A0A3Q0KCF6_SCHMA Loading...

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KCF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,201 aa.

						>A0A3Q0KCF6_SCHMA|A0A3Q0KCF6
MNSQSTSSKHDELREHIFDYSNYFSTEDENSNWKRSTSDASFFLDGKLPIDECDTSGNVSEQARVYWNLPEAVEASVTPSCGLDRSQRSYEVRKLEKVSTGSATSRVQVHRVHFQEHNLTPIMRKDGTNRSQSTSFTPFQNIDSARLLRQFQDQQQQKDYNLDSTRLLSVQHRSKSDTNQSISSSSKFVLRTADHQSDLTNSDAIIMGNTAVKKEYSKESTTSSLSSVLNNRLDTFINHTSDNVDNKIFNDINPKSNHNFQVIEQKMKSEMEKLRHISSSPFTVSSSSSLSTIVQPLDNIDNIITTMPTILQDNNSVLVRNEKDMNRLNEEYKTIVNCEYWLNKARQACENQADLNVLTADLIKPDGLLETIASRLIKPIESTSEAPTIDLTQNIHEQYSHNDDLKTSEIFTESTDNVDGKPVKLLSSTSSDLNLPKVNQYNEANRRVVIGSARLLGQILSENHLLEILDKKLVSQKHSNFSHKDEFDKVDKLIIQKQECSPYNTSPTYDNDYEKSIDTNGTTKLSSPTTISSTQNSLLYNDKLPSYGHITSLLKNIIGKCWEYREDVDIYREYLGILEPLLKHTETMCDTVVENGGLRSLIYACRSSDLPSLRHAAVCLMSLALFGGSGSHSEMMRQHAIEWLFCLAFHQDEVIRYFACLTSAVLSTNPELTAAVNASCTLDLVMPFVRSHSPIEFARQQLVAAFQHTCKNSASYTSESQTSFTNNQSDTTKYCCENRYTGGTADWLKRLIPVMFSKQFEPRVLVAFHFAVEATLKSDMKCSQVFYESDIVEILRNVVCSSTFLESKFAAMALHILGEDIPCRLPAQVPLWDYAEVECWLTRRGFEDLASKFSKLRVDGDLLLRLDEFKLEKDLGLENGITRSRLLRELCSLKINADYSAVDPTGISAWLREATRITALNNTNTPRNPMTSDYVVIKDDFQWTMASTNASEYTSKYCYTHDLSCLNQSFDLLQYTYNFISAGVHCPFLPYLSDKMLLEDCHIKNGIHRKRILEAIQSSISIHNQLRLTDNDSKLNTSSKPNKYIDIFISYRRSTGSQLASLLKVHFHLRGYRVFLDIDRLTAGKFHESLLHSIRSSYNFVLVLTPRALDRCLNDIHCTDWIHKEVVCALESGCNIIPITDNFTWPLAESLPEDLRSITTYNAVNWIHDYQEACIDKVEKFMIKPITSTPLPCSQIKPFEK
					

Structure Viewer

Loading PAE data...

(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	28.2	Very low	30.5	Very low	245 Å²	245	150.3 Å²	150.3	100%	1.207	83%	0.827	S	S	*	*				0	160	0	-77.1	173.7	166.7	0	0	108.8
2	N	30	Very low	30	Very low	155 Å²	155	153.9 Å²	153.9	83%	0.829	83%	0.834	S	S	*	*			trans	-48.8	163.4	-173.4	-58	11.7	0	0	0	116.6
3	S	31.8	Very low	29.7	Very low	94 Å²	94	155 Å²	155	66%	0.657	84%	0.837	S	S	*	*			cis	179.8	124.3	-36.2	53.1	0	0	0	0	111.8
4	Q	32	Very low	29.5	Very low	186 Å²	186	161.8 Å²	161.8	87%	0.869	85%	0.845	S	S	*	*			trans	60.5	161.6	148.8	-70.5	-174.9	-23	0	0	122.8
5	S	32.8	Very low	29.1	Very low	109 Å²	109	163.8 Å²	163.8	76%	0.762	85%	0.848	S	S	*	*			trans	68.1	138.7	170.6	67.8	0	0	0	0	118.8
6	T	28.7	Very low	29	Very low	135 Å²	135	164.8 Å²	164.8	83%	0.828	85%	0.847	S	S	*	*			cis	158.9	124.6	-39	39.4	0	0	0	0	108.1
7	S	32.7	Very low	28.9	Very low	121 Å²	121	163.2 Å²	163.2	85%	0.846	84%	0.839	S	S	*	*			trans	-160.8	164.6	154.8	-158.7	0	0	0	0	112
8	S	32.7	Very low	28.8	Very low	101 Å²	101	163.2 Å²	163.2	71%	0.706	83%	0.832	S	S	*	*			trans	-51.6	145.7	-175.6	46.9	0	0	0	0	115.7
9	K	28.5	Very low	28.5	Very low	198 Å²	198	162.3 Å²	162.3	86%	0.861	83%	0.829	S	S	*	*			cis	98.6	147.7	34.3	-87.8	-160.4	170.4	-166.3	0	114.9
10	H	29.5	Very low	28.3	Very low	166 Å²	166	164.1 Å²	164.1	77%	0.769	83%	0.827	S	S	*	*			trans	87.1	121.8	-169.8	-67	-76.1	0	0	0	114.2
11	D	28.6	Very low	28.1	Very low	143 Å²	143	160.9 Å²	160.9	77%	0.765	82%	0.82	S	S	*	*			cis	-140.4	131.2	-4.8	-89.5	-48.5	0	0	0	111.8
12	E	24.5	Very low	28	Very low	194 Å²	194	156.6 Å²	156.6	91%	0.907	80%	0.802	S	S	*	*			trans	-160.8	117.1	170	-142.9	171.1	-131.4	0	0	108.7
13	L	26.7	Very low	27.7	Very low	168 Å²	168	159.7 Å²	159.7	88%	0.88	80%	0.803	S	S	*	*			trans	-162.1	59.8	-174.2	-122.5	-177.3	0	0	0	114.8
14	R	25.8	Very low	27.3	Very low	250 Å²	250	165.3 Å²	165.3	94%	0.943	82%	0.816	S	S	*	*			trans	-165.7	64	159.4	-122.6	179.4	-177.4	-160.1	-1	116.4
15	E	24.2	Very low	27.1	Very low	192 Å²	192	161.3 Å²	161.3	90%	0.897	81%	0.809	S	S	*	*			trans	-140.6	139.1	148.9	-78.7	-157.5	165.7	0	0	110.7
16	H	26.6	Very low	26.7	Very low	179 Å²	179	161.5 Å²	161.5	83%	0.829	81%	0.806	S	S	*	*			trans	-173.1	148	171.8	-122.3	-72.4	0	0	0	108.5
17	I	28.1	Very low	26.5	Very low	139 Å²	139	163.7 Å²	163.7	71%	0.713	81%	0.807	S	S	*	*			trans	69.5	116.8	164.9	-60.4	169.8	0	0	0	113.5
18	F	27.4	Very low	26.3	Very low	163 Å²	163	166 Å²	166	72%	0.715	81%	0.809	S	S	*	*			cis	-148.8	149.7	-6	-108.8	-56.2	0	0	0	108.8	Y20	F18-Y20 HydrophobicContact CB-CD2 4.44Å; F18-Y20 AromaticContact CD1-CD2 4Å; F18-Y20 HydrophobicContact CD1-CD2 4Å; F18-Y20 AromaticContact CD1-CE2 3.87Å; F18-Y20 HydrophobicContact CD1-CE2 3.87Å; F18-Y20 AromaticContact CE1-CE2 3.93Å; F18-Y20 HydrophobicContact CE1-CE2 3.93Å; F18-Y20 HydrophobicContact CG-CD2 4.22Å; F18-Y20 HydrophobicContact CG-CE2 4.25Å; F18-Y20 HydrophobicContact CZ-CE2 4.36Å
19	D	23.1	Very low	25.9	Very low	145 Å²	145	168.9 Å²	168.9	78%	0.775	81%	0.812	S	S	*	*			trans	-126.3	137.2	162.8	-167.8	-1.2	0	0	0	108.4
20	Y	25.2	Very low	25.6	Very low	199 Å²	199	165.9 Å²	165.9	78%	0.78	81%	0.805	S	S	*	*			trans	-136.8	76.7	-165.1	-114.9	-76.4	0	0	0	111.5	F18	F18-Y20 HydrophobicContact CB-CD2 4.44Å; F18-Y20 AromaticContact CD1-CD2 4Å; F18-Y20 HydrophobicContact CD1-CD2 4Å; F18-Y20 AromaticContact CD1-CE2 3.87Å; F18-Y20 HydrophobicContact CD1-CE2 3.87Å; F18-Y20 AromaticContact CE1-CE2 3.93Å; F18-Y20 HydrophobicContact CE1-CE2 3.93Å; F18-Y20 HydrophobicContact CG-CD2 4.22Å; F18-Y20 HydrophobicContact CG-CE2 4.25Å; F18-Y20 HydrophobicContact CZ-CE2 4.36Å
21	S	23.1	Very low	25.6	Very low	96 Å²	96	163.3 Å²	163.3	67%	0.671	81%	0.806	S	S	*	*			trans	-133.8	74.7	173.5	55.1	0	0	0	0	112.2
22	N	25.2	Very low	25.4	Very low	156 Å²	156	163.6 Å²	163.6	83%	0.834	81%	0.807	S	S	*	*			trans	-158.9	98.6	168.2	-103.6	-37.8	0	0	0	111.7
23	Y	25.2	Very low	25.4	Very low	219 Å²	219	166 Å²	166	86%	0.859	81%	0.808	S	S	*	*			trans	-158.3	95.7	154.2	-111.8	-71.7	0	0	0	110.4
24	F	23.2	Very low	25.2	Very low	212 Å²	212	167.5 Å²	167.5	93%	0.93	81%	0.807	S	S	*	*			trans	-151.4	106.2	161.5	-108.9	-71.8	0	0	0	108.7
25	S	27.7	Very low	25.2	Very low	103 Å²	103	167 Å²	167	72%	0.72	81%	0.805	S	S	*	*			trans	-134.5	105.3	169	-66.7	0	0	0	0	108.8
26	T	24.7	Very low	25.2	Very low	113 Å²	113	163.2 Å²	163.2	69%	0.693	80%	0.8	S	S	*	*			trans	22.4	140.6	140.4	51.7	0	0	0	0	121.5
27	E	24.4	Very low	25.1	Very low	181 Å²	181	161.3 Å²	161.3	85%	0.846	80%	0.802	S	S	*	*			trans	75.8	105.1	149.4	-69.8	156.8	-142.7	0	0	118.3
28	D	27.7	Very low	24.9	Very low	168 Å²	168	159.1 Å²	159.1	90%	0.898	80%	0.799	S	S	*	*				-155.3	164.5	103.8	-132.1	-28.8	0	0	0	111.6
29	E	23.8	Very low	24.6	Very low	163 Å²	163	159.2 Å²	159.2	76%	0.762	81%	0.807	S	S	*	*			trans	-93	167.3	-171.8	-66.7	-161	149	0	0	116.4
30	N	23.9	Very low	24.6	Very low	134 Å²	134	155.6 Å²	155.6	72%	0.717	80%	0.797	S	S	*	*			trans	62.8	100	152.2	-73.2	-57.8	0	0	0	119.8
31	S	29.1	Very low	24.5	Very low	112 Å²	112	151.5 Å²	151.5	78%	0.783	80%	0.798	S	S	*	*				-161.5	144.4	123.4	43.3	0	0	0	0	113.8
32	N	23	Very low	24.7	Very low	149 Å²	149	155.6 Å²	155.6	80%	0.797	80%	0.803	S	S	*	*			trans	-79.8	121.7	-178.3	-84.9	-87.3	0	0	0	112.2
33	W	25.6	Very low	24.9	Very low	244 Å²	244	156 Å²	156	92%	0.924	80%	0.798	S	S	*	*			trans	-134.7	114.8	154.8	-80.3	96.2	0	0	0	111.9
34	K	22.9	Very low	24.8	Very low	200 Å²	200	154.3 Å²	154.3	87%	0.87	80%	0.803	S	S	*	*			trans	-74.4	130	172.6	-66.9	176.8	178.3	176.9	0	109.9
35	R	25.9	Very low	25.1	Very low	239 Å²	239	151.3 Å²	151.3	90%	0.902	80%	0.796	S	S	*	*			trans	-137.5	132	150.3	-119.6	179.2	-178.4	-168.9	-0.3	110.4	T37	R35-T37 PolarHBondContact O-N 2.89Å
36	S	23.6	Very low	25	Very low	113 Å²	113	149.7 Å²	149.7	79%	0.79	80%	0.797	S	S	*	*			trans	-80.5	116.2	179.9	-177.9	0	0	0	0	109.2
37	T	25	Very low	25.1	Very low	140 Å²	140	153.8 Å²	153.8	86%	0.859	81%	0.805	S	S	*	*			trans	-105.6	92.6	174.5	46.8	0	0	0	0	109.6	R35	R35-T37 PolarHBondContact O-N 2.89Å
38	S	22.9	Very low	25	Very low	93 Å²	93	153.2 Å²	153.2	65%	0.65	81%	0.807	S	S	*	*			trans	-127.7	82.7	166.8	59.5	0	0	0	0	108.9
39	D	21.9	Very low	25.1	Very low	165 Å²	165	150.9 Å²	150.9	88%	0.882	80%	0.8	S	S	*	*	S	Bend	trans	-170.2	145.2	139.1	-96.2	-27.3	0	0	0	111.8
40	A	22.5	Very low	25.2	Very low	69 Å²	69	150.1 Å²	150.1	57%	0.57	80%	0.8	S	S	*	*			trans	55.4	81	164	0	0	0	0	0	120.4
41	S	23.5	Very low	25.5	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	80%	0.803	S	S	*	*			trans	-168.6	124.6	131.8	25.9	0	0	0	0	113.1
42	F	26.4	Very low	25.5	Very low	181 Å²	181	153.5 Å²	153.5	79%	0.794	80%	0.804	S	S	*	*			trans	-164.1	130.6	171.3	-91.3	-49.9	0	0	0	106.8
43	F	29	Very low	25.8	Very low	166 Å²	166	152.4 Å²	152.4	73%	0.728	81%	0.806	S	S	*	*			cis	-129.3	148.6	-7.4	-81.7	-97.1	0	0	0	109.9
44	L	24.5	Very low	25.8	Very low	182 Å²	182	148.2 Å²	148.2	95%	0.953	80%	0.802	S	S	*	*			trans	-129	79.8	154.3	-117.2	177.2	0	0	0	107.6
45	D	28.8	Very low	26.2	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	80%	0.803	S	S	*	*			trans	-154.7	135.3	162	-141.1	-21.3	0	0	0	111.2	K47	D45-K47 PolarHBondContact O-N 3.37Å
46	G	25.3	Very low	26.1	Very low	70 Å²	70	140.3 Å²	140.3	72%	0.722	80%	0.802	S	S	*	*			trans	-97.6	89.2	-166.3	0	0	0	0	0	113.5
47	K	27.2	Very low	26.3	Very low	199 Å²	199	137.9 Å²	137.9	87%	0.865	80%	0.796	S	S	*	*			trans	-154.2	119.1	166.1	-103.7	150.9	-171.4	168.7	0	111.7	D45	D45-K47 PolarHBondContact O-N 3.37Å
48	L	23.4	Very low	26.3	Very low	169 Å²	169	139.3 Å²	139.3	89%	0.885	80%	0.798	S	S	*	*			trans	-83.4	124.8	167.7	-80.5	161.4	0	0	0	109.8
49	P	28.5	Very low	26.3	Very low	118 Å²	118	141.6 Å²	141.6	77%	0.766	81%	0.808	S	S	*	*			trans	-70.5	161.8	157.3	-11.9	29.4	0	0	0	110.4
50	I	27	Very low	26.6	Very low	148 Å²	148	137.9 Å²	137.9	76%	0.759	80%	0.795	S	S	*	*			trans	-117.6	155.1	-178.4	-62.2	174	0	0	0	108.7
51	D	30.5	Very low	26.8	Very low	144 Å²	144	143.5 Å²	143.5	77%	0.77	81%	0.809	S	S	*	*			trans	84.2	131.7	169.9	-63.2	-33.6	0	0	0	121.4
52	E	27.7	Very low	26.9	Very low	173 Å²	173	145.1 Å²	145.1	81%	0.808	80%	0.804	S	S	*	*			trans	53.9	94.9	147.9	-63.3	-175.1	171.4	0	0	121.6
53	C	30.2	Very low	26.8	Very low	125 Å²	125	141.2 Å²	141.2	85%	0.845	81%	0.805	S	S	*	*				-179.3	154.7	95.2	-92.4	0	0	0	0	113.6
54	D	24.8	Very low	26.5	Very low	157 Å²	157	144 Å²	144	84%	0.84	81%	0.811	S	S	*	*			trans	-65	136.4	-170.8	-63.8	-63.1	0	0	0	116.1
55	T	31.5	Very low	26.6	Very low	146 Å²	146	141.9 Å²	141.9	90%	0.896	81%	0.806	S	S	*	*				-159.4	115.7	126.7	-0.2	0	0	0	0	111.3	G57	T55-G57 PolarHBondContact O-N 3.38Å
56	S	24	Very low	26.5	Very low	126 Å²	126	144 Å²	144	88%	0.881	80%	0.804	S	S	*	*			trans	-76	116.7	179	57.3	0	0	0	0	112
57	G	27.5	Very low	26.4	Very low	63 Å²	63	152.4 Å²	152.4	65%	0.649	81%	0.814	S	S	*	*			trans	-144.3	110.9	172.2	0	0	0	0	0	111	T55 V59	T55-G57 PolarHBondContact O-N 3.38Å; G57-V59 PolarHBondContact O-N 2.86Å
58	N	24.3	Very low	26.4	Very low	169 Å²	169	149.9 Å²	149.9	90%	0.904	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.3	119.4	-174.3	-65.3	-14.3	0	0	0	111.6
59	V	24.5	Very low	26.4	Very low	141 Å²	141	148.9 Å²	148.9	86%	0.855	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-93.4	118.7	164.3	-179.3	0	0	0	0	107.8	G57	G57-V59 PolarHBondContact O-N 2.86Å
60	S	27.2	Very low	26.2	Very low	87 Å²	87	148.4 Å²	148.4	61%	0.608	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.7	143.6	-175.5	-149	0	0	0	0	112	Q62	S60-Q62 PolarHBondContact O-N 3.03Å; S60-Q62 PolarHBondContact OG-OE1 2.8Å
61	E	26.6	Very low	26	Very low	187 Å²	187	148.2 Å²	148.2	87%	0.874	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-71	1.5	-173.3	-64.3	-171.8	106.3	0	0	115.2	A63	E61-A63 PolarHBondContact O-N 2.84Å; E61-A63 VanDerWaalsContact O-N 3.12Å
62	Q	25.9	Very low	25.6	Very low	147 Å²	147	145.6 Å²	145.6	69%	0.687	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-68.4	-7.6	-173.3	-86.3	66.5	28.1	0	0	115.7	S60 R64	S60-Q62 PolarHBondContact O-N 3.03Å; S60-Q62 PolarHBondContact OG-OE1 2.8Å; Q62-R64 VanDerWaalsContact C-N 3.28Å; Q62-R64 PolarHBondContact O-N 3.3Å
63	A	24.3	Very low	25.5	Very low	99 Å²	99	144.2 Å²	144.2	82%	0.818	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-83.4	20.2	-172.9	0	0	0	0	0	115.8	E61	E61-A63 PolarHBondContact O-N 2.84Å; E61-A63 VanDerWaalsContact O-N 3.12Å
64	R	23.8	Very low	25.2	Very low	224 Å²	224	145.7 Å²	145.7	85%	0.845	79%	0.793	S	S	*	*			trans	-124.8	75.4	177.3	-90	-174.3	166.4	172.3	-2.6	112.8	Q62	Q62-R64 VanDerWaalsContact C-N 3.28Å; Q62-R64 PolarHBondContact O-N 3.3Å
65	V	26.8	Very low	25.2	Very low	139 Å²	139	142 Å²	142	84%	0.842	79%	0.785	S	S	*	*			trans	-121.8	135.6	161	-177.2	0	0	0	0	108
66	Y	26.1	Very low	24.8	Very low	193 Å²	193	140.2 Å²	140.2	76%	0.757	78%	0.778	S	S	*	*			trans	-84.6	144.3	-164.1	-85	-108.7	0	0	0	114
67	W	22.3	Very low	24.8	Very low	247 Å²	247	141 Å²	141	94%	0.936	78%	0.778	S	S	*	*			trans	-76.8	128.9	148.5	-74.5	99.9	0	0	0	109.1
68	N	27	Very low	24.5	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	78%	0.781	S	S	*	*			trans	-88.3	108.5	-179.8	-77.9	-27.1	0	0	0	111.6	P70	N68-P70 WeakPolarHBondContact O-CD 3.48Å
69	L	23.6	Very low	24.5	Very low	149 Å²	149	141.6 Å²	141.6	78%	0.78	78%	0.777	S	S	*	*			trans	-93.2	109.3	152.5	-96.7	78.4	0	0	0	108.7	E71	L69-E71 VanDerWaalsContact C-N 3.25Å; L69-E71 PolarHBondContact O-N 2.65Å; L69-E71 VanDerWaalsContact O-N 3.09Å
70	P	24.5	Very low	24.7	Very low	108 Å²	108	140.6 Å²	140.6	70%	0.701	78%	0.776	S	S	*	*			trans	-87.3	55.6	-179.6	37.1	-36.4	0	0	0	111.9	N68	N68-P70 WeakPolarHBondContact O-CD 3.48Å
71	E	22.4	Very low	24.5	Very low	144 Å²	144	143.3 Å²	143.3	67%	0.673	79%	0.794	S	S	*	*			trans	-126.1	11.4	-178.6	-149.3	153.9	-125.9	0	0	113.6	L69 R824	L69-E71 VanDerWaalsContact C-N 3.25Å; L69-E71 PolarHBondContact O-N 2.65Å; L69-E71 VanDerWaalsContact O-N 3.09Å; E71-R824 IonicContact OE1-NH1 2.72Å
72	A	23.7	Very low	24.6	Very low	89 Å²	89	137.6 Å²	137.6	74%	0.736	79%	0.785	S	S	*	*	S	Bend	trans	-144.7	108.3	168.1	0	0	0	0	0	111.7
73	V	25	Very low	24.6	Very low	144 Å²	144	139.1 Å²	139.1	87%	0.873	80%	0.797	S	S	*	*			trans	153.6	93.8	148.9	163.6	0	0	0	0	108.1
74	E	22.6	Very low	24.8	Very low	155 Å²	155	141.4 Å²	141.4	72%	0.724	80%	0.795	S	S	*	*			trans	-142.3	74.6	154.3	-162.1	162.3	-128.7	0	0	107.3
75	A	24.7	Very low	24.8	Very low	81 Å²	81	142.7 Å²	142.7	67%	0.669	80%	0.8	S	S	*	*			trans	-114.1	88.7	-172.2	0	0	0	0	0	111
76	S	24.4	Very low	24.8	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	79%	0.79	S	S	*	*			trans	34.4	86.2	155.1	52.9	0	0	0	0	118.2	T78	S76-T78 PolarHBondContact O-N 3.36Å
77	V	23.5	Very low	24.8	Very low	143 Å²	143	140.5 Å²	140.5	87%	0.867	80%	0.797	S	S	*	*			trans	-77.8	108	159.7	179.1	0	0	0	0	109.5
78	T	22.4	Very low	24.9	Very low	118 Å²	118	139.2 Å²	139.2	72%	0.724	79%	0.792	S	S	*	*			trans	-99	125.4	164.8	44.4	0	0	0	0	110.1	S76 S80	S76-T78 PolarHBondContact O-N 3.36Å; T78-S80 PolarHBondContact O-N 3.25Å; T78-S80 VanDerWaalsContact O-N 3.17Å
79	P	23.9	Very low	24.7	Very low	125 Å²	125	138 Å²	138	81%	0.812	80%	0.796	S	S	*	*			trans	-80.5	99.7	-178.3	30.8	-33.5	0	0	0	111.1
80	S	27.4	Very low	24.8	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	80%	0.796	S	S	*	*			trans	-75.8	126.8	164.7	47.9	0	0	0	0	110.2	T78	T78-S80 PolarHBondContact O-N 3.25Å; T78-S80 VanDerWaalsContact O-N 3.17Å
81	C	23.5	Very low	24.8	Very low	144 Å²	144	141.8 Å²	141.8	97%	0.973	79%	0.793	S	S	*	*			trans	-92.3	120.7	-179.3	-166.9	0	0	0	0	110.3
82	G	28.6	Very low	24.9	Very low	67 Å²	67	141.6 Å²	141.6	69%	0.691	80%	0.801	S	S	*	*			trans	-176.2	150.1	179.4	0	0	0	0	0	111.8
83	L	26.6	Very low	24.9	Very low	178 Å²	178	146.9 Å²	146.9	93%	0.932	80%	0.802	S	S	*	*			trans	-89	119.2	-179.2	-61.9	86.9	0	0	0	110.4
84	D	27.1	Very low	25	Very low	147 Å²	147	147.8 Å²	147.8	79%	0.786	79%	0.794	S	S	*	*				-163	169.9	106.7	-140	-43.6	0	0	0	110.6
85	R	24.9	Very low	25.1	Very low	251 Å²	251	148.3 Å²	148.3	95%	0.947	80%	0.801	S	S	*	*			trans	-114.9	22.9	-173.1	-111.8	-174.6	-173.9	-165.2	2.9	115.3
86	S	26	Very low	25.1	Very low	90 Å²	90	150.8 Å²	150.8	63%	0.629	80%	0.799	S	S	*	*	S	Bend	trans	-126.5	144	172.3	66	0	0	0	0	111.6
87	Q	26.2	Very low	25.2	Very low	196 Å²	196	155.6 Å²	155.6	92%	0.916	81%	0.806	S	S	*	*			trans	68.5	117.7	-171.1	-52.7	-176.6	-5.1	0	0	115.5
88	R	25.7	Very low	25.5	Very low	220 Å²	220	155.1 Å²	155.1	83%	0.83	80%	0.803	S	S	*	*			trans	-114.5	110.3	159.6	-82.2	-176.1	170.3	-176.5	-4.7	108.1
89	S	22.9	Very low	25.8	Very low	121 Å²	121	154.4 Å²	154.4	85%	0.846	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88.3	127.9	172.2	53.1	0	0	0	0	110.4
90	Y	25.5	Very low	26	Very low	201 Å²	201	155.1 Å²	155.1	79%	0.788	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-91.7	126.1	174	-65.7	-92.9	0	0	0	110
