.25Å; D935-D938 CarbonylContact O-C 3.57Å; D935-D938 PolarHBondContact O-N 3.03Å; D938-N940 PolarHBondContact O-N 3.35Å; D938-N940 VanDerWaalsContact OD1-CB 3.26Å; D938-N940 WeakPolarHBondContact OD1-CB 3.48Å; D938-N940 PolarHBondContact OD1-N 3.18Å; D938-N940 PolarHBondContact OD1-ND2 3.26Å; D938-K941 HydrophobicContact CB-CG 4.43Å; D938-K941 PolarHBondContact O-N 3Å; D938-K941 IonicContact OD2-NZ 2.87Å; D938-K941 PolarHBondContact OD2-NZ 3.21Å
939	S	93.5	Very high	95.2	Very high	21 Å²	21	22 Å²	22	15%	0.147	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-5.8	-175.6	63.8	0	0	0	0	114.2	C888 E889 C934 K941	C888-S939 WeakPolarHBondContact CA-O 3.47Å; C888-S939 PolarHBondContact N-O 3.29Å; E889-S939 WeakPolarHBondContact CG-OG 2.93Å; E889-S939 PolarHBondContact N-OG 2.73Å; E889-S939 VanDerWaalsContact OE1-CB 3.26Å; E889-S939 WeakPolarHBondContact OE1-CB 3.3Å; E889-S939 PolarHBondContact OE1-OG 3.35Å; C934-S939 VanDerWaalsContact SG-CA 3.59Å; C934-S939 PolarHBondContact SG-O 3.45Å; S939-K941 VanDerWaalsContact C-N 3.33Å
940	N	94.2	Very high	95.1	Very high	35 Å²	35	23.5 Å²	23.5	19%	0.187	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.4	170.2	-56.5	-60.1	0	0	0	113	C888 D938 A956 R957	C888-N940 PolarHBondContact SG-OD1 3.47Å; D938-N940 PolarHBondContact O-N 3.35Å; D938-N940 VanDerWaalsContact OD1-CB 3.26Å; D938-N940 WeakPolarHBondContact OD1-CB 3.48Å; D938-N940 PolarHBondContact OD1-N 3.18Å; D938-N940 PolarHBondContact OD1-ND2 3.26Å; N940-A956 VanDerWaalsContact O-CB 3.3Å; N940-A956 WeakPolarHBondContact O-CB 3.11Å; N940-A956 PolarHBondContact O-N 3.01Å; N940-R957 HydrophobicContact CB-CG 4.06Å; N940-R957 WeakPolarHBondContact OD1-CD 3.35Å
941	K	95	Very high	95.1	Very high	54 Å²	54	23.4 Å²	23.4	24%	0.235	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.4	178.7	-63.7	-172	-178.4	86.2	0	110.3	D935 D938 S939 L953 V954 L962	D935-K941 HydrophobicContact CB-CB 3.83Å; D935-K941 VanDerWaalsContact CB-O 3.27Å; D935-K941 WeakPolarHBondContact CB-O 3.24Å; D935-K941 PolarHBondContact N-O 2.97Å; D938-K941 HydrophobicContact CB-CG 4.43Å; D938-K941 PolarHBondContact O-N 3Å; D938-K941 IonicContact OD2-NZ 2.87Å; D938-K941 PolarHBondContact OD2-NZ 3.21Å; S939-K941 VanDerWaalsContact C-N 3.33Å; K941-L953 HydrophobicContact CB-CD1 4.15Å; K941-L953 HydrophobicContact CD-CD2 4.34Å; K941-V954 WeakPolarHBondContact CA-O 3.42Å; K941-L962 HydrophobicContact CD-CD1 3.88Å; K941-L962 HydrophobicContact CG-CD1 4.12Å
942	I	97	Very high	95	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.8	176.8	64.7	173.5	0	0	0	110.3	A887 V894 V902 F904 I932 E933 V944 L953 V954 A956	A887-I942 HydrophobicContact CB-CG2 3.97Å; V894-I942 HydrophobicContact CG1-CD1 3.79Å; V894-I942 HydrophobicContact CG2-CD1 4.47Å; V902-I942 HydrophobicContact CG1-CD1 4.3Å; F904-I942 HydrophobicContact CE1-CD1 4.1Å; F904-I942 HydrophobicContact CZ-CD1 3.95Å; I932-I942 HydrophobicContact CG2-CB 4.18Å; I932-I942 HydrophobicContact CG2-CD1 4.29Å; E933-I942 CarbonylContact O-C 3.45Å; E933-I942 WeakPolarHBondContact O-CA 3.13Å; I942-V944 HydrophobicContact CD1-CG2 4.28Å; I942-V944 HydrophobicContact CG1-CG2 4.45Å; I942-L953 CarbonylContact O-C 3.59Å; I942-L953 WeakPolarHBondContact O-CA 3.43Å; I942-V954 HydrophobicContact CD1-CB 4.27Å; I942-V954 HydrophobicContact CD1-CG1 4.35Å; I942-V954 HydrophobicContact CG1-CB 3.79Å; I942-V954 HydrophobicContact CG1-CG1 4.28Å; I942-V954 PolarHBondContact N-O 2.75Å; I942-V954 PolarHBondContact O-N 2.94Å; I942-A956 HydrophobicContact CG2-CB 4.23Å
943	L	98.2	Very high	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.8	172.3	-175.1	69.2	0	0	0	109.3	I932 E933 L951 A977 F979 L986	I932-L943 VanDerWaalsContact CA-O 3.27Å; I932-L943 WeakPolarHBondContact CA-O 3.49Å; E933-L943 PolarHBondContact N-O 3.48Å; E933-L943 PolarHBondContact O-N 2.94Å; L943-L951 HydrophobicContact CD1-CB 3.94Å; L943-A977 HydrophobicContact CD2-CB 3.87Å; L943-F979 HydrophobicContact CB-CD2 4.47Å; L943-F979 HydrophobicContact CB-CE2 3.47Å; L943-F979 VanDerWaalsContact CB-CE2 3.47Å; L943-F979 HydrophobicContact CB-CZ 3.53Å; L943-F979 HydrophobicContact CD2-CE2 4.21Å; L943-F979 HydrophobicContact CD2-CZ 4.35Å; L943-F979 HydrophobicContact CG-CE2 4.45Å; L943-F979 HydrophobicContact CG-CZ 4.39Å; L943-L986 HydrophobicContact CD1-CD1 3.95Å; L943-L986 HydrophobicContact CD1-CD2 4.46Å; L943-L986 HydrophobicContact CD2-CD2 4.16Å
944	V	97.9	Very high	94.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.8	176	-176	0	0	0	0	108.8	V902 I917 V929 I932 I942 L951 R952 V954	V902-V944 HydrophobicContact CG2-CG1 3.95Å; V902-V944 HydrophobicContact CG2-CG2 4.11Å; I917-V944 HydrophobicContact CD1-CG1 4.29Å; I917-V944 HydrophobicContact CG1-CG1 4.26Å; V929-V944 HydrophobicContact CG1-CG1 3.87Å; V929-V944 HydrophobicContact CG2-CG1 4.25Å; I932-V944 HydrophobicContact CG1-CG1 4.47Å; I932-V944 HydrophobicContact CG1-CG2 4.35Å; I942-V944 HydrophobicContact CD1-CG2 4.28Å; I942-V944 HydrophobicContact CG1-CG2 4.45Å; V944-L951 CarbonylContact O-C 3.57Å; V944-L951 WeakPolarHBondContact O-CA 3.4Å; V944-R952 HydrophobicContact CB-CB 4.34Å; V944-R952 PolarHBondContact N-O 2.98Å; V944-R952 PolarHBondContact O-N 3.47Å; V944-V954 HydrophobicContact CG2-CG2 4.09Å
945	T	98	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.8	172	-51	0	0	0	0	109.1	T930 A931 L951 F968 I975 A977	T930-T945 PolarHBondContact N-O 2.78Å; T930-T945 VanDerWaalsContact OG1-CG2 3.27Å; T930-T945 WeakPolarHBondContact OG1-CG2 3.33Å; T930-T945 PolarHBondContact OG1-O 3.43Å; A931-T945 PolarHBondContact N-O 3.35Å; A931-T945 PolarHBondContact O-N 3.45Å; T945-L951 HydrophobicContact CG2-CD2 3.65Å; T945-F968 HydrophobicContact CG2-CE2 4.4Å; T945-F968 HydrophobicContact CG2-CZ 4.15Å; T945-I975 WeakPolarHBondContact CG2-O 3.43Å; T945-A977 HydrophobicContact CG2-CB 4.45Å; T945-A977 WeakPolarHBondContact OG1-CB 3.06Å; T945-A977 PolarHBondContact OG1-N 2.84Å
946	S	95.5	Very high	94.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	158	179.4	46	0	0	0	0	112.7	R928 D948 S949 R950 N970	R928-S946 VanDerWaalsContact O-CA 3.29Å; R928-S946 WeakPolarHBondContact O-CA 3.4Å; R928-S946 WeakPolarHBondContact O-CB 3.43Å; S946-D948 WeakPolarHBondContact CB-OD1 3.01Å; S946-D948 PolarHBondContact O-N 2.62Å; S946-D948 PolarHBondContact OG-OD1 3.45Å; S946-S949 PolarHBondContact O-N 2.84Å; S946-R950 PolarHBondContact N-O 3.25Å; S946-R950 VanDerWaalsContact N-O 3.14Å; S946-R950 PolarHBondContact OG-O 3.07Å; S946-N970 PolarHBondContact O-ND2 2.92Å; S946-N970 VanDerWaalsContact O-ND2 3.15Å
947	N	92.4	Very high	94.6	Very high	34 Å²	34	23.9 Å²	23.9	18%	0.182	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	9.4	178.7	85.8	-42	0	0	0	114.6	C927 R928 T930 N970 E971	C927-N947 WeakPolarHBondContact CA-OD1 3.46Å; R928-N947 HydrophobicContact CG-CB 3.66Å; R928-N947 VanDerWaalsContact CG-CG 3.41Å; R928-N947 PolarHBondContact N-OD1 2.97Å; R928-N947 PolarHBondContact NE-ND2 3.36Å; R928-N947 PolarHBondContact O-N 3.12Å; R928-N947 VanDerWaalsContact O-N 3.07Å; T930-N947 HydrophobicContact CG2-CB 4.33Å; N947-N970 CarbonylContact C-O 3.6Å; N947-N970 WeakPolarHBondContact CA-O 3.49Å; N947-E971 PolarHBondContact ND2-O 2.88Å
948	D	92	Very high	94.6	Very high	18 Å²	18	24.4 Å²	24.4	10%	0.096	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	18.5	167.9	75.3	-28.6	0	0	0	111.2	C927 S946 R950 R952	C927-D948 HydrophobicContact CB-CB 4.26Å; S946-D948 WeakPolarHBondContact CB-OD1 3.01Å; S946-D948 PolarHBondContact O-N 2.62Å; S946-D948 PolarHBondContact OG-OD1 3.45Å; D948-R950 WeakPolarHBondContact O-CG 2.87Å; D948-R950 WeakPolarHBondContact OD1-CB 3.17Å; D948-R950 VanDerWaalsContact OD2-CD 3.3Å; D948-R950 WeakPolarHBondContact OD2-CD 3.38Å; D948-R950 IonicContact OD2-CZ 3.91Å; D948-R950 IonicContact OD2-NE 2.64Å; D948-R950 IonicContact OD2-NH1 3.04Å; D948-R950 PolarHBondContact OD2-NH1 3.36Å; D948-R952 IonicContact OD2-NH2 2.76Å
949	S	94	Very high	94.7	Very high	23 Å²	23	25.9 Å²	25.9	16%	0.161	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	43.8	-178.7	-65.9	0	0	0	0	112.9	S946 F968 N970	S946-S949 PolarHBondContact O-N 2.84Å; S949-F968 VanDerWaalsContact C-CE1 3.48Å; S949-F968 VanDerWaalsContact CB-O 3.26Å; S949-F968 WeakPolarHBondContact CB-O 3.5Å; S949-N970 PolarHBondContact OG-N 3.12Å; S949-N970 PolarHBondContact OG-O 3.36Å
950	R	93.6	Very high	94.5	Very high	32 Å²	32	28.5 Å²	28.5	12%	0.121	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.6	-179.6	-58.1	-171.9	175.5	96.4	8.8	112.4	S946 D948 Y965 R966	S946-R950 PolarHBondContact N-O 3.25Å; S946-R950 VanDerWaalsContact N-O 3.14Å; S946-R950 PolarHBondContact OG-O 3.07Å; D948-R950 WeakPolarHBondContact O-CG 2.87Å; D948-R950 WeakPolarHBondContact OD1-CB 3.17Å; D948-R950 VanDerWaalsContact OD2-CD 3.3Å; D948-R950 WeakPolarHBondContact OD2-CD 3.38Å; D948-R950 IonicContact OD2-CZ 3.91Å; D948-R950 IonicContact OD2-NE 2.64Å; D948-R950 IonicContact OD2-NH1 3.04Å; D948-R950 PolarHBondContact OD2-NH1 3.36Å; R950-Y965 WeakPolarHBondContact CA-O 3.41Å; R950-R966 HydrophobicContact CG-CG 4.21Å
951	L	96.3	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.9	162.9	-42.4	177.6	0	0	0	109.2	L943 V944 T945 K964 Y965 F968 A977 L986 W998	L943-L951 HydrophobicContact CD1-CB 3.94Å; V944-L951 CarbonylContact O-C 3.57Å; V944-L951 WeakPolarHBondContact O-CA 3.4Å; T945-L951 HydrophobicContact CG2-CD2 3.65Å; L951-K964 WeakPolarHBondContact O-CA 3.39Å; L951-Y965 HydrophobicContact CB-CD2 4.01Å; L951-Y965 HydrophobicContact CB-CG 4.41Å; L951-Y965 PolarHBondContact N-O 3.39Å; L951-Y965 VanDerWaalsContact N-O 3.1Å; L951-Y965 PolarHBondContact O-N 3.33Å; L951-F968 HydrophobicContact CD2-CE1 3.67Å; L951-F968 HydrophobicContact CD2-CE2 4.43Å; L951-F968 HydrophobicContact CD2-CZ 3.54Å; L951-F968 HydrophobicContact CG-CE1 3.82Å; L951-F968 HydrophobicContact CG-CZ 4.22Å; L951-A977 HydrophobicContact CD1-CB 3.79Å; L951-A977 HydrophobicContact CD2-CB 3.49Å; L951-A977 VanDerWaalsContact CD2-CB 3.49Å; L951-A977 HydrophobicContact CG-CB 4.28Å; L951-L986 HydrophobicContact CD1-CD1 4.4Å; L951-W998 HydrophobicContact CD1-CD2 4.46Å; L951-W998 HydrophobicContact CD1-CE3 3.95Å; L951-W998 HydrophobicContact CD1-CH2 3.95Å; L951-W998 HydrophobicContact CD1-CZ2 4.49Å; L951-W998 HydrophobicContact CD1-CZ3 3.68Å
952	R	95.1	Very high	94.1	Very high	22 Å²	22	29.4 Å²	29.4	8%	0.083	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.9	179.1	-63.8	175.3	-179.2	-118.2	6.4	109.4	K918 V944 D948 V954 T961 C963 K964	K918-R952 PolarHBondContact O-NH2 2.97Å; V944-R952 HydrophobicContact CB-CB 4.34Å; V944-R952 PolarHBondContact N-O 2.98Å; V944-R952 PolarHBondContact O-N 3.47Å; D948-R952 IonicContact OD2-NH2 2.76Å; R952-V954 HydrophobicContact CB-CG2 4.32Å; R952-T961 HydrophobicContact CB-CG2 4.13Å; R952-T961 HydrophobicContact CG-CG2 4.4Å; R952-C963 WeakPolarHBondContact CA-O 3.07Å; R952-K964 HydrophobicContact CG-CG 4.36Å
953	L	96	Very high	93.9	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.058	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.6	167.3	-171.3	68.4	0	0	0	107.8	K941 I942 T961 L962 C963 Y965 F979	K941-L953 HydrophobicContact CB-CD1 4.15Å; K941-L953 HydrophobicContact CD-CD2 4.34Å; I942-L953 CarbonylContact O-C 3.59Å; I942-L953 WeakPolarHBondContact O-CA 3.43Å; L953-T961 CarbonylContact O-C 3.44Å; L953-L962 HydrophobicContact CB-CB 4.35Å; L953-L962 HydrophobicContact CD2-CB 4.27Å; L953-L962 HydrophobicContact CD2-CD1 4.19Å; L953-L962 HydrophobicContact CG-CB 4.28Å; L953-L962 HydrophobicContact CG-CD1 4.16Å; L953-L962 WeakPolarHBondContact O-CB 3.2Å; L953-L962 PolarHBondContact O-N 3.48Å; L953-C963 HydrophobicContact CB-CB 4.24Å; L953-C963 PolarHBondContact N-O 3.37Å; L953-C963 PolarHBondContact O-N 3.05Å; L953-Y965 HydrophobicContact CB-CE2 4.08Å; L953-F979 HydrophobicContact CD1-CE1 4.34Å; L953-F979 HydrophobicContact CD1-CZ 4.02Å
954	V	95.4	Very high	93.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.1	-175.9	176.6	0	0	0	0	108.5	I915 K941 I942 V944 R952 H960	I915-V954 HydrophobicContact CD1-CG1 3.55Å; K941-V954 WeakPolarHBondContact CA-O 3.42Å; I942-V954 HydrophobicContact CD1-CB 4.27Å; I942-V954 HydrophobicContact CD1-CG1 4.35Å; I942-V954 HydrophobicContact CG1-CB 3.79Å; I942-V954 HydrophobicContact CG1-CG1 4.28Å; I942-V954 PolarHBondContact N-O 2.75Å; I942-V954 PolarHBondContact O-N 2.94Å; V944-V954 HydrophobicContact CG2-CG2 4.09Å; R952-V954 HydrophobicContact CB-CG2 4.32Å; V954-H960 WeakPolarHBondContact CA-O 3.44Å; V954-H960 WeakPolarHBondContact CG1-O 3.31Å
955	D	93.9	Very high	93.4	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.048	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.8	168.3	-164.6	-46.4	0	0	0	108.5	R957 D958 Y959 H960 L962	D955-R957 VanDerWaalsContact C-N 3.28Å; D955-R957 VanDerWaalsContact OD1-CB 3.31Å; D955-R957 WeakPolarHBondContact OD1-CB 2.99Å; D955-R957 PolarHBondContact OD1-N 2.91Å; D955-R957 IonicContact OD1-NE 3.64Å; D955-R957 IonicContact OD2-NE 2.82Å; D955-R957 IonicContact OD2-NH2 3.98Å; D955-R957 PolarHBondContact OD2-NH2 2.96Å; D955-D958 HydrophobicContact CB-CB 4.49Å; D955-Y959 WeakPolarHBondContact O-CA 3.27Å; D955-Y959 PolarHBondContact O-N 2.98Å; D955-H960 PolarHBondContact N-O 2.77Å; D955-L962 HydrophobicContact CB-CD1 4.15Å; D955-L962 HydrophobicContact CB-CG 4.38Å