91	E	24.8	Very low	26	Very low	134 Å²	134	153.4 Å²	153.4	63%	0.626	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-102.6	122	174.2	-168.1	-174.4	174.9	0	0	109.8	R93	E91-R93 HydrophobicContact CG-CG 4.32Å; E91-R93 IonicContact OE1-CZ 2.73Å; E91-R93 VanDerWaalsContact OE1-CZ 3.28Å; E91-R93 IonicContact OE1-NE 2.75Å; E91-R93 PolarHBondContact OE1-NE 2.66Å; E91-R93 IonicContact OE1-NH2 3.16Å; E91-R93 PolarHBondContact OE1-NH2 3.11Å; E91-R93 IonicContact OE2-CZ 3.36Å; E91-R93 IonicContact OE2-NE 2.72Å; E91-R93 IonicContact OE2-NH2 3.47Å; E91-R93 PolarHBondContact OE2-NH2 3.26Å
92	V	24.3	Very low	26.2	Very low	141 Å²	141	152.3 Å²	152.3	86%	0.855	80%	0.801	S	S	*	*			trans	-115.1	107.3	175.7	-179.4	0	0	0	0	108.7
93	R	24.1	Very low	26.1	Very low	199 Å²	199	153.5 Å²	153.5	75%	0.751	80%	0.804	S	S	*	*			trans	-91.3	107.3	177.6	-65	-175.7	-175.8	151	14.5	110.3	E91	E91-R93 HydrophobicContact CG-CG 4.32Å; E91-R93 IonicContact OE1-CZ 2.73Å; E91-R93 VanDerWaalsContact OE1-CZ 3.28Å; E91-R93 IonicContact OE1-NE 2.75Å; E91-R93 PolarHBondContact OE1-NE 2.66Å; E91-R93 IonicContact OE1-NH2 3.16Å; E91-R93 PolarHBondContact OE1-NH2 3.11Å; E91-R93 IonicContact OE2-CZ 3.36Å; E91-R93 IonicContact OE2-NE 2.72Å; E91-R93 IonicContact OE2-NH2 3.47Å; E91-R93 PolarHBondContact OE2-NH2 3.26Å
94	K	26	Very low	26.1	Very low	164 Å²	164	151.4 Å²	151.4	71%	0.713	80%	0.799	S	S	*	*			trans	-83.2	124.6	164.3	-168.1	-172.3	-172.9	-170.3	0	108.6	E96	K94-E96 HydrophobicContact CD-CG 4.19Å; K94-E96 VanDerWaalsContact CE-OE1 3.25Å; K94-E96 WeakPolarHBondContact CE-OE1 3.07Å; K94-E96 HydrophobicContact CG-CG 4.45Å; K94-E96 IonicContact NZ-OE1 3.31Å; K94-E96 PolarHBondContact NZ-OE1 3.25Å
95	L	24.1	Very low	26	Very low	165 Å²	165	150.4 Å²	150.4	86%	0.864	80%	0.804	S	S	*	*			trans	-99.9	110.6	173.4	-150.4	83.3	0	0	0	109.1
96	E	26.3	Very low	26	Very low	134 Å²	134	149.1 Å²	149.1	63%	0.626	80%	0.799	S	S	*	*			trans	-102.2	119	170.9	-76.7	-177.9	166.7	0	0	109.9	K94 V98	K94-E96 HydrophobicContact CD-CG 4.19Å; K94-E96 VanDerWaalsContact CE-OE1 3.25Å; K94-E96 WeakPolarHBondContact CE-OE1 3.07Å; K94-E96 HydrophobicContact CG-CG 4.45Å; K94-E96 IonicContact NZ-OE1 3.31Å; K94-E96 PolarHBondContact NZ-OE1 3.25Å; E96-V98 PolarHBondContact O-N 3.38Å
97	K	25.4	Very low	25.9	Very low	208 Å²	208	150.9 Å²	150.9	90%	0.904	81%	0.805	S	S	*	*			trans	-94.1	75.5	-176	-160.3	-180	-172.9	-176	0	110.2
98	V	30.1	Very low	25.8	Very low	134 Å²	134	148.8 Å²	148.8	81%	0.812	80%	0.795	S	S	*	*			trans	-76.4	126.3	174.9	-177.7	0	0	0	0	109.6	E96	E96-V98 PolarHBondContact O-N 3.38Å
99	S	28.3	Very low	25.7	Very low	103 Å²	103	144 Å²	144	72%	0.72	79%	0.79	S	S	*	*			trans	-103	116.6	177.9	-175.1	0	0	0	0	111.4
100	T	28.6	Very low	25.7	Very low	139 Å²	139	145.5 Å²	145.5	85%	0.853	78%	0.784	S	S	*	*				173.3	158.5	126.6	31.1	0	0	0	0	110.9
101	G	26.3	Very low	25.6	Very low	85 Å²	85	145.5 Å²	145.5	88%	0.876	78%	0.782	S	S	*	*			trans	-75.8	133.2	-162.1	0	0	0	0	0	116.7
102	S	28.3	Very low	25.5	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	78%	0.784	S	S	*	*			trans	-161.9	156.5	131.5	-168.2	0	0	0	0	109.9	T104	S102-T104 PolarHBondContact O-N 3.13Å
103	A	26.7	Very low	25.5	Very low	92 Å²	92	144 Å²	144	76%	0.76	77%	0.773	S	S	*	*	S	Bend	trans	-79.2	100.4	-173.8	0	0	0	0	0	112.5
104	T	27.6	Very low	25.4	Very low	134 Å²	134	143.9 Å²	143.9	82%	0.822	78%	0.778	S	S	*	*			trans	179.1	84.7	143.3	22.3	0	0	0	0	111.3	S102 R106	S102-T104 PolarHBondContact O-N 3.13Å; T104-R106 PolarHBondContact O-N 3.13Å
105	S	24.5	Very low	25.4	Very low	127 Å²	127	142.6 Å²	142.6	89%	0.888	78%	0.775	S	S	*	*			trans	-69.5	88.4	-179.9	-57.6	0	0	0	0	112.8	V107	S105-V107 PolarHBondContact O-N 3.3Å
106	R	24.3	Very low	25.3	Very low	224 Å²	224	144 Å²	144	85%	0.845	78%	0.777	S	S	*	*			trans	-90.6	98.7	179.6	-170	176.6	-173	171.4	2.1	111	T104 Q108	T104-R106 PolarHBondContact O-N 3.13Å; R106-Q108 PolarHBondContact O-N 3.03Å; R106-Q108 VanDerWaalsContact O-N 3.12Å
107	V	24.1	Very low	25.4	Very low	127 Å²	127	145.3 Å²	145.3	77%	0.77	78%	0.783	S	S	*	*			trans	-61.4	111.3	178.6	-177	0	0	0	0	111	S105 V109	S105-V107 PolarHBondContact O-N 3.3Å; V107-V109 HydrophobicContact CG1-CG2 4.11Å
108	Q	23.9	Very low	25.6	Very low	151 Å²	151	142.4 Å²	142.4	71%	0.706	78%	0.777	S	S	*	*			trans	-94.6	93.7	172.5	-81.6	-166.6	-20.7	0	0	111.5	R106 H110	R106-Q108 PolarHBondContact O-N 3.03Å; R106-Q108 VanDerWaalsContact O-N 3.12Å; Q108-H110 PolarHBondContact O-N 3.35Å
109	V	23.4	Very low	25.4	Very low	120 Å²	120	143.7 Å²	143.7	73%	0.727	78%	0.779	S	S	*	*			trans	-72.7	104.6	169.1	-177.6	0	0	0	0	109.4	V107 R111	V107-V109 HydrophobicContact CG1-CG2 4.11Å; V109-R111 PolarHBondContact O-N 2.86Å; V109-R111 VanDerWaalsContact O-N 3.08Å
110	H	23.6	Very low	25.2	Very low	153 Å²	153	145.2 Å²	145.2	71%	0.708	78%	0.784	S	S	*	*			trans	-76.9	93	173.4	-86.2	75.9	0	0	0	110.7	Q108 V112	Q108-H110 PolarHBondContact O-N 3.35Å; H110-V112 PolarHBondContact O-N 2.89Å; H110-V112 VanDerWaalsContact O-N 3.08Å
111	R	23.3	Very low	25.4	Very low	200 Å²	200	143.8 Å²	143.8	76%	0.755	78%	0.777	S	S	*	*			trans	-78.2	86.9	178.8	-166.8	-178.4	-159.7	170.2	7.9	110.9	V109 H113	V109-R111 PolarHBondContact O-N 2.86Å; V109-R111 VanDerWaalsContact O-N 3.08Å; R111-H113 WeakPolarHBondContact CD-NE2 3.37Å; R111-H113 PolarHBondContact O-N 2.98Å; R111-H113 VanDerWaalsContact O-N 3.1Å
112	V	23.3	Very low	25.4	Very low	108 Å²	108	147 Å²	147	66%	0.655	77%	0.773	S	S	*	*			trans	-67.6	107	174.4	-177.7	0	0	0	0	109.5	H110 F114	H110-V112 PolarHBondContact O-N 2.89Å; H110-V112 VanDerWaalsContact O-N 3.08Å; V112-F114 HydrophobicContact CG1-CD2 4.46Å; V112-F114 HydrophobicContact CG1-CE2 4.06Å; V112-F114 HydrophobicContact CG1-CZ 4.18Å
113	H	23	Very low	25.2	Very low	137 Å²	137	147.6 Å²	147.6	63%	0.634	76%	0.763	S	S	*	*			trans	-84.3	111.9	169.9	-84.9	-95.9	0	0	0	109.7	R111 Q115	R111-H113 WeakPolarHBondContact CD-NE2 3.37Å; R111-H113 PolarHBondContact O-N 2.98Å; R111-H113 VanDerWaalsContact O-N 3.1Å; H113-Q115 PolarHBondContact O-N 2.85Å
114	F	22.6	Very low	25.2	Very low	195 Å²	195	152.6 Å²	152.6	86%	0.855	76%	0.763	S	S	*	*			trans	-74.9	118.4	161.2	-67.1	-82.8	0	0	0	108.2	V112	V112-F114 HydrophobicContact CG1-CD2 4.46Å; V112-F114 HydrophobicContact CG1-CE2 4.06Å; V112-F114 HydrophobicContact CG1-CZ 4.18Å
115	Q	25.5	Very low	25.3	Very low	137 Å²	137	153.9 Å²	153.9	64%	0.64	76%	0.757	S	S	*	*			trans	-120.8	91.8	-177.7	-168	174.8	13.2	0	0	109.3	H113 H117	H113-Q115 PolarHBondContact O-N 2.85Å; Q115-H117 VanDerWaalsContact CG-NE2 3.33Å; Q115-H117 WeakPolarHBondContact CG-NE2 3.46Å; Q115-H117 PolarHBondContact NE2-NE2 3.2Å; Q115-H117 PolarHBondContact O-N 2.82Å; Q115-H117 PolarHBondContact OE1-NE2 3.45Å; Q115-H117 VanDerWaalsContact OE1-NE2 3.13Å
116	E	22.2	Very low	25.5	Very low	195 Å²	195	154.3 Å²	154.3	91%	0.911	75%	0.749	S	S	*	*			trans	-63.3	125.1	169.5	-67.1	-173.8	136.1	0	0	109.6
117	H	29	Very low	25.7	Very low	162 Å²	162	147.1 Å²	147.1	75%	0.75	75%	0.745	S	S	*	*			trans	-117.9	99.1	172	-91.8	-67.4	0	0	0	110.8	Q115	Q115-H117 VanDerWaalsContact CG-NE2 3.33Å; Q115-H117 WeakPolarHBondContact CG-NE2 3.46Å; Q115-H117 PolarHBondContact NE2-NE2 3.2Å; Q115-H117 PolarHBondContact O-N 2.82Å; Q115-H117 PolarHBondContact OE1-NE2 3.45Å; Q115-H117 VanDerWaalsContact OE1-NE2 3.13Å
118	N	29.7	Very low	26	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	75%	0.752	S	S	*	*			trans	31.9	119.8	147.3	-63.5	-44.3	0	0	0	120
119	L	24.5	Very low	26.2	Very low	161 Å²	161	148.6 Å²	148.6	84%	0.843	76%	0.759	S	S	*	*			trans	-54.7	172.2	159.8	-64.5	138.5	0	0	0	113.6
120	T	25.8	Very low	26.6	Very low	135 Å²	135	154 Å²	154	83%	0.828	77%	0.766	S	S	*	*				154.7	170	119.2	58.4	0	0	0	0	111
121	P	31	Very low	26.6	Very low	109 Å²	109	152.1 Å²	152.1	71%	0.708	77%	0.77	S	S	*	*				-137.2	-169	-111.1	31.7	-4.4	0	0	0	114.6
122	I	26.5	Very low	26.8	Very low	153 Å²	153	151.9 Å²	151.9	79%	0.785	78%	0.778	S	S	*	*			trans	176.4	109.6	143.7	-95.7	153.6	0	0	0	108.4
123	M	25.7	Very low	27	Very low	132 Å²	132	152.5 Å²	152.5	65%	0.65	79%	0.787	S	S	*	*				68	137.9	92.3	-51.9	-125.8	108.8	0	0	114.3
124	R	26.2	Very low	27.3	Very low	198 Å²	198	152.2 Å²	152.2	75%	0.747	80%	0.795	S	S	*	*			cis	-169.1	166.8	9.9	-134.2	173.9	-172.2	141.8	3.4	114.4
125	K	29.4	Very low	27.5	Very low	161 Å²	161	148.4 Å²	148.4	70%	0.7	79%	0.792	S	S	*	*			trans	74.5	145.5	156.1	-68.4	-179.2	151.5	-83.1	0	118
126	D	28.8	Very low	27.6	Very low	135 Å²	135	151.6 Å²	151.6	72%	0.722	80%	0.804	S	S	*	*			cis	-155.3	153.2	-13	-98.4	-29	0	0	0	108.7
127	G	29.4	Very low	27.8	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	80%	0.795	S	S	*	*			trans	158.2	89.7	173.2	0	0	0	0	0	115.7
128	T	29	Very low	27.7	Very low	149 Å²	149	146.1 Å²	146.1	91%	0.914	80%	0.798	S	S	*	*			trans	-47.7	137	177.6	49.4	0	0	0	0	115.2
129	N	28.5	Very low	27.5	Very low	159 Å²	159	148.7 Å²	148.7	85%	0.85	80%	0.803	S	S	*	*			trans	-140.9	165.4	164	-145.7	-19.3	0	0	0	112.6
130	R	31	Very low	27.8	Very low	234 Å²	234	148.9 Å²	148.9	88%	0.883	80%	0.799	S	S	*	*			trans	-73.2	149.5	-162.8	-69.5	171.8	168.5	158.8	-6	115.1
131	S	24.7	Very low	28	Very low	113 Å²	113	150 Å²	150	79%	0.79	80%	0.8	S	S	*	*			trans	-80.1	109.8	160.3	54.7	0	0	0	0	111.6
132	Q	26.6	Very low	27.8	Very low	196 Å²	196	150.7 Å²	150.7	92%	0.916	80%	0.796	S	S	*	*			trans	177.7	109.9	145.1	-103.6	173.5	14.2	0	0	109.8
133	S	27.4	Very low	27.9	Very low	121 Å²	121	149.7 Å²	149.7	85%	0.846	79%	0.793	S	S	*	*			trans	-154.6	109.6	169.1	57.5	0	0	0	0	110.1
134	T	29.1	Very low	28.1	Very low	130 Å²	130	148.5 Å²	148.5	80%	0.798	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-72.5	158.2	169.6	42.3	0	0	0	0	111.1	F136	T134-F136 PolarHBondContact O-N 3.33Å
135	S	27.1	Very low	28.2	Very low	115 Å²	115	142.7 Å²	142.7	80%	0.804	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59.7	129.7	-179.4	50.5	0	0	0	0	113.1
136	F	27.2	Very low	28.3	Very low	204 Å²	204	144.5 Å²	144.5	90%	0.895	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-87.8	140.4	171.3	-104.3	-99.5	0	0	0	111.7	T134	T134-F136 PolarHBondContact O-N 3.33Å
137	T	26.5	Very low	28.4	Very low	118 Å²	118	143.9 Å²	143.9	72%	0.724	79%	0.79	S	S	*	*			trans	-120.3	130.9	169	47.7	0	0	0	0	109.7	F139	T137-F139 PolarHBondContact O-N 3.03Å; T137-F139 VanDerWaalsContact O-N 3.14Å
138	P	28.3	Very low	28.6	Very low	124 Å²	124	145.3 Å²	145.3	81%	0.805	78%	0.78	S	S	*	*			trans	-87.5	81.7	-174.9	34	-34.8	0	0	0	112.3
139	F	25.7	Very low	28.8	Very low	201 Å²	201	147.7 Å²	147.7	88%	0.882	77%	0.772	S	S	*	*			trans	-146.8	94.9	163.8	-91	-70.8	0	0	0	111.5	T137	T137-F139 PolarHBondContact O-N 3.03Å; T137-F139 VanDerWaalsContact O-N 3.14Å
140	Q	29.9	Very low	29	Very low	165 Å²	165	146.6 Å²	146.6	77%	0.771	76%	0.762	S	S	*	*			trans	-144.8	81	167.3	-82.1	-163.1	-25.6	0	0	111.3	I142	Q140-I142 HydrophobicContact CB-CD1 4.44Å; Q140-I142 HydrophobicContact CB-CG1 4.16Å; Q140-I142 PolarHBondContact O-N 3.11Å
141	N	30	Very low	29	Very low	160 Å²	160	141.9 Å²	141.9	86%	0.856	75%	0.748	S	S	*	*			trans	-81.9	92	156.7	-87.9	-5	0	0	0	108.3	D143	N141-D143 PolarHBondContact O-N 3.21Å
142	I	27.6	Very low	29.3	Very low	122 Å²	122	142.7 Å²	142.7	63%	0.626	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	84	177.3	-56.1	176.9	0	0	0	109.1	Q140	Q140-I142 HydrophobicContact CB-CD1 4.44Å; Q140-I142 HydrophobicContact CB-CG1 4.16Å; Q140-I142 PolarHBondContact O-N 3.11Å
143	D	28.4	Very low	29.6	Very low	132 Å²	132	139.3 Å²	139.3	71%	0.706	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.1	-29.2	161.3	-95.9	-43.4	0	0	0	113.2	N141 A145	N141-D143 PolarHBondContact O-N 3.21Å; D143-A145 PolarHBondContact O-N 3.27Å
144	S	28.8	Very low	29.7	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-8.6	179.2	-46.1	0	0	0	0	115.3
145	A	28.8	Very low	29.7	Very low	77 Å²	77	142.3 Å²	142.3	64%	0.636	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-2.6	-169.8	0	0	0	0	0	115.5	D143	D143-A145 PolarHBondContact O-N 3.27Å
146	R	31.7	Very low	29.8	Very low	198 Å²	198	145.1 Å²	145.1	75%	0.747	72%	0.72	S	S	*	*	S	Bend	trans	-88.3	-37.3	-178.9	-86.5	-179.4	167.3	154.5	-4	114.7	L148 R149	R146-L148 VanDerWaalsContact C-N 3.27Å; R146-L148 PolarHBondContact O-N 3.07Å; R146-R149 PolarHBondContact O-N 2.85Å
147	L	31.9	Very low	29.8	Very low	122 Å²	122	143.7 Å²	143.7	64%	0.639	72%	0.716	S	S	*	*	H	α-helix	trans	-62.4	-33.4	-179	-76	164.4	0	0	0	113	R149 Q150 F151	L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 3.32Å; L147-Q150 PolarHBondContact O-N 3.2Å; L147-F151 HydrophobicContact CD2-CE2 4.42Å; L147-F151 PolarHBondContact O-N 2.74Å
148	L	33.2	Very low	29.7	Very low	105 Å²	105	147.5 Å²	147.5	55%	0.55	72%	0.722	S	S	.	*	H	α-helix	trans	-69.1	-20.9	-175.1	-120.4	157.5	0	0	0	114.3	R146	R146-L148 VanDerWaalsContact C-N 3.27Å; R146-L148 PolarHBondContact O-N 3.07Å
149	R	32.3	Very low	29.5	Very low	198 Å²	198	148.2 Å²	148.2	75%	0.747	72%	0.72	S	S	*	*	H	α-helix	trans	-86.9	-39	171.4	-78.1	-165	177.7	-164.4	-0.5	113.4	R146 L147 F151 Q152 D153	R146-R149 PolarHBondContact O-N 2.85Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 3.32Å; R149-F151 VanDerWaalsContact C-N 3.31Å; R149-F151 PolarHBondContact O-N 2.77Å; R149-Q152 PolarHBondContact O-N 2.87Å; R149-D153 PolarHBondContact O-N 2.77Å
150	Q	33.1	Very low	29.5	Very low	136 Å²	136	148 Å²	148	64%	0.636	71%	0.714	S	S	*	*	H	α-helix	trans	-69.5	-26.7	-178.1	-74.6	-175.3	-81.6	0	0	113.6	L147 Q154	L147-Q150 PolarHBondContact O-N 3.2Å; Q150-Q154 WeakPolarHBondContact O-CG 2.85Å
151	F	31.2	Very low	29.4	Very low	136 Å²	136	147.2 Å²	147.2	60%	0.596	72%	0.715	S	S	*	*	H	α-helix	trans	-83.6	-29.7	174.1	-86.5	-84.7	0	0	0	114.4	L147 R149 Q154 Q155	L147-F151 HydrophobicContact CD2-CE2 4.42Å; L147-F151 PolarHBondContact O-N 2.74Å; R149-F151 VanDerWaalsContact C-N 3.31Å; R149-F151 PolarHBondContact O-N 2.77Å; F151-Q154 PolarHBondContact O-N 2.87Å; F151-Q155 WeakPolarHBondContact O-CG 3.38Å; F151-Q155 PolarHBondContact O-N 2.98Å
152	Q	31.1	Very low	29.1	Very low	130 Å²	130	146.9 Å²	146.9	61%	0.607	71%	0.713	S	S	*	*	H	α-helix	trans	-70.4	-41.5	175.6	-83.1	-172.5	-42.9	0	0	112.1	R149 Q154 Q155	R149-Q152 PolarHBondContact O-N 2.87Å; Q152-Q154 PolarHBondContact O-N 3.13Å; Q152-Q155 PolarHBondContact O-N 3.38Å
153	D	31.4	Very low	29.1	Very low	124 Å²	124	147 Å²	147	66%	0.663	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-11.4	178.6	-66.9	-23.4	0	0	0	113.3	R149	R149-D153 PolarHBondContact O-N 2.77Å
154	Q	29.6	Very low	28.9	Very low	147 Å²	147	145 Å²	145	69%	0.687	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-6.6	173.1	-72	-169.2	-8.7	0	0	114.5	Q150 F151 Q152	Q150-Q154 WeakPolarHBondContact O-CG 2.85Å; F151-Q154 PolarHBondContact O-N 2.87Å; Q152-Q154 PolarHBondContact O-N 3.13Å
155	Q	29.2	Very low	28.8	Very low	167 Å²	167	145.9 Å²	145.9	78%	0.78	71%	0.712	S	S	*	*	S	Bend	trans	-92.3	-6.5	175.3	-77.9	-88.8	-45.1	0	0	113.3	F151 Q152	F151-Q155 WeakPolarHBondContact O-CG 3.38Å; F151-Q155 PolarHBondContact O-N 2.98Å; Q152-Q155 PolarHBondContact O-N 3.38Å
156	Q	29.4	Very low	28.6	Very low	174 Å²	174	152.9 Å²	152.9	81%	0.813	72%	0.722	S	S	*	*	S	Bend	trans	-99.4	11.3	177.2	-66.4	-164.4	-12.2	0	0	114.8
157	Q	26.7	Very low	28.3	Very low	174 Å²	174	150.2 Å²	150.2	81%	0.813	72%	0.722	S	S	*	*	S	Bend	trans	-130.6	64.8	173.3	-73.9	-165.6	-24.8	0	0	112.1
158	K	24.8	Very low	28	Very low	198 Å²	198	151.6 Å²	151.6	86%	0.861	73%	0.729	S	S	*	*			trans	-160.3	68.2	167.6	-119.1	167.8	-170.9	177.2	0	113.6
159	D	25.3	Very low	27.6	Very low	140 Å²	140	151 Å²	151	75%	0.749	73%	0.734	S	S	*	*			trans	-142.3	151.3	160.7	-112.6	-39.3	0	0	0	110
160	Y	26.2	Very low	27.2	Very low	196 Å²	196	147.2 Å²	147.2	77%	0.769	73%	0.732	S	S	*	*			trans	60.1	98.8	-178.7	-52.1	-74.4	0	0	0	117.6
161	N	26.2	Very low	26.9	Very low	148 Å²	148	148.6 Å²	148.6	79%	0.791	74%	0.739	S	S	*	*				179	111.6	97.7	-93.2	-63.9	0	0	0	113.3
162	L	24.6	Very low	26.6	Very low	153 Å²	153	150.7 Å²	150.7	80%	0.801	75%	0.75	S	S	*	*				-98	150.8	119.6	-89.1	70.2	0	0	0	105.4
163	D	26.5	Very low	26.3	Very low	124 Å²	124	156.4 Å²	156.4	66%	0.663	77%	0.766	S	S	*	*			cis	-153.3	156.1	27.9	-140.9	-32.4	0	0	0	115.2
164	S	26	Very low	25.9	Very low	92 Å²	92	155.8 Å²	155.8	64%	0.643	77%	0.771	S	S	*	*			trans	42.5	96	144.6	-71.5	0	0	0	0	123.8
165	T	24.6	Very low	25.9	Very low	125 Å²	125	157.9 Å²	157.9	77%	0.767	78%	0.778	S	S	*	*				77.2	143.3	125.2	-17.6	0	0	0	0	122.9
166	R	26.6	Very low	25.8	Very low	223 Å²	223	154.2 Å²	154.2	84%	0.842	77%	0.771	S	S	*	*			trans	79.7	138.8	162.1	-63.1	-172.8	177.4	-177.7	-0.2	117.1
167	L	24	Very low	25.7	Very low	142 Å²	142	152.2 Å²	152.2	74%	0.743	77%	0.766	S	S	*	*			cis	-166.8	163.3	-18	-124.4	174.2	0	0	0	109.4
168	L	26.7	Very low	25.8	Very low	152 Å²	152	149.4 Å²	149.4	80%	0.796	76%	0.761	S	S	*	*			trans	71.1	153.8	169.9	-56.4	167.5	0	0	0	117.5
169	S	23.5	Very low	25.9	Very low	93 Å²	93	146 Å²	146	65%	0.65	75%	0.752	S	S	*	*				-174.4	170.5	-52.3	46.7	0	0	0	0	112.1
170	V	25.4	Very low	26.1	Very low	117 Å²	117	147.7 Å²	147.7	71%	0.709	76%	0.755	S	S	*	*			trans	93.8	101.4	156	-175.6	0	0	0	0	120.6
171	Q	26.2	Very low	26	Very low	165 Å²	165	142.8 Å²	142.8	77%	0.771	75%	0.75	S	S	*	*			trans	68.9	108.8	135	-64.3	175	-9.7	0	0	125.1
172	H	23.7	Very low	26	Very low	180 Å²	180	143 Å²	143	83%	0.833	75%	0.749	S	S	*	*				31.1	131.4	119.3	-62.1	-78.3	0	0	0	122.8
173	R	25.8	Very low	26	Very low	251 Å²	251	140.4 Å²	140.4	95%	0.947	74%	0.744	S	S	*	*				-164.6	168.8	108	-110.9	175.7	-178.7	-176.6	1.8	113.9
174	S	23.6	Very low	26	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	75%	0.745	S	S	*	*			trans	-147.1	157	-172.2	55.8	0	0	0	0	113.7
175	K	29.6	Very low	25.9	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.835	75%	0.753	S	S	*	*			trans	155.8	138.3	163.4	-88.5	165.3	-178.1	-168.2	0	107.3
176	S	26.1	Very low	26	Very low	89 Å²	89	139.6 Å²	139.6	62%	0.622	75%	0.753	S	S	*	*			cis	71.5	133.9	45.5	107.8	0	0	0	0	112
177	D	27.2	Very low	25.9	Very low	133 Å²	133	137.9 Å²	137.9	71%	0.711	75%	0.752	S	S	*	*			cis	-158.7	173.5	19.7	-97.3	-52.8	0	0	0	115
178	T	29.1	Very low	25.9	Very low	115 Å²	115	140.8 Å²	140.8	71%	0.706	76%	0.759	S	S	*	*			trans	78.2	123.3	147.5	42.9	0	0	0	0	125.8
179	N	27	Very low	25.8	Very low	126 Å²	126	138.3 Å²	138.3	67%	0.674	75%	0.75	S	S	*	*				87.4	118.9	126.3	-68.9	-14	0	0	0	125.7
180	Q	28.8	Very low	25.8	Very low	175 Å²	175	141 Å²	141	82%	0.818	76%	0.756	S	S	*	*			trans	65.8	160.5	133.9	-63	176.3	0.2	0	0	121.2
181	S	24	Very low	25.8	Very low	93 Å²	93	146.6 Å²	146.6	65%	0.65	77%	0.765	S	S	*	*				-169.6	163.5	-50.5	58.2	0	0	0	0	111.1
182	I	26.5	Very low	25.8	Very low	152 Å²	152	144.2 Å²	144.2	78%	0.779	76%	0.762	S	S	*	*			trans	84.3	107.9	158.9	-61.3	165.2	0	0	0	120.9
183	S	25.1	Very low	26.1	Very low	99 Å²	99	139.7 Å²	139.7	69%	0.692	76%	0.755	S	S	*	*			trans	51.6	133.4	140.4	77.6	0	0	0	0	127.5
184	S	26.5	Very low	26.2	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	75%	0.745	S	S	*	*				80.7	105.4	129.4	65.2	0	0	0	0	124.4
185	S	24.7	Very low	26.6	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	75%	0.751	S	S	*	*				75.2	124.6	122.2	-57.5	0	0	0	0	124.4
186	S	25	Very low	26.4	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	75%	0.751	S	S	*	*			trans	91.6	99.4	139.5	-64.2	0	0	0	0	123.3
187	K	25.8	Very low	26.5	Very low	186 Å²	186	137.7 Å²	137.7	81%	0.809	75%	0.751	S	S	*	*			trans	47.4	116.7	130.3	-67.9	-177.8	174.8	179.3	0	122.4	V189	K187-V189 HydrophobicContact CB-CG2 4.46Å
188	F	23.7	Very low	26.5	Very low	204 Å²	204	137.6 Å²	137.6	90%	0.895	75%	0.751	S	S	*	*			trans	-143.1	141.6	135.2	-95.2	-88.3	0	0	0	108.3
189	V	24.5	Very low	26.6	Very low	100 Å²	100	138.7 Å²	138.7	61%	0.606	75%	0.752	S	S	*	*			cis	107.3	90	0.6	-170.6	0	0	0	0	117.2	K187	K187-V189 HydrophobicContact CB-CG2 4.46Å
190	L	23.9	Very low	26.7	Very low	150 Å²	150	137.3 Å²	137.3	79%	0.785	75%	0.748	S	S	*	*			trans	57.1	130.2	143.5	-62.3	173.8	0	0	0	123.3
191	R	25.4	Very low	26.7	Very low	234 Å²	234	136 Å²	136	88%	0.883	75%	0.747	S	S	*	*				168.5	135.8	118.2	-87.8	-173.5	167.8	168.3	-2.9	109
192	T	26.1	Very low	26.8	Very low	115 Å²	115	137 Å²	137	71%	0.706	75%	0.753	S	S	*	*			cis	95.7	112.4	26.1	66	0	0	0	0	115.7
193	A	29.6	Very low	26.7	Very low	84 Å²	84	137.3 Å²	137.3	69%	0.694	76%	0.757	S	S	*	*			trans	166.5	151.4	152.4	0	0	0	0	0	109.2
194	D	28	Very low	26.8	Very low	138 Å²	138	137.3 Å²	137.3	74%	0.738	76%	0.763	S	S	*	*			cis	-163.1	149.9	-22.1	-97.5	-31	0	0	0	109.3
195	H	31.2	Very low	26.5	Very low	193 Å²	193	140.3 Å²	140.3	89%	0.894	77%	0.769	S	S	*	*			trans	-173.5	147.6	130.9	-101.6	-63.9	0	0	0	111.3
196	Q	26.6	Very low	26.6	Very low	179 Å²	179	142.7 Å²	142.7	84%	0.836	77%	0.771	S	S	*	*			trans	-105.8	178.2	-173.2	-58.7	165.9	-68.5	0	0	109.5
197	S	27.9	Very low	26.5	Very low	90 Å²	90	146 Å²	146	63%	0.629	78%	0.777	S	S	*	*			cis	-156.8	176.4	22.1	49.9	0	0	0	0	114
198	D	28.2	Very low	26.4	Very low	132 Å²	132	140.2 Å²	140.2	71%	0.706	77%	0.77	S	S	*	*			trans	79.2	148	156.1	-58.6	-47.3	0	0	0	119.3
199	L	30.4	Very low	26.5	Very low	137 Å²	137	138.7 Å²	138.7	72%	0.717	77%	0.771	S	S	*	*			cis	-154.6	143.1	-4.1	-121.8	170.6	0	0	0	112.4
200	T	28.9	Very low	26.5	Very low	98 Å²	98	140.2 Å²	140.2	60%	0.601	78%	0.781	S	S	*	*			trans	42.6	124.6	154.7	45.9	0	0	0	0	124
201	N	28.2	Very low	26.6	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	78%	0.781	S	S	*	*			trans	63.6	149.6	130.3	-49.3	-6.5	0	0	0	119.6
202	S	27.6	Very low	26.6	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	77%	0.774	S	S	*	*			cis	-148.4	164.5	12	-36.7	0	0	0	0	111.7
203	D	23.8	Very low	26.4	Very low	160 Å²	160	135.6 Å²	135.6	86%	0.856	78%	0.779	S	S	*	*			trans	-68.1	161.7	164.1	-52.7	-88.9	0	0	0	113.3
204	A	26.2	Very low	26.3	Very low	98 Å²	98	139.9 Å²	139.9	81%	0.81	78%	0.782	S	S	*	*				170.5	151.2	113.7	0	0	0	0	0	114.7
205	I	22.1	Very low	26	Very low	163 Å²	163	140 Å²	140	84%	0.836	78%	0.778	S	S	*	*			trans	-88.8	144.9	164.8	-63.4	158.9	0	0	0	108.9
206	I	26.3	Very low	25.7	Very low	165 Å²	165	141.8 Å²	141.8	85%	0.846	78%	0.778	S	S	*	*			trans	-160.8	150.1	152.8	-106.2	148.5	0	0	0	110.9
207	M	22.9	Very low	25.5	Very low	180 Å²	180	138.1 Å²	138.1	89%	0.887	77%	0.773	S	S	*	*			trans	-103.5	140.7	171.6	-73.4	-164.4	-62.6	0	0	112.1
208	G	23.1	Very low	25.4	Very low	65 Å²	65	141.7 Å²	141.7	67%	0.67	78%	0.777	S	S	*	*			trans	87.8	136	142.5	0	0	0	0	0	118.3
209	N	26.2	Very low	25.1	Very low	171 Å²	171	142 Å²	142	91%	0.914	77%	0.774	S	S	*	*				-165.6	156	122.3	-102.5	-22.1	0	0	0	112
210	T	24.1	Very low	24.8	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	77%	0.772	S	S	*	*			trans	-125	173.7	168.2	48.1	0	0	0	0	109.3
211	A	26.9	Very low	24.6	Very low	95 Å²	95	141.7 Å²	141.7	79%	0.785	78%	0.782	S	S	*	*			trans	74.2	155.8	167.4	0	0	0	0	0	119
212	V	24	Very low	24.6	Very low	123 Å²	123	140.7 Å²	140.7	75%	0.745	78%	0.781	S	S	*	*			cis	-166.4	151.4	-42.2	99	0	0	0	0	111.1
213	K	22.7	Very low	24.6	Very low	184 Å²	184	140 Å²	140	80%	0.8	78%	0.776	S	S	*	*			trans	48.2	129.2	161.7	-67.1	175.1	-179.7	-178.7	0	120.5
214	K	26.9	Very low	24.7	Very low	174 Å²	174	137.4 Å²	137.4	76%	0.757	77%	0.771	S	S	*	*				-168	128.8	93	-103.3	-164.8	173.7	-126.1	0	116.1
215	E	22.2	Very low	24.6	Very low	139 Å²	139	139.8 Å²	139.8	65%	0.65	77%	0.769	S	S	*	*			trans	26.8	121.7	130.6	-57.2	170.7	135.1	0	0	120.5
216	Y	24.8	Very low	24.7	Very low	232 Å²	232	137.9 Å²	137.9	91%	0.91	77%	0.77	S	S	*	*				-156.3	179.7	107	-114.2	-76.8	0	0	0	110.9
217	S	22.2	Very low	24.7	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	77%	0.768	S	S	*	*			trans	-120.4	170.1	-154.1	-47.5	0	0	0	0	115.5
218	K	25.2	Very low	24.8	Very low	165 Å²	165	131.8 Å²	131.8	72%	0.717	76%	0.756	S	S	*	*			trans	92.9	136.5	155.6	-78.6	174.9	151	-87.8	0	120.9
219	E	23.7	Very low	25	Very low	137 Å²	137	136.2 Å²	136.2	64%	0.64	76%	0.763	S	S	*	*			trans	64.3	92.1	143	-83	120.7	-126.5	0	0	121.8
220	S	22.6	Very low	25.1	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	76%	0.758	S	S	*	*				51.1	117	122.7	62.2	0	0	0	0	120.9
221	T	26.1	Very low	25.2	Very low	132 Å²	132	136.1 Å²	136.1	81%	0.81	76%	0.758	S	S	*	*				-171	166.9	97.9	23	0	0	0	0	112.1
222	T	27.5	Very low	25.3	Very low	126 Å²	126	140.8 Å²	140.8	77%	0.773	76%	0.755	S	S	*	*			trans	-3.8	143.3	159.9	53.4	0	0	0	0	119.4
223	S	27.9	Very low	25.5	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	75%	0.753	S	S	*	*			cis	173.4	146.9	-8.5	48	0	0	0	0	108.9
224	S	25.5	Very low	25.6	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	75%	0.75	S	S	*	*			trans	54.2	133.6	136.7	-60	0	0	0	0	121.3
225	L	24.6	Very low	25.6	Very low	148 Å²	148	135 Å²	135	78%	0.775	74%	0.739	S	S	*	*			cis	-146.9	145.9	0	-58.9	90.1	0	0	0	110.6
226	S	24.5	Very low	25.8	Very low	123 Å²	123	136.6 Å²	136.6	86%	0.86	74%	0.744	S	S	*	*	S	Bend	trans	-160.1	48	155.8	69.7	0	0	0	0	113.2
227	S	24.9	Very low	26.1	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	73%	0.733	S	S	*	*			trans	-146.5	51	-177	67.3	0	0	0	0	113.5
228	V	26.2	Very low	26.2	Very low	103 Å²	103	133.4 Å²	133.4	62%	0.624	73%	0.733	S	S	*	*			trans	-135	104.3	175.3	-178.7	0	0	0	0	109.3
229	L	26.6	Very low	26.2	Very low	157 Å²	157	133.4 Å²	133.4	82%	0.822	74%	0.736	S	S	*	*	S	Bend	trans	-169.3	-36.3	154.1	-110.2	161.4	0	0	0	113.3
230	N	27.6	Very low	26.4	Very low	151 Å²	151	133.1 Å²	133.1	81%	0.807	74%	0.743	S	S	*	*	S	Bend	trans	-95.2	-8.7	-172.7	-73.7	4.1	0	0	0	116.6
231	N	27.7	Very low	26.5	Very low	152 Å²	152	133.9 Å²	133.9	81%	0.813	75%	0.749	S	S	*	*	S	Bend	trans	-112.6	55.6	-177.1	-70.7	8.7	0	0	0	112.1
232	R	27.3	Very low	26.4	Very low	193 Å²	193	134.5 Å²	134.5	73%	0.728	75%	0.747	S	S	*	*	S	Bend	trans	-147.8	15.4	-178	-128.3	179.7	-172	-164	-0.2	117.6
233	L	28.1	Very low	26.3	Very low	135 Å²	135	135.9 Å²	135.9	71%	0.707	75%	0.75	S	S	*	*	S	Bend	trans	-103.8	-44	175.1	-147.5	68.9	0	0	0	112.4	T235	L233-T235 VanDerWaalsContact C-N 3.32Å; L233-T235 PolarHBondContact O-N 3.03Å
234	D	26.3	Very low	26.3	Very low	139 Å²	139	137.2 Å²	137.2	74%	0.743	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-77.5	-12	-178.1	-55.6	-68.5	0	0	0	114.7
235	T	26.9	Very low	26.3	Very low	85 Å²	85	137.6 Å²	137.6	52%	0.521	75%	0.748	S	S	.	*	G	3₁₀ helix	trans	-87.7	-0.9	-173.6	-18.1	0	0	0	0	114.4	L233	L233-T235 VanDerWaalsContact C-N 3.32Å; L233-T235 PolarHBondContact O-N 3.03Å
236	F	26.8	Very low	26.4	Very low	173 Å²	173	138.1 Å²	138.1	76%	0.759	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-99.4	-2.8	-177.3	-112.4	-82.2	0	0	0	114.9
237	I	29.4	Very low	26.7	Very low	131 Å²	131	141.7 Å²	141.7	67%	0.672	75%	0.751	S	S	*	*	S	Bend	trans	-94.5	-22.8	179	-65.7	176.6	0	0	0	112
238	N	24.7	Very low	27.1	Very low	135 Å²	135	143 Å²	143	72%	0.722	75%	0.748	S	S	*	*	S	Bend	trans	-100	18.9	-172.7	-70.4	-8.5	0	0	0	115.1
239	H	25.1	Very low	27.6	Very low	165 Å²	165	142.5 Å²	142.5	76%	0.764	74%	0.737	S	S	*	*	S	Bend	trans	-130.6	34.3	179.8	-82	-42.1	0	0	0	114.7
240	T	29.1	Very low	27.8	Very low	131 Å²	131	142.8 Å²	142.8	80%	0.804	74%	0.74	S	S	*	*	S	Bend	trans	-134.6	47.9	165.7	58.3	0	0	0	0	112.1
241	S	24.4	Very low	28.1	Very low	114 Å²	114	143 Å²	143	80%	0.797	74%	0.741	S	S	*	*	S	Bend	trans	-149.3	51.6	174.5	-171.7	0	0	0	0	111.8
242	D	23.3	Very low	28.8	Very low	146 Å²	146	138.3 Å²	138.3	78%	0.781	72%	0.715	S	S	*	*			trans	-147.1	148.6	169.3	-114.9	-39.1	0	0	0	111
243	N	25.7	Very low	29.5	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	71%	0.711	S	S	*	*	S	Bend	trans	58.5	70.2	-177.2	-66.3	-47.9	0	0	0	116.9
244	V	27.4	Very low	30.3	Very low	125 Å²	125	132 Å²	132	76%	0.758	70%	0.701	S	S	*	*	S	Bend		-171	-43.4	119.4	143	0	0	0	0	111.5	N246	V244-N246 VanDerWaalsContact C-N 3.32Å; V244-N246 PolarHBondContact O-N 3.43Å
245	D	25.6	Very low	31	Very low	115 Å²	115	133.2 Å²	133.2	62%	0.615	70%	0.699	S	S	*	*	S	Bend	trans	-85	33.9	-162.3	-69.9	-57.6	0	0	0	117.1	F249	D245-F249 HydrophobicContact CB-CD2 4.2Å; D245-F249 HydrophobicContact CB-CE2 4.07Å; D245-F249 WeakPolarHBondContact OD1-CE2 3.42Å
246	N	27.6	Very low	32.1	Very low	159 Å²	159	132 Å²	132	85%	0.85	69%	0.694	S	S	*	*	S	Bend	trans	-110.3	29.1	-178.3	-112.5	-29.1	0	0	0	114.3	V244	V244-N246 VanDerWaalsContact C-N 3.32Å; V244-N246 PolarHBondContact O-N 3.43Å
247	K	30	Very low	33.2	Very low	197 Å²	197	129.9 Å²	129.9	86%	0.857	69%	0.691	S	S	*	*	S	Bend	trans	-145.2	7	-178.5	-135.9	174.5	-174.8	176.6	0	117.9
248	I	33.4	Very low	34.3	Very low	143 Å²	143	130.6 Å²	130.6	73%	0.733	69%	0.691	S	S	*	*	S	Bend	trans	-133	-13.8	-177.5	-66	-178.6	0	0	0	113.4
249	F	35.8	Very low	36	Very low	92 Å²	92	126 Å²	126	40%	0.404	67%	0.667	S	S	.	*	S	Bend	trans	-96.5	-3.7	-160.3	-84.3	-79.5	0	0	0	118.4	D245	D245-F249 HydrophobicContact CB-CD2 4.2Å; D245-F249 HydrophobicContact CB-CE2 4.07Å; D245-F249 WeakPolarHBondContact OD1-CE2 3.42Å
250	N	32.3	Very low	38	Very low	162 Å²	162	119 Å²	119	87%	0.866	63%	0.634	S	S	*	*	S	Bend	trans	-91.6	-12.1	-173.8	-80.1	5.8	0	0	0	116.1
251	D	34.1	Very low	39.8	Very low	156 Å²	156	118.1 Å²	118.1	83%	0.834	62%	0.621	S	S	*	*			trans	-110.7	71.1	-176	-74.7	-59.4	0	0	0	112.9
252	I	41.4	Very low	42.3	Very low	54 Å²	54	116 Å²	116	28%	0.277	60%	0.603	S	S	.	*			trans	-128.1	77.9	167.2	-50	-176.8	0	0	0	111.2	P254 N259	I252-P254 VanDerWaalsContact O-CD 3.31Å; I252-P254 WeakPolarHBondContact O-CD 3.5Å; I252-N259 HydrophobicContact CG2-CB 4.25Å
253	N	42.8	Very low	44.8	Very low	118 Å²	118	109.5 Å²	109.5	63%	0.631	57%	0.568	S	S	*	*			trans	-31.3	99.1	154.5	168.5	45.5	0	0	0	114.6	K255 N259	N253-K255 PolarHBondContact O-N 3.3Å; N253-K255 PolarHBondContact OD1-N 3.4Å; N253-N259 PolarHBondContact O-ND2 2.99Å
254	P	43.7	Very low	47	Very low	78 Å²	78	103.3 Å²	103.3	51%	0.506	53%	0.534	S	S	.	.	S	Bend	trans	-65.4	-7.3	-173.4	24.2	-33.6	0	0	0	115.9	I252	I252-P254 VanDerWaalsContact O-CD 3.31Å; I252-P254 WeakPolarHBondContact O-CD 3.5Å
255	K	42.7	Very low	49.4	Very low	163 Å²	163	103.1 Å²	103.1	71%	0.709	53%	0.525	S	S	*	.	S	Bend	trans	-102.2	57.5	-175.9	-62.6	-167.9	171.9	-164.6	0	114.9	N253	N253-K255 PolarHBondContact O-N 3.3Å; N253-K255 PolarHBondContact OD1-N 3.4Å
256	S	49.7	Very low	52.1	Low	59 Å²	59	101 Å²	101	41%	0.413	51%	0.51	S	S	.	.			trans	-155.4	136.5	165.7	75.7	0	0	0	0	113.6	H258 N259	S256-H258 PolarHBondContact O-N 3.21Å; S256-H258 VanDerWaalsContact O-N 3.12Å; S256-N259 WeakPolarHBondContact O-CB 3.37Å; S256-N259 PolarHBondContact O-N 3.27Å; S256-N259 PolarHBondContact OG-ND2 3.36Å
257	N	48.5	Very low	54.6	Low	130 Å²	130	93.4 Å²	93.4	70%	0.695	47%	0.47	S	S	*	.	H	α-helix	trans	-61.2	-24.4	-175.7	-67.5	11.6	0	0	0	114.1	N259 F260	N257-N259 PolarHBondContact O-N 3.19Å; N257-F260 PolarHBondContact O-N 3.01Å
258	H	52.3	Low	56.7	Low	146 Å²	146	86.5 Å²	86.5	68%	0.676	44%	0.44	S	S	*	.	H	α-helix	trans	-64.4	-28.3	174	-110.5	0.2	0	0	0	112.6	S256 V262	S256-H258 PolarHBondContact O-N 3.21Å; S256-H258 VanDerWaalsContact O-N 3.12Å; H258-V262 WeakPolarHBondContact O-CG2 3.22Å; H258-V262 PolarHBondContact O-N 3.15Å
259	N	61.3	Low	59	Low	38 Å²	38	82.5 Å²	82.5	20%	0.203	43%	0.425	C	S	.	.	H	α-helix	trans	-72.9	-31	177.9	-70	-24.4	0	0	0	112.3	I252 N253 S256 N257 V262 I263	I252-N259 HydrophobicContact CG2-CB 4.25Å; N253-N259 PolarHBondContact O-ND2 2.99Å; S256-N259 WeakPolarHBondContact O-CB 3.37Å; S256-N259 PolarHBondContact O-N 3.27Å; S256-N259 PolarHBondContact OG-ND2 3.36Å; N257-N259 PolarHBondContact O-N 3.19Å; N259-V262 PolarHBondContact O-N 3.13Å; N259-I263 WeakPolarHBondContact O-CD1 3.48Å; N259-I263 VanDerWaalsContact O-CG1 3.27Å; N259-I263 WeakPolarHBondContact O-CG1 3.44Å; N259-I263 PolarHBondContact O-N 3.45Å
260	F	66.2	Low	61.2	Low	18 Å²	18	79 Å²	79	8%	0.079	41%	0.41	C	S	.	.	H	α-helix	trans	-64	-46.9	176.9	-177.5	-100.2	0	0	0	111.9	N257 V262 I263 E264 A345 A348 C349 D354 L358	N257-F260 PolarHBondContact O-N 3.01Å; F260-V262 VanDerWaalsContact C-N 3.28Å; F260-V262 PolarHBondContact O-N 3.41Å; F260-I263 CarbonylContact O-C 3.47Å; F260-I263 WeakPolarHBondContact O-CB 3.41Å; F260-I263 PolarHBondContact O-N 2.99Å; F260-E264 HydrophobicContact CE1-CB 4.48Å; F260-E264 PolarHBondContact O-N 2.9Å; F260-A345 HydrophobicContact CE2-CB 4.08Å; F260-A348 HydrophobicContact CD2-CB 4.3Å; F260-C349 WeakPolarHBondContact CE2-SG 3.25Å; F260-D354 HydrophobicContact CD1-CB 4.18Å; F260-D354 HydrophobicContact CE1-CB 3.76Å; F260-D354 HydrophobicContact CZ-CB 4.12Å; F260-L358 HydrophobicContact CZ-CB 4.45Å; F260-L358 HydrophobicContact CZ-CD2 4.28Å
261	Q	68.8	Low	63.1	Low	112 Å²	112	72.3 Å²	72.3	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-36.6	176.1	-75.4	-176.8	-29.7	0	0	112.5	Q265	Q261-Q265 WeakPolarHBondContact O-CB 3.12Å; Q261-Q265 WeakPolarHBondContact O-CG 3.48Å; Q261-Q265 PolarHBondContact O-N 3.27Å
262	V	75.9	Confident	65.1	Low	71 Å²	71	68.3 Å²	68.3	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-67.8	-35.6	174.9	174.4	0	0	0	0	111.7	H258 N259 F260 K266	H258-V262 WeakPolarHBondContact O-CG2 3.22Å; H258-V262 PolarHBondContact O-N 3.15Å; N259-V262 PolarHBondContact O-N 3.13Å; F260-V262 VanDerWaalsContact C-N 3.28Å; F260-V262 PolarHBondContact O-N 3.41Å; V262-K266 HydrophobicContact CG1-CD 4.41Å; V262-K266 WeakPolarHBondContact O-CB 3.31Å; V262-K266 VanDerWaalsContact O-CG 3.31Å; V262-K266 WeakPolarHBondContact O-CG 3.16Å; V262-K266 PolarHBondContact O-N 2.93Å; V262-K266 VanDerWaalsContact O-N 3.14Å