956	A	94.3	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.1	-178.7	0	0	0	0	0	113.6	A887 F904 N940 I942 Y959	A887-A956 HydrophobicContact CB-CB 4.22Å; F904-A956 HydrophobicContact CE1-CB 3.88Å; N940-A956 VanDerWaalsContact O-CB 3.3Å; N940-A956 WeakPolarHBondContact O-CB 3.11Å; N940-A956 PolarHBondContact O-N 3.01Å; I942-A956 HydrophobicContact CG2-CB 4.23Å; A956-Y959 VanDerWaalsContact O-CE1 3.26Å; A956-Y959 WeakPolarHBondContact O-CE1 3.45Å
957	R	92.7	Very high	92.7	Very high	127 Å²	127	36.8 Å²	36.8	48%	0.479	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-47.9	170.5	-61.5	176.4	-65.1	178.7	3.4	111.2	N940 D955 Y959	N940-R957 HydrophobicContact CB-CG 4.06Å; N940-R957 WeakPolarHBondContact OD1-CD 3.35Å; D955-R957 VanDerWaalsContact C-N 3.28Å; D955-R957 VanDerWaalsContact OD1-CB 3.31Å; D955-R957 WeakPolarHBondContact OD1-CB 2.99Å; D955-R957 PolarHBondContact OD1-N 2.91Å; D955-R957 IonicContact OD1-NE 3.64Å; D955-R957 IonicContact OD2-NE 2.82Å; D955-R957 IonicContact OD2-NH2 3.98Å; D955-R957 PolarHBondContact OD2-NH2 2.96Å; R957-Y959 VanDerWaalsContact O-CE2 3.24Å; R957-Y959 WeakPolarHBondContact O-CE2 3.29Å
958	D	90.5	Very high	92.8	Very high	87 Å²	87	35.4 Å²	35.4	47%	0.465	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-6.8	-174.2	-64	-15	0	0	0	113.4	D955 H960	D955-D958 HydrophobicContact CB-CB 4.49Å; D958-H960 PolarHBondContact O-N 2.99Å; D958-H960 VanDerWaalsContact O-N 3.07Å; D958-H960 IonicContact OD2-NE2 2.93Å
959	Y	93.6	Very high	92.8	Very high	69 Å²	69	37.4 Å²	37.4	27%	0.271	18%	0.183	S	C	.	.			trans	59.7	17.5	177.7	-43.4	-68.1	0	0	0	114.9	F904 T913 I915 D955 A956 R957	F904-Y959 HydrophobicContact CB-CE1 4.33Å; F904-Y959 HydrophobicContact CD1-CD1 4.11Å; F904-Y959 AromaticContact CD1-CE1 3.86Å; F904-Y959 HydrophobicContact CD1-CE1 3.86Å; F904-Y959 AromaticContact CD2-CD1 3.89Å; F904-Y959 HydrophobicContact CD2-CD1 3.89Å; F904-Y959 HydrophobicContact CD2-CE1 4.12Å; F904-Y959 HydrophobicContact CE1-CD1 4.03Å; F904-Y959 HydrophobicContact CE1-CE1 4.19Å; F904-Y959 AromaticContact CE2-CD1 3.83Å; F904-Y959 HydrophobicContact CE2-CD1 3.83Å; F904-Y959 HydrophobicContact CE2-CE1 4.45Å; F904-Y959 HydrophobicContact CG-CD1 4.04Å; F904-Y959 AromaticContact CG-CE1 3.83Å; F904-Y959 HydrophobicContact CG-CE1 3.83Å; F904-Y959 AromaticContact CZ-CD1 3.89Å; F904-Y959 HydrophobicContact CZ-CD1 3.89Å; F904-Y959 HydrophobicContact CZ-CE1 4.47Å; T913-Y959 HydrophobicContact CG2-CD1 3.67Å; T913-Y959 HydrophobicContact CG2-CD2 4.02Å; T913-Y959 HydrophobicContact CG2-CE1 3.53Å; T913-Y959 HydrophobicContact CG2-CE2 3.89Å; T913-Y959 HydrophobicContact CG2-CG 3.92Å; I915-Y959 WeakPolarHBondContact CD1-O 3.19Å; I915-Y959 WeakPolarHBondContact CG1-O 3.4Å; D955-Y959 WeakPolarHBondContact O-CA 3.27Å; D955-Y959 PolarHBondContact O-N 2.98Å; A956-Y959 VanDerWaalsContact O-CE1 3.26Å; A956-Y959 WeakPolarHBondContact O-CE1 3.45Å; R957-Y959 VanDerWaalsContact O-CE2 3.24Å; R957-Y959 WeakPolarHBondContact O-CE2 3.29Å
960	H	89.3	Confident	92.8	Very high	77 Å²	77	36.3 Å²	36.3	36%	0.356	18%	0.175	S	C	.	.			trans	-98.6	149.4	179.3	67.3	34.3	0	0	0	112.7	V954 D955 D958 L962	V954-H960 WeakPolarHBondContact CA-O 3.44Å; V954-H960 WeakPolarHBondContact CG1-O 3.31Å; D955-H960 PolarHBondContact N-O 2.77Å; D958-H960 PolarHBondContact O-N 2.99Å; D958-H960 VanDerWaalsContact O-N 3.07Å; D958-H960 IonicContact OD2-NE2 2.93Å; H960-L962 WeakPolarHBondContact CE1-CD2 3.32Å; H960-L962 PolarHBondContact O-N 3.28Å
961	T	90.8	Very high	92.6	Very high	47 Å²	47	40.4 Å²	40.4	29%	0.288	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117.7	170.8	-56.3	0	0	0	0	110.5	R952 L953 K964	R952-T961 HydrophobicContact CB-CG2 4.13Å; R952-T961 HydrophobicContact CG-CG2 4.4Å; L953-T961 CarbonylContact O-C 3.44Å; T961-K964 HydrophobicContact CG2-CG 3.96Å
962	L	90.6	Very high	92.1	Very high	60 Å²	60	44.5 Å²	44.5	31%	0.314	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-47.3	177.4	-72	171.5	0	0	0	112.8	K941 L953 D955 H960	K941-L962 HydrophobicContact CD-CD1 3.88Å; K941-L962 HydrophobicContact CG-CD1 4.12Å; L953-L962 HydrophobicContact CB-CB 4.35Å; L953-L962 HydrophobicContact CD2-CB 4.27Å; L953-L962 HydrophobicContact CD2-CD1 4.19Å; L953-L962 HydrophobicContact CG-CB 4.28Å; L953-L962 HydrophobicContact CG-CD1 4.16Å; L953-L962 WeakPolarHBondContact O-CB 3.2Å; L953-L962 PolarHBondContact O-N 3.48Å; D955-L962 HydrophobicContact CB-CD1 4.15Å; D955-L962 HydrophobicContact CB-CG 4.38Å; H960-L962 WeakPolarHBondContact CE1-CD2 3.32Å; H960-L962 PolarHBondContact O-N 3.28Å
963	C	91.7	Very high	91.7	Very high	16 Å²	16	44.1 Å²	44.1	11%	0.108	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	147.8	-174.3	-173.1	0	0	0	0	111.3	R952 L953 Y965 D1016	R952-C963 WeakPolarHBondContact CA-O 3.07Å; L953-C963 HydrophobicContact CB-CB 4.24Å; L953-C963 PolarHBondContact N-O 3.37Å; L953-C963 PolarHBondContact O-N 3.05Å; C963-Y965 HydrophobicContact CB-CE2 4.02Å; C963-D1016 CarbonylContact C-O 3.07Å; C963-D1016 WeakPolarHBondContact CA-O 3.36Å
964	K	92.6	Very high	91.5	Very high	45 Å²	45	44.9 Å²	44.9	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.9	176.2	-60.5	176.2	-176.2	162	0	110.3	L951 R952 T961 D1016 R1017 N1018	L951-K964 WeakPolarHBondContact O-CA 3.39Å; R952-K964 HydrophobicContact CG-CG 4.36Å; T961-K964 HydrophobicContact CG2-CG 3.96Å; K964-D1016 PolarHBondContact N-O 3.48Å; K964-R1017 WeakPolarHBondContact O-CA 3.42Å; K964-N1018 PolarHBondContact O-N 3.36Å
965	Y	94.1	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.9	176.8	-48.1	-100.3	0	0	0	110	R950 L951 L953 C963 L986 W998 K1000 N1018	R950-Y965 WeakPolarHBondContact CA-O 3.41Å; L951-Y965 HydrophobicContact CB-CD2 4.01Å; L951-Y965 HydrophobicContact CB-CG 4.41Å; L951-Y965 PolarHBondContact N-O 3.39Å; L951-Y965 VanDerWaalsContact N-O 3.1Å; L951-Y965 PolarHBondContact O-N 3.33Å; L953-Y965 HydrophobicContact CB-CE2 4.08Å; C963-Y965 HydrophobicContact CB-CE2 4.02Å; Y965-L986 HydrophobicContact CD1-CD1 3.8Å; Y965-L986 HydrophobicContact CD2-CD1 3.69Å; Y965-L986 HydrophobicContact CE1-CD1 3.57Å; Y965-L986 HydrophobicContact CE2-CD1 3.48Å; Y965-L986 VanDerWaalsContact CE2-CD1 3.48Å; Y965-L986 HydrophobicContact CG-CD1 3.86Å; Y965-L986 VanDerWaalsContact CZ-CD1 3.42Å; Y965-W998 HydrophobicContact CD1-CB 3.84Å; Y965-W998 AromaticContact CD1-CD1 3.83Å; Y965-W998 AromaticContact CD1-CG 3.86Å; Y965-W998 HydrophobicContact CD1-CG 3.86Å; Y965-W998 HydrophobicContact CE1-CB 4.32Å; Y965-W998 HydrophobicContact CG-CG 4.42Å; Y965-K1000 PolarHBondContact OH-O 3.46Å; Y965-N1018 WeakPolarHBondContact CA-O 3.15Å; Y965-N1018 HydrophobicContact CD1-CB 3.69Å; Y965-N1018 HydrophobicContact CE1-CB 3.73Å
966	R	90.7	Very high	91.7	Very high	64 Å²	64	47.1 Å²	47.1	24%	0.242	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162.1	-179.3	-73.5	-179.1	173.6	70.7	2	109.8	R950 W998 W1021	R950-R966 HydrophobicContact CG-CG 4.21Å; R966-W998 PolarHBondContact O-NE1 2.75Å; R966-W1021 PolarHBondContact O-NE1 3.01Å
967	G	87.1	Confident	91.9	Very high	31 Å²	31	47.1 Å²	47.1	32%	0.32	23%	0.233	S	C	.	.			trans	139.1	-44.2	171.6	0	0	0	0	0	112.5	Y996	G967-Y996 VanDerWaalsContact O-CE1 3.23Å; G967-Y996 WeakPolarHBondContact O-CE1 3.44Å; G967-Y996 VanDerWaalsContact O-CZ 3.29Å; G967-Y996 PolarHBondContact O-OH 3.12Å
968	F	93.9	Very high	92.1	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.022	21%	0.214	C	C	.	.			trans	-75.9	156.8	177.6	82	-63.5	0	0	0	112.7	T945 S949 L951 N970 I975 A988 Y996 W998	T945-F968 HydrophobicContact CG2-CE2 4.4Å; T945-F968 HydrophobicContact CG2-CZ 4.15Å; S949-F968 VanDerWaalsContact C-CE1 3.48Å; S949-F968 VanDerWaalsContact CB-O 3.26Å; S949-F968 WeakPolarHBondContact CB-O 3.5Å; L951-F968 HydrophobicContact CD2-CE1 3.67Å; L951-F968 HydrophobicContact CD2-CE2 4.43Å; L951-F968 HydrophobicContact CD2-CZ 3.54Å; L951-F968 HydrophobicContact CG-CE1 3.82Å; L951-F968 HydrophobicContact CG-CZ 4.22Å; F968-N970 HydrophobicContact CD2-CB 3.93Å; F968-N970 HydrophobicContact CE2-CB 3.4Å; F968-N970 VanDerWaalsContact CE2-CB 3.4Å; F968-N970 HydrophobicContact CZ-CB 4.17Å; F968-I975 HydrophobicContact CE2-CG2 4.39Å; F968-A988 HydrophobicContact CD2-CB 4.26Å; F968-A988 HydrophobicContact CE2-CB 4.49Å; F968-Y996 HydrophobicContact CB-CD1 4.27Å; F968-Y996 HydrophobicContact CB-CD2 3.38Å; F968-Y996 HydrophobicContact CB-CE2 3.81Å; F968-Y996 HydrophobicContact CB-CG 3.66Å; F968-W998 HydrophobicContact CB-CH2 3.93Å; F968-W998 HydrophobicContact CB-CZ2 4.25Å; F968-W998 AromaticContact CD1-CH2 3.71Å; F968-W998 HydrophobicContact CD1-CH2 3.71Å; F968-W998 AromaticContact CD1-CZ2 3.84Å; F968-W998 HydrophobicContact CD1-CZ2 3.84Å; F968-W998 HydrophobicContact CE1-CH2 4.49Å; F968-W998 AromaticContact CG-CH2 3.96Å; F968-W998 HydrophobicContact CG-CH2 3.96Å; F968-W998 HydrophobicContact CG-CZ2 4.38Å
969	L	93.6	Very high	92.4	Very high	59 Å²	59	37.9 Å²	37.9	31%	0.309	19%	0.194	S	C	.	.			trans	-102	126.3	172.5	-172.6	68.6	0	0	0	110.8	E971 S990 E991 N992	L969-E971 HydrophobicContact CD1-CG 3.7Å; L969-E971 HydrophobicContact CG-CG 4.34Å; L969-S990 WeakPolarHBondContact CA-OG 3.48Å; L969-S990 WeakPolarHBondContact CB-OG 3.26Å; L969-S990 PolarHBondContact N-OG 3.1Å; L969-S990 WeakPolarHBondContact O-CA 3.33Å; L969-S990 PolarHBondContact O-OG 2.82Å; L969-E991 HydrophobicContact CB-CB 4.48Å; L969-E991 HydrophobicContact CD2-CB 4.01Å; L969-E991 HydrophobicContact CG-CB 4.18Å; L969-E991 PolarHBondContact O-N 3.38Å; L969-E991 VanDerWaalsContact O-N 3.12Å; L969-N992 HydrophobicContact CD2-CB 4.47Å
970	N	93.5	Very high	92.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.			trans	-152.7	90.6	173.6	176	41.7	0	0	0	108.6	S946 N947 S949 F968 S973 I975	S946-N970 PolarHBondContact O-ND2 2.92Å; S946-N970 VanDerWaalsContact O-ND2 3.15Å; N947-N970 CarbonylContact C-O 3.6Å; N947-N970 WeakPolarHBondContact CA-O 3.49Å; S949-N970 PolarHBondContact OG-N 3.12Å; S949-N970 PolarHBondContact OG-O 3.36Å; F968-N970 HydrophobicContact CD2-CB 3.93Å; F968-N970 HydrophobicContact CE2-CB 3.4Å; F968-N970 VanDerWaalsContact CE2-CB 3.4Å; F968-N970 HydrophobicContact CZ-CB 4.17Å; N970-S973 PolarHBondContact OD1-O 3.15Å; N970-I975 HydrophobicContact CB-CB 4.41Å; N970-I975 HydrophobicContact CB-CG1 4.37Å
971	E	89	Confident	92.5	Very high	118 Å²	118	33.3 Å²	33.3	55%	0.551	18%	0.179	S	C	*	.	S	Bend	trans	-104.6	-46.8	-178.7	-59.7	-168.7	156.6	0	0	112	R928 N947 L969 E991	R928-E971 PolarHBondContact NH2-O 3.5Å; N947-E971 PolarHBondContact ND2-O 2.88Å; L969-E971 HydrophobicContact CD1-CG 3.7Å; L969-E971 HydrophobicContact CG-CG 4.34Å; E971-E991 PolarHBondContact N-OE1 2.95Å; E971-E991 PolarHBondContact N-OE2 3.1Å
972	T	85	Confident	92.3	Very high	87 Å²	87	34.8 Å²	34.8	53%	0.534	19%	0.188	S	C	.	.	S	Bend	trans	-115.6	-15.4	-171.3	63.4	0	0	0	0	113	E446 R928 E991	E446-T972 WeakPolarHBondContact CG-O 3.45Å; R928-T972 VanDerWaalsContact NH2-CA 3.27Å; R928-T972 PolarHBondContact NH2-O 2.84Å; T972-E991 PolarHBondContact N-OE1 3.43Å; T972-E991 PolarHBondContact OG1-OE1 2.82Å
973	S	88.1	Confident	92.2	Very high	13 Å²	13	32.1 Å²	32.1	9%	0.091	18%	0.175	C	C	.	.	S	Bend	trans	-89.7	174.7	-174	-60.5	0	0	0	0	113.3	R928 N970 E991 M1030	R928-S973 PolarHBondContact NH1-O 3Å; R928-S973 PolarHBondContact NH2-O 2.93Å; N970-S973 PolarHBondContact OD1-O 3.15Å; S973-E991 WeakPolarHBondContact CB-OE1 3.17Å; S973-E991 PolarHBondContact N-OE1 2.98Å; S973-E991 WeakPolarHBondContact OG-CG 3.06Å; S973-E991 PolarHBondContact OG-OE1 3.2Å; S973-M1030 PolarHBondContact OG-SD 2.9Å
974	Q	92.2	Very high	92.1	Very high	27 Å²	27	36.3 Å²	36.3	13%	0.126	19%	0.189	C	C	.	.			trans	-109.9	52.6	171.7	-65.6	-164.2	16.5	0	0	111.2	E446 R976	E446-Q974 HydrophobicContact CB-CG 4.47Å; E446-Q974 VanDerWaalsContact OE2-CG 3.29Å; E446-Q974 WeakPolarHBondContact OE2-CG 3.03Å; E446-Q974 PolarHBondContact OE2-NE2 3.25Å; Q974-R976 PolarHBondContact O-N 3.35Å
975	I	95.7	Very high	92.2	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	18%	0.18	C	C	.	.			trans	-64.2	137.4	176.9	-58.8	-55.2	0	0	0	109.6	T930 T945 F968 N970 A988 G989 M1030 V1031 T1032	T930-I975 WeakPolarHBondContact CB-O 3.29Å; T930-I975 PolarHBondContact OG1-O 3.41Å; T945-I975 WeakPolarHBondContact CG2-O 3.43Å; F968-I975 HydrophobicContact CE2-CG2 4.39Å; N970-I975 HydrophobicContact CB-CB 4.41Å; N970-I975 HydrophobicContact CB-CG1 4.37Å; I975-A988 HydrophobicContact CG2-CB 4.42Å; I975-G989 WeakPolarHBondContact CG2-O 3.4Å; I975-M1030 HydrophobicContact CD1-SD 4.23Å; I975-V1031 WeakPolarHBondContact CD1-O 3.36Å; I975-T1032 WeakPolarHBondContact CD1-O 3.07Å
976	R	96.9	Very high	92.4	Very high	54 Å²	54	34.3 Å²	34.3	20%	0.204	18%	0.18	C	C	.	.			trans	-115.8	119.1	177	-47.8	-178	71.8	81.2	-18.1	108.6	E750 T930 A931 Q974	E750-R976 IonicContact OE1-CZ 3.88Å; E750-R976 IonicContact OE1-NE 3.53Å; E750-R976 PolarHBondContact OE1-NE 2.94Å; E750-R976 IonicContact OE1-NH2 2.96Å; E750-R976 PolarHBondContact OE1-NH2 3.45Å; E750-R976 IonicContact OE2-NH2 3.77Å; T930-R976 PolarHBondContact O-NH1 3.37Å; A931-R976 HydrophobicContact CB-CB 3.65Å; A931-R976 HydrophobicContact CB-CG 3.79Å; Q974-R976 PolarHBondContact O-N 3.35Å
977	A	98	Very high	92.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.169	C	C	.	.			trans	-84.5	147.6	170.6	0	0	0	0	0	110.4	L943 T945 L951 I987 A988	L943-A977 HydrophobicContact CD2-CB 3.87Å; T945-A977 HydrophobicContact CG2-CB 4.45Å; T945-A977 WeakPolarHBondContact OG1-CB 3.06Å; T945-A977 PolarHBondContact OG1-N 2.84Å; L951-A977 HydrophobicContact CD1-CB 3.79Å; L951-A977 HydrophobicContact CD2-CB 3.49Å; L951-A977 VanDerWaalsContact CD2-CB 3.49Å; L951-A977 HydrophobicContact CG-CB 4.28Å; A977-I987 CarbonylContact C-O 3.59Å; A977-I987 WeakPolarHBondContact CA-O 3.16Å; A977-I987 WeakPolarHBondContact CB-O 3.43Å; A977-A988 HydrophobicContact CB-CB 3.78Å