263	I	76.1	Confident	67	Low	8 Å²	8	70.2 Å²	70.2	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-69.8	-46.3	175.2	-71.1	162.3	0	0	0	110.9	N259 F260 Q265 K266 M267 W341 K344 A345 A348	N259-I263 WeakPolarHBondContact O-CD1 3.48Å; N259-I263 VanDerWaalsContact O-CG1 3.27Å; N259-I263 WeakPolarHBondContact O-CG1 3.44Å; N259-I263 PolarHBondContact O-N 3.45Å; F260-I263 CarbonylContact O-C 3.47Å; F260-I263 WeakPolarHBondContact O-CB 3.41Å; F260-I263 PolarHBondContact O-N 2.99Å; I263-Q265 PolarHBondContact O-N 3.44Å; I263-K266 PolarHBondContact O-N 3.26Å; I263-M267 WeakPolarHBondContact O-CB 3.42Å; I263-M267 PolarHBondContact O-N 3.29Å; I263-W341 HydrophobicContact CG1-CE3 4.36Å; I263-W341 HydrophobicContact CG1-CZ3 4.23Å; I263-W341 HydrophobicContact CG2-CE3 4.23Å; I263-K344 HydrophobicContact CD1-CB 4.43Å; I263-K344 HydrophobicContact CG2-CB 4.2Å; I263-A345 HydrophobicContact CG2-CB 3.81Å; I263-A348 HydrophobicContact CD1-CB 3.72Å
264	E	72	Confident	68.6	Low	26 Å²	26	64.9 Å²	64.9	12%	0.121	33%	0.327	C	S	.	.	H	α-helix	trans	-54.2	-50.6	173.3	166.4	180	-149.5	0	0	111.4	F260 K266 M267 K268 L358	F260-E264 HydrophobicContact CE1-CB 4.48Å; F260-E264 PolarHBondContact O-N 2.9Å; E264-K266 VanDerWaalsContact C-N 3.32Å; E264-K266 PolarHBondContact O-N 3.01Å; E264-M267 PolarHBondContact O-N 3.31Å; E264-K268 HydrophobicContact CG-CD 3.87Å; E264-K268 HydrophobicContact CG-CG 4.5Å; E264-K268 WeakPolarHBondContact O-CB 3.33Å; E264-K268 WeakPolarHBondContact O-CG 3.15Å; E264-K268 PolarHBondContact O-N 3.24Å; E264-K268 WeakPolarHBondContact OE1-CE 3.35Å; E264-K268 IonicContact OE1-NZ 3.78Å; E264-K268 PolarHBondContact OE1-NZ 3.03Å; E264-L358 HydrophobicContact CB-CD1 4.16Å; E264-L358 HydrophobicContact CG-CD1 3.84Å
265	Q	78.2	Confident	69.9	Low	121 Å²	121	65.1 Å²	65.1	57%	0.565	32%	0.318	S	S	*	.	H	α-helix	trans	-65.3	-35.5	-178.4	-69.5	-66.6	-32.3	0	0	112	Q261 I263 S269	Q261-Q265 WeakPolarHBondContact O-CB 3.12Å; Q261-Q265 WeakPolarHBondContact O-CG 3.48Å; Q261-Q265 PolarHBondContact O-N 3.27Å; I263-Q265 PolarHBondContact O-N 3.44Å; Q265-S269 WeakPolarHBondContact O-CB 3.29Å; Q265-S269 PolarHBondContact O-N 2.88Å
266	K	81.4	Confident	71.4	Confident	69 Å²	69	63.3 Å²	63.3	30%	0.3	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-43.9	172.8	-74.1	179.6	-176.9	-175.9	0	112	V262 I263 E264 S269 E270 W341	V262-K266 HydrophobicContact CG1-CD 4.41Å; V262-K266 WeakPolarHBondContact O-CB 3.31Å; V262-K266 VanDerWaalsContact O-CG 3.31Å; V262-K266 WeakPolarHBondContact O-CG 3.16Å; V262-K266 PolarHBondContact O-N 2.93Å; V262-K266 VanDerWaalsContact O-N 3.14Å; I263-K266 PolarHBondContact O-N 3.26Å; E264-K266 VanDerWaalsContact C-N 3.32Å; E264-K266 PolarHBondContact O-N 3.01Å; K266-S269 WeakPolarHBondContact O-CB 3.47Å; K266-S269 PolarHBondContact O-N 2.91Å; K266-E270 PolarHBondContact O-N 2.85Å; K266-W341 HydrophobicContact CB-CD2 3.99Å; K266-W341 HydrophobicContact CB-CE3 4.27Å; K266-W341 HydrophobicContact CB-CG 4.47Å; K266-W341 HydrophobicContact CB-CZ2 4.28Å; K266-W341 HydrophobicContact CD-CE3 4.45Å; K266-W341 HydrophobicContact CD-CH2 3.46Å; K266-W341 VanDerWaalsContact CD-CH2 3.46Å; K266-W341 HydrophobicContact CD-CZ2 3.6Å; K266-W341 HydrophobicContact CD-CZ3 3.9Å; K266-W341 HydrophobicContact CG-CZ2 4.5Å
267	M	79.4	Confident	72.5	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-48.9	174.7	-171.7	178.9	168.4	0	0	111.1	I263 E264 S269 E270 M271 W341 L342 L358 L362 L368	I263-M267 WeakPolarHBondContact O-CB 3.42Å; I263-M267 PolarHBondContact O-N 3.29Å; E264-M267 PolarHBondContact O-N 3.31Å; M267-S269 VanDerWaalsContact C-N 3.27Å; M267-S269 PolarHBondContact O-N 2.83Å; M267-E270 PolarHBondContact O-N 2.81Å; M267-M271 HydrophobicContact CE-SD 4.09Å; M267-M271 HydrophobicContact CG-CG 4.5Å; M267-M271 HydrophobicContact CG-SD 3.99Å; M267-M271 WeakPolarHBondContact O-CB 3.45Å; M267-M271 WeakPolarHBondContact O-CG 3.22Å; M267-M271 PolarHBondContact O-N 2.94Å; M267-W341 HydrophobicContact CB-CB 3.93Å; M267-W341 HydrophobicContact CG-CB 4.24Å; M267-L342 HydrophobicContact CE-CB 4.27Å; M267-L342 HydrophobicContact CE-CD1 4.02Å; M267-L342 HydrophobicContact SD-CB 4.49Å; M267-L342 HydrophobicContact SD-CD1 4.49Å; M267-L358 HydrophobicContact SD-CD1 4.19Å; M267-L358 HydrophobicContact SD-CD2 3.85Å; M267-L358 HydrophobicContact SD-CG 4.26Å; M267-L362 HydrophobicContact CE-CD1 4.4Å; M267-L362 HydrophobicContact CE-CD2 4.17Å; M267-L368 HydrophobicContact CE-CD2 4.48Å
268	K	75.5	Confident	73.3	Confident	51 Å²	51	57.1 Å²	57.1	22%	0.222	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-32.8	176.6	-73.5	177.4	172.3	177.8	0	112.5	E264 M271 E272 D361	E264-K268 HydrophobicContact CG-CD 3.87Å; E264-K268 HydrophobicContact CG-CG 4.5Å; E264-K268 WeakPolarHBondContact O-CB 3.33Å; E264-K268 WeakPolarHBondContact O-CG 3.15Å; E264-K268 PolarHBondContact O-N 3.24Å; E264-K268 WeakPolarHBondContact OE1-CE 3.35Å; E264-K268 IonicContact OE1-NZ 3.78Å; E264-K268 PolarHBondContact OE1-NZ 3.03Å; K268-M271 HydrophobicContact CG-CE 4.43Å; K268-M271 HydrophobicContact CG-SD 4.37Å; K268-E272 PolarHBondContact O-N 3.4Å; K268-E272 VanDerWaalsContact O-N 3.08Å; K268-D361 WeakPolarHBondContact CE-OD2 3.46Å; K268-D361 IonicContact NZ-OD2 2.74Å; K268-D361 PolarHBondContact NZ-OD2 3.33Å
269	S	81.7	Confident	73.6	Confident	60 Å²	60	54 Å²	54	42%	0.42	27%	0.27	S	S	.	.	H	α-helix	trans	-68.1	-45.3	172.7	-170.9	0	0	0	0	113	Q265 K266 M267 M271 E272 K273	Q265-S269 WeakPolarHBondContact O-CB 3.29Å; Q265-S269 PolarHBondContact O-N 2.88Å; K266-S269 WeakPolarHBondContact O-CB 3.47Å; K266-S269 PolarHBondContact O-N 2.91Å; M267-S269 VanDerWaalsContact C-N 3.27Å; M267-S269 PolarHBondContact O-N 2.83Å; S269-M271 VanDerWaalsContact C-N 3.34Å; S269-E272 PolarHBondContact O-N 2.89Å; S269-K273 WeakPolarHBondContact O-CG 3.5Å; S269-K273 PolarHBondContact O-N 3.09Å
270	E	80.9	Confident	73.2	Confident	18 Å²	18	54.5 Å²	54.5	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-35.2	175.3	-60.7	-59.8	122.3	0	0	112	K266 M267 E272 K273 L274 T334 N337	K266-E270 PolarHBondContact O-N 2.85Å; M267-E270 PolarHBondContact O-N 2.81Å; E270-E272 PolarHBondContact O-N 3.37Å; E270-K273 WeakPolarHBondContact O-CB 3.31Å; E270-K273 PolarHBondContact O-N 3.05Å; E270-K273 WeakPolarHBondContact OE1-CE 3.39Å; E270-K273 IonicContact OE1-NZ 3.94Å; E270-K273 PolarHBondContact OE1-NZ 2.99Å; E270-K273 IonicContact OE2-NZ 2.8Å; E270-L274 PolarHBondContact O-N 3.11Å; E270-T334 WeakPolarHBondContact O-CG2 3.35Å; E270-N337 HydrophobicContact CG-CB 3.97Å; E270-N337 WeakPolarHBondContact OE2-CB 3.43Å; E270-N337 PolarHBondContact OE2-ND2 2.93Å
271	M	73	Confident	72	Confident	21 Å²	21	58.4 Å²	58.4	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-44.6	171.9	-71.6	166.5	41.3	0	0	112.2	M267 K268 S269 L274 R275 L362 L368	M267-M271 HydrophobicContact CE-SD 4.09Å; M267-M271 HydrophobicContact CG-CG 4.5Å; M267-M271 HydrophobicContact CG-SD 3.99Å; M267-M271 WeakPolarHBondContact O-CB 3.45Å; M267-M271 WeakPolarHBondContact O-CG 3.22Å; M267-M271 PolarHBondContact O-N 2.94Å; K268-M271 HydrophobicContact CG-CE 4.43Å; K268-M271 HydrophobicContact CG-SD 4.37Å; S269-M271 VanDerWaalsContact C-N 3.34Å; M271-L274 PolarHBondContact O-N 3.12Å; M271-R275 PolarHBondContact O-N 3.35Å; M271-L362 HydrophobicContact CE-CD2 3.7Å; M271-L362 HydrophobicContact SD-CD2 3.73Å; M271-L368 HydrophobicContact CB-CD1 4.39Å; M271-L368 HydrophobicContact CE-CB 4.22Å; M271-L368 HydrophobicContact CG-CB 4.5Å; M271-L368 HydrophobicContact CG-CD1 3.97Å; M271-L368 HydrophobicContact CG-CD2 3.86Å; M271-L368 HydrophobicContact CG-CG 4.31Å; M271-L368 HydrophobicContact SD-CD2 4.19Å
272	E	76.3	Confident	70.9	Confident	73 Å²	73	56.4 Å²	56.4	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-68.8	-37.3	178.2	-159.9	63.5	-119.3	0	0	111.7	K268 S269 E270 L274 R275 H276	K268-E272 PolarHBondContact O-N 3.4Å; K268-E272 VanDerWaalsContact O-N 3.08Å; S269-E272 PolarHBondContact O-N 2.89Å; E270-E272 PolarHBondContact O-N 3.37Å; E272-L274 VanDerWaalsContact C-N 3.33Å; E272-L274 PolarHBondContact O-N 3.05Å; E272-R275 PolarHBondContact O-N 3.41Å; E272-R275 IonicContact OE1-CZ 2.68Å; E272-R275 IonicContact OE1-NE 2.61Å; E272-R275 IonicContact OE1-NH1 3.47Å; E272-R275 PolarHBondContact OE1-NH1 3.15Å; E272-R275 IonicContact OE2-CZ 3.59Å; E272-R275 IonicContact OE2-NH1 3.45Å; E272-R275 PolarHBondContact OE2-NH1 3.41Å; E272-H276 PolarHBondContact O-CD2 2.96Å; E272-H276 VanDerWaalsContact O-CD2 3.26Å; E272-H276 PolarHBondContact O-N 3.27Å
273	K	80.4	Confident	68.7	Low	93 Å²	93	57.5 Å²	57.5	40%	0.404	30%	0.301	S	S	.	.	H	α-helix	trans	-57.9	-45.8	169.2	-68.7	173.6	-170.6	175.8	0	111.2	S269 E270 R275 H276 I277 T334	S269-K273 WeakPolarHBondContact O-CG 3.5Å; S269-K273 PolarHBondContact O-N 3.09Å; E270-K273 WeakPolarHBondContact O-CB 3.31Å; E270-K273 PolarHBondContact O-N 3.05Å; E270-K273 WeakPolarHBondContact OE1-CE 3.39Å; E270-K273 IonicContact OE1-NZ 3.94Å; E270-K273 PolarHBondContact OE1-NZ 2.99Å; E270-K273 IonicContact OE2-NZ 2.8Å; K273-R275 VanDerWaalsContact C-N 3.33Å; K273-R275 PolarHBondContact O-N 2.93Å; K273-H276 PolarHBondContact O-N 3.38Å; K273-I277 VanDerWaalsContact O-CG1 3.26Å; K273-I277 WeakPolarHBondContact O-CG1 3.46Å; K273-I277 PolarHBondContact O-N 3.23Å; K273-T334 HydrophobicContact CB-CG2 4.07Å
274	L	76.8	Confident	66.3	Low	6 Å²	6	63.2 Å²	63.2	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-38.7	177.8	-166	68.3	0	0	0	111.6	E270 M271 E272 S278 E331 T334 I335 L368 I372	E270-L274 PolarHBondContact O-N 3.11Å; M271-L274 PolarHBondContact O-N 3.12Å; E272-L274 VanDerWaalsContact C-N 3.33Å; E272-L274 PolarHBondContact O-N 3.05Å; L274-S278 VanDerWaalsContact O-CB 3.25Å; L274-S278 WeakPolarHBondContact O-CB 3.5Å; L274-S278 PolarHBondContact O-N 3.15Å; L274-S278 PolarHBondContact O-OG 3.34Å; L274-E331 HydrophobicContact CD1-CG 4Å; L274-T334 HydrophobicContact CB-CG2 3.94Å; L274-T334 HydrophobicContact CD1-CG2 4.15Å; L274-I335 HydrophobicContact CD1-CD1 4.41Å; L274-I335 HydrophobicContact CD1-CG1 3.79Å; L274-I335 HydrophobicContact CD2-CG1 4.24Å; L274-L368 HydrophobicContact CD2-CD1 3.87Å; L274-I372 HydrophobicContact CD2-CG1 4.1Å
275	R	71.3	Confident	64.2	Low	84 Å²	84	67 Å²	67	32%	0.317	36%	0.364	S	S	.	.	H	α-helix	trans	-63.5	-42.5	173	-162.6	-169.7	-71.9	133.9	-1.1	111.8	M271 E272 K273 S278 S279 D366	M271-R275 PolarHBondContact O-N 3.35Å; E272-R275 PolarHBondContact O-N 3.41Å; E272-R275 IonicContact OE1-CZ 2.68Å; E272-R275 IonicContact OE1-NE 2.61Å; E272-R275 IonicContact OE1-NH1 3.47Å; E272-R275 PolarHBondContact OE1-NH1 3.15Å; E272-R275 IonicContact OE2-CZ 3.59Å; E272-R275 IonicContact OE2-NH1 3.45Å; E272-R275 PolarHBondContact OE2-NH1 3.41Å; K273-R275 VanDerWaalsContact C-N 3.33Å; K273-R275 PolarHBondContact O-N 2.93Å; R275-S278 WeakPolarHBondContact CA-OG 3.17Å; R275-S278 PolarHBondContact O-OG 2.68Å; R275-S278 VanDerWaalsContact O-OG 3.14Å; R275-S279 VanDerWaalsContact O-CB 3.27Å; R275-S279 WeakPolarHBondContact O-CB 3.43Å; R275-S279 PolarHBondContact O-N 3.29Å; R275-S279 PolarHBondContact O-OG 3.44Å; R275-D366 VanDerWaalsContact CZ-O 3.3Å; R275-D366 PolarHBondContact NE-O 3.18Å; R275-D366 PolarHBondContact NH2-O 2.94Å
276	H	74.5	Confident	61.6	Low	125 Å²	125	66.4 Å²	66.4	58%	0.579	37%	0.374	S	S	*	.	H	α-helix	trans	-67.5	-42.3	176	-72.2	-47.2	0	0	0	113.2	E272 K273 S279 S280	E272-H276 PolarHBondContact O-CD2 2.96Å; E272-H276 VanDerWaalsContact O-CD2 3.26Å; E272-H276 PolarHBondContact O-N 3.27Å; K273-H276 PolarHBondContact O-N 3.38Å; H276-S279 PolarHBondContact O-OG 2.86Å; H276-S280 PolarHBondContact O-N 2.81Å
277	I	73.1	Confident	59.1	Low	37 Å²	37	69 Å²	69	19%	0.19	40%	0.401	C	S	.	.	H	α-helix	trans	-63.1	-44.1	175.9	-65.9	163.1	0	0	0	110.1	K273 S280 R327 E331 T334	K273-I277 VanDerWaalsContact O-CG1 3.26Å; K273-I277 WeakPolarHBondContact O-CG1 3.46Å; K273-I277 PolarHBondContact O-N 3.23Å; I277-S280 PolarHBondContact O-OG 3.31Å; I277-R327 HydrophobicContact CG2-CG 4.24Å; I277-R327 PolarHBondContact O-NE 3.49Å; I277-R327 PolarHBondContact O-NH2 2.95Å; I277-E331 HydrophobicContact CG2-CB 3.76Å; I277-E331 HydrophobicContact CG2-CG 3.76Å; I277-T334 HydrophobicContact CD1-CG2 4.46Å; I277-T334 WeakPolarHBondContact CD1-OG1 3.46Å
278	S	63.5	Low	56.6	Low	21 Å²	21	74.1 Å²	74.1	15%	0.147	44%	0.437	C	S	.	.	H	α-helix	trans	-75.1	-25	-177.1	59.5	0	0	0	0	114.8	L274 R275 T371 R375	L274-S278 VanDerWaalsContact O-CB 3.25Å; L274-S278 WeakPolarHBondContact O-CB 3.5Å; L274-S278 PolarHBondContact O-N 3.15Å; L274-S278 PolarHBondContact O-OG 3.34Å; R275-S278 WeakPolarHBondContact CA-OG 3.17Å; R275-S278 PolarHBondContact O-OG 2.68Å; R275-S278 VanDerWaalsContact O-OG 3.14Å; S278-T371 WeakPolarHBondContact OG-CG2 3.22Å; S278-R375 PolarHBondContact O-NH2 3.29Å
279	S	58.4	Low	54.3	Low	81 Å²	81	76.2 Å²	76.2	57%	0.566	46%	0.458	S	S	*	.	H	α-helix	trans	-86.7	-15.9	179.9	53.6	0	0	0	0	115.2	R275 H276	R275-S279 VanDerWaalsContact O-CB 3.27Å; R275-S279 WeakPolarHBondContact O-CB 3.43Å; R275-S279 PolarHBondContact O-N 3.29Å; R275-S279 PolarHBondContact O-OG 3.44Å; H276-S279 PolarHBondContact O-OG 2.86Å
280	S	53.8	Low	51.6	Low	49 Å²	49	81.2 Å²	81.2	34%	0.343	48%	0.479	S	S	.	.	S	Bend	trans	-64	130.5	172.3	57.3	0	0	0	0	111.4	H276 I277 R327	H276-S280 PolarHBondContact O-N 2.81Å; I277-S280 PolarHBondContact O-OG 3.31Å; S280-R327 PolarHBondContact O-NH1 2.76Å; S280-R327 PolarHBondContact O-NH2 2.85Å; S280-R327 PolarHBondContact OG-NH2 3.07Å
281	P	41.9	Very low	49	Very low	99 Å²	99	85.5 Å²	85.5	64%	0.643	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-71.1	145	-175.6	27.8	-34.5	0	0	0	111.9	T283	P281-T283 PolarHBondContact O-N 2.81Å
282	F	44	Very low	46.8	Very low	70 Å²	70	90.1 Å²	90.1	31%	0.307	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-65.2	119.5	156.6	-78.3	-82.3	0	0	0	107.6	V284 D324	F282-V284 VanDerWaalsContact C-N 3.29Å; F282-V284 PolarHBondContact O-N 2.9Å; F282-D324 HydrophobicContact CE1-CB 4.5Å
283	T	30.7	Very low	44.3	Very low	95 Å²	95	94 Å²	94	58%	0.583	56%	0.562	S	S	*	*			trans	-83.8	70.2	-168.9	39.9	0	0	0	0	112.8	P281 S285	P281-T283 PolarHBondContact O-N 2.81Å; T283-S285 PolarHBondContact O-N 3.46Å
284	V	26.7	Very low	41.9	Very low	127 Å²	127	96.2 Å²	96.2	77%	0.77	58%	0.583	S	S	*	*			trans	-74	72.3	162.7	-171.9	0	0	0	0	108.8	F282	F282-V284 VanDerWaalsContact C-N 3.29Å; F282-V284 PolarHBondContact O-N 2.9Å
285	S	26.3	Very low	39.5	Very low	105 Å²	105	103.7 Å²	103.7	73%	0.734	62%	0.618	S	S	*	*			trans	-100.7	82.8	-179.9	55.9	0	0	0	0	110.9	T283	T283-S285 PolarHBondContact O-N 3.46Å
286	S	24.8	Very low	37.6	Very low	109 Å²	109	104.7 Å²	104.7	76%	0.762	64%	0.635	S	S	*	*			trans	-118.2	73.9	174.3	58.5	0	0	0	0	111.3
287	S	28.1	Very low	35.2	Very low	125 Å²	125	105.2 Å²	105.2	87%	0.874	64%	0.641	S	S	*	*			trans	-149.3	142.3	164.6	57.4	0	0	0	0	110.4
288	S	27.1	Very low	33.1	Very low	107 Å²	107	109.5 Å²	109.5	75%	0.748	67%	0.665	S	S	*	*			trans	-114.7	160.3	-176.9	57.5	0	0	0	0	112
289	S	27.3	Very low	31.5	Very low	95 Å²	95	114.4 Å²	114.4	66%	0.664	69%	0.689	S	S	*	*			trans	66.4	96.5	156.1	44.2	0	0	0	0	120
290	L	24.7	Very low	30.2	Very low	166 Å²	166	117.7 Å²	117.7	87%	0.869	70%	0.699	S	S	*	*				81.2	152.4	118	-84	144	0	0	0	122.7
291	S	26.7	Very low	28.8	Very low	107 Å²	107	121.7 Å²	121.7	75%	0.748	72%	0.716	S	S	*	*			trans	78.8	141.4	170.5	77.9	0	0	0	0	117.7
292	T	26.6	Very low	28.3	Very low	119 Å²	119	124 Å²	124	73%	0.73	72%	0.724	S	S	*	*			cis	-166.7	132.2	-13.9	-101.5	0	0	0	0	111
293	I	24.5	Very low	27.5	Very low	153 Å²	153	128.3 Å²	128.3	79%	0.785	75%	0.748	S	S	*	*			trans	57.5	126.8	156.7	-65.6	172.2	0	0	0	116.8
294	V	28.8	Very low	27.2	Very low	141 Å²	141	131.1 Å²	131.1	86%	0.855	76%	0.758	S	S	*	*				-141.8	154	74.6	168.3	0	0	0	0	112.6
295	Q	26	Very low	27.1	Very low	163 Å²	163	130.4 Å²	130.4	76%	0.762	75%	0.754	S	S	*	*			trans	-111.8	-171.8	-175	-103.3	-168.9	-4.5	0	0	111.3
296	P	32.2	Very low	27.2	Very low	105 Å²	105	132.3 Å²	132.3	68%	0.682	76%	0.761	S	S	*	*			cis	-139.9	164.5	9.7	39.6	-20.2	0	0	0	119.1
297	L	24.7	Very low	27.1	Very low	135 Å²	135	135.1 Å²	135.1	71%	0.707	76%	0.764	S	S	*	*			trans	60.3	159.4	145	-91	54.8	0	0	0	120.6
298	D	28.5	Very low	27.4	Very low	127 Å²	127	133.7 Å²	133.7	68%	0.679	75%	0.752	S	S	*	*			cis	-130.4	145.6	25.4	-96.1	-47.1	0	0	0	116.1
299	N	30.6	Very low	27.2	Very low	124 Å²	124	134.5 Å²	134.5	66%	0.663	75%	0.753	S	S	*	*			trans	55.5	144.2	145.1	-63.3	-44	0	0	0	121.5
300	I	30.6	Very low	27.2	Very low	150 Å²	150	138 Å²	138	77%	0.769	76%	0.762	S	S	*	*			cis	-149.9	161.3	4.5	-120.1	158.2	0	0	0	110.8
301	D	24.9	Very low	27.2	Very low	133 Å²	133	137 Å²	137	71%	0.711	76%	0.757	S	S	*	*			trans	-85.9	174.4	-164.5	-56.6	-81.6	0	0	0	119.4
302	N	29.9	Very low	27.4	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	77%	0.767	S	S	*	*			trans	80.1	123.5	157.3	-59	-59.1	0	0	0	117.5
303	I	28.3	Very low	27.5	Very low	160 Å²	160	142 Å²	142	82%	0.821	76%	0.764	S	S	*	*				-149.4	146.5	60.4	-82.3	162.8	0	0	0	112.7
304	I	23.8	Very low	27.6	Very low	154 Å²	154	142.3 Å²	142.3	79%	0.79	77%	0.768	S	S	*	*			trans	-127.4	133	164.3	-46.2	176.7	0	0	0	104.4
305	T	24.5	Very low	27.8	Very low	111 Å²	111	140.1 Å²	140.1	68%	0.681	75%	0.751	S	S	*	*				-173.8	140.9	67.5	-44.7	0	0	0	0	111
306	T	27.9	Very low	28.6	Very low	145 Å²	145	136.2 Å²	136.2	89%	0.89	74%	0.742	S	S	*	*			trans	-167.5	157.7	137.7	11.6	0	0	0	0	110.5
307	M	23.2	Very low	29.1	Very low	168 Å²	168	135.6 Å²	135.6	83%	0.828	74%	0.736	S	S	*	*			trans	-132.6	173.3	-169.7	-95	-80.9	-171.8	0	0	108.8
308	P	33.6	Very low	29.8	Very low	96 Å²	96	131.7 Å²	131.7	62%	0.623	72%	0.716	S	S	*	*			cis	-136.4	-176.4	-3.2	29.5	-6.1	0	0	0	115.9
309	T	23.2	Very low	30.6	Very low	124 Å²	124	129.6 Å²	129.6	76%	0.761	71%	0.707	S	S	*	*			trans	61	118.5	148.1	42.5	0	0	0	0	121.9
310	I	27	Very low	31.4	Very low	167 Å²	167	129.2 Å²	129.2	86%	0.856	70%	0.697	S	S	*	*				-154.1	160.9	125.8	-102.7	158	0	0	0	108
311	L	25.4	Very low	32.5	Very low	146 Å²	146	123.7 Å²	123.7	76%	0.764	67%	0.669	S	S	*	*			trans	-67.4	157.6	-173.6	-61.1	84.5	0	0	0	113.3
312	Q	31.9	Very low	34.1	Very low	203 Å²	203	122.1 Å²	122.1	95%	0.949	66%	0.657	S	S	*	*			trans	-120.5	125.7	156.6	-101.2	-170.6	-16	0	0	110.4
313	D	27.8	Very low	35.8	Very low	127 Å²	127	122 Å²	122	68%	0.679	65%	0.649	S	S	*	*			trans	-94.6	166.1	-172.4	-100.7	-57.5	0	0	0	114.3	N315	D313-N315 PolarHBondContact O-N 3.34Å
314	N	27.1	Very low	37.7	Very low	161 Å²	161	116 Å²	116	86%	0.861	62%	0.619	S	S	*	*	S	Bend	trans	-65.6	84	-179.7	-66	-61.4	0	0	0	113.4
315	N	31.7	Very low	39.9	Very low	94 Å²	94	110.4 Å²	110.4	50%	0.503	59%	0.59	S	S	.	*			trans	-137.7	23.2	-179.1	-101.8	-52.8	0	0	0	115.9	D313 V317	D313-N315 PolarHBondContact O-N 3.34Å; N315-V317 VanDerWaalsContact C-N 3.32Å; N315-V317 PolarHBondContact O-N 2.81Å
316	S	44	Very low	42.3	Very low	82 Å²	82	110.2 Å²	110.2	57%	0.573	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-14.3	-174.5	78.4	0	0	0	0	115.8	R320	S316-R320 PolarHBondContact O-NE 2.72Å; S316-R320 PolarHBondContact O-NH2 2.72Å; S316-R320 PolarHBondContact OG-NH2 2.86Å
317	V	42.9	Very low	44.7	Very low	91 Å²	91	105 Å²	105	55%	0.552	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-44	179	179.8	0	0	0	0	111.1	N315 V319 R320 N321	N315-V317 VanDerWaalsContact C-N 3.32Å; N315-V317 PolarHBondContact O-N 2.81Å; V317-V319 PolarHBondContact O-N 3.17Å; V317-V319 VanDerWaalsContact O-N 3.17Å; V317-R320 WeakPolarHBondContact O-CB 3.27Å; V317-R320 PolarHBondContact O-N 2.96Å; V317-N321 PolarHBondContact O-N 2.85Å; V317-N321 PolarHBondContact O-OD1 2.86Å
318	L	39.8	Very low	47.4	Very low	53 Å²	53	97.3 Å²	97.3	28%	0.277	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-29.9	-172.5	-126.9	156	0	0	0	113.2	K437	L318-K437 HydrophobicContact CD2-CD 4.09Å
319	V	43.9	Very low	49.6	Very low	84 Å²	84	95.6 Å²	95.6	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-82.6	-18.1	177.6	-178.9	0	0	0	0	113.2	V317	V317-V319 PolarHBondContact O-N 3.17Å; V317-V319 VanDerWaalsContact O-N 3.17Å
320	R	47.6	Very low	52.4	Low	115 Å²	115	94.1 Å²	94.1	43%	0.434	48%	0.481	S	S	.	.	H	α-helix	trans	-72.9	-56.6	173.7	-76.3	-179.2	-109.7	-170.4	-0.3	110	S316 V317 E322 K323 D324	S316-R320 PolarHBondContact O-NE 2.72Å; S316-R320 PolarHBondContact O-NH2 2.72Å; S316-R320 PolarHBondContact OG-NH2 2.86Å; V317-R320 WeakPolarHBondContact O-CB 3.27Å; V317-R320 PolarHBondContact O-N 2.96Å; R320-E322 PolarHBondContact O-N 3.02Å; R320-K323 WeakPolarHBondContact O-CB 3.44Å; R320-K323 PolarHBondContact O-N 2.88Å; R320-D324 PolarHBondContact O-N 2.56Å; R320-D324 VanDerWaalsContact O-OD2 3.09Å
321	N	53.9	Low	55	Low	35 Å²	35	86.3 Å²	86.3	19%	0.187	44%	0.441	C	S	.	.	H	α-helix	trans	-52.8	-35.1	-176.6	-61.5	25.3	0	0	0	113.6	V317 M325	V317-N321 PolarHBondContact O-N 2.85Å; V317-N321 PolarHBondContact O-OD1 2.86Å; N321-M325 WeakPolarHBondContact O-CB 3.27Å; N321-M325 WeakPolarHBondContact O-CG 3.43Å; N321-M325 PolarHBondContact O-N 2.87Å
322	E	59.6	Low	57.7	Low	99 Å²	99	83 Å²	83	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-73.8	-32.5	176.8	-73.7	-177.3	179.6	0	0	113.8	R320 N326 K437	R320-E322 PolarHBondContact O-N 3.02Å; E322-N326 VanDerWaalsContact O-CG 3.27Å; E322-N326 PolarHBondContact O-N 3.47Å; E322-N326 VanDerWaalsContact O-N 3.14Å; E322-N326 PolarHBondContact O-ND2 3.19Å; E322-N326 VanDerWaalsContact O-ND2 3.13Å; E322-K437 IonicContact OE1-NZ 3.61Å; E322-K437 PolarHBondContact OE1-NZ 3.3Å
323	K	64.9	Low	60.2	Low	147 Å²	147	78.1 Å²	78.1	64%	0.639	39%	0.394	S	S	*	.	H	α-helix	trans	-71.5	-43.1	173.3	-71.3	-178.3	177.3	-177	0	111.1	R320 N326 R327	R320-K323 WeakPolarHBondContact O-CB 3.44Å; R320-K323 PolarHBondContact O-N 2.88Å; K323-N326 PolarHBondContact O-N 3.09Å; K323-R327 WeakPolarHBondContact O-CB 3.2Å; K323-R327 PolarHBondContact O-N 2.93Å
324	D	68.1	Low	62.9	Low	34 Å²	34	72.3 Å²	72.3	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-69	-35.3	178.9	-60	-48.9	0	0	0	111.3	F282 R320 R327 L328 Y441	F282-D324 HydrophobicContact CE1-CB 4.5Å; R320-D324 PolarHBondContact O-N 2.56Å; R320-D324 VanDerWaalsContact O-OD2 3.09Å; D324-R327 WeakPolarHBondContact O-CB 3.45Å; D324-R327 PolarHBondContact O-N 2.87Å; D324-L328 WeakPolarHBondContact O-CG 3.23Å; D324-L328 PolarHBondContact O-N 3.03Å; D324-Y441 HydrophobicContact CB-CE2 4.01Å
325	M	70.9	Confident	65.6	Low	37 Å²	37	64.7 Å²	64.7	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-49.9	167.7	-87	-68.1	-71.9	0	0	113.2	N321 R327 L328 N329 Q440 Y441 A444	N321-M325 WeakPolarHBondContact O-CB 3.27Å; N321-M325 WeakPolarHBondContact O-CG 3.43Å; N321-M325 PolarHBondContact O-N 2.87Å; M325-R327 VanDerWaalsContact C-N 3.28Å; M325-R327 PolarHBondContact O-N 2.88Å; M325-L328 PolarHBondContact O-N 2.82Å; M325-N329 PolarHBondContact O-N 3.18Å; M325-N329 PolarHBondContact O-ND2 2.79Å; M325-Q440 HydrophobicContact CE-CB 4Å; M325-Y441 HydrophobicContact CG-CD2 4.27Å; M325-Y441 WeakPolarHBondContact SD-CA 3.36Å; M325-Y441 HydrophobicContact SD-CD2 4.31Å; M325-A444 HydrophobicContact CE-CB 4.04Å; M325-A444 HydrophobicContact SD-CB 3.56Å; M325-A444 VanDerWaalsContact SD-CB 3.56Å
326	N	74.4	Confident	68	Low	106 Å²	106	62.8 Å²	62.8	57%	0.567	32%	0.315	S	S	*	.	H	α-helix	trans	-64.9	-36.2	-179.9	-72.4	-27.5	0	0	0	111.5	E322 K323 N329 E330	E322-N326 VanDerWaalsContact O-CG 3.27Å; E322-N326 PolarHBondContact O-N 3.47Å; E322-N326 VanDerWaalsContact O-N 3.14Å; E322-N326 PolarHBondContact O-ND2 3.19Å; E322-N326 VanDerWaalsContact O-ND2 3.13Å; K323-N326 PolarHBondContact O-N 3.09Å; N326-N329 PolarHBondContact O-N 3.23Å; N326-E330 PolarHBondContact O-N 3.39Å; N326-E330 VanDerWaalsContact O-N 3.08Å
327	R	78.5	Confident	69.9	Low	37 Å²	37	61.6 Å²	61.6	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-50	171.7	179.4	-175.2	172.6	-178.9	3.1	111.9	I277 S280 K323 D324 M325 N329 E330 E331 R375	I277-R327 HydrophobicContact CG2-CG 4.24Å; I277-R327 PolarHBondContact O-NE 3.49Å; I277-R327 PolarHBondContact O-NH2 2.95Å; S280-R327 PolarHBondContact O-NH1 2.76Å; S280-R327 PolarHBondContact O-NH2 2.85Å; S280-R327 PolarHBondContact OG-NH2 3.07Å; K323-R327 WeakPolarHBondContact O-CB 3.2Å; K323-R327 PolarHBondContact O-N 2.93Å; D324-R327 WeakPolarHBondContact O-CB 3.45Å; D324-R327 PolarHBondContact O-N 2.87Å; M325-R327 VanDerWaalsContact C-N 3.28Å; M325-R327 PolarHBondContact O-N 2.88Å; R327-N329 VanDerWaalsContact C-N 3.31Å; R327-N329 PolarHBondContact O-N 3.09Å; R327-E330 PolarHBondContact O-N 3.01Å; R327-E331 WeakPolarHBondContact O-CB 3.32Å; R327-E331 PolarHBondContact O-N 3.28Å; R327-R375 VanDerWaalsContact NH2-NH2 3.13Å
328	L	78.6	Confident	71.8	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-37.8	178.2	-73	169.7	0	0	0	112.3	D324 M325 E331 Y332 Y441 A444 N445 V448	D324-L328 WeakPolarHBondContact O-CG 3.23Å; D324-L328 PolarHBondContact O-N 3.03Å; M325-L328 PolarHBondContact O-N 2.82Å; L328-E331 PolarHBondContact O-N 3.19Å; L328-Y332 WeakPolarHBondContact O-CB 3.17Å; L328-Y332 PolarHBondContact O-N 2.79Å; L328-Y441 HydrophobicContact CD1-CD2 3.91Å; L328-Y441 HydrophobicContact CD1-CE2 3.51Å; L328-A444 HydrophobicContact CB-CB 4.2Å; L328-A444 HydrophobicContact CD1-CB 4.28Å; L328-N445 HydrophobicContact CD1-CB 4.06Å; L328-V448 HydrophobicContact CB-CG2 4.26Å; L328-V448 HydrophobicContact CD2-CB 4.47Å; L328-V448 HydrophobicContact CD2-CG2 3.96Å; L328-V448 VanDerWaalsContact O-CG2 3.27Å; L328-V448 WeakPolarHBondContact O-CG2 3.36Å
329	N	80.1	Confident	73.7	Confident	61 Å²	61	55.9 Å²	55.9	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-42.8	176.5	-75.1	-35.8	0	0	0	112.6	M325 N326 R327 K333	M325-N329 PolarHBondContact O-N 3.18Å; M325-N329 PolarHBondContact O-ND2 2.79Å; N326-N329 PolarHBondContact O-N 3.23Å; R327-N329 VanDerWaalsContact C-N 3.31Å; R327-N329 PolarHBondContact O-N 3.09Å; N329-K333 VanDerWaalsContact O-CB 3.27Å; N329-K333 WeakPolarHBondContact O-CB 3.49Å; N329-K333 PolarHBondContact O-N 3.1Å
330	E	82.2	Confident	75.5	Confident	93 Å²	93	57.4 Å²	57.4	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-71.4	-30.6	173.8	-70.1	-66	135.7	0	0	112.3	N326 R327 K333 T334	N326-E330 PolarHBondContact O-N 3.39Å; N326-E330 VanDerWaalsContact O-N 3.08Å; R327-E330 PolarHBondContact O-N 3.01Å; E330-K333 WeakPolarHBondContact OE1-CD 3.39Å; E330-K333 IonicContact OE1-NZ 3.81Å; E330-K333 PolarHBondContact OE1-NZ 3.2Å; E330-K333 IonicContact OE2-NZ 3.26Å; E330-K333 PolarHBondContact OE2-NZ 3.42Å; E330-T334 WeakPolarHBondContact O-CB 3.28Å; E330-T334 PolarHBondContact O-N 3.19Å; E330-T334 PolarHBondContact O-OG1 3.13Å
331	E	82.1	Confident	77.1	Confident	2 Å²	2	53 Å²	53	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-49.4	171.6	-161.4	166.9	158.4	0	0	110.7	L274 I277 R327 L328 K333 T334 I335 R375 V448	L274-E331 HydrophobicContact CD1-CG 4Å; I277-E331 HydrophobicContact CG2-CB 3.76Å; I277-E331 HydrophobicContact CG2-CG 3.76Å; R327-E331 WeakPolarHBondContact O-CB 3.32Å; R327-E331 PolarHBondContact O-N 3.28Å; L328-E331 PolarHBondContact O-N 3.19Å; E331-K333 PolarHBondContact O-N 3.31Å; E331-T334 PolarHBondContact O-N 2.87Å; E331-I335 WeakPolarHBondContact O-CG1 3.49Å; E331-I335 PolarHBondContact O-N 3.47Å; E331-R375 WeakPolarHBondContact OE1-CD 3.22Å; E331-R375 IonicContact OE1-CZ 2.67Å; E331-R375 IonicContact OE1-NE 3.95Å; E331-R375 IonicContact OE1-NH1 2.66Å; E331-R375 PolarHBondContact OE1-NH1 2.96Å; E331-R375 IonicContact OE2-CZ 3.68Å; E331-R375 IonicContact OE2-NH1 3.61Å; E331-R375 PolarHBondContact OE2-NH1 3.33Å; E331-V448 HydrophobicContact CB-CG2 4.36Å; E331-V448 HydrophobicContact CG-CG1 4.3Å
332	Y	82.3	Confident	78.2	Confident	76 Å²	76	51.4 Å²	51.4	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-45.1	174.5	178.1	-108.4	0	0	0	112.6	L328 T334 I335 V336 R447	L328-Y332 WeakPolarHBondContact O-CB 3.17Å; L328-Y332 PolarHBondContact O-N 2.79Å; Y332-T334 VanDerWaalsContact C-N 3.33Å; Y332-T334 PolarHBondContact O-N 3.26Å; Y332-I335 WeakPolarHBondContact O-CB 3.41Å; Y332-I335 PolarHBondContact O-N 3.41Å; Y332-V336 HydrophobicContact CD1-CG2 4.48Å; Y332-V336 HydrophobicContact CE1-CG2 4.03Å; Y332-V336 HydrophobicContact CE2-CG2 4.15Å; Y332-V336 WeakPolarHBondContact O-CG2 3.19Å; Y332-V336 PolarHBondContact O-N 3.41Å; Y332-R447 HydrophobicContact CD2-CB 3.88Å; Y332-R447 VanDerWaalsContact CD2-O 3.28Å; Y332-R447 WeakPolarHBondContact CD2-O 3.45Å; Y332-R447 HydrophobicContact CE2-CB 3.99Å; Y332-R447 WeakPolarHBondContact CE2-O 3.45Å; Y332-R447 HydrophobicContact CG-CB 4.28Å
333	K	84.6	Confident	78.9	Confident	101 Å²	101	48.1 Å²	48.1	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-38.4	176.1	178.7	-179.8	164	-149.1	0	112.2	N329 E330 E331 V336 N337	N329-K333 VanDerWaalsContact O-CB 3.27Å; N329-K333 WeakPolarHBondContact O-CB 3.49Å; N329-K333 PolarHBondContact O-N 3.1Å; E330-K333 WeakPolarHBondContact OE1-CD 3.39Å; E330-K333 IonicContact OE1-NZ 3.81Å; E330-K333 PolarHBondContact OE1-NZ 3.2Å; E330-K333 IonicContact OE2-NZ 3.26Å; E330-K333 PolarHBondContact OE2-NZ 3.42Å; E331-K333 PolarHBondContact O-N 3.31Å; K333-V336 PolarHBondContact O-N 2.9Å; K333-N337 VanDerWaalsContact O-CG 3.28Å; K333-N337 PolarHBondContact O-N 3.4Å; K333-N337 PolarHBondContact O-OD1 2.85Å
334	T	84.3	Confident	79.5	Confident	6 Å²	6	43.7 Å²	43.7	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-38.4	174.4	-52.9	0	0	0	0	111.4	E270 K273 L274 I277 E330 E331 Y332 N337 C338	E270-T334 WeakPolarHBondContact O-CG2 3.35Å; K273-T334 HydrophobicContact CB-CG2 4.07Å; L274-T334 HydrophobicContact CB-CG2 3.94Å; L274-T334 HydrophobicContact CD1-CG2 4.15Å; I277-T334 HydrophobicContact CD1-CG2 4.46Å; I277-T334 WeakPolarHBondContact CD1-OG1 3.46Å; E330-T334 WeakPolarHBondContact O-CB 3.28Å; E330-T334 PolarHBondContact O-N 3.19Å; E330-T334 PolarHBondContact O-OG1 3.13Å; E331-T334 PolarHBondContact O-N 2.87Å; Y332-T334 VanDerWaalsContact C-N 3.33Å; Y332-T334 PolarHBondContact O-N 3.26Å; T334-N337 WeakPolarHBondContact O-CB 3.31Å; T334-N337 PolarHBondContact O-N 2.99Å; T334-C338 PolarHBondContact O-N 3.09Å; T334-C338 PolarHBondContact O-SG 2.9Å; T334-C338 VanDerWaalsContact O-SG 3.42Å
335	I	82.7	Confident	79.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-45.9	173	-69.5	161	0	0	0	111.1	L274 E331 Y332 N337 C338 E339 V448 G451 S452 L455	L274-I335 HydrophobicContact CD1-CD1 4.41Å; L274-I335 HydrophobicContact CD1-CG1 3.79Å; L274-I335 HydrophobicContact CD2-CG1 4.24Å; E331-I335 WeakPolarHBondContact O-CG1 3.49Å; E331-I335 PolarHBondContact O-N 3.47Å; Y332-I335 WeakPolarHBondContact O-CB 3.41Å; Y332-I335 PolarHBondContact O-N 3.41Å; I335-N337 VanDerWaalsContact C-N 3.32Å; I335-N337 PolarHBondContact O-N 3Å; I335-C338 WeakPolarHBondContact O-CB 3.28Å; I335-C338 PolarHBondContact O-N 3.2Å; I335-C338 VanDerWaalsContact O-N 3.1Å; I335-E339 PolarHBondContact O-N 3.36Å; I335-V448 HydrophobicContact CD1-CG1 3.99Å; I335-G451 WeakPolarHBondContact CG2-O 3.47Å; I335-S452 WeakPolarHBondContact CD1-OG 3.48Å; I335-L455 HydrophobicContact CG2-CB 4.26Å; I335-L455 HydrophobicContact CG2-CD2 3.98Å
336	V	82.6	Confident	79.8	Confident	54 Å²	54	42.8 Å²	42.8	33%	0.327	20%	0.198	S	C	.	.	H	α-helix	trans	-64.1	-36.2	176.3	173.3	0	0	0	0	111.7	Y332 K333 E339 Y340	Y332-V336 HydrophobicContact CD1-CG2 4.48Å; Y332-V336 HydrophobicContact CE1-CG2 4.03Å; Y332-V336 HydrophobicContact CE2-CG2 4.15Å; Y332-V336 WeakPolarHBondContact O-CG2 3.19Å; Y332-V336 PolarHBondContact O-N 3.41Å; K333-V336 PolarHBondContact O-N 2.9Å; V336-E339 PolarHBondContact O-N 2.81Å; V336-Y340 WeakPolarHBondContact O-CB 3.3Å; V336-Y340 PolarHBondContact O-N 2.94Å
337	N	83.5	Confident	79.6	Confident	56 Å²	56	42.4 Å²	42.4	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-41.1	170.9	-70.9	-11.7	0	0	0	111.9	E270 K333 T334 I335 Y340 W341	E270-N337 HydrophobicContact CG-CB 3.97Å; E270-N337 WeakPolarHBondContact OE2-CB 3.43Å; E270-N337 PolarHBondContact OE2-ND2 2.93Å; K333-N337 VanDerWaalsContact O-CG 3.28Å; K333-N337 PolarHBondContact O-N 3.4Å; K333-N337 PolarHBondContact O-OD1 2.85Å; T334-N337 WeakPolarHBondContact O-CB 3.31Å; T334-N337 PolarHBondContact O-N 2.99Å; I335-N337 VanDerWaalsContact C-N 3.32Å; I335-N337 PolarHBondContact O-N 3Å; N337-Y340 PolarHBondContact O-N 2.92Å; N337-W341 PolarHBondContact O-N 3.02Å