978	S	97.6	Very high	93.2	Very high	10 Å²	10	29.8 Å²	29.8	7%	0.07	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	163	178.8	78.5	0	0	0	0	112.7	E933 L986 I987	E933-S978 WeakPolarHBondContact OE1-CA 2.99Å; E933-S978 WeakPolarHBondContact OE1-CB 3.4Å; E933-S978 WeakPolarHBondContact OE2-CA 3.21Å; E933-S978 WeakPolarHBondContact OE2-CB 3.41Å; S978-L986 WeakPolarHBondContact O-CA 3.35Å; S978-I987 PolarHBondContact N-O 3.47Å; S978-I987 PolarHBondContact O-N 3.34Å; S978-I987 VanDerWaalsContact OG-CG2 3.29Å; S978-I987 WeakPolarHBondContact OG-CG2 3.3Å
979	F	96.9	Very high	93.4	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.044	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	156.2	171.6	-68	-86.8	0	0	0	111.4	E933 D935 P936 L943 L953 L986 K1000	E933-F979 HydrophobicContact CB-CD2 4.41Å; E933-F979 HydrophobicContact CB-CE2 4.41Å; E933-F979 HydrophobicContact CG-CD2 4.07Å; E933-F979 HydrophobicContact CG-CE2 4.47Å; E933-F979 PolarHBondContact OE1-N 3.46Å; D935-F979 HydrophobicContact CB-CE1 4.08Å; D935-F979 HydrophobicContact CB-CE2 3.99Å; D935-F979 HydrophobicContact CB-CZ 3.67Å; P936-F979 HydrophobicContact CG-CB 3.92Å; P936-F979 HydrophobicContact CG-CG 4.46Å; L943-F979 HydrophobicContact CB-CD2 4.47Å; L943-F979 HydrophobicContact CB-CE2 3.47Å; L943-F979 VanDerWaalsContact CB-CE2 3.47Å; L943-F979 HydrophobicContact CB-CZ 3.53Å; L943-F979 HydrophobicContact CD2-CE2 4.21Å; L943-F979 HydrophobicContact CD2-CZ 4.35Å; L943-F979 HydrophobicContact CG-CE2 4.45Å; L943-F979 HydrophobicContact CG-CZ 4.39Å; L953-F979 HydrophobicContact CD1-CE1 4.34Å; L953-F979 HydrophobicContact CD1-CZ 4.02Å; F979-L986 HydrophobicContact CD1-CD2 3.23Å; F979-L986 HydrophobicContact CE1-CD2 3.3Å; F979-L986 HydrophobicContact CG-CD2 4.11Å; F979-L986 HydrophobicContact CZ-CD2 4.23Å; F979-K1000 HydrophobicContact CE1-CD 4.25Å
980	S	94.9	Very high	93.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	14%	0.138	C	C	.	.			trans	-69.4	157	157.2	74.2	0	0	0	0	109.8	T982 G983 R984 Y985	S980-T982 PolarHBondContact O-N 2.73Å; S980-T982 PolarHBondContact OG-OG1 2.81Å; S980-G983 WeakPolarHBondContact O-CA 3.49Å; S980-G983 PolarHBondContact O-N 3.37Å; S980-R984 PolarHBondContact OG-N 2.97Å; S980-R984 VanDerWaalsContact OG-N 3.08Å; S980-Y985 PolarHBondContact N-O 3Å; S980-Y985 PolarHBondContact OG-N 2.95Å
981	P	89.7	Confident	93.7	Very high	48 Å²	48	28.6 Å²	28.6	31%	0.312	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.8	-175.8	-19.4	31.6	0	0	0	112.8	G983 F1036 S1037 P1038	P981-G983 PolarHBondContact O-N 2.92Å; P981-F1036 HydrophobicContact CG-CB 4.38Å; P981-S1037 WeakPolarHBondContact CG-O 3.45Å; P981-P1038 VanDerWaalsContact CG-CA 3.44Å
982	T	86.1	Confident	93.9	Very high	78 Å²	78	25.5 Å²	25.5	48%	0.479	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.7	174.5	53.7	0	0	0	0	113.5	S937 S980 R984	S937-T982 PolarHBondContact OG-O 3.11Å; S980-T982 PolarHBondContact O-N 2.73Å; S980-T982 PolarHBondContact OG-OG1 2.81Å; T982-R984 PolarHBondContact O-N 3.49Å
983	G	89.7	Confident	94.3	Very high	4 Å²	4	21.7 Å²	21.7	4%	0.041	11%	0.111	C	C	.	.	S	Bend	trans	66.4	7.5	-171.9	0	0	0	0	0	114.2	S980 P981 K1000	S980-G983 WeakPolarHBondContact O-CA 3.49Å; S980-G983 PolarHBondContact O-N 3.37Å; P981-G983 PolarHBondContact O-N 2.92Å; G983-K1000 WeakPolarHBondContact O-CD 3.25Å
984	R	89.4	Confident	94.7	Very high	104 Å²	104	21.4 Å²	21.4	39%	0.392	11%	0.108	S	C	.	.	S	Bend	trans	-74.2	-33.8	-178	-179.1	173.2	169.2	169	-4.2	113.3	E542 S980 T982 K1000	E542-R984 VanDerWaalsContact CD-NH2 3.29Å; E542-R984 IonicContact OE1-CZ 2.62Å; E542-R984 IonicContact OE1-NH2 3.74Å; E542-R984 PolarHBondContact OE1-NH2 2.84Å; E542-R984 IonicContact OE2-CZ 3.45Å; E542-R984 IonicContact OE2-NE 3.56Å; E542-R984 IonicContact OE2-NH2 3.99Å; E542-R984 PolarHBondContact OE2-NH2 2.86Å; E542-R984 VanDerWaalsContact OE2-NH2 3.09Å; S980-R984 PolarHBondContact OG-N 2.97Å; S980-R984 VanDerWaalsContact OG-N 3.08Å; T982-R984 PolarHBondContact O-N 3.49Å; R984-K1000 WeakPolarHBondContact O-CB 3.26Å; R984-K1000 PolarHBondContact O-N 2.82Å
985	Y	94.4	Very high	95	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.016	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	160.3	-176.5	-46.3	-82.4	0	0	0	112.1	E542 F543 S980 I997 W998 F1036 E1110	E542-Y985 VanDerWaalsContact OE2-CE1 3.25Å; E542-Y985 WeakPolarHBondContact OE2-CE1 3.5Å; E542-Y985 PolarHBondContact OE2-OH 3.46Å; F543-Y985 HydrophobicContact CE2-CD1 4.12Å; F543-Y985 AromaticContact CE2-CE1 3.98Å; F543-Y985 HydrophobicContact CE2-CE1 3.98Å; F543-Y985 HydrophobicContact CZ-CD1 4.43Å; F543-Y985 HydrophobicContact CZ-CD2 4.5Å; F543-Y985 HydrophobicContact CZ-CE1 4.39Å; F543-Y985 HydrophobicContact CZ-CE2 4.46Å; F543-Y985 HydrophobicContact CZ-CG 4.48Å; S980-Y985 PolarHBondContact N-O 3Å; S980-Y985 PolarHBondContact OG-N 2.95Å; Y985-I997 HydrophobicContact CD1-CG2 4.31Å; Y985-I997 HydrophobicContact CG-CG2 4.36Å; Y985-W998 CarbonylContact C-O 3.45Å; Y985-W998 WeakPolarHBondContact CA-O 3.45Å; Y985-W998 WeakPolarHBondContact CB-O 3.39Å; Y985-F1036 HydrophobicContact CD2-CZ 4.45Å; Y985-F1036 HydrophobicContact CG-CZ 4.5Å; Y985-E1110 HydrophobicContact CE2-CG 4.28Å
986	L	97.2	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.5	166.3	-48.4	-179.7	0	0	0	108	L943 L951 Y965 S978 F979 I997 W998 K1000	L943-L986 HydrophobicContact CD1-CD1 3.95Å; L943-L986 HydrophobicContact CD1-CD2 4.46Å; L943-L986 HydrophobicContact CD2-CD2 4.16Å; L951-L986 HydrophobicContact CD1-CD1 4.4Å; Y965-L986 HydrophobicContact CD1-CD1 3.8Å; Y965-L986 HydrophobicContact CD2-CD1 3.69Å; Y965-L986 HydrophobicContact CE1-CD1 3.57Å; Y965-L986 HydrophobicContact CE2-CD1 3.48Å; Y965-L986 VanDerWaalsContact CE2-CD1 3.48Å; Y965-L986 HydrophobicContact CG-CD1 3.86Å; Y965-L986 VanDerWaalsContact CZ-CD1 3.42Å; S978-L986 WeakPolarHBondContact O-CA 3.35Å; F979-L986 HydrophobicContact CD1-CD2 3.23Å; F979-L986 HydrophobicContact CE1-CD2 3.3Å; F979-L986 HydrophobicContact CG-CD2 4.11Å; F979-L986 HydrophobicContact CZ-CD2 4.23Å; L986-I997 CarbonylContact O-C 3.39Å; L986-I997 VanDerWaalsContact O-CA 3.26Å; L986-I997 WeakPolarHBondContact O-CA 3.41Å; L986-W998 HydrophobicContact CB-CB 4.3Å; L986-W998 HydrophobicContact CB-CE3 4.07Å; L986-W998 PolarHBondContact N-O 3.33Å; L986-W998 PolarHBondContact O-N 3.4Å; L986-K1000 HydrophobicContact CD2-CB 4.4Å; L986-K1000 HydrophobicContact CG-CB 4.49Å
987	I	98.1	Very high	95	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.2	173.6	-173	167.2	0	0	0	110.6	A977 S978 F995 Y996 I997 A1034 F1036 V1112	A977-I987 CarbonylContact C-O 3.59Å; A977-I987 WeakPolarHBondContact CA-O 3.16Å; A977-I987 WeakPolarHBondContact CB-O 3.43Å; S978-I987 PolarHBondContact N-O 3.47Å; S978-I987 PolarHBondContact O-N 3.34Å; S978-I987 VanDerWaalsContact OG-CG2 3.29Å; S978-I987 WeakPolarHBondContact OG-CG2 3.3Å; I987-F995 HydrophobicContact CD1-CD2 3.96Å; I987-F995 HydrophobicContact CD1-CE2 4.39Å; I987-F995 HydrophobicContact CD1-CG 4.36Å; I987-F995 HydrophobicContact CG1-CD2 4.31Å; I987-Y996 CarbonylContact C-O 3.58Å; I987-Y996 VanDerWaalsContact CA-O 3.27Å; I987-Y996 WeakPolarHBondContact CA-O 3.27Å; I987-I997 HydrophobicContact CD1-CG1 4.34Å; I987-I997 HydrophobicContact CG1-CG1 4.27Å; I987-A1034 HydrophobicContact CD1-CB 3.88Å; I987-A1034 HydrophobicContact CG1-CB 3.97Å; I987-F1036 HydrophobicContact CB-CD2 4.05Å; I987-F1036 HydrophobicContact CB-CE2 3.58Å; I987-F1036 HydrophobicContact CB-CZ 4.36Å; I987-F1036 HydrophobicContact CD1-CE2 4.3Å; I987-F1036 HydrophobicContact CD1-CZ 4.48Å; I987-F1036 HydrophobicContact CG2-CD2 3.55Å; I987-F1036 HydrophobicContact CG2-CE2 3.63Å; I987-V1112 HydrophobicContact CD1-CG1 3.5Å; I987-V1112 HydrophobicContact CD1-CG2 4.18Å
988	A	98.3	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.2	172	0	0	0	0	0	110.4	F968 I975 A977 F995 Y996 W998	F968-A988 HydrophobicContact CD2-CB 4.26Å; F968-A988 HydrophobicContact CE2-CB 4.49Å; I975-A988 HydrophobicContact CG2-CB 4.42Å; A977-A988 HydrophobicContact CB-CB 3.78Å; A988-F995 CarbonylContact O-C 3.52Å; A988-F995 WeakPolarHBondContact O-CA 3.32Å; A988-F995 WeakPolarHBondContact O-CB 3.37Å; A988-Y996 PolarHBondContact N-O 3.21Å; A988-Y996 PolarHBondContact O-N 2.82Å; A988-W998 HydrophobicContact CB-CH2 4.02Å; A988-W998 HydrophobicContact CB-CZ3 3.81Å
989	G	97.5	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	174.3	163.3	0	0	0	0	0	111.7	I975 V1031	I975-G989 WeakPolarHBondContact CG2-O 3.4Å; G989-V1031 WeakPolarHBondContact CA-O 3.47Å
990	S	97	Very high	94.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.			trans	-153.7	150.2	177.4	-169.3	0	0	0	0	111.9	L969 N992 A993 F994 V1031	L969-S990 WeakPolarHBondContact CA-OG 3.48Å; L969-S990 WeakPolarHBondContact CB-OG 3.26Å; L969-S990 PolarHBondContact N-OG 3.1Å; L969-S990 WeakPolarHBondContact O-CA 3.33Å; L969-S990 PolarHBondContact O-OG 2.82Å; S990-N992 WeakPolarHBondContact CB-OD1 3.26Å; S990-N992 PolarHBondContact O-N 3.39Å; S990-N992 PolarHBondContact OG-OD1 2.92Å; S990-N992 VanDerWaalsContact OG-OD1 3.08Å; S990-A993 PolarHBondContact O-N 3.42Å; S990-F994 WeakPolarHBondContact CB-O 3.4Å; S990-F994 PolarHBondContact N-O 3.4Å; S990-V1031 PolarHBondContact N-O 3.14Å; S990-V1031 PolarHBondContact O-N 2.85Å
991	E	95.5	Very high	93.4	Very high	39 Å²	39	24.1 Å²	24.1	18%	0.182	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.9	175.5	-69.2	175.6	160.3	0	0	112.6	L969 E971 T972 S973 A993 M1030	L969-E991 HydrophobicContact CB-CB 4.48Å; L969-E991 HydrophobicContact CD2-CB 4.01Å; L969-E991 HydrophobicContact CG-CB 4.18Å; L969-E991 PolarHBondContact O-N 3.38Å; L969-E991 VanDerWaalsContact O-N 3.12Å; E971-E991 PolarHBondContact N-OE1 2.95Å; E971-E991 PolarHBondContact N-OE2 3.1Å; T972-E991 PolarHBondContact N-OE1 3.43Å; T972-E991 PolarHBondContact OG1-OE1 2.82Å; S973-E991 WeakPolarHBondContact CB-OE1 3.17Å; S973-E991 PolarHBondContact N-OE1 2.98Å; S973-E991 WeakPolarHBondContact OG-CG 3.06Å; S973-E991 PolarHBondContact OG-OE1 3.2Å; E991-A993 VanDerWaalsContact C-N 3.27Å; E991-A993 PolarHBondContact O-N 2.88Å; E991-M1030 HydrophobicContact CB-SD 4.49Å; E991-M1030 HydrophobicContact CG-SD 3.8Å
992	N	93.7	Very high	92.3	Very high	53 Å²	53	23.9 Å²	23.9	28%	0.283	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	14.7	-179.5	71.4	0.3	0	0	0	114.9	L969 S990 F994 Y996	L969-N992 HydrophobicContact CD2-CB 4.47Å; S990-N992 WeakPolarHBondContact CB-OD1 3.26Å; S990-N992 PolarHBondContact O-N 3.39Å; S990-N992 PolarHBondContact OG-OD1 2.92Å; S990-N992 VanDerWaalsContact OG-OD1 3.08Å; N992-F994 VanDerWaalsContact C-N 3.29Å; N992-F994 VanDerWaalsContact O-CD2 3.26Å; N992-F994 WeakPolarHBondContact O-CD2 3.41Å; N992-F994 PolarHBondContact O-N 2.96Å; N992-F994 WeakPolarHBondContact OD1-CB 3.18Å; N992-F994 PolarHBondContact OD1-N 3.26Å; N992-Y996 PolarHBondContact ND2-OH 3.43Å
993	A	94.3	Very high	90.8	Very high	7 Å²	7	23.1 Å²	23.1	6%	0.058	12%	0.119	C	C	.	.	S	Bend	trans	73	7	-179.9	0	0	0	0	0	116.9	S990 E991 A1026 H1027 T1029 V1031	S990-A993 PolarHBondContact O-N 3.42Å; E991-A993 VanDerWaalsContact C-N 3.27Å; E991-A993 PolarHBondContact O-N 2.88Å; A993-A1026 PolarHBondContact O-N 2.93Å; A993-H1027 WeakPolarHBondContact CB-O 3.36Å; A993-H1027 PolarHBondContact O-N 2.87Å; A993-T1029 WeakPolarHBondContact CA-O 3.36Å; A993-T1029 WeakPolarHBondContact CB-O 3.36Å; A993-V1031 WeakPolarHBondContact O-CG2 3.13Å
994	F	96.3	Very high	89	Confident	7 Å²	7	25.5 Å²	25.5	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	155.2	170.1	-66.9	-108.3	0	0	0	111	R532 S990 N992 Y996 A1023 I1024 K1025 V1031	R532-F994 HydrophobicContact CG-CE1 3.99Å; R532-F994 HydrophobicContact CG-CZ 4.38Å; S990-F994 WeakPolarHBondContact CB-O 3.4Å; S990-F994 PolarHBondContact N-O 3.4Å; N992-F994 VanDerWaalsContact C-N 3.29Å; N992-F994 VanDerWaalsContact O-CD2 3.26Å; N992-F994 WeakPolarHBondContact O-CD2 3.41Å; N992-F994 PolarHBondContact O-N 2.96Å; N992-F994 WeakPolarHBondContact OD1-CB 3.18Å; N992-F994 PolarHBondContact OD1-N 3.26Å; F994-Y996 HydrophobicContact CB-CD2 4.28Å; F994-Y996 HydrophobicContact CB-CE2 3.81Å; F994-A1023 HydrophobicContact CB-CB 4.23Å; F994-A1023 HydrophobicContact CD1-CB 3.88Å; F994-A1023 HydrophobicContact CG-CB 4.37Å; F994-I1024 VanDerWaalsContact CA-O 3.26Å; F994-I1024 WeakPolarHBondContact CA-O 3.44Å; F994-K1025 HydrophobicContact CD1-CB 3.92Å; F994-K1025 HydrophobicContact CD2-CG 4.48Å; F994-K1025 HydrophobicContact CE1-CB 3.54Å; F994-K1025 HydrophobicContact CE1-CG 4.33Å; F994-K1025 HydrophobicContact CE2-CB 4.22Å; F994-K1025 HydrophobicContact CE2-CG 4.12Å; F994-K1025 HydrophobicContact CG-CB 4.4Å; F994-K1025 HydrophobicContact CZ-CB 3.69Å; F994-K1025 HydrophobicContact CZ-CD 4.41Å; F994-K1025 HydrophobicContact CZ-CG 4.03Å; F994-V1031 WeakPolarHBondContact O-CG2 3.25Å