338	C	83.2	Confident	79.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-42.5	175	-73.1	0	0	0	0	112.2	T334 I335 Y340 W341 L342 L455	T334-C338 PolarHBondContact O-N 3.09Å; T334-C338 PolarHBondContact O-SG 2.9Å; T334-C338 VanDerWaalsContact O-SG 3.42Å; I335-C338 WeakPolarHBondContact O-CB 3.28Å; I335-C338 PolarHBondContact O-N 3.2Å; I335-C338 VanDerWaalsContact O-N 3.1Å; C338-Y340 VanDerWaalsContact C-N 3.34Å; C338-Y340 PolarHBondContact O-N 2.91Å; C338-W341 PolarHBondContact O-N 2.95Å; C338-L342 VanDerWaalsContact O-CB 3.26Å; C338-L342 WeakPolarHBondContact O-CB 3.41Å; C338-L342 PolarHBondContact O-N 3.13Å; C338-L455 HydrophobicContact CB-CD1 4.39Å; C338-L455 HydrophobicContact CB-CD2 3.6Å
339	E	80.5	Confident	78.3	Confident	25 Å²	25	42.9 Å²	42.9	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-44.6	171.4	-69.9	-170.8	137.7	0	0	111.3	I335 V336 N343 R454 L455 Q458	I335-E339 PolarHBondContact O-N 3.36Å; V336-E339 PolarHBondContact O-N 2.81Å; E339-N343 PolarHBondContact O-N 3.35Å; E339-N343 VanDerWaalsContact O-N 3.13Å; E339-N343 PolarHBondContact O-ND2 2.98Å; E339-R454 WeakPolarHBondContact OE1-CB 3.39Å; E339-R454 WeakPolarHBondContact OE1-CD 3.33Å; E339-R454 WeakPolarHBondContact OE1-CG 3.48Å; E339-L455 HydrophobicContact CG-CB 3.93Å; E339-L455 HydrophobicContact CG-CD1 3.87Å; E339-L455 HydrophobicContact CG-CG 4.33Å; E339-Q458 PolarHBondContact OE1-NE2 2.86Å
340	Y	81.7	Confident	77	Confident	115 Å²	115	46.9 Å²	46.9	45%	0.451	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-47	178.6	174.4	-102.5	0	0	0	112.6	V336 N337 C338 N343 K344	V336-Y340 WeakPolarHBondContact O-CB 3.3Å; V336-Y340 PolarHBondContact O-N 2.94Å; N337-Y340 PolarHBondContact O-N 2.92Å; C338-Y340 VanDerWaalsContact C-N 3.34Å; C338-Y340 PolarHBondContact O-N 2.91Å; Y340-N343 PolarHBondContact O-N 3.11Å; Y340-K344 HydrophobicContact CE1-CG 4.08Å; Y340-K344 HydrophobicContact CE2-CG 4.19Å; Y340-K344 WeakPolarHBondContact O-CB 3.49Å; Y340-K344 PolarHBondContact O-N 3.25Å; Y340-K344 VanDerWaalsContact OH-CE 3.32Å; Y340-K344 WeakPolarHBondContact OH-CE 3.22Å
341	W	80	Confident	75.8	Confident	23 Å²	23	47.4 Å²	47.4	9%	0.087	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-32.8	179.7	-69.6	116.4	0	0	0	113	I263 K266 M267 N337 C338 K344 A345	I263-W341 HydrophobicContact CG1-CE3 4.36Å; I263-W341 HydrophobicContact CG1-CZ3 4.23Å; I263-W341 HydrophobicContact CG2-CE3 4.23Å; K266-W341 HydrophobicContact CB-CD2 3.99Å; K266-W341 HydrophobicContact CB-CE3 4.27Å; K266-W341 HydrophobicContact CB-CG 4.47Å; K266-W341 HydrophobicContact CB-CZ2 4.28Å; K266-W341 HydrophobicContact CD-CE3 4.45Å; K266-W341 HydrophobicContact CD-CH2 3.46Å; K266-W341 VanDerWaalsContact CD-CH2 3.46Å; K266-W341 HydrophobicContact CD-CZ2 3.6Å; K266-W341 HydrophobicContact CD-CZ3 3.9Å; K266-W341 HydrophobicContact CG-CZ2 4.5Å; M267-W341 HydrophobicContact CB-CB 3.93Å; M267-W341 HydrophobicContact CG-CB 4.24Å; N337-W341 PolarHBondContact O-N 3.02Å; C338-W341 PolarHBondContact O-N 2.95Å; W341-K344 HydrophobicContact CE3-CB 4.13Å; W341-K344 HydrophobicContact CE3-CG 4.37Å; W341-K344 HydrophobicContact CZ3-CG 4.46Å; W341-K344 PolarHBondContact O-N 3.01Å; W341-A345 WeakPolarHBondContact O-CB 3.47Å; W341-A345 PolarHBondContact O-N 3.3Å
342	L	77.4	Confident	74.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-47.2	172.7	177.9	62.9	0	0	0	111.5	M267 C338 A345 R346 L455 Q458 I459	M267-L342 HydrophobicContact CE-CB 4.27Å; M267-L342 HydrophobicContact CE-CD1 4.02Å; M267-L342 HydrophobicContact SD-CB 4.49Å; M267-L342 HydrophobicContact SD-CD1 4.49Å; C338-L342 VanDerWaalsContact O-CB 3.26Å; C338-L342 WeakPolarHBondContact O-CB 3.41Å; C338-L342 PolarHBondContact O-N 3.13Å; L342-A345 WeakPolarHBondContact O-CB 3.47Å; L342-A345 PolarHBondContact O-N 2.98Å; L342-R346 PolarHBondContact O-N 3.06Å; L342-L455 HydrophobicContact CD2-CD1 4.08Å; L342-Q458 HydrophobicContact CD2-CB 3.94Å; L342-I459 HydrophobicContact CD2-CG1 4.07Å
343	N	75.5	Confident	73.7	Confident	30 Å²	30	51.2 Å²	51.2	16%	0.16	26%	0.256	C	S	.	.	H	α-helix	trans	-71.9	-32.4	178.1	-67.2	-65.7	0	0	0	112.1	E339 Y340 A345 R346 Q347 Q458	E339-N343 PolarHBondContact O-N 3.35Å; E339-N343 VanDerWaalsContact O-N 3.13Å; E339-N343 PolarHBondContact O-ND2 2.98Å; Y340-N343 PolarHBondContact O-N 3.11Å; N343-A345 VanDerWaalsContact C-N 3.31Å; N343-A345 PolarHBondContact O-N 3.38Å; N343-R346 PolarHBondContact O-N 3.29Å; N343-R346 PolarHBondContact OD1-NH1 2.64Å; N343-Q347 WeakPolarHBondContact O-CG 3.21Å; N343-Q347 PolarHBondContact O-N 3.42Å; N343-Q347 VanDerWaalsContact O-N 3.1Å; N343-Q458 PolarHBondContact ND2-OE1 3.22Å
344	K	76.6	Confident	72.7	Confident	55 Å²	55	49.9 Å²	49.9	24%	0.239	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-35.7	167.1	-91.7	-71	-173.8	-176.6	0	113	I263 Y340 W341 A348	I263-K344 HydrophobicContact CD1-CB 4.43Å; I263-K344 HydrophobicContact CG2-CB 4.2Å; Y340-K344 HydrophobicContact CE1-CG 4.08Å; Y340-K344 HydrophobicContact CE2-CG 4.19Å; Y340-K344 WeakPolarHBondContact O-CB 3.49Å; Y340-K344 PolarHBondContact O-N 3.25Å; Y340-K344 VanDerWaalsContact OH-CE 3.32Å; Y340-K344 WeakPolarHBondContact OH-CE 3.22Å; W341-K344 HydrophobicContact CE3-CB 4.13Å; W341-K344 HydrophobicContact CE3-CG 4.37Å; W341-K344 HydrophobicContact CZ3-CG 4.46Å; W341-K344 PolarHBondContact O-N 3.01Å; K344-A348 WeakPolarHBondContact O-CB 3.45Å; K344-A348 PolarHBondContact O-N 2.99Å
345	A	72.8	Confident	71.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-49.2	177	0	0	0	0	0	110.7	F260 I263 W341 L342 N343 Q347 A348 C349 L358	F260-A345 HydrophobicContact CE2-CB 4.08Å; I263-A345 HydrophobicContact CG2-CB 3.81Å; W341-A345 WeakPolarHBondContact O-CB 3.47Å; W341-A345 PolarHBondContact O-N 3.3Å; L342-A345 WeakPolarHBondContact O-CB 3.47Å; L342-A345 PolarHBondContact O-N 2.98Å; N343-A345 VanDerWaalsContact C-N 3.31Å; N343-A345 PolarHBondContact O-N 3.38Å; A345-Q347 VanDerWaalsContact C-N 3.31Å; A345-Q347 PolarHBondContact O-N 3.24Å; A345-A348 PolarHBondContact O-N 2.94Å; A345-C349 PolarHBondContact O-N 3.21Å; A345-C349 PolarHBondContact O-SG 3.11Å; A345-C349 VanDerWaalsContact O-SG 3.38Å; A345-L358 HydrophobicContact CB-CD2 3.82Å
346	R	72.2	Confident	70.9	Confident	52 Å²	52	51.6 Å²	51.6	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-50.8	-48.3	173.4	-72.4	173.9	167.2	163	-4.1	112.4	L342 N343 A348 C349 Q458 S461 E462	L342-R346 PolarHBondContact O-N 3.06Å; N343-R346 PolarHBondContact O-N 3.29Å; N343-R346 PolarHBondContact OD1-NH1 2.64Å; R346-A348 PolarHBondContact O-N 2.87Å; R346-C349 PolarHBondContact O-N 2.72Å; R346-Q458 PolarHBondContact NH2-O 2.96Å; R346-S461 PolarHBondContact NH2-OG 3.09Å; R346-E462 IonicContact CZ-OE1 3.59Å; R346-E462 IonicContact NE-OE1 3.42Å; R346-E462 PolarHBondContact NE-OE1 3.16Å; R346-E462 IonicContact NH2-OE1 2.78Å; R346-E462 PolarHBondContact NH2-OE1 3.49Å
347	Q	70.7	Confident	70.2	Confident	98 Å²	98	53.2 Å²	53.2	46%	0.458	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.3	179.7	-70.2	174.5	1.8	0	0	114.9	N343 A345 E737	N343-Q347 WeakPolarHBondContact O-CG 3.21Å; N343-Q347 PolarHBondContact O-N 3.42Å; N343-Q347 VanDerWaalsContact O-N 3.1Å; A345-Q347 VanDerWaalsContact C-N 3.31Å; A345-Q347 PolarHBondContact O-N 3.24Å; Q347-E737 PolarHBondContact NE2-OE1 3.39Å
348	A	66.9	Low	69.4	Low	20 Å²	20	50.6 Å²	50.6	17%	0.165	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-9	179.4	0	0	0	0	0	113.6	F260 I263 K344 A345 R346 E350	F260-A348 HydrophobicContact CD2-CB 4.3Å; I263-A348 HydrophobicContact CD1-CB 3.72Å; K344-A348 WeakPolarHBondContact O-CB 3.45Å; K344-A348 PolarHBondContact O-N 2.99Å; A345-A348 PolarHBondContact O-N 2.94Å; R346-A348 PolarHBondContact O-N 2.87Å; A348-E350 PolarHBondContact O-N 3.37Å
349	C	62.2	Low	68.4	Low	31 Å²	31	50.7 Å²	50.7	21%	0.209	26%	0.259	C	S	.	.			trans	-80.6	104.1	175.2	-75.4	0	0	0	0	111.5	F260 A345 R346	F260-C349 WeakPolarHBondContact CE2-SG 3.25Å; A345-C349 PolarHBondContact O-N 3.21Å; A345-C349 PolarHBondContact O-SG 3.11Å; A345-C349 VanDerWaalsContact O-SG 3.38Å; R346-C349 PolarHBondContact O-N 2.72Å
350	E	54.3	Low	67.7	Low	145 Å²	145	51.5 Å²	51.5	68%	0.678	27%	0.27	S	S	*	.	S	Bend	trans	-77.7	-12.6	161.8	-64.5	-169.3	161.7	0	0	112.2	A348	A348-E350 PolarHBondContact O-N 3.37Å
351	N	56.3	Low	66.8	Low	105 Å²	105	48 Å²	48	56%	0.561	26%	0.259	S	S	*	.	S	Bend	trans	-130.9	133.1	178.7	-103.9	-47.2	0	0	0	112.2	A353 D354	N351-A353 PolarHBondContact O-N 3.26Å; N351-D354 PolarHBondContact O-N 3.11Å
352	Q	62.1	Low	66.1	Low	101 Å²	101	47 Å²	47	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-27.8	175.2	-172.5	65.4	44.7	0	0	112.4	D354 L355 N356	Q352-D354 VanDerWaalsContact C-N 3.34Å; Q352-D354 PolarHBondContact O-N 3.15Å; Q352-L355 PolarHBondContact O-N 3.23Å; Q352-N356 PolarHBondContact NE2-OD1 2.99Å; Q352-N356 VanDerWaalsContact NE2-OD1 3.12Å; Q352-N356 WeakPolarHBondContact O-CB 3.5Å; Q352-N356 PolarHBondContact O-N 3.39Å; Q352-N356 PolarHBondContact O-OD1 3.3Å; Q352-N356 VanDerWaalsContact O-OD1 3.14Å
353	A	57.6	Low	65.4	Low	56 Å²	56	47.8 Å²	47.8	46%	0.463	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-37.6	-178.2	0	0	0	0	0	113.5	N351 N356 V357	N351-A353 PolarHBondContact O-N 3.26Å; A353-N356 WeakPolarHBondContact O-CB 3.31Å; A353-N356 PolarHBondContact O-N 3.38Å; A353-V357 PolarHBondContact O-N 3.05Å; A353-V357 VanDerWaalsContact O-N 3.14Å
354	D	63.3	Low	64.9	Low	73 Å²	73	51.6 Å²	51.6	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-72.9	-36.8	-179.7	-59.5	-58.5	0	0	0	111.2	F260 N351 Q352 N356 V357 L358	F260-D354 HydrophobicContact CD1-CB 4.18Å; F260-D354 HydrophobicContact CE1-CB 3.76Å; F260-D354 HydrophobicContact CZ-CB 4.12Å; N351-D354 PolarHBondContact O-N 3.11Å; Q352-D354 VanDerWaalsContact C-N 3.34Å; Q352-D354 PolarHBondContact O-N 3.15Å; D354-N356 VanDerWaalsContact C-N 3.31Å; D354-N356 PolarHBondContact O-N 3.01Å; D354-V357 PolarHBondContact O-N 2.66Å; D354-L358 PolarHBondContact O-N 2.81Å; D354-L358 VanDerWaalsContact O-N 3.16Å
355	L	65.9	Low	63.8	Low	8 Å²	8	52.1 Å²	52.1	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-33.7	170.8	-165.4	60.5	0	0	0	111.9	Q352 L358 T359 E462	Q352-L355 PolarHBondContact O-N 3.23Å; L355-L358 HydrophobicContact CD1-CD2 4.14Å; L355-L358 PolarHBondContact O-N 3.3Å; L355-T359 WeakPolarHBondContact O-CB 3.42Å; L355-T359 WeakPolarHBondContact O-CG2 3.23Å; L355-T359 PolarHBondContact O-N 3.12Å; L355-T359 PolarHBondContact O-OG1 2.95Å; L355-E462 WeakPolarHBondContact CD2-OE2 3.48Å
356	N	64	Low	63	Low	35 Å²	35	58 Å²	58	19%	0.187	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-36.1	175.9	-70.2	-2.4	0	0	0	112.3	Q352 A353 D354 T359 A360 H464	Q352-N356 PolarHBondContact NE2-OD1 2.99Å; Q352-N356 VanDerWaalsContact NE2-OD1 3.12Å; Q352-N356 WeakPolarHBondContact O-CB 3.5Å; Q352-N356 PolarHBondContact O-N 3.39Å; Q352-N356 PolarHBondContact O-OD1 3.3Å; Q352-N356 VanDerWaalsContact O-OD1 3.14Å; A353-N356 WeakPolarHBondContact O-CB 3.31Å; A353-N356 PolarHBondContact O-N 3.38Å; D354-N356 VanDerWaalsContact C-N 3.31Å; D354-N356 PolarHBondContact O-N 3.01Å; N356-T359 WeakPolarHBondContact CA-OG1 3.21Å; N356-T359 PolarHBondContact O-OG1 3.18Å; N356-A360 VanDerWaalsContact O-CB 3.29Å; N356-A360 WeakPolarHBondContact O-CB 3.48Å; N356-A360 PolarHBondContact O-N 3.27Å; N356-H464 VanDerWaalsContact CB-CD2 3.41Å; N356-H464 WeakPolarHBondContact CB-CD2 3.44Å; N356-H464 WeakPolarHBondContact OD1-CB 3.5Å; N356-H464 PolarHBondContact OD1-CD2 3.34Å
357	V	67.3	Low	62.6	Low	89 Å²	89	55.7 Å²	55.7	54%	0.539	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-46	172.6	175	0	0	0	0	110.9	A353 D354 T359 A360	A353-V357 PolarHBondContact O-N 3.05Å; A353-V357 VanDerWaalsContact O-N 3.14Å; D354-V357 PolarHBondContact O-N 2.66Å; V357-T359 VanDerWaalsContact C-N 3.35Å; V357-T359 PolarHBondContact O-N 3.29Å; V357-A360 PolarHBondContact O-N 3.27Å
358	L	66.3	Low	62.6	Low	1 Å²	1	51.2 Å²	51.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-44.8	177.4	-174	70.5	0	0	0	111.8	F260 E264 M267 A345 D354 L355	F260-L358 HydrophobicContact CZ-CB 4.45Å; F260-L358 HydrophobicContact CZ-CD2 4.28Å; E264-L358 HydrophobicContact CB-CD1 4.16Å; E264-L358 HydrophobicContact CG-CD1 3.84Å; M267-L358 HydrophobicContact SD-CD1 4.19Å; M267-L358 HydrophobicContact SD-CD2 3.85Å; M267-L358 HydrophobicContact SD-CG 4.26Å; A345-L358 HydrophobicContact CB-CD2 3.82Å; D354-L358 PolarHBondContact O-N 2.81Å; D354-L358 VanDerWaalsContact O-N 3.16Å; L355-L358 HydrophobicContact CD1-CD2 4.14Å; L355-L358 PolarHBondContact O-N 3.3Å
359	T	63.2	Low	62.8	Low	2 Å²	2	50.7 Å²	50.7	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-73	-34.3	-179.1	49.2	0	0	0	0	113.1	L355 N356 V357 D361 L362 I363 E462	L355-T359 WeakPolarHBondContact O-CB 3.42Å; L355-T359 WeakPolarHBondContact O-CG2 3.23Å; L355-T359 PolarHBondContact O-N 3.12Å; L355-T359 PolarHBondContact O-OG1 2.95Å; N356-T359 WeakPolarHBondContact CA-OG1 3.21Å; N356-T359 PolarHBondContact O-OG1 3.18Å; V357-T359 VanDerWaalsContact C-N 3.35Å; V357-T359 PolarHBondContact O-N 3.29Å; T359-D361 PolarHBondContact O-N 2.83Å; T359-L362 HydrophobicContact CG2-CD1 4.32Å; T359-L362 VanDerWaalsContact O-CB 3.32Å; T359-L362 WeakPolarHBondContact O-CB 3.49Å; T359-L362 PolarHBondContact O-N 2.81Å; T359-I363 WeakPolarHBondContact O-CG1 3.4Å; T359-E462 HydrophobicContact CG2-CB 4.26Å; T359-E462 HydrophobicContact CG2-CG 3.97Å
360	A	64.8	Low	63.1	Low	41 Å²	41	52.2 Å²	52.2	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-29.6	175.9	0	0	0	0	0	113.4	N356 V357 L362	N356-A360 VanDerWaalsContact O-CB 3.29Å; N356-A360 WeakPolarHBondContact O-CB 3.48Å; N356-A360 PolarHBondContact O-N 3.27Å; V357-A360 PolarHBondContact O-N 3.27Å; A360-L362 VanDerWaalsContact C-N 3.32Å
361	D	64.2	Low	63.8	Low	43 Å²	43	46.1 Å²	46.1	23%	0.23	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-26.8	171.9	-86.2	-23.3	0	0	0	113.2	K268 T359 K364	K268-D361 WeakPolarHBondContact CE-OD2 3.46Å; K268-D361 IonicContact NZ-OD2 2.74Å; K268-D361 PolarHBondContact NZ-OD2 3.33Å; T359-D361 PolarHBondContact O-N 2.83Å; D361-K364 VanDerWaalsContact OD1-CE 3.3Å; D361-K364 WeakPolarHBondContact OD1-CE 3.49Å; D361-K364 IonicContact OD1-NZ 3.53Å; D361-K364 PolarHBondContact OD1-NZ 3.18Å
362	L	65.5	Low	64.7	Low	2 Å²	2	41.3 Å²	41.3	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-27.9	-178.7	-50.9	179.3	0	0	0	112.8	M267 M271 T359 A360 L368 L369 I459 L465	M267-L362 HydrophobicContact CE-CD1 4.4Å; M267-L362 HydrophobicContact CE-CD2 4.17Å; M271-L362 HydrophobicContact CE-CD2 3.7Å; M271-L362 HydrophobicContact SD-CD2 3.73Å; T359-L362 HydrophobicContact CG2-CD1 4.32Å; T359-L362 VanDerWaalsContact O-CB 3.32Å; T359-L362 WeakPolarHBondContact O-CB 3.49Å; T359-L362 PolarHBondContact O-N 2.81Å; A360-L362 VanDerWaalsContact C-N 3.32Å; L362-L368 HydrophobicContact CD2-CB 3.85Å; L362-L368 HydrophobicContact CD2-CD2 3.9Å; L362-L369 VanDerWaalsContact O-CB 3.23Å; L362-L369 WeakPolarHBondContact O-CB 3.28Å; L362-L369 PolarHBondContact O-N 2.81Å; L362-I459 HydrophobicContact CD1-CG1 4.34Å; L362-I459 HydrophobicContact CD1-CG2 3.9Å; L362-L465 HydrophobicContact CB-CD1 4.34Å; L362-L465 HydrophobicContact CD1-CD1 4.48Å
363	I	61.9	Low	65.1	Low	16 Å²	16	36.5 Å²	36.5	8%	0.082	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	8.4	-174.8	-24.9	171.5	0	0	0	113.3	T359 L369 L465 I468 L469	T359-I363 WeakPolarHBondContact O-CG1 3.4Å; I363-L369 HydrophobicContact CG2-CD2 4.31Å; I363-L465 HydrophobicContact CD1-CB 4.27Å; I363-L465 HydrophobicContact CD1-CD1 3.99Å; I363-L465 HydrophobicContact CD1-CG 3.65Å; I363-L465 HydrophobicContact CG1-CD1 3.68Å; I363-L465 HydrophobicContact CG1-CG 3.82Å; I363-I468 HydrophobicContact CD1-CB 3.75Å; I363-I468 HydrophobicContact CD1-CD1 3.71Å; I363-I468 HydrophobicContact CD1-CG1 4.34Å; I363-I468 HydrophobicContact CD1-CG2 3.65Å; I363-L469 HydrophobicContact CG2-CD2 3.89Å; I363-L469 HydrophobicContact CG2-CG 4.48Å
364	K	64	Low	65.6	Low	110 Å²	110	36.1 Å²	36.1	48%	0.478	20%	0.203	S	C	.	.	S	Bend	trans	-70.6	149.7	169.4	-69.9	173.7	177	173.6	0	108.9	D361 D366 G367	D361-K364 VanDerWaalsContact OD1-CE 3.3Å; D361-K364 WeakPolarHBondContact OD1-CE 3.49Å; D361-K364 IonicContact OD1-NZ 3.53Å; D361-K364 PolarHBondContact OD1-NZ 3.18Å; K364-D366 VanDerWaalsContact C-N 3.29Å; K364-D366 PolarHBondContact O-N 3.06Å; K364-G367 VanDerWaalsContact O-CA 3.23Å; K364-G367 WeakPolarHBondContact O-CA 3.36Å; K364-G367 PolarHBondContact O-N 2.8Å
365	P	53.9	Low	65.7	Low	66 Å²	66	34.4 Å²	34.4	43%	0.429	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-40.3	179.8	22.9	-32.3	0	0	0	111.7	G367 E370	P365-G367 PolarHBondContact O-N 3.27Å; P365-G367 VanDerWaalsContact O-N 3.09Å; P365-E370 VanDerWaalsContact O-CB 3.25Å; P365-E370 WeakPolarHBondContact O-CB 3.39Å; P365-E370 VanDerWaalsContact O-CD 3.3Å