995	F	97.4	Very high	87.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	147.7	150	62.4	-107.2	0	0	0	109.3	I546 I987 A988 I997 A1023 I1024 A1026 V1031 A1034 V1112 F1124	I546-F995 HydrophobicContact CD1-CE2 4.5Å; I546-F995 HydrophobicContact CD1-CZ 4.09Å; I987-F995 HydrophobicContact CD1-CD2 3.96Å; I987-F995 HydrophobicContact CD1-CE2 4.39Å; I987-F995 HydrophobicContact CD1-CG 4.36Å; I987-F995 HydrophobicContact CG1-CD2 4.31Å; A988-F995 CarbonylContact O-C 3.52Å; A988-F995 WeakPolarHBondContact O-CA 3.32Å; A988-F995 WeakPolarHBondContact O-CB 3.37Å; F995-I997 HydrophobicContact CD2-CD1 4.28Å; F995-I997 HydrophobicContact CD2-CG1 4.03Å; F995-I997 HydrophobicContact CE2-CD1 3.87Å; F995-I997 HydrophobicContact CE2-CG1 4.13Å; F995-A1023 CarbonylContact O-C 3.46Å; F995-A1023 VanDerWaalsContact O-CA 3.3Å; F995-A1023 WeakPolarHBondContact O-CA 3.36Å; F995-I1024 HydrophobicContact CD2-CB 4.26Å; F995-I1024 HydrophobicContact CD2-CD1 4.29Å; F995-I1024 HydrophobicContact CE1-CB 4.17Å; F995-I1024 HydrophobicContact CE1-CG2 4.24Å; F995-I1024 HydrophobicContact CE2-CB 3.63Å; F995-I1024 HydrophobicContact CE2-CD1 3.64Å; F995-I1024 HydrophobicContact CE2-CG1 3.83Å; F995-I1024 HydrophobicContact CE2-CG2 4.4Å; F995-I1024 HydrophobicContact CZ-CB 3.58Å; F995-I1024 HydrophobicContact CZ-CD1 4.35Å; F995-I1024 HydrophobicContact CZ-CG1 4.03Å; F995-I1024 HydrophobicContact CZ-CG2 3.84Å; F995-I1024 PolarHBondContact N-O 2.91Å; F995-I1024 PolarHBondContact O-N 3.25Å; F995-A1026 HydrophobicContact CD1-CB 3.32Å; F995-A1026 HydrophobicContact CE1-CB 3.41Å; F995-A1026 VanDerWaalsContact CE1-CB 3.41Å; F995-A1026 HydrophobicContact CG-CB 4.48Å; F995-V1031 HydrophobicContact CB-CG1 4.4Å; F995-A1034 HydrophobicContact CB-CB 3.75Å; F995-A1034 HydrophobicContact CD1-CB 4.42Å; F995-A1034 HydrophobicContact CG-CB 4.22Å; F995-V1112 HydrophobicContact CE1-CG1 4.18Å; F995-V1112 HydrophobicContact CE2-CG1 4.26Å; F995-V1112 HydrophobicContact CZ-CG1 3.98Å; F995-F1124 HydrophobicContact CE1-CD2 4.01Å; F995-F1124 AromaticContact CE1-CE2 3.79Å; F995-F1124 HydrophobicContact CE1-CE2 3.79Å; F995-F1124 HydrophobicContact CE1-CZ 4.17Å; F995-F1124 HydrophobicContact CZ-CD2 4.3Å; F995-F1124 HydrophobicContact CZ-CE2 4.46Å
996	Y	97.3	Very high	85	Confident	7 Å²	7	34.8 Å²	34.8	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.1	-178.7	-74.4	-105.2	0	0	0	109.7	G967 F968 I987 A988 N992 F994 W998 W1021 E1022 A1023	G967-Y996 VanDerWaalsContact O-CE1 3.23Å; G967-Y996 WeakPolarHBondContact O-CE1 3.44Å; G967-Y996 VanDerWaalsContact O-CZ 3.29Å; G967-Y996 PolarHBondContact O-OH 3.12Å; F968-Y996 HydrophobicContact CB-CD1 4.27Å; F968-Y996 HydrophobicContact CB-CD2 3.38Å; F968-Y996 HydrophobicContact CB-CE2 3.81Å; F968-Y996 HydrophobicContact CB-CG 3.66Å; I987-Y996 CarbonylContact C-O 3.58Å; I987-Y996 VanDerWaalsContact CA-O 3.27Å; I987-Y996 WeakPolarHBondContact CA-O 3.27Å; A988-Y996 PolarHBondContact N-O 3.21Å; A988-Y996 PolarHBondContact O-N 2.82Å; N992-Y996 PolarHBondContact ND2-OH 3.43Å; F994-Y996 HydrophobicContact CB-CD2 4.28Å; F994-Y996 HydrophobicContact CB-CE2 3.81Å; Y996-W998 HydrophobicContact CD1-CZ2 4.35Å; Y996-W998 HydrophobicContact CG-CH2 4.11Å; Y996-W998 HydrophobicContact CG-CZ2 4.26Å; Y996-W998 VanDerWaalsContact O-CZ3 3.31Å; Y996-W998 WeakPolarHBondContact O-CZ3 2.99Å; Y996-W1021 AromaticContact CD1-CD2 3.88Å; Y996-W1021 HydrophobicContact CD1-CD2 3.88Å; Y996-W1021 AromaticContact CD1-CE3 3.7Å; Y996-W1021 HydrophobicContact CD1-CE3 3.7Å; Y996-W1021 HydrophobicContact CD1-CG 4.25Å; Y996-W1021 HydrophobicContact CD1-CZ3 4.26Å; Y996-W1021 AromaticContact CE1-CD2 3.95Å; Y996-W1021 HydrophobicContact CE1-CD2 3.95Å; Y996-W1021 AromaticContact CE1-CE3 3.65Å; Y996-W1021 HydrophobicContact CE1-CE3 3.65Å; Y996-W1021 HydrophobicContact CE1-CH2 4.12Å; Y996-W1021 HydrophobicContact CE1-CZ2 4.38Å; Y996-W1021 AromaticContact CE1-CZ3 3.75Å; Y996-W1021 HydrophobicContact CE1-CZ3 3.75Å; Y996-E1022 CarbonylContact C-O 3.6Å; Y996-E1022 WeakPolarHBondContact CA-O 3.41Å; Y996-A1023 HydrophobicContact CD1-CB 3.69Å; Y996-A1023 HydrophobicContact CD2-CB 4.3Å; Y996-A1023 HydrophobicContact CE1-CB 3.58Å; Y996-A1023 HydrophobicContact CE2-CB 4.2Å; Y996-A1023 HydrophobicContact CG-CB 4.05Å
997	I	96.3	Very high	83	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.7	175.7	-52.7	-178.3	0	0	0	108.9	F543 Y985 L986 I987 F995 W1021 E1022 I1024 F1036	F543-I997 HydrophobicContact CD1-CD1 3.63Å; F543-I997 HydrophobicContact CD2-CD1 4.1Å; F543-I997 HydrophobicContact CD2-CG2 4.32Å; F543-I997 HydrophobicContact CE1-CD1 3.51Å; F543-I997 HydrophobicContact CE2-CB 4.44Å; F543-I997 HydrophobicContact CE2-CD1 4.01Å; F543-I997 HydrophobicContact CE2-CG2 3.68Å; F543-I997 HydrophobicContact CG-CD1 3.93Å; F543-I997 HydrophobicContact CZ-CD1 3.72Å; F543-I997 HydrophobicContact CZ-CG2 3.92Å; Y985-I997 HydrophobicContact CD1-CG2 4.31Å; Y985-I997 HydrophobicContact CG-CG2 4.36Å; L986-I997 CarbonylContact O-C 3.39Å; L986-I997 VanDerWaalsContact O-CA 3.26Å; L986-I997 WeakPolarHBondContact O-CA 3.41Å; I987-I997 HydrophobicContact CD1-CG1 4.34Å; I987-I997 HydrophobicContact CG1-CG1 4.27Å; F995-I997 HydrophobicContact CD2-CD1 4.28Å; F995-I997 HydrophobicContact CD2-CG1 4.03Å; F995-I997 HydrophobicContact CE2-CD1 3.87Å; F995-I997 HydrophobicContact CE2-CG1 4.13Å; I997-W1021 VanDerWaalsContact O-CA 3.24Å; I997-W1021 WeakPolarHBondContact O-CA 3.25Å; I997-W1021 WeakPolarHBondContact O-CB 3.4Å; I997-E1022 PolarHBondContact N-O 3.3Å; I997-E1022 PolarHBondContact O-N 2.77Å; I997-I1024 HydrophobicContact CD1-CD1 4.23Å; I997-F1036 HydrophobicContact CD1-CZ 4.19Å; I997-F1036 HydrophobicContact CG2-CZ 4.17Å
998	W	94.4	Very high	80.8	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.9	172.3	-58.3	-100.7	0	0	0	109.7	L951 Y965 R966 F968 Y985 L986 A988 Y996 W1021	L951-W998 HydrophobicContact CD1-CD2 4.46Å; L951-W998 HydrophobicContact CD1-CE3 3.95Å; L951-W998 HydrophobicContact CD1-CH2 3.95Å; L951-W998 HydrophobicContact CD1-CZ2 4.49Å; L951-W998 HydrophobicContact CD1-CZ3 3.68Å; Y965-W998 HydrophobicContact CD1-CB 3.84Å; Y965-W998 AromaticContact CD1-CD1 3.83Å; Y965-W998 AromaticContact CD1-CG 3.86Å; Y965-W998 HydrophobicContact CD1-CG 3.86Å; Y965-W998 HydrophobicContact CE1-CB 4.32Å; Y965-W998 HydrophobicContact CG-CG 4.42Å; R966-W998 PolarHBondContact O-NE1 2.75Å; F968-W998 HydrophobicContact CB-CH2 3.93Å; F968-W998 HydrophobicContact CB-CZ2 4.25Å; F968-W998 AromaticContact CD1-CH2 3.71Å; F968-W998 HydrophobicContact CD1-CH2 3.71Å; F968-W998 AromaticContact CD1-CZ2 3.84Å; F968-W998 HydrophobicContact CD1-CZ2 3.84Å; F968-W998 HydrophobicContact CE1-CH2 4.49Å; F968-W998 AromaticContact CG-CH2 3.96Å; F968-W998 HydrophobicContact CG-CH2 3.96Å; F968-W998 HydrophobicContact CG-CZ2 4.38Å; Y985-W998 CarbonylContact C-O 3.45Å; Y985-W998 WeakPolarHBondContact CA-O 3.45Å; Y985-W998 WeakPolarHBondContact CB-O 3.39Å; L986-W998 HydrophobicContact CB-CB 4.3Å; L986-W998 HydrophobicContact CB-CE3 4.07Å; L986-W998 PolarHBondContact N-O 3.33Å; L986-W998 PolarHBondContact O-N 3.4Å; A988-W998 HydrophobicContact CB-CH2 4.02Å; A988-W998 HydrophobicContact CB-CZ3 3.81Å; Y996-W998 HydrophobicContact CD1-CZ2 4.35Å; Y996-W998 HydrophobicContact CG-CH2 4.11Å; Y996-W998 HydrophobicContact CG-CZ2 4.26Å; Y996-W998 VanDerWaalsContact O-CZ3 3.31Å; Y996-W998 WeakPolarHBondContact O-CZ3 2.99Å; W998-W1021 HydrophobicContact CD2-CB 4.39Å; W998-W1021 HydrophobicContact CG-CB 4.16Å; W998-W1021 AromaticContact NE1-CD1 3.82Å; W998-W1021 AromaticContact NE1-CG 3.95Å
999	Q	90.3	Very high	78.8	Confident	39 Å²	39	46.2 Å²	46.2	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.3	159.4	-166	179.8	-14.2	0	0	108.7	S1001 N1018	Q999-S1001 VanDerWaalsContact CG-O 3.3Å; Q999-S1001 WeakPolarHBondContact CG-O 3.41Å; Q999-S1001 PolarHBondContact NE2-O 3.25Å; Q999-N1018 PolarHBondContact O-ND2 3.13Å
1000	K	89.5	Confident	77.1	Confident	28 Å²	28	55.3 Å²	55.3	12%	0.122	28%	0.279	C	S	.	.	S	Bend	trans	-64.6	-57.8	-179.6	175.9	-170	173.4	-173.7	0	111.2	D935 Y965 F979 G983 R984 L986	D935-K1000 IonicContact OD1-NZ 3.48Å; D935-K1000 PolarHBondContact OD1-NZ 2.75Å; D935-K1000 WeakPolarHBondContact OD2-CE 3.39Å; D935-K1000 IonicContact OD2-NZ 2.64Å; D935-K1000 PolarHBondContact OD2-NZ 3.46Å; Y965-K1000 PolarHBondContact OH-O 3.46Å; F979-K1000 HydrophobicContact CE1-CD 4.25Å; G983-K1000 WeakPolarHBondContact O-CD 3.25Å; R984-K1000 WeakPolarHBondContact O-CB 3.26Å; R984-K1000 PolarHBondContact O-N 2.82Å; L986-K1000 HydrophobicContact CD2-CB 4.4Å; L986-K1000 HydrophobicContact CG-CB 4.49Å
1001	S	78.4	Confident	75.3	Confident	82 Å²	82	57.3 Å²	57.3	57%	0.573	29%	0.293	S	S	*	.	S	Bend	trans	-95.2	120.6	176.1	-61.3	0	0	0	0	109.4	Q999	Q999-S1001 VanDerWaalsContact CG-O 3.3Å; Q999-S1001 WeakPolarHBondContact CG-O 3.41Å; Q999-S1001 PolarHBondContact NE2-O 3.25Å
1002	L	66.7	Low	73.5	Confident	44 Å²	44	67.3 Å²	67.3	23%	0.23	33%	0.329	C	S	.	.			trans	-80.9	133.6	163.7	-163.4	67	0	0	0	107	V1004 I1007 C1020	L1002-V1004 VanDerWaalsContact C-N 3.29Å; L1002-V1004 WeakPolarHBondContact O-CG2 3.31Å; L1002-V1004 PolarHBondContact O-N 2.87Å; L1002-I1007 HydrophobicContact CD2-CD1 3.42Å; L1002-I1007 VanDerWaalsContact CD2-CD1 3.42Å; L1002-I1007 HydrophobicContact CD2-CG1 4.33Å; L1002-I1007 HydrophobicContact CG-CD1 3.95Å; L1002-C1020 HydrophobicContact CD1-CB 4.38Å
1003	D	56.2	Low	72	Confident	61 Å²	61	68.8 Å²	68.8	33%	0.326	34%	0.336	S	S	.	.			trans	-57.7	93.4	172.4	-79	-23.6	0	0	0	109.2	R540 D1005 K1006	R540-D1003 IonicContact NH1-OD2 3.15Å; D1003-D1005 PolarHBondContact O-N 3.34Å; D1003-K1006 HydrophobicContact CB-CB 4.1Å; D1003-K1006 HydrophobicContact CB-CD 3.93Å; D1003-K1006 HydrophobicContact CB-CG 4.02Å; D1003-K1006 PolarHBondContact O-N 3.13Å; D1003-K1006 WeakPolarHBondContact OD2-CD 3.24Å; D1003-K1006 WeakPolarHBondContact OD2-CE 3.44Å; D1003-K1006 IonicContact OD2-NZ 3.27Å; D1003-K1006 PolarHBondContact OD2-NZ 3.36Å
1004	V	51.7	Low	70.6	Confident	54 Å²	54	75.7 Å²	75.7	33%	0.327	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-62.4	-32.7	-178.7	-179.3	0	0	0	0	109.9	L1002 K1006 I1007 K1015	L1002-V1004 VanDerWaalsContact C-N 3.29Å; L1002-V1004 WeakPolarHBondContact O-CG2 3.31Å; L1002-V1004 PolarHBondContact O-N 2.87Å; V1004-K1006 PolarHBondContact O-N 3.4Å; V1004-I1007 WeakPolarHBondContact O-CB 3.13Å; V1004-I1007 PolarHBondContact O-N 2.85Å; V1004-K1015 HydrophobicContact CG1-CD 3.78Å; V1004-K1015 HydrophobicContact CG1-CG 4.25Å
1005	D	48.3	Very low	69.3	Low	163 Å²	163	80.8 Å²	80.8	87%	0.872	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-66.2	-24	-179.2	-55.4	-32.6	0	0	0	112.9	D1003	D1003-D1005 PolarHBondContact O-N 3.34Å
1006	K	51.5	Low	68.1	Low	140 Å²	140	83.4 Å²	83.4	61%	0.609	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-87.8	-9.5	175	-65.6	179.4	-174.4	155.8	0	112.8	D1003 V1004 S1008	D1003-K1006 HydrophobicContact CB-CB 4.1Å; D1003-K1006 HydrophobicContact CB-CD 3.93Å; D1003-K1006 HydrophobicContact CB-CG 4.02Å; D1003-K1006 PolarHBondContact O-N 3.13Å; D1003-K1006 WeakPolarHBondContact OD2-CD 3.24Å; D1003-K1006 WeakPolarHBondContact OD2-CE 3.44Å; D1003-K1006 IonicContact OD2-NZ 3.27Å; D1003-K1006 PolarHBondContact OD2-NZ 3.36Å; V1004-K1006 PolarHBondContact O-N 3.4Å; K1006-S1008 PolarHBondContact O-N 2.81Å
1007	I	54.3	Low	67.5	Low	30 Å²	30	87.2 Å²	87.2	15%	0.154	41%	0.411	C	S	.	.	S	Bend	trans	-85.6	104.9	175.5	-57.8	168.6	0	0	0	106.5	L1002 V1004 R1009 S1011 I1013	L1002-I1007 HydrophobicContact CD2-CD1 3.42Å; L1002-I1007 VanDerWaalsContact CD2-CD1 3.42Å; L1002-I1007 HydrophobicContact CD2-CG1 4.33Å; L1002-I1007 HydrophobicContact CG-CD1 3.95Å; V1004-I1007 WeakPolarHBondContact O-CB 3.13Å; V1004-I1007 PolarHBondContact O-N 2.85Å; I1007-R1009 PolarHBondContact O-N 2.83Å; I1007-S1011 VanDerWaalsContact CG2-CB 3.41Å; I1007-I1013 HydrophobicContact CG2-CB 4.5Å
1008	S	52.9	Low	67	Low	70 Å²	70	87.3 Å²	87.3	49%	0.49	41%	0.412	S	S	.	.			trans	-42.1	136.5	174.3	173.3	0	0	0	0	110.8	K1006 F1010 S1011	K1006-S1008 PolarHBondContact O-N 2.81Å; S1008-F1010 PolarHBondContact O-N 2.64Å; S1008-F1010 PolarHBondContact OG-N 2.79Å; S1008-S1011 WeakPolarHBondContact O-CA 3.28Å; S1008-S1011 WeakPolarHBondContact O-CB 3.1Å; S1008-S1011 PolarHBondContact O-N 3.01Å
1009	R	56.4	Low	66.5	Low	141 Å²	141	89.9 Å²	89.9	53%	0.532	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.1	175.8	-55.9	-174.4	-170.7	113.9	-1.2	112.4	E58 S62 I1007 S1011	E58-R1009 IonicContact OE1-NE 2.71Å; S62-R1009 VanDerWaalsContact CB-NH1 3.26Å; I1007-R1009 PolarHBondContact O-N 2.83Å; R1009-S1011 VanDerWaalsContact C-N 3.31Å
1010	F	60.4	Low	66.2	Low	190 Å²	190	88.7 Å²	88.7	83%	0.833	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.5	174.3	-55.6	-69.8	0	0	0	113.8	S1008 R1012	S1008-F1010 PolarHBondContact O-N 2.64Å; S1008-F1010 PolarHBondContact OG-N 2.79Å; F1010-R1012 PolarHBondContact O-N 3.49Å
1011	S	59.7	Low	66.4	Low	42 Å²	42	88.4 Å²	88.4	29%	0.294	42%	0.42	S	S	.	.			trans	-67.8	131.3	178.7	-175.8	0	0	0	0	110.6	I1007 S1008 R1009 I1013	I1007-S1011 VanDerWaalsContact CG2-CB 3.41Å; S1008-S1011 WeakPolarHBondContact O-CA 3.28Å; S1008-S1011 WeakPolarHBondContact O-CB 3.1Å; S1008-S1011 PolarHBondContact O-N 3.01Å; R1009-S1011 VanDerWaalsContact C-N 3.31Å; S1011-I1013 PolarHBondContact O-N 3.49Å; S1011-I1013 WeakPolarHBondContact OG-CB 3.42Å; S1011-I1013 WeakPolarHBondContact OG-CD1 3.4Å; S1011-I1013 VanDerWaalsContact OG-CG1 3.27Å; S1011-I1013 WeakPolarHBondContact OG-CG1 3.16Å; S1011-I1013 PolarHBondContact OG-N 2.95Å
1012	R	57.7	Low	67.1	Low	250 Å²	250	85.2 Å²	85.2	94%	0.943	40%	0.396	S	S	*	.			trans	-71.7	-3.6	172.6	-62	-177.8	-176.3	179.3	2.3	112.9	F1010 R1014	F1010-R1012 PolarHBondContact O-N 3.49Å; R1012-R1014 PolarHBondContact O-N 3.13Å
1013	I	61.5	Low	68.4	Low	84 Å²	84	83.1 Å²	83.1	43%	0.431	39%	0.385	S	S	.	.			trans	-72.5	118.2	-178.5	-60.5	170	0	0	0	108.7	I1007 S1011 K1015	I1007-I1013 HydrophobicContact CG2-CB 4.5Å; S1011-I1013 PolarHBondContact O-N 3.49Å; S1011-I1013 WeakPolarHBondContact OG-CB 3.42Å; S1011-I1013 WeakPolarHBondContact OG-CD1 3.4Å; S1011-I1013 VanDerWaalsContact OG-CG1 3.27Å; S1011-I1013 WeakPolarHBondContact OG-CG1 3.16Å; S1011-I1013 PolarHBondContact OG-N 2.95Å; I1013-K1015 PolarHBondContact O-N 3.21Å
1014	R	66.6	Low	70.3	Confident	152 Å²	152	80.2 Å²	80.2	57%	0.574	37%	0.369	S	S	*	.			trans	-72.2	129	176.6	-57.3	-173.3	175.2	170.5	-0.8	110	R1012 D1016 R1017	R1012-R1014 PolarHBondContact O-N 3.13Å; R1014-D1016 WeakPolarHBondContact CB-OD1 3.45Å; R1014-D1016 PolarHBondContact O-N 3.41Å; R1014-D1016 VanDerWaalsContact O-N 3.16Å; R1014-R1017 PolarHBondContact O-N 3.41Å; R1014-R1017 VanDerWaalsContact O-N 3.15Å
1015	K	67.3	Low	72.3	Confident	114 Å²	114	80.1 Å²	80.1	50%	0.496	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.6	-179	-61.7	-179.3	180	-178.5	0	113.3	E58 V1004 I1013 R1017	E58-K1015 IonicContact OE1-NZ 3.6Å; E58-K1015 PolarHBondContact OE1-NZ 3.36Å; E58-K1015 IonicContact OE2-NZ 2.83Å; V1004-K1015 HydrophobicContact CG1-CD 3.78Å; V1004-K1015 HydrophobicContact CG1-CG 4.25Å; I1013-K1015 PolarHBondContact O-N 3.21Å; K1015-R1017 VanDerWaalsContact C-N 3.27Å; K1015-R1017 PolarHBondContact O-N 2.63Å
1016	D	73.9	Confident	74.3	Confident	55 Å²	55	72.4 Å²	72.4	29%	0.294	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.5	178	74.8	-52.3	0	0	0	114.1	C963 K964 R1014	C963-D1016 CarbonylContact C-O 3.07Å; C963-D1016 WeakPolarHBondContact CA-O 3.36Å; K964-D1016 PolarHBondContact N-O 3.48Å; R1014-D1016 WeakPolarHBondContact CB-OD1 3.45Å; R1014-D1016 PolarHBondContact O-N 3.41Å; R1014-D1016 VanDerWaalsContact O-N 3.16Å
1017	R	83.2	Confident	76.3	Confident	87 Å²	87	65.8 Å²	65.8	33%	0.328	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.4	-172.9	-62.9	174.6	-169.7	-161.9	-4.8	110.9	K964 R1014 K1015	K964-R1017 WeakPolarHBondContact O-CA 3.42Å; R1014-R1017 PolarHBondContact O-N 3.41Å; R1014-R1017 VanDerWaalsContact O-N 3.15Å; K1015-R1017 VanDerWaalsContact C-N 3.27Å; K1015-R1017 PolarHBondContact O-N 2.63Å
1018	N	86.3	Confident	78.1	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	105.8	171.4	-171.8	-2.8	0	0	0	110	K964 Y965 Q999 C1020	K964-N1018 PolarHBondContact O-N 3.36Å; Y965-N1018 WeakPolarHBondContact CA-O 3.15Å; Y965-N1018 HydrophobicContact CD1-CB 3.69Å; Y965-N1018 HydrophobicContact CE1-CB 3.73Å; Q999-N1018 PolarHBondContact O-ND2 3.13Å; N1018-C1020 WeakPolarHBondContact OD1-CA 3.35Å; N1018-C1020 WeakPolarHBondContact OD1-CB 3.42Å; N1018-C1020 PolarHBondContact OD1-N 2.97Å
1019	N	82.9	Confident	80	Confident	57 Å²	57	68.9 Å²	68.9	31%	0.305	31%	0.307	S	S	.	.			trans	-101	10.3	174.2	-67	-10.9	0	0	0	111.9	S534 Q536 W1021	S534-N1019 WeakPolarHBondContact CB-O 3.48Å; S534-N1019 PolarHBondContact OG-O 3.12Å; S534-N1019 VanDerWaalsContact OG-O 3.06Å; Q536-N1019 PolarHBondContact OE1-O 2.82Å; N1019-W1021 PolarHBondContact O-N 3.34Å
1020	C	85.7	Confident	81.8	Confident	14 Å²	14	62.9 Å²	62.9	10%	0.095	29%	0.285	C	S	.	.			trans	-83.5	103.5	177.1	-168.9	0	0	0	0	109.3	S534 Q536 A537 L1002 N1018	S534-C1020 WeakPolarHBondContact OG-CA 3.47Å; Q536-C1020 HydrophobicContact CB-CB 4.46Å; A537-C1020 WeakPolarHBondContact CA-SG 3.04Å; A537-C1020 WeakPolarHBondContact CB-SG 3.46Å; L1002-C1020 HydrophobicContact CD1-CB 4.38Å; N1018-C1020 WeakPolarHBondContact OD1-CA 3.35Å; N1018-C1020 WeakPolarHBondContact OD1-CB 3.42Å; N1018-C1020 PolarHBondContact OD1-N 2.97Å
1021	W	92.1	Very high	83.5	Confident	22 Å²	22	53.9 Å²	53.9	8%	0.083	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	156.6	177.5	52	-97.1	0	0	0	112.8	E519 R532 S533 S534 A537 R966 Y996 I997 W998 N1019 A1023	E519-W1021 WeakPolarHBondContact OE1-CH2 3.34Å; R532-W1021 HydrophobicContact CB-CZ3 4.24Å; S533-W1021 WeakPolarHBondContact CA-O 3.33Å; S534-W1021 PolarHBondContact N-O 3.1Å; S534-W1021 PolarHBondContact OG-N 3.4Å; S534-W1021 VanDerWaalsContact OG-N 3.07Å; S534-W1021 PolarHBondContact OG-O 3.13Å; A537-W1021 WeakPolarHBondContact CB-O 3.39Å; R966-W1021 PolarHBondContact O-NE1 3.01Å; Y996-W1021 AromaticContact CD1-CD2 3.88Å; Y996-W1021 HydrophobicContact CD1-CD2 3.88Å; Y996-W1021 AromaticContact CD1-CE3 3.7Å; Y996-W1021 HydrophobicContact CD1-CE3 3.7Å; Y996-W1021 HydrophobicContact CD1-CG 4.25Å; Y996-W1021 HydrophobicContact CD1-CZ3 4.26Å; Y996-W1021 AromaticContact CE1-CD2 3.95Å; Y996-W1021 HydrophobicContact CE1-CD2 3.95Å; Y996-W1021 AromaticContact CE1-CE3 3.65Å; Y996-W1021 HydrophobicContact CE1-CE3 3.65Å; Y996-W1021 HydrophobicContact CE1-CH2 4.12Å; Y996-W1021 HydrophobicContact CE1-CZ2 4.38Å; Y996-W1021 AromaticContact CE1-CZ3 3.75Å; Y996-W1021 HydrophobicContact CE1-CZ3 3.75Å; I997-W1021 VanDerWaalsContact O-CA 3.24Å; I997-W1021 WeakPolarHBondContact O-CA 3.25Å; I997-W1021 WeakPolarHBondContact O-CB 3.4Å; W998-W1021 HydrophobicContact CD2-CB 4.39Å; W998-W1021 HydrophobicContact CG-CB 4.16Å; W998-W1021 AromaticContact NE1-CD1 3.82Å; W998-W1021 AromaticContact NE1-CG 3.95Å; N1019-W1021 PolarHBondContact O-N 3.34Å; W1021-A1023 HydrophobicContact CE3-CB 3.97Å; W1021-A1023 HydrophobicContact CZ3-CB 3.84Å
1022	E	93.6	Very high	85.3	Confident	14 Å²	14	52.1 Å²	52.1	7%	0.065	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.7	166.2	-64.8	179.4	-108.7	0	0	108.3	R532 R541 E542 F543 Y996 I997	R532-E1022 CarbonylContact O-C 3.54Å; R532-E1022 WeakPolarHBondContact O-CA 3.4Å; R541-E1022 WeakPolarHBondContact CA-OE1 3.49Å; R541-E1022 WeakPolarHBondContact CB-OE2 3.39Å; E542-E1022 PolarHBondContact N-OE1 3.12Å; E542-E1022 PolarHBondContact N-OE2 2.86Å; F543-E1022 WeakPolarHBondContact CB-OE2 3.15Å; F543-E1022 PolarHBondContact N-OE1 3.2Å; F543-E1022 PolarHBondContact N-OE2 3.4Å; Y996-E1022 CarbonylContact C-O 3.6Å; Y996-E1022 WeakPolarHBondContact CA-O 3.41Å; I997-E1022 PolarHBondContact N-O 3.3Å; I997-E1022 PolarHBondContact O-N 2.77Å
1023	A	94.6	Very high	87.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.1	179.7	0	0	0	0	0	109.9	L531 R532 F994 F995 Y996 W1021	L531-A1023 CarbonylContact C-O 3.4Å; L531-A1023 VanDerWaalsContact CA-O 3.32Å; L531-A1023 WeakPolarHBondContact CA-O 3.5Å; R532-A1023 HydrophobicContact CB-CB 4.35Å; R532-A1023 PolarHBondContact N-O 3.27Å; R532-A1023 PolarHBondContact O-N 2.87Å; F994-A1023 HydrophobicContact CB-CB 4.23Å; F994-A1023 HydrophobicContact CD1-CB 3.88Å; F994-A1023 HydrophobicContact CG-CB 4.37Å; F995-A1023 CarbonylContact O-C 3.46Å; F995-A1023 VanDerWaalsContact O-CA 3.3Å; F995-A1023 WeakPolarHBondContact O-CA 3.36Å; Y996-A1023 HydrophobicContact CD1-CB 3.69Å; Y996-A1023 HydrophobicContact CD2-CB 4.3Å; Y996-A1023 HydrophobicContact CE1-CB 3.58Å; Y996-A1023 HydrophobicContact CE2-CB 4.2Å; Y996-A1023 HydrophobicContact CG-CB 4.05Å; W1021-A1023 HydrophobicContact CE3-CB 3.97Å; W1021-A1023 HydrophobicContact CZ3-CB 3.84Å
1024	I	95.1	Very high	89	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.3	-178.2	-63.1	71.9	0	0	0	108.1	I529 L531 F543 I546 F994 F995 I997 A1026	I529-I1024 HydrophobicContact CG2-CG2 3.55Å; L531-I1024 HydrophobicContact CD1-CD1 4.36Å; L531-I1024 HydrophobicContact CD1-CG1 4.25Å; F543-I1024 HydrophobicContact CB-CD1 4.45Å; I546-I1024 HydrophobicContact CD1-CG1 4.29Å; I546-I1024 HydrophobicContact CG2-CG1 4.1Å; F994-I1024 VanDerWaalsContact CA-O 3.26Å; F994-I1024 WeakPolarHBondContact CA-O 3.44Å; F995-I1024 HydrophobicContact CD2-CB 4.26Å; F995-I1024 HydrophobicContact CD2-CD1 4.29Å; F995-I1024 HydrophobicContact CE1-CB 4.17Å; F995-I1024 HydrophobicContact CE1-CG2 4.24Å; F995-I1024 HydrophobicContact CE2-CB 3.63Å; F995-I1024 HydrophobicContact CE2-CD1 3.64Å; F995-I1024 HydrophobicContact CE2-CG1 3.83Å; F995-I1024 HydrophobicContact CE2-CG2 4.4Å; F995-I1024 HydrophobicContact CZ-CB 3.58Å; F995-I1024 HydrophobicContact CZ-CD1 4.35Å; F995-I1024 HydrophobicContact CZ-CG1 4.03Å; F995-I1024 HydrophobicContact CZ-CG2 3.84Å; F995-I1024 PolarHBondContact N-O 2.91Å; F995-I1024 PolarHBondContact O-N 3.25Å; I997-I1024 HydrophobicContact CD1-CD1 4.23Å; I1024-A1026 PolarHBondContact O-N 3.29Å
1025	K	94.1	Very high	90.5	Very high	53 Å²	53	30.4 Å²	30.4	23%	0.23	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	98.7	174.1	-165	-174.2	-174.5	-150.9	0	108.3	R530 F994 H1027 D1028	R530-K1025 HydrophobicContact CB-CB 3.88Å; R530-K1025 PolarHBondContact O-N 3.47Å; F994-K1025 HydrophobicContact CD1-CB 3.92Å; F994-K1025 HydrophobicContact CD2-CG 4.48Å; F994-K1025 HydrophobicContact CE1-CB 3.54Å; F994-K1025 HydrophobicContact CE1-CG 4.33Å; F994-K1025 HydrophobicContact CE2-CB 4.22Å; F994-K1025 HydrophobicContact CE2-CG 4.12Å; F994-K1025 HydrophobicContact CG-CB 4.4Å; F994-K1025 HydrophobicContact CZ-CB 3.69Å; F994-K1025 HydrophobicContact CZ-CD 4.41Å; F994-K1025 HydrophobicContact CZ-CG 4.03Å; K1025-H1027 WeakPolarHBondContact CE-O 3.48Å; K1025-D1028 IonicContact NZ-OD1 3.98Å; K1025-D1028 PolarHBondContact NZ-OD1 2.86Å
1026	A	90.4	Very high	91.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.			trans	-92.1	-29.4	-171.8	0	0	0	0	0	112.3	A993 F995 I1024 V1031 R1122 F1124	A993-A1026 PolarHBondContact O-N 2.93Å; F995-A1026 HydrophobicContact CD1-CB 3.32Å; F995-A1026 HydrophobicContact CE1-CB 3.41Å; F995-A1026 VanDerWaalsContact CE1-CB 3.41Å; F995-A1026 HydrophobicContact CG-CB 4.48Å; I1024-A1026 PolarHBondContact O-N 3.29Å; A1026-V1031 HydrophobicContact CB-CG2 4.16Å; A1026-R1122 WeakPolarHBondContact O-CD 3.49Å; A1026-R1122 PolarHBondContact O-NH1 2.8Å; A1026-F1124 HydrophobicContact CB-CE2 4.2Å; A1026-F1124 HydrophobicContact CB-CZ 3.92Å
1027	H	93.5	Very high	93	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	11%	0.114	C	C	.	.			trans	-139.2	173.3	-177.5	-64.5	-95.8	0	0	0	109.9	A993 K1025 T1029 V1031 S1114 D1116 C1120	A993-H1027 WeakPolarHBondContact CB-O 3.36Å; A993-H1027 PolarHBondContact O-N 2.87Å; K1025-H1027 WeakPolarHBondContact CE-O 3.48Å; H1027-T1029 WeakPolarHBondContact CB-O 3.19Å; H1027-V1031 HydrophobicContact CB-CG2 4.45Å; H1027-S1114 PolarHBondContact CD2-OG 3.15Å; H1027-S1114 PolarHBondContact NE2-OG 3.35Å; H1027-D1116 HydrophobicContact CB-CB 3.94Å; H1027-D1116 IonicContact CE1-OD2 3.89Å; H1027-D1116 IonicContact CG-OD2 2.72Å; H1027-D1116 WeakPolarHBondContact ND1-CB 3.42Å; H1027-D1116 VanDerWaalsContact ND1-CG 3.33Å; H1027-D1116 IonicContact ND1-OD2 2.73Å; H1027-D1116 PolarHBondContact ND1-OD2 3.21Å; H1027-C1120 PolarHBondContact CE1-O 2.73Å
1028	D	91.1	Very high	93.5	Very high	125 Å²	125	21 Å²	21	67%	0.668	11%	0.113	S	C	*	.	S	Bend	trans	-95	-1.5	171.5	-66.3	-49.5	0	0	0	112.6	K1025	K1025-D1028 IonicContact NZ-OD1 3.98Å; K1025-D1028 PolarHBondContact NZ-OD1 2.86Å
1029	T	93	Very high	93.8	Very high	39 Å²	39	23.1 Å²	23.1	24%	0.239	12%	0.124	C	C	.	.	S	Bend	trans	-131	176	174.4	60.4	0	0	0	0	109.8	A993 H1027 V1031 C1117 N1118	A993-T1029 WeakPolarHBondContact CA-O 3.36Å; A993-T1029 WeakPolarHBondContact CB-O 3.36Å; H1027-T1029 WeakPolarHBondContact CB-O 3.19Å; T1029-V1031 PolarHBondContact O-N 2.79Å; T1029-C1117 WeakPolarHBondContact CB-SG 3.5Å; T1029-C1117 PolarHBondContact OG1-SG 3.1Å; T1029-N1118 WeakPolarHBondContact CG2-ND2 3.3Å
1030	M	94.5	Very high	94.2	Very high	16 Å²	16	21.1 Å²	21.1	8%	0.079	12%	0.115	C	C	.	.			trans	-48.3	133.2	178.8	168.4	175.7	62.9	0	0	112.3	W561 S973 I975 E991 T1032 D1116 C1117	W561-M1030 HydrophobicContact CZ3-CE 4.31Å; S973-M1030 PolarHBondContact OG-SD 2.9Å; I975-M1030 HydrophobicContact CD1-SD 4.23Å; E991-M1030 HydrophobicContact CB-SD 4.49Å; E991-M1030 HydrophobicContact CG-SD 3.8Å; M1030-T1032 HydrophobicContact CE-CG2 3.89Å; M1030-T1032 PolarHBondContact O-N 3.37Å; M1030-D1116 WeakPolarHBondContact O-CA 3.25Å; M1030-D1116 WeakPolarHBondContact O-CB 3.42Å; M1030-C1117 HydrophobicContact CE-CB 4.45Å; M1030-C1117 PolarHBondContact O-N 3.41Å
1031	V	97	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.1	169.8	-172	0	0	0	0	108.2	I975 G989 S990 A993 F994 F995 A1026 H1027 T1029 A1034 A1115	I975-V1031 WeakPolarHBondContact CD1-O 3.36Å; G989-V1031 WeakPolarHBondContact CA-O 3.47Å; S990-V1031 PolarHBondContact N-O 3.14Å; S990-V1031 PolarHBondContact O-N 2.85Å; A993-V1031 WeakPolarHBondContact O-CG2 3.13Å; F994-V1031 WeakPolarHBondContact O-CG2 3.25Å; F995-V1031 HydrophobicContact CB-CG1 4.4Å; A1026-V1031 HydrophobicContact CB-CG2 4.16Å; H1027-V1031 HydrophobicContact CB-CG2 4.45Å; T1029-V1031 PolarHBondContact O-N 2.79Å; V1031-A1034 HydrophobicContact CG1-CB 4.18Å; V1031-A1115 CarbonylContact C-O 3.56Å; V1031-A1115 WeakPolarHBondContact CA-O 3.34Å
1032	T	96.9	Very high	94.2	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.037	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-40.1	-176.5	51	0	0	0	0	111.7	I560 W561 I975 M1030 A1115 C1117	I560-T1032 WeakPolarHBondContact O-CB 3.22Å; I560-T1032 PolarHBondContact O-OG1 2.81Å; W561-T1032 HydrophobicContact CE3-CG2 4.09Å; W561-T1032 HydrophobicContact CZ3-CG2 3.78Å; I975-T1032 WeakPolarHBondContact CD1-O 3.07Å; M1030-T1032 HydrophobicContact CE-CG2 3.89Å; M1030-T1032 PolarHBondContact O-N 3.37Å; T1032-A1115 PolarHBondContact N-O 3.27Å; T1032-A1115 PolarHBondContact OG1-O 2.82Å; T1032-C1117 HydrophobicContact CG2-CB 4.28Å
1033	V	97.8	Very high	93.9	Very high	13 Å²	13	22.3 Å²	22.3	8%	0.079	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.3	-178.7	-169.8	0	0	0	0	109.8	W561 M563 V1035 S1114 A1115	W561-V1033 WeakPolarHBondContact O-CG2 3.34Å; M563-V1033 HydrophobicContact CB-CB 4.3Å; M563-V1033 HydrophobicContact CB-CG1 3.92Å; M563-V1033 HydrophobicContact CE-CB 3.93Å; M563-V1033 HydrophobicContact CE-CG1 3.75Å; V1033-V1035 HydrophobicContact CG1-CG1 4.11Å; V1033-S1114 CarbonylContact O-C 3.55Å; V1033-S1114 VanDerWaalsContact O-CA 3.3Å; V1033-S1114 WeakPolarHBondContact O-CA 3.05Å; V1033-A1115 PolarHBondContact O-N 3.2Å