366	D	56.7	Low	65.7	Low	124 Å²	124	34 Å²	34	66%	0.663	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	11.1	172.9	-39.8	-82.2	0	0	0	113.2	R275 K364	R275-D366 VanDerWaalsContact CZ-O 3.3Å; R275-D366 PolarHBondContact NE-O 3.18Å; R275-D366 PolarHBondContact NH2-O 2.94Å; K364-D366 VanDerWaalsContact C-N 3.29Å; K364-D366 PolarHBondContact O-N 3.06Å
367	G	64.3	Low	65.6	Low	3 Å²	3	34.3 Å²	34.3	3%	0.031	19%	0.19	C	C	.	.	S	Bend	trans	-86.8	-179.5	-166.8	0	0	0	0	0	115.2	K364 P365 L369 T371	K364-G367 VanDerWaalsContact O-CA 3.23Å; K364-G367 WeakPolarHBondContact O-CA 3.36Å; K364-G367 PolarHBondContact O-N 2.8Å; P365-G367 PolarHBondContact O-N 3.27Å; P365-G367 VanDerWaalsContact O-N 3.09Å; G367-L369 VanDerWaalsContact C-N 3.34Å; G367-L369 PolarHBondContact O-N 3.44Å; G367-T371 WeakPolarHBondContact O-CB 3.41Å; G367-T371 PolarHBondContact O-N 2.71Å; G367-T371 VanDerWaalsContact O-N 3.07Å; G367-T371 PolarHBondContact O-OG1 3.16Å
368	L	68.9	Low	65.1	Low	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-38.7	-179.3	-173.6	64.1	0	0	0	112	M267 M271 L274 L362 E370 T371 I372 I459	M267-L368 HydrophobicContact CE-CD2 4.48Å; M271-L368 HydrophobicContact CB-CD1 4.39Å; M271-L368 HydrophobicContact CE-CB 4.22Å; M271-L368 HydrophobicContact CG-CB 4.5Å; M271-L368 HydrophobicContact CG-CD1 3.97Å; M271-L368 HydrophobicContact CG-CD2 3.86Å; M271-L368 HydrophobicContact CG-CG 4.31Å; M271-L368 HydrophobicContact SD-CD2 4.19Å; L274-L368 HydrophobicContact CD2-CD1 3.87Å; L362-L368 HydrophobicContact CD2-CB 3.85Å; L362-L368 HydrophobicContact CD2-CD2 3.9Å; L368-E370 PolarHBondContact O-N 2.86Å; L368-T371 PolarHBondContact O-N 3.12Å; L368-I372 HydrophobicContact CD1-CD1 3.78Å; L368-I372 HydrophobicContact CD1-CG1 3.95Å; L368-I372 HydrophobicContact CD2-CD1 4.07Å; L368-I372 HydrophobicContact CG-CD1 3.61Å; L368-I372 HydrophobicContact CG-CG1 4.14Å; L368-I372 WeakPolarHBondContact O-CB 3.23Å; L368-I372 WeakPolarHBondContact O-CG1 3.47Å; L368-I372 PolarHBondContact O-N 3.12Å; L368-I459 HydrophobicContact CD2-CD1 3.69Å; L368-I459 HydrophobicContact CG-CD1 4.29Å
369	L	72	Confident	64.4	Low	10 Å²	10	39.3 Å²	39.3	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-48.2	-177.4	-165.3	82.4	0	0	0	111.2	L362 I363 G367 A373 L456 I459 L460 L553	L362-L369 VanDerWaalsContact O-CB 3.23Å; L362-L369 WeakPolarHBondContact O-CB 3.28Å; L362-L369 PolarHBondContact O-N 2.81Å; I363-L369 HydrophobicContact CG2-CD2 4.31Å; G367-L369 VanDerWaalsContact C-N 3.34Å; G367-L369 PolarHBondContact O-N 3.44Å; L369-A373 WeakPolarHBondContact O-CB 3.49Å; L369-A373 PolarHBondContact O-N 3.18Å; L369-L456 HydrophobicContact CD1-CD1 3.39Å; L369-L456 HydrophobicContact CG-CD1 4.17Å; L369-I459 HydrophobicContact CD1-CG2 3.82Å; L369-L460 HydrophobicContact CD1-CD2 4.24Å; L369-L460 HydrophobicContact CD1-CG 4.46Å; L369-L553 HydrophobicContact CD2-CD2 4.24Å; L369-L553 HydrophobicContact CG-CD2 4.4Å
370	E	68.6	Low	64	Low	62 Å²	62	41.1 Å²	41.1	29%	0.29	22%	0.222	S	C	.	.	H	α-helix	trans	-72	-36.6	178.2	-166.7	161.1	146.8	0	0	111.6	P365 L368 A373 S374	P365-E370 VanDerWaalsContact O-CB 3.25Å; P365-E370 WeakPolarHBondContact O-CB 3.39Å; P365-E370 VanDerWaalsContact O-CD 3.3Å; L368-E370 PolarHBondContact O-N 2.86Å; E370-A373 PolarHBondContact O-N 3.48Å; E370-S374 WeakPolarHBondContact O-CB 3.35Å; E370-S374 PolarHBondContact O-N 3.1Å; E370-S374 PolarHBondContact O-OG 3.14Å
371	T	69.3	Low	63.1	Low	18 Å²	18	44 Å²	44	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-52.4	174.6	-57.5	0	0	0	0	111.4	S278 G367 L368 S374 R375	S278-T371 WeakPolarHBondContact OG-CG2 3.22Å; G367-T371 WeakPolarHBondContact O-CB 3.41Å; G367-T371 PolarHBondContact O-N 2.71Å; G367-T371 VanDerWaalsContact O-N 3.07Å; G367-T371 PolarHBondContact O-OG1 3.16Å; L368-T371 PolarHBondContact O-N 3.12Å; T371-S374 PolarHBondContact O-N 3Å; T371-S374 PolarHBondContact O-OG 3.48Å; T371-R375 PolarHBondContact O-N 2.98Å
372	I	73.8	Confident	61.9	Low	3 Å²	3	45.4 Å²	45.4	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-47.8	179.1	-66.4	175.3	0	0	0	110.9	L274 L368 S374 R375 L376 S452 L455 L456 I459	L274-I372 HydrophobicContact CD2-CG1 4.1Å; L368-I372 HydrophobicContact CD1-CD1 3.78Å; L368-I372 HydrophobicContact CD1-CG1 3.95Å; L368-I372 HydrophobicContact CD2-CD1 4.07Å; L368-I372 HydrophobicContact CG-CD1 3.61Å; L368-I372 HydrophobicContact CG-CG1 4.14Å; L368-I372 WeakPolarHBondContact O-CB 3.23Å; L368-I372 WeakPolarHBondContact O-CG1 3.47Å; L368-I372 PolarHBondContact O-N 3.12Å; I372-S374 VanDerWaalsContact C-N 3.33Å; I372-S374 PolarHBondContact O-N 3.04Å; I372-R375 WeakPolarHBondContact O-CB 3.5Å; I372-R375 PolarHBondContact O-N 2.99Å; I372-R375 VanDerWaalsContact O-N 3.11Å; I372-L376 HydrophobicContact CG2-CD1 4.14Å; I372-L376 PolarHBondContact O-N 2.91Å; I372-S452 VanDerWaalsContact CG2-O 3.25Å; I372-S452 WeakPolarHBondContact CG2-O 3.41Å; I372-L455 HydrophobicContact CD1-CB 4.45Å; I372-L455 HydrophobicContact CD1-CD2 3.49Å; I372-L455 VanDerWaalsContact CD1-CD2 3.49Å; I372-L455 HydrophobicContact CD1-CG 3.7Å; I372-L456 HydrophobicContact CG2-CB 4.04Å; I372-I459 HydrophobicContact CD1-CD1 3.89Å
373	A	71.3	Confident	60.4	Low	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-38.2	180	0	0	0	0	0	112	L369 E370 R375 L376 I377 L456 L553	L369-A373 WeakPolarHBondContact O-CB 3.49Å; L369-A373 PolarHBondContact O-N 3.18Å; E370-A373 PolarHBondContact O-N 3.48Å; A373-R375 PolarHBondContact O-N 3.21Å; A373-L376 PolarHBondContact O-N 3.09Å; A373-L376 VanDerWaalsContact O-N 3.15Å; A373-I377 HydrophobicContact CB-CD1 4.22Å; A373-I377 VanDerWaalsContact O-CB 3.29Å; A373-I377 WeakPolarHBondContact O-CB 3.22Å; A373-I377 VanDerWaalsContact O-CD1 3.31Å; A373-I377 WeakPolarHBondContact O-CD1 3.42Å; A373-I377 WeakPolarHBondContact O-CG1 3.49Å; A373-I377 PolarHBondContact O-N 3.07Å; A373-L456 HydrophobicContact CB-CD2 4.44Å; A373-L553 HydrophobicContact CB-CD1 3.61Å; A373-L553 HydrophobicContact CB-CD2 3.89Å; A373-L553 HydrophobicContact CB-CG 3.77Å
374	S	68	Low	58.9	Low	48 Å²	48	52 Å²	52	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-24.7	175.8	79.1	0	0	0	0	113.6	E370 T371 I372 K378	E370-S374 WeakPolarHBondContact O-CB 3.35Å; E370-S374 PolarHBondContact O-N 3.1Å; E370-S374 PolarHBondContact O-OG 3.14Å; T371-S374 PolarHBondContact O-N 3Å; T371-S374 PolarHBondContact O-OG 3.48Å; I372-S374 VanDerWaalsContact C-N 3.33Å; I372-S374 PolarHBondContact O-N 3.04Å; S374-K378 WeakPolarHBondContact O-CG 3.38Å
375	R	66	Low	57.2	Low	37 Å²	37	55.8 Å²	55.8	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-81.8	-42.8	174	-76	-79.6	166	150.4	-15.9	111.6	S278 R327 E331 T371 I372 A373 I377 K378	S278-R375 PolarHBondContact O-NH2 3.29Å; R327-R375 VanDerWaalsContact NH2-NH2 3.13Å; E331-R375 WeakPolarHBondContact OE1-CD 3.22Å; E331-R375 IonicContact OE1-CZ 2.67Å; E331-R375 IonicContact OE1-NE 3.95Å; E331-R375 IonicContact OE1-NH1 2.66Å; E331-R375 PolarHBondContact OE1-NH1 2.96Å; E331-R375 IonicContact OE2-CZ 3.68Å; E331-R375 IonicContact OE2-NH1 3.61Å; E331-R375 PolarHBondContact OE2-NH1 3.33Å; T371-R375 PolarHBondContact O-N 2.98Å; I372-R375 WeakPolarHBondContact O-CB 3.5Å; I372-R375 PolarHBondContact O-N 2.99Å; I372-R375 VanDerWaalsContact O-N 3.11Å; A373-R375 PolarHBondContact O-N 3.21Å; R375-I377 VanDerWaalsContact C-N 3.28Å; R375-I377 PolarHBondContact O-N 3.34Å; R375-K378 PolarHBondContact O-N 3.01Å
376	L	66.7	Low	55.8	Low	1 Å²	1	56.5 Å²	56.5	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-34.2	171.8	-71.5	172.2	0	0	0	113.5	I372 A373 K378 V449 A453 L456 Y574	I372-L376 HydrophobicContact CG2-CD1 4.14Å; I372-L376 PolarHBondContact O-N 2.91Å; A373-L376 PolarHBondContact O-N 3.09Å; A373-L376 VanDerWaalsContact O-N 3.15Å; L376-K378 VanDerWaalsContact C-N 3.31Å; L376-K378 PolarHBondContact O-N 3.28Å; L376-V449 HydrophobicContact CD2-CG1 4.01Å; L376-V449 WeakPolarHBondContact CD2-O 3.17Å; L376-A453 HydrophobicContact CD1-CB 4.47Å; L376-A453 HydrophobicContact CD2-CB 3.91Å; L376-L456 HydrophobicContact CD1-CB 4.17Å; L376-L456 HydrophobicContact CD1-CD2 3.48Å; L376-L456 VanDerWaalsContact CD1-CD2 3.48Å; L376-L456 HydrophobicContact CD1-CG 4.47Å; L376-Y574 WeakPolarHBondContact CB-OH 3.23Å; L376-Y574 HydrophobicContact CD2-CE2 4.31Å; L376-Y574 PolarHBondContact O-OH 3.01Å
377	I	60.7	Low	54.4	Low	41 Å²	41	55.9 Å²	55.9	21%	0.21	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.5	-176.2	-67.9	165	0	0	0	112.3	A373 R375 L553 N556 K560	A373-I377 HydrophobicContact CB-CD1 4.22Å; A373-I377 VanDerWaalsContact O-CB 3.29Å; A373-I377 WeakPolarHBondContact O-CB 3.22Å; A373-I377 VanDerWaalsContact O-CD1 3.31Å; A373-I377 WeakPolarHBondContact O-CD1 3.42Å; A373-I377 WeakPolarHBondContact O-CG1 3.49Å; A373-I377 PolarHBondContact O-N 3.07Å; R375-I377 VanDerWaalsContact C-N 3.28Å; R375-I377 PolarHBondContact O-N 3.34Å; I377-L553 HydrophobicContact CD1-CD1 3.97Å; I377-L553 HydrophobicContact CD1-CG 4.5Å; I377-N556 HydrophobicContact CB-CB 4.39Å; I377-N556 HydrophobicContact CD1-CB 3.52Å; I377-N556 HydrophobicContact CG1-CB 3.64Å; I377-N556 HydrophobicContact CG2-CB 3.84Å; I377-K560 WeakPolarHBondContact O-CE 3.41Å
378	K	58	Low	52.4	Low	120 Å²	120	62.4 Å²	62.4	52%	0.522	36%	0.359	S	S	.	.	S	Bend	trans	-81.5	149	174.3	-76.5	176.9	-178	-173.1	0	111.7	S374 R375 L376 Y564	S374-K378 WeakPolarHBondContact O-CG 3.38Å; R375-K378 PolarHBondContact O-N 3.01Å; L376-K378 VanDerWaalsContact C-N 3.31Å; L376-K378 PolarHBondContact O-N 3.28Å; K378-Y564 PolarHBondContact O-OH 3.38Å
379	P	51.4	Low	50.4	Low	75 Å²	75	68.7 Å²	68.7	49%	0.487	39%	0.392	S	S	.	.			trans	-68.8	151.9	173.3	30.7	-34.7	0	0	0	110.6	E381 Y564	P379-E381 PolarHBondContact O-N 2.74Å; P379-E381 VanDerWaalsContact O-N 3.13Å; P379-Y564 WeakPolarHBondContact CA-OH 2.87Å
380	I	53.8	Low	48.1	Very low	40 Å²	40	74.1 Å²	74.1	21%	0.205	42%	0.42	C	S	.	.			trans	-65.3	109.5	160.3	-65.8	171	0	0	0	106.9	S382 V449 Y564 I570	I380-S382 VanDerWaalsContact C-N 3.32Å; I380-S382 PolarHBondContact O-N 2.74Å; I380-V449 HydrophobicContact CG1-CG2 4.45Å; I380-Y564 HydrophobicContact CD1-CE1 3.96Å; I380-Y564 HydrophobicContact CG1-CE1 4.2Å; I380-Y564 PolarHBondContact N-OH 3.1Å; I380-Y564 VanDerWaalsContact N-OH 3.15Å; I380-I570 HydrophobicContact CD1-CD1 3.89Å
381	E	45.4	Very low	46	Very low	101 Å²	101	78.8 Å²	78.8	47%	0.472	45%	0.446	S	S	.	.			trans	-67.6	88.5	175.9	-70.8	179.6	-170	0	0	110.1	P379 T383	P379-E381 PolarHBondContact O-N 2.74Å; P379-E381 VanDerWaalsContact O-N 3.13Å; E381-T383 PolarHBondContact O-N 2.74Å
382	S	39.3	Very low	43.8	Very low	72 Å²	72	82.8 Å²	82.8	50%	0.503	47%	0.471	S	S	.	.			trans	-67.2	115.7	173.3	48.1	0	0	0	0	109.6	I380 S384	I380-S382 VanDerWaalsContact C-N 3.32Å; I380-S382 PolarHBondContact O-N 2.74Å; S382-S384 PolarHBondContact O-N 3.46Å
383	T	35.3	Very low	41.5	Very low	70 Å²	70	92 Å²	92	43%	0.429	51%	0.514	S	S	.	.	S	Bend	trans	-74.6	34.6	178.3	44.1	0	0	0	0	113.1	E381	E381-T383 PolarHBondContact O-N 2.74Å
384	S	30.5	Very low	39.3	Very low	87 Å²	87	99.6 Å²	99.6	61%	0.608	56%	0.555	S	S	*	*			trans	-116.2	38.8	-176.4	68.1	0	0	0	0	112.6	S382 A386	S382-S384 PolarHBondContact O-N 3.46Å; S384-A386 PolarHBondContact O-N 3.27Å
385	E	26.6	Very low	37.3	Very low	189 Å²	189	104.5 Å²	104.5	88%	0.883	58%	0.576	S	S	*	*			trans	-67.9	89.3	149.6	-74	-166.6	151.6	0	0	107.6
386	A	25.7	Very low	35.4	Very low	82 Å²	82	111.2 Å²	111.2	68%	0.678	61%	0.608	S	S	*	*			trans	-58.7	131	158.9	0	0	0	0	0	107	S384 T388	S384-A386 PolarHBondContact O-N 3.27Å; A386-T388 PolarHBondContact O-N 3.36Å
387	P	25.8	Very low	33.5	Very low	111 Å²	111	118.7 Å²	118.7	72%	0.721	64%	0.643	S	S	*	*			trans	-61.5	118.5	-176.2	24.8	-33.5	0	0	0	109	I389	P387-I389 VanDerWaalsContact C-N 3.31Å; P387-I389 PolarHBondContact O-N 3.29Å
388	T	24.1	Very low	32	Very low	139 Å²	139	125.3 Å²	125.3	85%	0.853	67%	0.673	S	S	*	*			trans	-60.7	99.2	162.8	28.3	0	0	0	0	107.3	A386 D390	A386-T388 PolarHBondContact O-N 3.36Å; T388-D390 PolarHBondContact O-N 2.92Å
389	I	25.4	Very low	30.4	Very low	137 Å²	137	130.4 Å²	130.4	70%	0.703	69%	0.691	S	S	*	*			trans	-67.2	92.1	167.9	-60.4	176.4	0	0	0	105.8	P387 L391	P387-I389 VanDerWaalsContact C-N 3.31Å; P387-I389 PolarHBondContact O-N 3.29Å; I389-L391 VanDerWaalsContact C-N 3.33Å; I389-L391 HydrophobicContact CG2-CG 4.31Å; I389-L391 PolarHBondContact O-N 3.23Å
390	D	23.8	Very low	29.1	Very low	123 Å²	123	131.6 Å²	131.6	66%	0.658	70%	0.701	S	S	*	*			trans	-62.5	100.5	165.5	-169	-21	0	0	0	106.9	T388 T392	T388-D390 PolarHBondContact O-N 2.92Å; D390-T392 PolarHBondContact O-N 2.62Å; D390-T392 VanDerWaalsContact O-N 3.12Å; D390-T392 WeakPolarHBondContact OD1-CB 3.3Å; D390-T392 PolarHBondContact OD1-N 3.41Å; D390-T392 PolarHBondContact OD1-OG1 2.98Å
391	L	24.5	Very low	27.8	Very low	160 Å²	160	136.8 Å²	136.8	84%	0.838	72%	0.724	S	S	*	*			trans	-87	33.3	-174.2	-135.5	162.6	0	0	0	110.5	I389	I389-L391 VanDerWaalsContact C-N 3.33Å; I389-L391 HydrophobicContact CG2-CG 4.31Å; I389-L391 PolarHBondContact O-N 3.23Å
392	T	23.3	Very low	27	Very low	103 Å²	103	139.2 Å²	139.2	63%	0.632	74%	0.74	S	S	*	*			trans	-136.8	141.4	-177.5	4.4	0	0	0	0	111.3	D390	D390-T392 PolarHBondContact O-N 2.62Å; D390-T392 VanDerWaalsContact O-N 3.12Å; D390-T392 WeakPolarHBondContact OD1-CB 3.3Å; D390-T392 PolarHBondContact OD1-N 3.41Å; D390-T392 PolarHBondContact OD1-OG1 2.98Å
393	Q	26.8	Very low	26.4	Very low	195 Å²	195	142.1 Å²	142.1	91%	0.911	75%	0.75	S	S	*	*			trans	78.6	65.4	179.6	-50.4	-169	18.8	0	0	117.2
394	N	24.7	Very low	26	Very low	160 Å²	160	145.4 Å²	145.4	86%	0.856	77%	0.765	S	S	*	*				-118.3	161.1	127.5	-150.3	-24	0	0	0	108
395	I	26.6	Very low	25.9	Very low	152 Å²	152	147.2 Å²	147.2	78%	0.779	77%	0.768	S	S	*	*			trans	75.3	101.4	-161.8	-49.7	166.2	0	0	0	113
396	H	26	Very low	25.8	Very low	178 Å²	178	146.9 Å²	146.9	82%	0.824	76%	0.763	S	S	*	*			trans	-109.7	168	146.8	-158.3	70.3	0	0	0	108
397	E	26.2	Very low	25.8	Very low	157 Å²	157	148.6 Å²	148.6	73%	0.734	77%	0.765	S	S	*	*			trans	64.8	109.4	-172.6	-50.4	-174.1	177.5	0	0	113.5
398	Q	27.9	Very low	25.6	Very low	180 Å²	180	148.1 Å²	148.1	84%	0.841	77%	0.765	S	S	*	*			cis	-147.6	144.6	48.6	-73.1	-179.3	-5.9	0	0	114.9
399	Y	24.4	Very low	25.6	Very low	227 Å²	227	149.6 Å²	149.6	89%	0.89	76%	0.762	S	S	*	*			trans	-10.4	136.8	163.4	-68.3	-91.1	0	0	0	121.8
400	S	24.9	Very low	25.7	Very low	101 Å²	101	149.9 Å²	149.9	71%	0.706	76%	0.763	S	S	*	*				135	116.6	111.9	-167.9	0	0	0	0	116.5
401	H	27	Very low	25.7	Very low	149 Å²	149	152 Å²	152	69%	0.69	77%	0.767	S	S	*	*			trans	42.4	120.2	147.7	-79.9	-77.2	0	0	0	121.8
402	N	27.6	Very low	25.9	Very low	152 Å²	152	151 Å²	151	81%	0.813	77%	0.768	S	S	*	*				-171.2	168.2	84.5	-99.9	-34.5	0	0	0	113
403	D	27.4	Very low	25.9	Very low	132 Å²	132	154 Å²	154	71%	0.706	78%	0.775	S	S	*	*			trans	-101.3	158.1	-165.6	-53.3	-79.4	0	0	0	115.8
404	D	27.4	Very low	25.8	Very low	139 Å²	139	150 Å²	150	74%	0.743	77%	0.768	S	S	*	*			trans	65.9	125	142.7	-89.8	-14.4	0	0	0	126
405	L	27.5	Very low	26	Very low	126 Å²	126	148.4 Å²	148.4	66%	0.66	77%	0.765	S	S	*	*			trans	69.1	114	131	-67.6	165.9	0	0	0	123.9
406	K	25.7	Very low	25.9	Very low	182 Å²	182	147.8 Å²	147.8	79%	0.791	76%	0.763	S	S	*	*			trans	55.8	132.1	138.6	-58.8	176.7	174	175.3	0	118.7
407	T	24.2	Very low	26.2	Very low	117 Å²	117	146.4 Å²	146.4	72%	0.718	76%	0.761	S	S	*	*				173.2	152.1	69.8	-48.8	0	0	0	0	108.8
408	S	22.9	Very low	26.3	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	76%	0.761	S	S	*	*			trans	61.2	157.8	158.5	49	0	0	0	0	118.5
409	E	23.8	Very low	26.1	Very low	170 Å²	170	143.5 Å²	143.5	79%	0.794	76%	0.761	S	S	*	*			cis	-165.4	-175.6	-18.3	-108.8	-178.1	165.8	0	0	108.6
410	I	27.4	Very low	26.4	Very low	143 Å²	143	136.2 Å²	136.2	73%	0.733	76%	0.755	S	S	*	*			trans	81.6	101.4	157	-67.9	147	0	0	0	119.7
411	F	23.3	Very low	26.3	Very low	166 Å²	166	140.1 Å²	140.1	73%	0.728	76%	0.759	S	S	*	*				37.3	132.2	129.5	-72.7	-88.6	0	0	0	123.4
412	T	28.7	Very low	26.5	Very low	140 Å²	140	139.4 Å²	139.4	86%	0.859	77%	0.768	S	S	*	*				-168.1	170.6	97.1	18.7	0	0	0	0	112.3
413	E	23.3	Very low	26.4	Very low	166 Å²	166	138 Å²	138	78%	0.776	76%	0.764	S	S	*	*			trans	-112.7	-178.8	-159.6	-59.1	165.6	107.3	0	0	115.9
414	S	25.4	Very low	26.2	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	77%	0.773	S	S	*	*			trans	81.2	150.7	164	82.3	0	0	0	0	117.4