1034	A	98.4	Very high	93.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.5	171.5	0	0	0	0	0	109.5	I987 F995 V1031 V1113	I987-A1034 HydrophobicContact CD1-CB 3.88Å; I987-A1034 HydrophobicContact CG1-CB 3.97Å; F995-A1034 HydrophobicContact CB-CB 3.75Å; F995-A1034 HydrophobicContact CD1-CB 4.42Å; F995-A1034 HydrophobicContact CG-CB 4.22Å; V1031-A1034 HydrophobicContact CG1-CB 4.18Å; A1034-V1113 WeakPolarHBondContact CA-O 3.27Å
1035	V	98.1	Very high	92.8	Very high	17 Å²	17	26.1 Å²	26.1	10%	0.103	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.5	-175.2	-61.6	0	0	0	0	111.4	M563 F565 V1033 V1112 V1113	M563-V1035 HydrophobicContact CE-CG2 3.91Å; M563-V1035 HydrophobicContact CG-CG2 4.43Å; M563-V1035 HydrophobicContact SD-CG2 4.44Å; F565-V1035 HydrophobicContact CD2-CG2 3.93Å; F565-V1035 HydrophobicContact CE2-CG2 3.95Å; V1033-V1035 HydrophobicContact CG1-CG1 4.11Å; V1035-V1112 WeakPolarHBondContact O-CA 3.38Å; V1035-V1113 HydrophobicContact CG2-CB 4.48Å; V1035-V1113 PolarHBondContact N-O 3.18Å; V1035-V1113 PolarHBondContact O-N 2.99Å
1036	F	97.8	Very high	91	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	149.3	167.7	-72.4	-80.7	0	0	0	111.2	F543 P981 Y985 I987 I997 E1110 V1111 V1112	F543-F1036 HydrophobicContact CE1-CE1 4.21Å; F543-F1036 HydrophobicContact CZ-CE1 4.22Å; F543-F1036 HydrophobicContact CZ-CZ 4.2Å; P981-F1036 HydrophobicContact CG-CB 4.38Å; Y985-F1036 HydrophobicContact CD2-CZ 4.45Å; Y985-F1036 HydrophobicContact CG-CZ 4.5Å; I987-F1036 HydrophobicContact CB-CD2 4.05Å; I987-F1036 HydrophobicContact CB-CE2 3.58Å; I987-F1036 HydrophobicContact CB-CZ 4.36Å; I987-F1036 HydrophobicContact CD1-CE2 4.3Å; I987-F1036 HydrophobicContact CD1-CZ 4.48Å; I987-F1036 HydrophobicContact CG2-CD2 3.55Å; I987-F1036 HydrophobicContact CG2-CE2 3.63Å; I997-F1036 HydrophobicContact CD1-CZ 4.19Å; I997-F1036 HydrophobicContact CG2-CZ 4.17Å; F1036-E1110 HydrophobicContact CD1-CB 4.19Å; F1036-E1110 HydrophobicContact CE1-CB 4.06Å; F1036-E1110 HydrophobicContact CE1-CG 4.2Å; F1036-V1111 CarbonylContact C-O 3.56Å; F1036-V1111 WeakPolarHBondContact CA-O 3.48Å; F1036-V1112 HydrophobicContact CD1-CG2 3.57Å; F1036-V1112 HydrophobicContact CE1-CG2 3.44Å; F1036-V1112 VanDerWaalsContact CE1-CG2 3.44Å; F1036-V1112 HydrophobicContact CG-CG2 4.42Å; F1036-V1112 HydrophobicContact CZ-CG2 4.23Å
1037	S	96.7	Very high	88.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.			trans	-72.2	128.1	169.4	-175.6	0	0	0	0	110.2	P981 N1039 P1040 V1111	P981-S1037 WeakPolarHBondContact CG-O 3.45Å; S1037-N1039 PolarHBondContact O-N 2.9Å; S1037-N1039 VanDerWaalsContact O-N 3.17Å; S1037-P1040 WeakPolarHBondContact O-CD 3.45Å; S1037-V1111 PolarHBondContact N-O 2.91Å
1038	P	94.3	Very high	86.1	Confident	49 Å²	49	40.6 Å²	40.6	32%	0.318	22%	0.221	S	C	.	.	S	Bend	trans	-55.1	-30.9	177.5	-29.5	36.7	0	0	0	115.1	F565 P981	F565-P1038 VanDerWaalsContact CB-CD 3.46Å; F565-P1038 HydrophobicContact CB-CG 3.65Å; F565-P1038 VanDerWaalsContact CG-CD 3.47Å; F565-P1038 HydrophobicContact CG-CG 4.24Å; P981-P1038 VanDerWaalsContact CG-CA 3.44Å
1039	N	91.6	Very high	83.5	Confident	49 Å²	49	40 Å²	40	26%	0.262	23%	0.227	S	C	.	.			trans	-136.2	80.1	-179.2	-169.5	-15.2	0	0	0	110	S1037 N1041 L1042	S1037-N1039 PolarHBondContact O-N 2.9Å; S1037-N1039 VanDerWaalsContact O-N 3.17Å; N1039-N1041 PolarHBondContact O-N 3.38Å; N1039-L1042 HydrophobicContact CB-CD1 3.85Å; N1039-L1042 HydrophobicContact CB-CG 4.08Å; N1039-L1042 WeakPolarHBondContact O-CB 3.29Å; N1039-L1042 PolarHBondContact O-N 3.37Å
1040	P	90.9	Very high	80.4	Confident	16 Å²	16	43.1 Å²	43.1	10%	0.104	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.4	-175.3	27.4	-34.4	0	0	0	112.2	S1037 L1042 I1043 L1044 G1109 V1111	S1037-P1040 WeakPolarHBondContact O-CD 3.45Å; P1040-L1042 PolarHBondContact O-N 2.98Å; P1040-I1043 WeakPolarHBondContact O-CB 3.48Å; P1040-I1043 PolarHBondContact O-N 3.07Å; P1040-L1044 HydrophobicContact CB-CD1 4.01Å; P1040-L1044 WeakPolarHBondContact O-CG 3.42Å; P1040-L1044 PolarHBondContact O-N 3.29Å; P1040-G1109 WeakPolarHBondContact CG-O 3.4Å; P1040-V1111 HydrophobicContact CB-CB 4.26Å; P1040-V1111 HydrophobicContact CB-CG2 3.92Å
1041	N	90.2	Very high	77.1	Confident	25 Å²	25	50.4 Å²	50.4	13%	0.134	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-30	179.3	-71.8	-12.1	0	0	0	112.8	N1039 I1043 L1044 N1045 V1106 L1108	N1039-N1041 PolarHBondContact O-N 3.38Å; N1041-I1043 PolarHBondContact O-N 3.45Å; N1041-I1043 VanDerWaalsContact O-N 3.12Å; N1041-L1044 PolarHBondContact O-N 3.2Å; N1041-N1045 VanDerWaalsContact O-CB 3.26Å; N1041-N1045 WeakPolarHBondContact O-CB 3.41Å; N1041-N1045 PolarHBondContact O-N 3.39Å; N1041-N1045 PolarHBondContact O-ND2 3.48Å; N1041-V1106 PolarHBondContact ND2-O 3.37Å; N1041-L1108 HydrophobicContact CB-CD1 4.15Å; N1041-L1108 VanDerWaalsContact OD1-CB 3.32Å; N1041-L1108 WeakPolarHBondContact OD1-CB 3.45Å; N1041-L1108 WeakPolarHBondContact OD1-CD1 3.44Å; N1041-L1108 VanDerWaalsContact OD1-CG 3.31Å; N1041-L1108 WeakPolarHBondContact OD1-CG 3.39Å; N1041-L1108 PolarHBondContact OD1-N 2.85Å
1042	L	88.2	Confident	73.7	Confident	33 Å²	33	59.2 Å²	59.2	17%	0.173	32%	0.315	C	S	.	.	H	α-helix	trans	-58.8	-23.9	172.6	-66.6	176.6	0	0	0	112.8	C568 R570 L586 Q588 N1039 P1040	C568-L1042 WeakPolarHBondContact O-CD1 3.47Å; R570-L1042 HydrophobicContact CG-CD1 3.8Å; L586-L1042 HydrophobicContact CD1-CB 3.88Å; L586-L1042 HydrophobicContact CD1-CD1 4.2Å; Q588-L1042 PolarHBondContact NE2-O 3.07Å; Q588-L1042 PolarHBondContact OE1-O 3.21Å; N1039-L1042 HydrophobicContact CB-CD1 3.85Å; N1039-L1042 HydrophobicContact CB-CG 4.08Å; N1039-L1042 WeakPolarHBondContact O-CB 3.29Å; N1039-L1042 PolarHBondContact O-N 3.37Å; P1040-L1042 PolarHBondContact O-N 2.98Å
1043	I	87.8	Confident	70.4	Confident	17 Å²	17	64.4 Å²	64.4	9%	0.087	35%	0.349	C	S	.	.	H	α-helix	trans	-108.6	-27	-173.7	-60.3	167.5	0	0	0	111.6	L586 V732 P1040 N1041 V1111 K1125	L586-I1043 HydrophobicContact CD1-CD1 4.48Å; L586-I1043 HydrophobicContact CD1-CG1 3.98Å; L586-I1043 HydrophobicContact CD2-CD1 3.83Å; L586-I1043 HydrophobicContact CD2-CG1 3.76Å; V732-I1043 HydrophobicContact CB-CG2 4.28Å; V732-I1043 HydrophobicContact CG1-CB 4.38Å; V732-I1043 HydrophobicContact CG1-CD1 3.79Å; V732-I1043 HydrophobicContact CG1-CG1 3.84Å; V732-I1043 HydrophobicContact CG1-CG2 3.65Å; V732-I1043 HydrophobicContact CG2-CG2 3.62Å; P1040-I1043 WeakPolarHBondContact O-CB 3.48Å; P1040-I1043 PolarHBondContact O-N 3.07Å; N1041-I1043 PolarHBondContact O-N 3.45Å; N1041-I1043 VanDerWaalsContact O-N 3.12Å; I1043-V1111 HydrophobicContact CB-CG2 4.01Å; I1043-V1111 HydrophobicContact CD1-CB 4.25Å; I1043-V1111 HydrophobicContact CD1-CG1 3.86Å; I1043-V1111 HydrophobicContact CD1-CG2 4.2Å; I1043-V1111 HydrophobicContact CG2-CG1 4.46Å; I1043-V1111 HydrophobicContact CG2-CG2 3.91Å; I1043-K1125 HydrophobicContact CG2-CD 4.15Å; I1043-K1125 PolarHBondContact O-NZ 2.94Å
1044	L	86.6	Confident	67	Low	8 Å²	8	69.5 Å²	69.5	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-91.4	-25	-177.2	-64.5	172.9	0	0	0	113.3	P1040 N1041 K1046 L1108 G1109 V1111 K1125 F1127	P1040-L1044 HydrophobicContact CB-CD1 4.01Å; P1040-L1044 WeakPolarHBondContact O-CG 3.42Å; P1040-L1044 PolarHBondContact O-N 3.29Å; N1041-L1044 PolarHBondContact O-N 3.2Å; L1044-K1046 PolarHBondContact O-N 3.01Å; L1044-L1108 HydrophobicContact CB-CB 3.84Å; L1044-L1108 HydrophobicContact CB-CD1 4.12Å; L1044-L1108 HydrophobicContact CD1-CB 3.93Å; L1044-G1109 VanDerWaalsContact CD1-C 3.44Å; L1044-V1111 HydrophobicContact CD1-CG2 4.39Å; L1044-V1111 HydrophobicContact CD2-CG2 4.16Å; L1044-V1111 HydrophobicContact CG-CG2 4.04Å; L1044-K1125 HydrophobicContact CD2-CB 4.09Å; L1044-K1125 HydrophobicContact CD2-CD 3.93Å; L1044-K1125 HydrophobicContact CD2-CG 4.23Å; L1044-F1127 HydrophobicContact CB-CE1 4.27Å; L1044-F1127 HydrophobicContact CD2-CD1 3.92Å; L1044-F1127 HydrophobicContact CD2-CE1 3.57Å; L1044-F1127 HydrophobicContact CD2-CE2 4.5Å; L1044-F1127 HydrophobicContact CD2-CZ 3.89Å; L1044-F1127 HydrophobicContact CG-CE1 4.49Å
1045	N	79.5	Confident	63.6	Low	71 Å²	71	76.4 Å²	76.4	38%	0.38	41%	0.412	S	S	.	.			trans	-60.8	109.9	177.6	-91.8	-35.4	0	0	0	111.6	N1041 L1047 L1108	N1041-N1045 VanDerWaalsContact O-CB 3.26Å; N1041-N1045 WeakPolarHBondContact O-CB 3.41Å; N1041-N1045 PolarHBondContact O-N 3.39Å; N1041-N1045 PolarHBondContact O-ND2 3.48Å; N1045-L1047 PolarHBondContact O-N 3.39Å; N1045-L1108 HydrophobicContact CB-CD1 4.38Å; N1045-L1108 WeakPolarHBondContact OD1-CD1 3.27Å
1046	K	57.6	Low	60.1	Low	160 Å²	160	79.8 Å²	79.8	70%	0.696	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.8	171.8	-71	-177.1	-179.9	175.3	0	112.9	L1044 C1048 S1049	L1044-K1046 PolarHBondContact O-N 3.01Å; K1046-C1048 VanDerWaalsContact C-N 3.31Å; K1046-C1048 PolarHBondContact O-N 3.19Å; K1046-S1049 PolarHBondContact O-N 3.16Å
1047	L	43.5	Very low	56.6	Low	96 Å²	96	88.3 Å²	88.3	50%	0.503	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-30.7	-172.1	-83.7	147	0	0	0	113.9	N1045 S1049 R1051	N1045-L1047 PolarHBondContact O-N 3.39Å; L1047-S1049 VanDerWaalsContact C-N 3.29Å; L1047-S1049 PolarHBondContact O-N 3.42Å; L1047-R1051 HydrophobicContact CD2-CG 4.05Å; L1047-R1051 PolarHBondContact O-N 3.33Å
1048	C	36.5	Very low	53.1	Low	104 Å²	104	93.3 Å²	93.3	70%	0.703	50%	0.504	S	S	*	.	H	α-helix	trans	-74.9	-10.9	175.6	-90	0	0	0	0	114.5	K1046	K1046-C1048 VanDerWaalsContact C-N 3.31Å; K1046-C1048 PolarHBondContact O-N 3.19Å
1049	S	36.2	Very low	49.7	Very low	112 Å²	112	98.3 Å²	98.3	78%	0.783	53%	0.526	S	S	*	.	H	α-helix	trans	-107.2	-8.6	-178.7	-57.2	0	0	0	0	114.5	K1046 L1047	K1046-S1049 PolarHBondContact O-N 3.16Å; L1047-S1049 VanDerWaalsContact C-N 3.29Å; L1047-S1049 PolarHBondContact O-N 3.42Å
1050	S	27.8	Very low	46.4	Very low	104 Å²	104	99.6 Å²	99.6	73%	0.727	54%	0.54	S	S	*	.	H	α-helix	trans	-144.3	6.8	-173.3	-165.5	0	0	0	0	116.4	K1052	S1050-K1052 PolarHBondContact O-N 3.24Å; S1050-K1052 VanDerWaalsContact O-N 3.11Å
1051	R	26	Very low	43.2	Very low	169 Å²	169	105.4 Å²	105.4	64%	0.638	57%	0.57	S	S	*	*			trans	-76.9	98.8	160.3	-77.8	-167.4	-178.5	-166.3	7	108	L1047	L1047-R1051 HydrophobicContact CD2-CG 4.05Å; L1047-R1051 PolarHBondContact O-N 3.33Å
1052	K	25.6	Very low	40	Very low	186 Å²	186	115.3 Å²	115.3	81%	0.809	61%	0.607	S	S	*	*			trans	-45.4	131.9	138.2	-68.4	-176.1	178.2	-177.6	0	105.1	S1050 L1054	S1050-K1052 PolarHBondContact O-N 3.24Å; S1050-K1052 VanDerWaalsContact O-N 3.11Å; K1052-L1054 PolarHBondContact O-N 3.41Å
1053	P	28.2	Very low	37	Very low	114 Å²	114	118.1 Å²	118.1	74%	0.74	63%	0.629	S	S	*	*			trans	-48	122.5	174.3	20.9	-30.2	0	0	0	105.7	N1055	P1053-N1055 PolarHBondContact O-N 3.49Å
1054	L	26.4	Very low	33.9	Very low	120 Å²	120	124.4 Å²	124.4	63%	0.628	66%	0.663	S	S	*	*			trans	-51.3	117.2	168.9	-89.8	93.5	0	0	0	103.5	K1052 S1056	K1052-L1054 PolarHBondContact O-N 3.41Å; L1054-S1056 PolarHBondContact O-N 3.01Å
1055	N	26.6	Very low	30.9	Very low	146 Å²	146	133 Å²	133	78%	0.781	71%	0.708	S	S	*	*			trans	-40.5	121.4	174	-83.2	-14.8	0	0	0	106.6	P1053 F1057	P1053-N1055 PolarHBondContact O-N 3.49Å; N1055-F1057 PolarHBondContact O-N 3.15Å
1056	S	24.5	Very low	28.2	Very low	87 Å²	87	134.1 Å²	134.1	61%	0.608	72%	0.721	S	S	*	*			trans	-7.6	100.9	158.5	55.5	0	0	0	0	111.5	L1054 T1058	L1054-S1056 PolarHBondContact O-N 3.01Å; S1056-T1058 PolarHBondContact O-N 3.45Å
1057	F	24.5	Very low	26.4	Very low	189 Å²	189	133.5 Å²	133.5	83%	0.829	73%	0.726	S	S	*	*				-60.2	97.4	130	-84.3	-85	0	0	0	103.4	N1055 I1059	N1055-F1057 PolarHBondContact O-N 3.15Å; F1057-I1059 PolarHBondContact O-N 3.43Å
1058	T	22.2	Very low	25.5	Very low	105 Å²	105	135.6 Å²	135.6	64%	0.644	74%	0.737	S	S	*	*			trans	-54.2	87	166.2	36.5	0	0	0	0	106.4	S1056 S1060	S1056-T1058 PolarHBondContact O-N 3.45Å; T1058-S1060 PolarHBondContact O-N 2.94Å
1059	I	23.9	Very low	24.7	Very low	153 Å²	153	137.3 Å²	137.3	79%	0.785	74%	0.739	S	S	*	*			trans	-90.2	60.5	152.2	-50	179	0	0	0	104.6	F1057	F1057-I1059 PolarHBondContact O-N 3.43Å
1060	S	22	Very low	24.1	Very low	77 Å²	77	140 Å²	140	54%	0.538	74%	0.744	S	S	.	*			trans	-103.9	104	160.6	49.9	0	0	0	0	104.7	T1058	T1058-S1060 PolarHBondContact O-N 2.94Å
1061	N	22.7	Very low	23.8	Very low	138 Å²	138	139.7 Å²	139.7	74%	0.738	75%	0.748	S	S	*	*			trans	147.8	73.2	148.3	-70.5	-2.4	0	0	0	110
1062	Y	24.2	Very low	23.6	Very low	233 Å²	233	135.7 Å²	135.7	91%	0.914	76%	0.759	S	S	*	*	S	Bend	trans	-117.2	60.8	150.5	-96.8	-78.5	0	0	0	107.9
1063	S	23.7	Very low	23.4	Very low	91 Å²	91	130.3 Å²	130.3	64%	0.636	76%	0.756	S	S	*	*	S	Bend	trans	-171.2	77.7	164.9	52.5	0	0	0	0	106.7
1064	D	23.7	Very low	23	Very low	150 Å²	150	135.7 Å²	135.7	80%	0.802	76%	0.764	S	S	*	*			trans	-174.6	72.7	149.2	-87.7	-19.7	0	0	0	107.4	S1066	D1064-S1066 PolarHBondContact O-N 3.44Å
1065	L	23.7	Very low	22.7	Very low	189 Å²	189	134.7 Å²	134.7	99%	0.99	77%	0.766	S	S	*	*			trans	-73.8	70.4	153.4	-84.4	148.9	0	0	0	106.8
1066	S	22.6	Very low	22.4	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	77%	0.766	S	S	*	*			trans	-89.9	115.1	167	61.2	0	0	0	0	108.8	D1064 N1068	D1064-S1066 PolarHBondContact O-N 3.44Å; S1066-N1068 PolarHBondContact O-N 3.26Å
1067	N	20.7	Very low	22.4	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	78%	0.777	S	S	*	*			trans	-39.6	123.1	157.2	-71.6	-37.6	0	0	0	111.2
1068	N	23.2	Very low	22.2	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	77%	0.773	S	S	*	*				171.9	117.5	114.9	-87.1	-27.1	0	0	0	111.5	S1066	S1066-N1068 PolarHBondContact O-N 3.26Å
1069	N	21.4	Very low	22.3	Very low	140 Å²	140	134.6 Å²	134.6	75%	0.749	78%	0.781	S	S	*	*				30.2	116.2	127.3	-65.4	-30.6	0	0	0	118.8
1070	L	23.6	Very low	22.3	Very low	169 Å²	169	132.1 Å²	132.1	89%	0.885	78%	0.778	S	S	*	*				169.8	97.5	128	-91.1	143.5	0	0	0	106.1
1071	A	21.1	Very low	22.4	Very low	97 Å²	97	131.8 Å²	131.8	80%	0.802	79%	0.786	S	S	*	*				53.3	110.2	89.3	0	0	0	0	0	113.2
1072	G	21.3	Very low	22.6	Very low	85 Å²	85	133.3 Å²	133.3	88%	0.876	79%	0.793	S	S	*	*			trans	139.2	115.6	154.7	0	0	0	0	0	115.5
1073	G	20.9	Very low	22.6	Very low	73 Å²	73	127.8 Å²	127.8	75%	0.753	79%	0.785	S	S	*	*			trans	108.7	76.2	133.6	0	0	0	0	0	117.5
1074	Y	19.8	Very low	22.6	Very low	228 Å²	228	134.8 Å²	134.8	89%	0.894	80%	0.798	S	S	*	*			trans	3.1	148.4	134.3	-70.4	-88.2	0	0	0	121.4
1075	S	20.6	Very low	22.8	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	80%	0.8	S	S	*	*			trans	90.1	117.7	135.9	49.5	0	0	0	0	120.2
1076	N	20.7	Very low	22.8	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	79%	0.793	S	S	*	*				49.6	126.1	125.6	-61.5	-2.8	0	0	0	116.8
1077	D	23.6	Very low	22.8	Very low	157 Å²	157	139.9 Å²	139.9	84%	0.84	80%	0.802	S	S	*	*				-175.3	157.8	64.9	-103.2	-37.3	0	0	0	110.2
1078	G	21.3	Very low	23	Very low	73 Å²	73	140.2 Å²	140.2	75%	0.753	80%	0.803	S	S	*	*			trans	-79.1	170.5	-176.4	0	0	0	0	0	115.6
1079	N	23.6	Very low	23	Very low	153 Å²	153	139.9 Å²	139.9	82%	0.818	80%	0.801	S	S	*	*				-170.7	135.8	117.8	-145.5	0.1	0	0	0	112.3
1080	S	23.6	Very low	23.2	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	81%	0.807	S	S	*	*			trans	41.4	123.7	142.1	65.3	0	0	0	0	122.4
1081	G	24.4	Very low	23	Very low	70 Å²	70	139 Å²	139	72%	0.722	80%	0.797	S	S	*	*			trans	151.5	96.4	138.1	0	0	0	0	0	119.3
1082	I	26.2	Very low	23.2	Very low	170 Å²	170	143.8 Å²	143.8	87%	0.872	80%	0.803	S	S	*	*			trans	90.2	132.4	143.3	-53	174.9	0	0	0	118.1
1083	P	24.4	Very low	23.4	Very low	117 Å²	117	144.4 Å²	144.4	76%	0.76	79%	0.793	S	S	*	*			trans	-91.5	129.5	-154.2	34.3	-29.5	0	0	0	113.9
1084	R	24.4	Very low	23.6	Very low	237 Å²	237	146.8 Å²	146.8	89%	0.894	80%	0.799	S	S	*	*			trans	-83.2	113.6	167	-77.7	-178.6	172.9	157.3	-0.9	109.8	K1086	R1084-K1086 PolarHBondContact O-N 3.07Å
1085	H	26.9	Very low	23.9	Very low	183 Å²	183	140.7 Å²	140.7	85%	0.847	79%	0.785	S	S	*	*			trans	-50.8	121.2	161.8	-105.2	-100.7	0	0	0	109.9	L1087	H1085-L1087 PolarHBondContact O-N 3.2Å
1086	K	24.2	Very low	24	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.857	78%	0.784	S	S	*	*			trans	-4.4	85.1	161.3	-82.2	173.9	167.2	175.4	0	114.7	R1084 L1088	R1084-K1086 PolarHBondContact O-N 3.07Å; K1086-L1088 PolarHBondContact O-N 3.09Å
1087	L	23.9	Very low	24.3	Very low	161 Å²	161	141.6 Å²	141.6	84%	0.843	79%	0.791	S	S	*	*			trans	-75.4	112.5	146.5	-101.5	128.9	0	0	0	105.7	H1085 N1089	H1085-L1087 PolarHBondContact O-N 3.2Å; L1087-N1089 PolarHBondContact O-N 3.3Å
1088	L	24.5	Very low	24.4	Very low	154 Å²	154	139.1 Å²	139.1	81%	0.806	78%	0.782	S	S	*	*			trans	-53.7	108.8	174.8	-75.2	151.4	0	0	0	108.4	K1086 L1090	K1086-L1088 PolarHBondContact O-N 3.09Å; L1088-L1090 VanDerWaalsContact C-N 3.35Å; L1088-L1090 PolarHBondContact O-N 2.92Å
1089	N	22.2	Very low	24.7	Very low	132 Å²	132	141.8 Å²	141.8	71%	0.706	78%	0.779	S	S	*	*			trans	-75.1	87.7	179.8	-152.6	9.9	0	0	0	107.4	L1087 N1091	L1087-N1089 PolarHBondContact O-N 3.3Å; N1089-N1091 PolarHBondContact O-N 3.04Å; N1089-N1091 PolarHBondContact OD1-ND2 3.42Å
1090	L	25.3	Very low	25	Very low	165 Å²	165	142.6 Å²	142.6	86%	0.864	78%	0.783	S	S	*	*			trans	-77.4	69.7	164.2	-86.8	135.2	0	0	0	108	L1088	L1088-L1090 VanDerWaalsContact C-N 3.35Å; L1088-L1090 PolarHBondContact O-N 2.92Å
1091	N	20.5	Very low	25.1	Very low	125 Å²	125	145.5 Å²	145.5	67%	0.668	79%	0.79	S	S	*	*			trans	-102.1	125.4	162.2	-88.1	-14.9	0	0	0	107.9	N1089	N1089-N1091 PolarHBondContact O-N 3.04Å; N1089-N1091 PolarHBondContact OD1-ND2 3.42Å
1092	Q	25.5	Very low	25.2	Very low	198 Å²	198	153 Å²	153	93%	0.925	80%	0.797	S	S	*	*			trans	78.9	74.4	151.5	-142.3	167.9	31	0	0	116.8
1093	S	24.8	Very low	25.8	Very low	98 Å²	98	152.9 Å²	152.9	69%	0.685	79%	0.793	S	S	*	*			trans	-139.4	122.8	141.3	59.6	0	0	0	0	108.6	V1095	S1093-V1095 PolarHBondContact O-N 2.79Å
1094	S	24.5	Very low	26.8	Very low	123 Å²	123	152.8 Å²	152.8	86%	0.86	79%	0.79	S	S	*	*			trans	-43.1	101.1	172.9	48.3	0	0	0	0	112.3
1095	V	26.5	Very low	28.3	Very low	99 Å²	99	149.4 Å²	149.4	60%	0.6	78%	0.782	S	S	*	*			trans	-97.5	107.8	167	179.7	0	0	0	0	106.8	S1093 D1099	S1093-V1095 PolarHBondContact O-N 2.79Å; V1095-D1099 HydrophobicContact CG1-CB 4.12Å
1096	T	22.5	Very low	30.7	Very low	110 Å²	110	144.9 Å²	144.9	68%	0.675	77%	0.767	S	S	*	*			trans	-56.1	150.5	169.7	38.9	0	0	0	0	110.1	T1098	T1096-T1098 PolarHBondContact O-N 2.88Å
1097	T	27.4	Very low	33.4	Very low	150 Å²	150	138.5 Å²	138.5	92%	0.92	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	49.4	-167.2	49.4	0	0	0	0	115.6
1098	T	26.5	Very low	36.3	Very low	105 Å²	105	131.9 Å²	131.9	64%	0.644	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-8.5	176.2	45.7	0	0	0	0	114.8	T1096	T1096-T1098 PolarHBondContact O-N 2.88Å
1099	D	26.3	Very low	39.4	Very low	129 Å²	129	124.6 Å²	124.6	69%	0.69	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	12.6	-172.6	-79.3	-16.5	0	0	0	116.8	V1095	V1095-D1099 HydrophobicContact CG1-CB 4.12Å
1100	L	29.6	Very low	42.7	Very low	170 Å²	170	118.4 Å²	118.4	89%	0.89	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	1.5	174.4	-77.5	170.5	0	0	0	115.1
1101	N	27.1	Very low	46	Very low	163 Å²	163	110.5 Å²	110.5	87%	0.872	59%	0.591	S	S	*	*			trans	-105	16.2	-173.6	-88	-9.6	0	0	0	116.3
1102	R	26.9	Very low	49.7	Very low	226 Å²	226	104.7 Å²	104.7	85%	0.853	56%	0.56	S	S	*	*			trans	-111.5	64	170.9	-132.2	179.8	-174.2	-166.3	2.3	110.9	T1104	R1102-T1104 VanDerWaalsContact C-N 3.29Å; R1102-T1104 PolarHBondContact O-N 3.36Å
1103	E	38.7	Very low	53.2	Low	168 Å²	168	95.3 Å²	95.3	79%	0.785	52%	0.516	S	S	*	.			trans	-54.6	102.9	155.2	-80.4	-162.5	166.5	0	0	106.8	F1105	E1103-F1105 PolarHBondContact O-N 2.93Å
1104	T	44.4	Very low	56.7	Low	115 Å²	115	90.6 Å²	90.6	71%	0.706	48%	0.483	S	S	*	.			trans	-65.3	104.8	176.7	-60.4	0	0	0	0	106.2	R1102 V1106	R1102-T1104 VanDerWaalsContact C-N 3.29Å; R1102-T1104 PolarHBondContact O-N 3.36Å; T1104-V1106 WeakPolarHBondContact O-CG2 3.41Å; T1104-V1106 PolarHBondContact O-N 3.35Å
1105	F	56.7	Low	60.2	Low	167 Å²	167	84.8 Å²	84.8	73%	0.732	44%	0.442	S	S	*	.			trans	-59.8	98.9	178.1	-102.3	-93.5	0	0	0	109	E1103 Y1107	E1103-F1105 PolarHBondContact O-N 2.93Å; F1105-Y1107 PolarHBondContact O-N 3.3Å
1106	V	76.5	Confident	63.5	Low	87 Å²	87	80.4 Å²	80.4	53%	0.527	42%	0.416	S	S	.	.			trans	-72.2	123	176.6	-173.4	0	0	0	0	108.3	N1041 T1104 L1108	N1041-V1106 PolarHBondContact ND2-O 3.37Å; T1104-V1106 WeakPolarHBondContact O-CG2 3.41Å; T1104-V1106 PolarHBondContact O-N 3.35Å; V1106-L1108 HydrophobicContact CB-CD2 4.27Å; V1106-L1108 HydrophobicContact CG1-CD2 3.75Å; V1106-L1108 PolarHBondContact O-N 3.15Å
1107	Y	80.8	Confident	66.9	Low	64 Å²	64	75.8 Å²	75.8	25%	0.251	39%	0.387	S	S	.	.			trans	-77.3	102.6	174.4	177.5	-104.5	0	0	0	109.9	F1105 E1110	F1105-Y1107 PolarHBondContact O-N 3.3Å; Y1107-E1110 VanDerWaalsContact CE2-OE1 3.26Å; Y1107-E1110 WeakPolarHBondContact CE2-OE1 3.26Å; Y1107-E1110 WeakPolarHBondContact OH-CG 3.48Å; Y1107-E1110 PolarHBondContact OH-OE1 3.47Å
1108	L	84.5	Confident	70.1	Confident	22 Å²	22	73.5 Å²	73.5	12%	0.115	37%	0.37	C	S	.	.			trans	-86.5	-16.2	-176.9	-55.1	174.4	0	0	0	113.7	N1041 L1044 N1045 V1106 F1127 S1128 I1131	N1041-L1108 HydrophobicContact CB-CD1 4.15Å; N1041-L1108 VanDerWaalsContact OD1-CB 3.32Å; N1041-L1108 WeakPolarHBondContact OD1-CB 3.45Å; N1041-L1108 WeakPolarHBondContact OD1-CD1 3.44Å; N1041-L1108 VanDerWaalsContact OD1-CG 3.31Å; N1041-L1108 WeakPolarHBondContact OD1-CG 3.39Å; N1041-L1108 PolarHBondContact OD1-N 2.85Å; L1044-L1108 HydrophobicContact CB-CB 3.84Å; L1044-L1108 HydrophobicContact CB-CD1 4.12Å; L1044-L1108 HydrophobicContact CD1-CB 3.93Å; N1045-L1108 HydrophobicContact CB-CD1 4.38Å; N1045-L1108 WeakPolarHBondContact OD1-CD1 3.27Å; V1106-L1108 HydrophobicContact CB-CD2 4.27Å; V1106-L1108 HydrophobicContact CG1-CD2 3.75Å; V1106-L1108 PolarHBondContact O-N 3.15Å; L1108-F1127 WeakPolarHBondContact O-CA 3.45Å; L1108-S1128 PolarHBondContact O-N 2.9Å; L1108-I1131 HydrophobicContact CB-CD1 4.07Å; L1108-I1131 HydrophobicContact CD2-CD1 3.37Å; L1108-I1131 HydrophobicContact CG-CD1 4.29Å
1109	G	89.1	Confident	73.4	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.4	-158	-175.8	0	0	0	0	0	113	P1040 L1044 K1126	P1040-G1109 WeakPolarHBondContact CG-O 3.4Å; L1044-G1109 VanDerWaalsContact CD1-C 3.44Å; G1109-K1126 CarbonylContact C-O 3.53Å; G1109-K1126 VanDerWaalsContact CA-O 3.23Å; G1109-K1126 WeakPolarHBondContact CA-O 3.35Å
1110	E	93	Very high	76.7	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152	-175.2	-59	-62.1	161.6	0	0	111.8	F543 Y985 F1036 Y1107 K1126	F543-E1110 HydrophobicContact CE1-CB 4.47Å; Y985-E1110 HydrophobicContact CE2-CG 4.28Å; F1036-E1110 HydrophobicContact CD1-CB 4.19Å; F1036-E1110 HydrophobicContact CE1-CB 4.06Å; F1036-E1110 HydrophobicContact CE1-CG 4.2Å; Y1107-E1110 VanDerWaalsContact CE2-OE1 3.26Å; Y1107-E1110 WeakPolarHBondContact CE2-OE1 3.26Å; Y1107-E1110 WeakPolarHBondContact OH-CG 3.48Å; Y1107-E1110 PolarHBondContact OH-OE1 3.47Å; E1110-K1126 HydrophobicContact CB-CB 4.44Å; E1110-K1126 HydrophobicContact CB-CD 4.32Å; E1110-K1126 HydrophobicContact CG-CD 4.25Å; E1110-K1126 PolarHBondContact N-O 3.4Å; E1110-K1126 PolarHBondContact O-N 2.89Å
1111	V	95.2	Very high	80	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129	169.1	178.5	0	0	0	0	108.6	F1036 S1037 P1040 I1043 L1044 V1123 F1124 K1125	F1036-V1111 CarbonylContact C-O 3.56Å; F1036-V1111 WeakPolarHBondContact CA-O 3.48Å; S1037-V1111 PolarHBondContact N-O 2.91Å; P1040-V1111 HydrophobicContact CB-CB 4.26Å; P1040-V1111 HydrophobicContact CB-CG2 3.92Å; I1043-V1111 HydrophobicContact CB-CG2 4.01Å; I1043-V1111 HydrophobicContact CD1-CB 4.25Å; I1043-V1111 HydrophobicContact CD1-CG1 3.86Å; I1043-V1111 HydrophobicContact CD1-CG2 4.2Å; I1043-V1111 HydrophobicContact CG2-CG1 4.46Å; I1043-V1111 HydrophobicContact CG2-CG2 3.91Å; L1044-V1111 HydrophobicContact CD1-CG2 4.39Å; L1044-V1111 HydrophobicContact CD2-CG2 4.16Å; L1044-V1111 HydrophobicContact CG-CG2 4.04Å; V1111-V1123 HydrophobicContact CG1-CG1 3.97Å; V1111-F1124 WeakPolarHBondContact CA-O 3.49Å; V1111-F1124 WeakPolarHBondContact CG1-O 3.35Å; V1111-K1125 HydrophobicContact CG2-CG 4.26Å
1112	V	97.2	Very high	83.3	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.1	179.8	174.9	0	0	0	0	109	I987 F995 V1035 F1036 V1123 F1124	I987-V1112 HydrophobicContact CD1-CG1 3.5Å; I987-V1112 HydrophobicContact CD1-CG2 4.18Å; F995-V1112 HydrophobicContact CE1-CG1 4.18Å; F995-V1112 HydrophobicContact CE2-CG1 4.26Å; F995-V1112 HydrophobicContact CZ-CG1 3.98Å; V1035-V1112 WeakPolarHBondContact O-CA 3.38Å; F1036-V1112 HydrophobicContact CD1-CG2 3.57Å; F1036-V1112 HydrophobicContact CE1-CG2 3.44Å; F1036-V1112 VanDerWaalsContact CE1-CG2 3.44Å; F1036-V1112 HydrophobicContact CG-CG2 4.42Å; F1036-V1112 HydrophobicContact CZ-CG2 4.23Å; V1112-V1123 WeakPolarHBondContact O-CA 3.4Å; V1112-F1124 HydrophobicContact CB-CB 4.31Å; V1112-F1124 PolarHBondContact N-O 3.24Å; V1112-F1124 PolarHBondContact O-N 3.02Å
1113	V	98.1	Very high	86.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.7	169.8	-173.7	0	0	0	0	108.7	M563 F565 L572 F733 A1034 V1035 I1121 R1122 V1123	M563-V1113 HydrophobicContact CE-CG1 4.24Å; M563-V1113 WeakPolarHBondContact CE-O 3.47Å; M563-V1113 HydrophobicContact SD-CB 4.26Å; M563-V1113 HydrophobicContact SD-CG1 3.61Å; F565-V1113 HydrophobicContact CE2-CB 4.22Å; F565-V1113 HydrophobicContact CE2-CG2 3.74Å; F565-V1113 HydrophobicContact CZ-CB 4.45Å; F565-V1113 HydrophobicContact CZ-CG2 3.54Å; L572-V1113 HydrophobicContact CD2-CG1 3.95Å; F733-V1113 HydrophobicContact CE2-CG2 4.49Å; A1034-V1113 WeakPolarHBondContact CA-O 3.27Å; V1035-V1113 HydrophobicContact CG2-CB 4.48Å; V1035-V1113 PolarHBondContact N-O 3.18Å; V1035-V1113 PolarHBondContact O-N 2.99Å; V1113-I1121 HydrophobicContact CG1-CG2 3.51Å; V1113-R1122 WeakPolarHBondContact CA-O 3.43Å; V1113-V1123 HydrophobicContact CG1-CG2 4.43Å; V1113-V1123 HydrophobicContact CG2-CG1 4.26Å; V1113-V1123 HydrophobicContact CG2-CG2 4.21Å
1114	S	98.3	Very high	89.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.1	175.6	67.3	0	0	0	0	111.5	H1027 V1033 I1121 R1122 F1124	H1027-S1114 PolarHBondContact CD2-OG 3.15Å; H1027-S1114 PolarHBondContact NE2-OG 3.35Å; V1033-S1114 CarbonylContact O-C 3.55Å; V1033-S1114 VanDerWaalsContact O-CA 3.3Å; V1033-S1114 WeakPolarHBondContact O-CA 3.05Å; S1114-I1121 CarbonylContact O-C 3.59Å; S1114-I1121 WeakPolarHBondContact O-CA 3.35Å; S1114-R1122 PolarHBondContact N-O 2.92Å; S1114-R1122 PolarHBondContact O-N 3.01Å; S1114-F1124 WeakPolarHBondContact OG-CE2 3.34Å
1115	A	98.1	Very high	91.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.2	175.1	0	0	0	0	0	111.2	I560 M563 V1031 T1032 V1033 C1120 I1121	I560-A1115 HydrophobicContact CB-CB 3.89Å; I560-A1115 HydrophobicContact CD1-CB 3.97Å; I560-A1115 HydrophobicContact CG2-CB 3.87Å; M563-A1115 HydrophobicContact CE-CB 4.26Å; V1031-A1115 CarbonylContact C-O 3.56Å; V1031-A1115 WeakPolarHBondContact CA-O 3.34Å; T1032-A1115 PolarHBondContact N-O 3.27Å; T1032-A1115 PolarHBondContact OG1-O 2.82Å; V1033-A1115 PolarHBondContact O-N 3.2Å; A1115-C1120 VanDerWaalsContact CA-O 3.28Å; A1115-C1120 WeakPolarHBondContact CA-O 3.2Å; A1115-I1121 HydrophobicContact CB-CG1 4.39Å
1116	D	95.9	Very high	93.2	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.043	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	179.9	-179.3	67.5	19.3	0	0	0	114.4	I560 H1027 M1030 N1118 G1119 C1120	I560-D1116 PolarHBondContact N-O 3.15Å; H1027-D1116 HydrophobicContact CB-CB 3.94Å; H1027-D1116 IonicContact CE1-OD2 3.89Å; H1027-D1116 IonicContact CG-OD2 2.72Å; H1027-D1116 WeakPolarHBondContact ND1-CB 3.42Å; H1027-D1116 VanDerWaalsContact ND1-CG 3.33Å; H1027-D1116 IonicContact ND1-OD2 2.73Å; H1027-D1116 PolarHBondContact ND1-OD2 3.21Å; M1030-D1116 WeakPolarHBondContact O-CA 3.25Å; M1030-D1116 WeakPolarHBondContact O-CB 3.42Å; D1116-N1118 PolarHBondContact O-N 3.29Å; D1116-N1118 WeakPolarHBondContact OD1-CA 3.25Å; D1116-N1118 PolarHBondContact OD1-N 3.38Å; D1116-G1119 PolarHBondContact O-N 3.49Å; D1116-G1119 PolarHBondContact OD1-N 2.69Å; D1116-C1120 PolarHBondContact N-O 2.95Å; D1116-C1120 WeakPolarHBondContact OD1-CB 3.45Å; D1116-C1120 PolarHBondContact OD1-N 2.97Å; D1116-C1120 WeakPolarHBondContact OD2-CB 3.28Å
1117	C	94.3	Very high	93.6	Very high	12 Å²	12	17.8 Å²	17.8	8%	0.081	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.2	177.6	68	0	0	0	0	114.5	G558 A559 T1029 M1030 T1032	G558-C1117 CarbonylContact C-O 3.5Å; A559-C1117 WeakPolarHBondContact CA-O 3.31Å; A559-C1117 HydrophobicContact CB-CB 4.17Å; A559-C1117 WeakPolarHBondContact CB-O 3.42Å; A559-C1117 PolarHBondContact N-O 3.49Å; T1029-C1117 WeakPolarHBondContact CB-SG 3.5Å; T1029-C1117 PolarHBondContact OG1-SG 3.1Å; M1030-C1117 HydrophobicContact CE-CB 4.45Å; M1030-C1117 PolarHBondContact O-N 3.41Å; T1032-C1117 HydrophobicContact CG2-CB 4.28Å
1118	N	94.9	Very high	93.7	Very high	103 Å²	103	15 Å²	15	55%	0.551	7%	0.074	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.6	179.9	-66.1	-15	0	0	0	112.4	G558 T1029 D1116	G558-N1118 CarbonylContact O-C 3.56Å; T1029-N1118 WeakPolarHBondContact CG2-ND2 3.3Å; D1116-N1118 PolarHBondContact O-N 3.29Å; D1116-N1118 WeakPolarHBondContact OD1-CA 3.25Å; D1116-N1118 PolarHBondContact OD1-N 3.38Å
1119	G	95.5	Very high	93	Very high	3 Å²	3	18.1 Å²	18.1	3%	0.031	10%	0.095	C	C	.	.	S	Bend	trans	84.6	15.1	-179.9	0	0	0	0	0	113.8	G558 D1116	G558-G1119 WeakPolarHBondContact O-CA 3.3Å; G558-G1119 PolarHBondContact O-N 3.3Å; D1116-G1119 PolarHBondContact O-N 3.49Å; D1116-G1119 PolarHBondContact OD1-N 2.69Å
1120	C	96.6	Very high	91.6	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.034	13%	0.125	C	C	.	.			trans	-86	135.5	174.5	178	0	0	0	0	110.2	K553 H1027 A1115 D1116	K553-C1120 WeakPolarHBondContact CE-SG 3.37Å; K553-C1120 HydrophobicContact CG-CB 3.85Å; K553-C1120 WeakPolarHBondContact CG-SG 3.48Å; H1027-C1120 PolarHBondContact CE1-O 2.73Å; A1115-C1120 VanDerWaalsContact CA-O 3.28Å; A1115-C1120 WeakPolarHBondContact CA-O 3.2Å; D1116-C1120 PolarHBondContact N-O 2.95Å; D1116-C1120 WeakPolarHBondContact OD1-CB 3.45Å; D1116-C1120 PolarHBondContact OD1-N 2.97Å; D1116-C1120 WeakPolarHBondContact OD2-CB 3.28Å
1121	I	98.1	Very high	89.6	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.1	172.2	-57.7	160.6	0	0	0	108.5	E551 M552 I560 T574 W584 V1113 S1114 A1115	E551-I1121 WeakPolarHBondContact CA-O 3.26Å; M552-I1121 HydrophobicContact CB-CB 4.24Å; M552-I1121 PolarHBondContact N-O 2.98Å; M552-I1121 PolarHBondContact O-N 3.07Å; I560-I1121 HydrophobicContact CD1-CD1 3.87Å; I560-I1121 HydrophobicContact CD1-CG1 3.47Å; I560-I1121 VanDerWaalsContact CD1-CG1 3.47Å; T574-I1121 HydrophobicContact CG2-CD1 3.79Å; W584-I1121 HydrophobicContact CZ2-CD1 3.61Å; V1113-I1121 HydrophobicContact CG1-CG2 3.51Å; S1114-I1121 CarbonylContact O-C 3.59Å; S1114-I1121 WeakPolarHBondContact O-CA 3.35Å; A1115-I1121 HydrophobicContact CB-CG1 4.39Å
1122	R	96.6	Very high	87.4	Confident	38 Å²	38	29.1 Å²	29.1	14%	0.143	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.8	176.2	-77.7	175.9	167.3	-179.6	2.8	110.7	L548 Q550 E551 A1026 V1113 S1114 F1124	L548-R1122 HydrophobicContact CD1-CB 3.79Å; L548-R1122 HydrophobicContact CD1-CG 3.92Å; Q550-R1122 WeakPolarHBondContact O-CA 3.45Å; E551-R1122 HydrophobicContact CB-CG 4.35Å; E551-R1122 HydrophobicContact CG-CG 4.12Å; E551-R1122 IonicContact OE2-CZ 3.07Å; E551-R1122 IonicContact OE2-NE 2.64Å; E551-R1122 PolarHBondContact OE2-NE 3.49Å; E551-R1122 IonicContact OE2-NH2 2.74Å; E551-R1122 PolarHBondContact OE2-NH2 3.22Å; A1026-R1122 WeakPolarHBondContact O-CD 3.49Å; A1026-R1122 PolarHBondContact O-NH1 2.8Å; V1113-R1122 WeakPolarHBondContact CA-O 3.43Å; S1114-R1122 PolarHBondContact N-O 2.92Å; S1114-R1122 PolarHBondContact O-N 3.01Å; R1122-F1124 HydrophobicContact CB-CE2 3.58Å; R1122-F1124 HydrophobicContact CB-CZ 3.88Å
1123	V	96.4	Very high	84.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.7	-179.3	-173.6	0	0	0	0	109.1	V549 Q550 V732 F733 V1111 V1112 V1113	V549-V1123 HydrophobicContact CG2-CB 3.98Å; V549-V1123 HydrophobicContact CG2-CG1 3.78Å; V549-V1123 WeakPolarHBondContact CG2-O 3.21Å; V549-V1123 PolarHBondContact N-O 2.9Å; Q550-V1123 HydrophobicContact CB-CB 4.1Å; Q550-V1123 HydrophobicContact CB-CG2 4.19Å; Q550-V1123 PolarHBondContact N-O 3.18Å; Q550-V1123 PolarHBondContact O-N 3.19Å; V732-V1123 HydrophobicContact CB-CG1 4.33Å; V732-V1123 HydrophobicContact CG2-CG1 4.06Å; F733-V1123 HydrophobicContact CD2-CG2 3.94Å; F733-V1123 HydrophobicContact CE2-CG2 3.89Å; V1111-V1123 HydrophobicContact CG1-CG1 3.97Å; V1112-V1123 WeakPolarHBondContact O-CA 3.4Å; V1113-V1123 HydrophobicContact CG1-CG2 4.43Å; V1113-V1123 HydrophobicContact CG2-CG1 4.26Å; V1113-V1123 HydrophobicContact CG2-CG2 4.21Å
1124	F	94.9	Very high	81.7	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.3	-178.4	-56.5	-97.1	0	0	0	110.5	I529 I546 K547 L548 F995 A1026 V1111 V1112 S1114 R1122	I529-F1124 HydrophobicContact CD1-CD1 4.43Å; I529-F1124 HydrophobicContact CD1-CE1 4.33Å; I546-F1124 HydrophobicContact CD1-CB 3.72Å; I546-F1124 HydrophobicContact CD1-CD1 4.34Å; I546-F1124 HydrophobicContact CD1-CG 4.21Å; I546-F1124 HydrophobicContact CG1-CB 3.78Å; I546-F1124 HydrophobicContact CG1-CD1 4.38Å; I546-F1124 HydrophobicContact CG1-CG 4.47Å; K547-F1124 CarbonylContact O-C 3.51Å; K547-F1124 WeakPolarHBondContact O-CA 3.46Å; L548-F1124 HydrophobicContact CB-CD1 4.15Å; L548-F1124 HydrophobicContact CB-CE1 4.03Å; L548-F1124 HydrophobicContact CD1-CD1 4.23Å; L548-F1124 HydrophobicContact CD1-CE1 3.84Å; L548-F1124 HydrophobicContact CD1-CE2 4.37Å; L548-F1124 HydrophobicContact CD1-CZ 3.92Å; L548-F1124 HydrophobicContact CG-CE1 4.49Å; F995-F1124 HydrophobicContact CE1-CD2 4.01Å; F995-F1124 AromaticContact CE1-CE2 3.79Å; F995-F1124 HydrophobicContact CE1-CE2 3.79Å; F995-F1124 HydrophobicContact CE1-CZ 4.17Å; F995-F1124 HydrophobicContact CZ-CD2 4.3Å; F995-F1124 HydrophobicContact CZ-CE2 4.46Å; A1026-F1124 HydrophobicContact CB-CE2 4.2Å; A1026-F1124 HydrophobicContact CB-CZ 3.92Å; V1111-F1124 WeakPolarHBondContact CA-O 3.49Å; V1111-F1124 WeakPolarHBondContact CG1-O 3.35Å; V1112-F1124 HydrophobicContact CB-CB 4.31Å; V1112-F1124 PolarHBondContact N-O 3.24Å; V1112-F1124 PolarHBondContact O-N 3.02Å; S1114-F1124 WeakPolarHBondContact OG-CE2 3.34Å; R1122-F1124 HydrophobicContact CB-CE2 3.58Å; R1122-F1124 HydrophobicContact CB-CZ 3.88Å
1125	K	92.5	Very high	78.7	Confident	32 Å²	32	44.2 Å²	44.2	14%	0.139	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.2	172.3	-61.2	-171	-167.2	-166.3	0	109.9	I546 K547 V549 I1043 L1044 V1111	I546-K1125 WeakPolarHBondContact CA-O 3.37Å; K547-K1125 PolarHBondContact N-O 3.34Å; K547-K1125 PolarHBondContact O-N 2.68Å; V549-K1125 HydrophobicContact CB-CD 4.45Å; V549-K1125 HydrophobicContact CB-CG 4.3Å; V549-K1125 HydrophobicContact CG1-CB 4.02Å; V549-K1125 HydrophobicContact CG1-CD 3.79Å; V549-K1125 HydrophobicContact CG1-CG 3.65Å; V549-K1125 HydrophobicContact CG2-CD 4.21Å; V549-K1125 HydrophobicContact CG2-CG 3.75Å; I1043-K1125 HydrophobicContact CG2-CD 4.15Å; I1043-K1125 PolarHBondContact O-NZ 2.94Å; L1044-K1125 HydrophobicContact CD2-CB 4.09Å; L1044-K1125 HydrophobicContact CD2-CD 3.93Å; L1044-K1125 HydrophobicContact CD2-CG 4.23Å; V1111-K1125 HydrophobicContact CG2-CG 4.26Å
1126	K	89.9	Confident	75.4	Confident	14 Å²	14	49.8 Å²	49.8	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.1	167.2	174.4	-119.3	167.3	158.2	0	107.7	E542 F543 I546 G1109 E1110	E542-K1126 WeakPolarHBondContact O-CE 3.48Å; E542-K1126 PolarHBondContact O-NZ 2.81Å; F543-K1126 HydrophobicContact CD1-CB 4.22Å; F543-K1126 HydrophobicContact CD1-CD 4.19Å; F543-K1126 HydrophobicContact CD1-CG 4.15Å; F543-K1126 HydrophobicContact CE1-CB 4.41Å; F543-K1126 HydrophobicContact CE1-CD 4.06Å; F543-K1126 HydrophobicContact CE1-CG 4.44Å; I546-K1126 HydrophobicContact CG1-CB 4.5Å; G1109-K1126 CarbonylContact C-O 3.53Å; G1109-K1126 VanDerWaalsContact CA-O 3.23Å; G1109-K1126 WeakPolarHBondContact CA-O 3.35Å; E1110-K1126 HydrophobicContact CB-CB 4.44Å; E1110-K1126 HydrophobicContact CB-CD 4.32Å; E1110-K1126 HydrophobicContact CG-CD 4.25Å; E1110-K1126 PolarHBondContact N-O 3.4Å; E1110-K1126 PolarHBondContact O-N 2.89Å
1127	F	86.4	Confident	72.2	Confident	63 Å²	63	56.4 Å²	56.4	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	152.2	173.9	-69.9	-83.1	0	0	0	110.7	L1044 L1108	L1044-F1127 HydrophobicContact CB-CE1 4.27Å; L1044-F1127 HydrophobicContact CD2-CD1 3.92Å; L1044-F1127 HydrophobicContact CD2-CE1 3.57Å; L1044-F1127 HydrophobicContact CD2-CE2 4.5Å; L1044-F1127 HydrophobicContact CD2-CZ 3.89Å; L1044-F1127 HydrophobicContact CG-CE1 4.49Å; L1108-F1127 WeakPolarHBondContact O-CA 3.45Å
1128	S	81.5	Confident	71.1	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.042	33%	0.332	C	S	.	.			trans	-68.2	140.3	169.5	-175.7	0	0	0	0	110.5	L1108 E1130 I1131	L1108-S1128 PolarHBondContact O-N 2.9Å; S1128-E1130 PolarHBondContact O-N 3.43Å; S1128-E1130 PolarHBondContact OG-N 3.28Å; S1128-I1131 PolarHBondContact O-N 2.95Å
1129	T	69.5	Low	69.8	Low	88 Å²	88	56.3 Å²	56.3	54%	0.54	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-26.8	177.3	47	0	0	0	0	112.6	I1131 T1132 Q1133	T1129-I1131 PolarHBondContact O-N 3.1Å; T1129-T1132 WeakPolarHBondContact CA-OG1 3.42Å; T1129-T1132 PolarHBondContact O-N 3.17Å; T1129-T1132 PolarHBondContact O-OG1 3.39Å; T1129-Q1133 PolarHBondContact O-N 3.24Å
1130	E	60.8	Low	68.4	Low	137 Å²	137	59.2 Å²	59.2	64%	0.64	34%	0.336	S	S	*	.	H	α-helix	trans	-61.4	-33.2	178.5	-67.2	171.4	-176.9	0	0	112	S1128 S1134	S1128-E1130 PolarHBondContact O-N 3.43Å; S1128-E1130 PolarHBondContact OG-N 3.28Å; E1130-S1134 PolarHBondContact O-N 3.34Å
1131	I	51.9	Low	66.7	Low	40 Å²	40	62.4 Å²	62.4	21%	0.205	35%	0.354	C	S	.	.	H	α-helix	trans	-82	-30	179.3	-63.9	161.4	0	0	0	111.7	L1108 S1128 T1129 Q1133 S1134 T1135	L1108-I1131 HydrophobicContact CB-CD1 4.07Å; L1108-I1131 HydrophobicContact CD2-CD1 3.37Å; L1108-I1131 HydrophobicContact CG-CD1 4.29Å; S1128-I1131 PolarHBondContact O-N 2.95Å; T1129-I1131 PolarHBondContact O-N 3.1Å; I1131-Q1133 PolarHBondContact O-N 3.22Å; I1131-S1134 PolarHBondContact O-N 3.41Å; I1131-S1134 PolarHBondContact O-OG 3.36Å; I1131-T1135 HydrophobicContact CG2-CG2 3.98Å; I1131-T1135 PolarHBondContact O-N 2.97Å; I1131-T1135 PolarHBondContact O-OG1 3.33Å
1132	T	47.4	Very low	64.7	Low	56 Å²	56	66.3 Å²	66.3	34%	0.344	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-23.4	175.5	47.1	0	0	0	0	112.3	T1129	T1129-T1132 WeakPolarHBondContact CA-OG1 3.42Å; T1129-T1132 PolarHBondContact O-N 3.17Å; T1129-T1132 PolarHBondContact O-OG1 3.39Å
1133	Q	37.8	Very low	62.6	Low	155 Å²	155	68.1 Å²	68.1	72%	0.724	39%	0.391	S	S	*	.	H	α-helix	trans	-84.1	-41.4	172.9	-69	-178.3	-8.8	0	0	112.3	T1129 I1131 T1135 C1136	T1129-Q1133 PolarHBondContact O-N 3.24Å; I1131-Q1133 PolarHBondContact O-N 3.22Å; Q1133-T1135 PolarHBondContact O-N 3.44Å; Q1133-C1136 PolarHBondContact O-N 3.13Å
1134	S	38.2	Very low	60.2	Low	67 Å²	67	73 Å²	73	47%	0.469	42%	0.419	S	S	.	.	H	α-helix	trans	-77.9	-16.8	-177.8	64.1	0	0	0	0	115.4	E1130 I1131 C1136 S1137	E1130-S1134 PolarHBondContact O-N 3.34Å; I1131-S1134 PolarHBondContact O-N 3.41Å; I1131-S1134 PolarHBondContact O-OG 3.36Å; S1134-C1136 VanDerWaalsContact C-N 3.33Å; S1134-S1137 PolarHBondContact O-OG 3.43Å; S1134-S1137 VanDerWaalsContact O-OG 3.05Å; S1134-S1137 VanDerWaalsContact O-OXT 3.09Å
1135	T	35.5	Very low	57.5	Low	97 Å²	97	78.4 Å²	78.4	60%	0.595	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.6	172.2	48.8	0	0	0	0	113.7	I1131 Q1133	I1131-T1135 HydrophobicContact CG2-CG2 3.98Å; I1131-T1135 PolarHBondContact O-N 2.97Å; I1131-T1135 PolarHBondContact O-OG1 3.33Å; Q1133-T1135 PolarHBondContact O-N 3.44Å
1136	C	29.2	Very low	54.6	Low	117 Å²	117	82.3 Å²	82.3	79%	0.791	48%	0.476	S	S	*	.			trans	-99.1	-4.1	171.1	-64.9	0	0	0	0	113.4	Q1133 S1134	Q1133-C1136 PolarHBondContact O-N 3.13Å; S1134-C1136 VanDerWaalsContact C-N 3.33Å
1137	S	27.8	Very low	51.4	Low	147 Å²	147	88.5 Å²	88.5	100%	1.028	51%	0.514	S	S	*	.			trans	-103.4	0	166.8	61.1	0	0	0	0	109.9	S1134	S1134-S1137 PolarHBondContact O-OG 3.43Å; S1134-S1137 VanDerWaalsContact O-OG 3.05Å; S1134-S1137 VanDerWaalsContact O-OXT 3.09Å

Retrieved 1,137 of 1,137 residues in 827.6 ms (Link to these results)

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