415	T	28.7	Very low	26.2	Very low	127 Å²	127	142.4 Å²	142.4	78%	0.779	78%	0.777	S	S	*	*			cis	-148.1	168.5	-3.4	-16	0	0	0	0	111.4
416	D	25	Very low	25.9	Very low	138 Å²	138	144.7 Å²	144.7	74%	0.738	79%	0.789	S	S	*	*			trans	-76.7	153.9	-172.7	-46.5	-96.6	0	0	0	117.3
417	N	31	Very low	26	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	79%	0.79	S	S	*	*			trans	-177.1	129.1	136	-91.4	-60.3	0	0	0	106.9
418	V	27.7	Very low	26	Very low	120 Å²	120	141 Å²	141	73%	0.727	79%	0.791	S	S	*	*				73.1	127.3	57.8	-178.6	0	0	0	0	113.4
419	D	24.7	Very low	26.1	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	80%	0.797	S	S	*	*			trans	59.6	105.1	178.4	-91.2	-45.7	0	0	0	118.7
420	G	29.8	Very low	26.3	Very low	74 Å²	74	139.9 Å²	139.9	76%	0.763	80%	0.796	S	S	*	*			trans	-136.1	63.7	-178.7	0	0	0	0	0	114.4
421	K	23.2	Very low	26.5	Very low	184 Å²	184	138 Å²	138	80%	0.8	80%	0.796	S	S	*	*			trans	-67	126.9	163.4	-75.6	174.7	-179.9	165.4	0	109.1	V423	K421-V423 PolarHBondContact O-N 3.23Å
422	P	30.9	Very low	26.9	Very low	134 Å²	134	138.3 Å²	138.3	87%	0.87	81%	0.805	S	S	*	*			trans	-66	111	174.4	25.8	-32.4	0	0	0	110.1
423	V	25.6	Very low	27.2	Very low	122 Å²	122	138.2 Å²	138.2	74%	0.739	80%	0.799	S	S	*	*			trans	-73.4	140.4	-179.5	170.1	0	0	0	0	110.4	K421 L425	K421-V423 PolarHBondContact O-N 3.23Å; V423-L425 PolarHBondContact O-N 2.65Å
424	K	24.1	Very low	28.5	Very low	204 Å²	204	133.5 Å²	133.5	89%	0.887	78%	0.778	S	S	*	*			trans	-61.5	102.8	165.9	-76.8	-177.5	173.4	-178.6	0	109.9
425	L	26.6	Very low	29.8	Very low	160 Å²	160	134.2 Å²	134.2	84%	0.838	77%	0.773	S	S	*	*			trans	-93.5	125.6	164.3	-95.3	165.6	0	0	0	110.2	V423	V423-L425 PolarHBondContact O-N 2.65Å
426	L	22.8	Very low	31.2	Very low	174 Å²	174	132.3 Å²	132.3	91%	0.911	76%	0.763	S	S	*	*			trans	-85.2	106.9	174.2	-75.9	161.2	0	0	0	109.3
427	S	26.7	Very low	32.6	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	74%	0.741	S	S	*	*			trans	-110.6	96.1	162.3	55	0	0	0	0	109
428	S	23.7	Very low	33.9	Very low	103 Å²	103	123.3 Å²	123.3	72%	0.72	71%	0.713	S	S	*	*			trans	-69.8	161.1	172.2	50.8	0	0	0	0	112.1
429	T	26.2	Very low	35.8	Very low	140 Å²	140	122 Å²	122	86%	0.859	70%	0.701	S	S	*	*			trans	83	64.7	169.4	73.1	0	0	0	0	119.2
430	S	28.5	Very low	37.9	Very low	110 Å²	110	119.1 Å²	119.1	77%	0.769	68%	0.683	S	S	*	*	S	Bend	trans	-150.1	82	149.9	47.3	0	0	0	0	113.2
431	S	31.6	Very low	39.9	Very low	103 Å²	103	116.1 Å²	116.1	72%	0.72	65%	0.649	S	S	*	*			trans	39.2	104.9	157.2	57.9	0	0	0	0	120.3	L433	S431-L433 PolarHBondContact O-N 3.05Å
432	D	29.8	Very low	42.1	Very low	173 Å²	173	109.7 Å²	109.7	93%	0.925	62%	0.623	S	S	*	*			trans	-61.7	97.7	164.3	-71.8	-78.1	0	0	0	113.2
433	L	35.4	Very low	44.3	Very low	138 Å²	138	106.5 Å²	106.5	72%	0.723	60%	0.597	S	S	*	*			trans	-138.9	116.3	170.3	-81.2	175.1	0	0	0	113.3	S431	S431-L433 PolarHBondContact O-N 3.05Å
434	N	52.1	Low	46.7	Very low	66 Å²	66	100.9 Å²	100.9	35%	0.353	56%	0.563	S	S	.	*			trans	79.3	6.4	157.8	-59	-60.3	0	0	0	122	P436 K437	N434-P436 VanDerWaalsContact C-N 3.31Å; N434-P436 VanDerWaalsContact O-N 3.17Å; N434-K437 PolarHBondContact O-N 3.45Å; N434-K437 VanDerWaalsContact O-N 3.1Å
435	L	52.2	Low	49.2	Very low	126 Å²	126	92.2 Å²	92.2	66%	0.66	53%	0.527	S	S	*	.	H	α-helix	trans	-49.1	-41.1	172.8	-171.8	69.3	0	0	0	114.6	K437 V438 N439	L435-K437 VanDerWaalsContact C-N 3.33Å; L435-K437 PolarHBondContact O-N 2.88Å; L435-V438 PolarHBondContact O-N 3.03Å; L435-N439 PolarHBondContact O-N 3.16Å
436	P	57.3	Low	51.9	Low	88 Å²	88	87.2 Å²	87.2	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-63.4	-31.8	180	-24.7	35.9	0	0	0	114.9	N434 Q440	N434-P436 VanDerWaalsContact C-N 3.31Å; N434-P436 VanDerWaalsContact O-N 3.17Å; P436-Q440 WeakPolarHBondContact O-CG 3.43Å; P436-Q440 PolarHBondContact O-N 3.36Å; P436-Q440 VanDerWaalsContact O-N 3.14Å
437	K	55.4	Low	54.7	Low	65 Å²	65	84 Å²	84	28%	0.283	47%	0.472	S	S	.	.	H	α-helix	trans	-75.1	-33.9	-179.5	-70.5	-164.1	179.7	-171	0	112.1	L318 E322 N434 L435 Q440 Y441	L318-K437 HydrophobicContact CD2-CD 4.09Å; E322-K437 IonicContact OE1-NZ 3.61Å; E322-K437 PolarHBondContact OE1-NZ 3.3Å; N434-K437 PolarHBondContact O-N 3.45Å; N434-K437 VanDerWaalsContact O-N 3.1Å; L435-K437 VanDerWaalsContact C-N 3.33Å; L435-K437 PolarHBondContact O-N 2.88Å; K437-Q440 PolarHBondContact O-N 3.45Å; K437-Y441 PolarHBondContact O-N 3.11Å
438	V	58.5	Low	57.3	Low	34 Å²	34	78.6 Å²	78.6	21%	0.206	43%	0.434	C	S	.	.	H	α-helix	trans	-65	-44	173.7	176.4	0	0	0	0	110.4	L435 Q440 Y441 N442	L435-V438 PolarHBondContact O-N 3.03Å; V438-Q440 VanDerWaalsContact C-N 3.31Å; V438-Q440 PolarHBondContact O-N 3.36Å; V438-Y441 PolarHBondContact O-N 2.33Å; V438-Y441 VanDerWaalsContact O-N 3.17Å; V438-N442 PolarHBondContact O-N 3.13Å
439	N	66.3	Low	60.1	Low	91 Å²	91	74 Å²	74	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-61.6	-38.4	175.9	-68.4	-5	0	0	0	112.3	L435 E443	L435-N439 PolarHBondContact O-N 3.16Å; N439-E443 WeakPolarHBondContact O-CB 3.42Å; N439-E443 PolarHBondContact O-N 3Å
440	Q	70.2	Confident	62.8	Low	96 Å²	96	68.4 Å²	68.4	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-65.7	-38.2	174.5	-73.9	172.3	-9.3	0	0	112.8	M325 P436 K437 V438 A444	M325-Q440 HydrophobicContact CE-CB 4Å; P436-Q440 WeakPolarHBondContact O-CG 3.43Å; P436-Q440 PolarHBondContact O-N 3.36Å; P436-Q440 VanDerWaalsContact O-N 3.14Å; K437-Q440 PolarHBondContact O-N 3.45Å; V438-Q440 VanDerWaalsContact C-N 3.31Å; V438-Q440 PolarHBondContact O-N 3.36Å; Q440-A444 WeakPolarHBondContact O-CB 3.46Å; Q440-A444 PolarHBondContact O-N 3.48Å
441	Y	71.1	Confident	65.3	Low	11 Å²	11	63.2 Å²	63.2	4%	0.043	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-47.9	174.8	-177.7	-99.1	0	0	0	112.4	D324 M325 L328 K437 V438 E443 A444 N445	D324-Y441 HydrophobicContact CB-CE2 4.01Å; M325-Y441 HydrophobicContact CG-CD2 4.27Å; M325-Y441 WeakPolarHBondContact SD-CA 3.36Å; M325-Y441 HydrophobicContact SD-CD2 4.31Å; L328-Y441 HydrophobicContact CD1-CD2 3.91Å; L328-Y441 HydrophobicContact CD1-CE2 3.51Å; K437-Y441 PolarHBondContact O-N 3.11Å; V438-Y441 PolarHBondContact O-N 2.33Å; V438-Y441 VanDerWaalsContact O-N 3.17Å; Y441-E443 VanDerWaalsContact C-N 3.31Å; Y441-E443 PolarHBondContact O-N 3.15Å; Y441-A444 PolarHBondContact O-N 3.38Å; Y441-N445 WeakPolarHBondContact O-CB 3.43Å; Y441-N445 PolarHBondContact O-N 3.31Å
442	N	70	Confident	67.8	Low	48 Å²	48	58.4 Å²	58.4	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-41.8	178.2	-65	-10.4	0	0	0	111.1	V438 N445 R446	V438-N442 PolarHBondContact O-N 3.13Å; N442-N445 PolarHBondContact O-N 3Å; N442-R446 WeakPolarHBondContact O-CB 3.04Å; N442-R446 PolarHBondContact O-N 3.49Å
443	E	77.3	Confident	70.4	Confident	67 Å²	67	50.2 Å²	50.2	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-67	-38.8	175.9	172.2	60.4	-172.5	0	0	113.1	N439 Y441 R446 R447	N439-E443 WeakPolarHBondContact O-CB 3.42Å; N439-E443 PolarHBondContact O-N 3Å; Y441-E443 VanDerWaalsContact C-N 3.31Å; Y441-E443 PolarHBondContact O-N 3.15Å; E443-R446 PolarHBondContact O-N 3.02Å; E443-R447 VanDerWaalsContact O-CG 3.31Å; E443-R447 WeakPolarHBondContact O-CG 3.35Å; E443-R447 PolarHBondContact O-N 3.47Å; E443-R447 IonicContact OE1-CZ 3.52Å; E443-R447 IonicContact OE1-NE 2.8Å; E443-R447 PolarHBondContact OE1-NE 3.1Å; E443-R447 IonicContact OE1-NH2 2.98Å; E443-R447 PolarHBondContact OE1-NH2 3.32Å
444	A	74.9	Confident	72.6	Confident	5 Å²	5	46.6 Å²	46.6	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-43.5	174.7	0	0	0	0	0	111.7	M325 L328 Q440 Y441 R447 V448	M325-A444 HydrophobicContact CE-CB 4.04Å; M325-A444 HydrophobicContact SD-CB 3.56Å; M325-A444 VanDerWaalsContact SD-CB 3.56Å; L328-A444 HydrophobicContact CB-CB 4.2Å; L328-A444 HydrophobicContact CD1-CB 4.28Å; Q440-A444 WeakPolarHBondContact O-CB 3.46Å; Q440-A444 PolarHBondContact O-N 3.48Å; Y441-A444 PolarHBondContact O-N 3.38Å; A444-R447 PolarHBondContact O-N 3.14Å; A444-V448 PolarHBondContact O-N 3.11Å; A444-V448 VanDerWaalsContact O-N 3.15Å
445	N	77.3	Confident	74.1	Confident	22 Å²	22	43.4 Å²	43.4	12%	0.118	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-43	176.4	-162.2	0.8	0	0	0	111.3	L328 Y441 N442 R447 V448 V449	L328-N445 HydrophobicContact CD1-CB 4.06Å; Y441-N445 WeakPolarHBondContact O-CB 3.43Å; Y441-N445 PolarHBondContact O-N 3.31Å; N442-N445 PolarHBondContact O-N 3Å; N445-R447 VanDerWaalsContact C-N 3.31Å; N445-R447 PolarHBondContact O-N 3.14Å; N445-V448 WeakPolarHBondContact O-CB 3.28Å; N445-V448 PolarHBondContact O-N 3.18Å; N445-V448 VanDerWaalsContact O-N 3.07Å; N445-V449 WeakPolarHBondContact O-CG2 3.49Å; N445-V449 PolarHBondContact O-N 3.19Å
446	R	82.3	Confident	75.5	Confident	55 Å²	55	37.5 Å²	37.5	21%	0.208	18%	0.182	C	C	.	.	H	α-helix	trans	-55.7	-40.8	173.4	-176.4	176.8	-164.8	-102.6	4.6	112.7	N442 E443 V449 I450 D567 D569 I570	N442-R446 WeakPolarHBondContact O-CB 3.04Å; N442-R446 PolarHBondContact O-N 3.49Å; E443-R446 PolarHBondContact O-N 3.02Å; R446-V449 PolarHBondContact O-N 2.87Å; R446-I450 HydrophobicContact CG-CD1 3.92Å; R446-I450 WeakPolarHBondContact O-CB 3.2Å; R446-I450 WeakPolarHBondContact O-CG1 3.14Å; R446-I450 PolarHBondContact O-N 3.34Å; R446-D567 IonicContact CZ-OD1 2.76Å; R446-D567 IonicContact CZ-OD2 2.61Å; R446-D567 IonicContact NE-OD1 3.12Å; R446-D567 IonicContact NE-OD2 2.78Å; R446-D567 PolarHBondContact NE-OD2 3.04Å; R446-D567 VanDerWaalsContact NH2-CG 3.34Å; R446-D567 IonicContact NH2-OD1 3.74Å; R446-D567 PolarHBondContact NH2-OD1 2.93Å; R446-D567 IonicContact NH2-OD2 3.67Å; R446-D567 PolarHBondContact NH2-OD2 3.32Å; R446-D569 IonicContact CZ-OD2 3.23Å; R446-D569 VanDerWaalsContact CZ-OD2 3.24Å; R446-D569 IonicContact NH1-OD2 2.67Å; R446-D569 PolarHBondContact NH1-OD2 3.25Å; R446-D569 VanDerWaalsContact NH2-CB 3.33Å; R446-D569 IonicContact NH2-OD2 3.36Å; R446-D569 PolarHBondContact NH2-OD2 3.45Å; R446-I570 HydrophobicContact CG-CD1 4.21Å; R446-I570 HydrophobicContact CG-CG1 4.23Å
447	R	81.4	Confident	76.5	Confident	105 Å²	105	33.9 Å²	33.9	40%	0.396	16%	0.161	S	C	.	.	H	α-helix	trans	-64.8	-41.9	173.7	-70.9	168.8	-169.6	-170.9	3.4	112.7	Y332 E443 A444 N445 I450 G451	Y332-R447 HydrophobicContact CD2-CB 3.88Å; Y332-R447 VanDerWaalsContact CD2-O 3.28Å; Y332-R447 WeakPolarHBondContact CD2-O 3.45Å; Y332-R447 HydrophobicContact CE2-CB 3.99Å; Y332-R447 WeakPolarHBondContact CE2-O 3.45Å; Y332-R447 HydrophobicContact CG-CB 4.28Å; E443-R447 VanDerWaalsContact O-CG 3.31Å; E443-R447 WeakPolarHBondContact O-CG 3.35Å; E443-R447 PolarHBondContact O-N 3.47Å; E443-R447 IonicContact OE1-CZ 3.52Å; E443-R447 IonicContact OE1-NE 2.8Å; E443-R447 PolarHBondContact OE1-NE 3.1Å; E443-R447 IonicContact OE1-NH2 2.98Å; E443-R447 PolarHBondContact OE1-NH2 3.32Å; A444-R447 PolarHBondContact O-N 3.14Å; N445-R447 VanDerWaalsContact C-N 3.31Å; N445-R447 PolarHBondContact O-N 3.14Å; R447-I450 PolarHBondContact O-N 3.23Å; R447-G451 PolarHBondContact O-N 3.26Å
448	V	81.7	Confident	77.6	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.024	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-43.7	174.5	173.2	0	0	0	0	110.8	L328 E331 I335 A444 N445 S452	L328-V448 HydrophobicContact CB-CG2 4.26Å; L328-V448 HydrophobicContact CD2-CB 4.47Å; L328-V448 HydrophobicContact CD2-CG2 3.96Å; L328-V448 VanDerWaalsContact O-CG2 3.27Å; L328-V448 WeakPolarHBondContact O-CG2 3.36Å; E331-V448 HydrophobicContact CB-CG2 4.36Å; E331-V448 HydrophobicContact CG-CG1 4.3Å; I335-V448 HydrophobicContact CD1-CG1 3.99Å; A444-V448 PolarHBondContact O-N 3.11Å; A444-V448 VanDerWaalsContact O-N 3.15Å; N445-V448 WeakPolarHBondContact O-CB 3.28Å; N445-V448 PolarHBondContact O-N 3.18Å; N445-V448 VanDerWaalsContact O-N 3.07Å; V448-S452 WeakPolarHBondContact O-CB 3.25Å; V448-S452 PolarHBondContact O-N 2.87Å; V448-S452 PolarHBondContact O-OG 3.24Å
449	V	82.5	Confident	78.5	Confident	8 Å²	8	30 Å²	30	5%	0.048	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-49.8	175.4	173.5	0	0	0	0	111.4	L376 I380 N445 R446 G451 S452 A453 I570 Y574	L376-V449 HydrophobicContact CD2-CG1 4.01Å; L376-V449 WeakPolarHBondContact CD2-O 3.17Å; I380-V449 HydrophobicContact CG1-CG2 4.45Å; N445-V449 WeakPolarHBondContact O-CG2 3.49Å; N445-V449 PolarHBondContact O-N 3.19Å; R446-V449 PolarHBondContact O-N 2.87Å; V449-G451 PolarHBondContact O-N 3.41Å; V449-S452 PolarHBondContact O-N 2.8Å; V449-A453 WeakPolarHBondContact O-CB 3.37Å; V449-A453 PolarHBondContact O-N 3.35Å; V449-I570 HydrophobicContact CG1-CD1 4.46Å; V449-I570 HydrophobicContact CG1-CG1 4.45Å; V449-I570 HydrophobicContact CG1-CG2 3.96Å; V449-Y574 HydrophobicContact CG1-CE2 4.23Å
450	I	83.1	Confident	78.9	Confident	22 Å²	22	26 Å²	26	11%	0.113	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-47.5	179.1	-76.9	169.4	0	0	0	111.6	R446 R447 A453 R454 D569 I570 E573	R446-I450 HydrophobicContact CG-CD1 3.92Å; R446-I450 WeakPolarHBondContact O-CB 3.2Å; R446-I450 WeakPolarHBondContact O-CG1 3.14Å; R446-I450 PolarHBondContact O-N 3.34Å; R447-I450 PolarHBondContact O-N 3.23Å; I450-A453 PolarHBondContact O-N 2.98Å; I450-R454 WeakPolarHBondContact O-CB 3.48Å; I450-R454 PolarHBondContact O-N 3.12Å; I450-D569 HydrophobicContact CD1-CB 3.76Å; I450-I570 HydrophobicContact CD1-CG1 4.41Å; I450-I570 HydrophobicContact CG1-CG1 4.15Å; I450-E573 HydrophobicContact CG1-CG 4.47Å; I450-E573 HydrophobicContact CG2-CG 4.08Å
451	G	81.8	Confident	79	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.8	-40.5	176.7	0	0	0	0	0	112.5	I335 R447 V449 A453 R454 L455	I335-G451 WeakPolarHBondContact CG2-O 3.47Å; R447-G451 PolarHBondContact O-N 3.26Å; V449-G451 PolarHBondContact O-N 3.41Å; G451-A453 VanDerWaalsContact C-N 3.33Å; G451-A453 PolarHBondContact O-N 3.5Å; G451-R454 PolarHBondContact O-N 3.45Å; G451-L455 WeakPolarHBondContact O-CB 3.4Å; G451-L455 PolarHBondContact O-N 3.08Å
452	S	83.5	Confident	79	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-42.1	175.5	-65.3	0	0	0	0	111.6	I335 I372 V448 V449 L456	I335-S452 WeakPolarHBondContact CD1-OG 3.48Å; I372-S452 VanDerWaalsContact CG2-O 3.25Å; I372-S452 WeakPolarHBondContact CG2-O 3.41Å; V448-S452 WeakPolarHBondContact O-CB 3.25Å; V448-S452 PolarHBondContact O-N 2.87Å; V448-S452 PolarHBondContact O-OG 3.24Å; V449-S452 PolarHBondContact O-N 2.8Å; S452-L456 VanDerWaalsContact O-CB 3.25Å; S452-L456 WeakPolarHBondContact O-CB 3.35Å; S452-L456 PolarHBondContact O-N 3.29Å
453	A	83.1	Confident	78.7	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-67.4	-43.8	-179.7	0	0	0	0	0	111.1	L376 V449 I450 G451 L456 G457 E573 I577	L376-A453 HydrophobicContact CD1-CB 4.47Å; L376-A453 HydrophobicContact CD2-CB 3.91Å; V449-A453 WeakPolarHBondContact O-CB 3.37Å; V449-A453 PolarHBondContact O-N 3.35Å; I450-A453 PolarHBondContact O-N 2.98Å; G451-A453 VanDerWaalsContact C-N 3.33Å; G451-A453 PolarHBondContact O-N 3.5Å; A453-L456 PolarHBondContact O-N 3.49Å; A453-G457 PolarHBondContact O-N 3.08Å; A453-E573 HydrophobicContact CB-CB 3.73Å; A453-I577 HydrophobicContact CB-CD1 3.96Å; A453-I577 WeakPolarHBondContact O-CG1 3.46Å
454	R	83.1	Confident	78	Confident	61 Å²	61	26.1 Å²	26.1	23%	0.23	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-44.9	177.6	-165.3	179.7	-61.4	135.7	2.8	112.9	E339 I450 G451 L456 G457 Q458 E573	E339-R454 WeakPolarHBondContact OE1-CB 3.39Å; E339-R454 WeakPolarHBondContact OE1-CD 3.33Å; E339-R454 WeakPolarHBondContact OE1-CG 3.48Å; I450-R454 WeakPolarHBondContact O-CB 3.48Å; I450-R454 PolarHBondContact O-N 3.12Å; G451-R454 PolarHBondContact O-N 3.45Å; R454-L456 VanDerWaalsContact C-N 3.33Å; R454-L456 PolarHBondContact O-N 2.97Å; R454-G457 PolarHBondContact O-N 2.61Å; R454-Q458 WeakPolarHBondContact O-CG 3.48Å; R454-Q458 PolarHBondContact O-N 3.16Å; R454-E573 WeakPolarHBondContact CB-OE2 3.5Å; R454-E573 IonicContact CZ-OE1 3.18Å; R454-E573 IonicContact CZ-OE2 2.71Å; R454-E573 IonicContact NE-OE1 3.01Å; R454-E573 IonicContact NE-OE2 3.94Å; R454-E573 PolarHBondContact NE-OE2 2.96Å; R454-E573 IonicContact NH2-OE1 2.98Å; R454-E573 PolarHBondContact NH2-OE1 3.38Å; R454-E573 IonicContact NH2-OE2 2.87Å; R454-E573 PolarHBondContact NH2-OE2 3.41Å
455	L	82.8	Confident	77.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-39.6	175	178.2	56.8	0	0	0	111.1	I335 C338 E339 L342 I372 G451 Q458 I459	I335-L455 HydrophobicContact CG2-CB 4.26Å; I335-L455 HydrophobicContact CG2-CD2 3.98Å; C338-L455 HydrophobicContact CB-CD1 4.39Å; C338-L455 HydrophobicContact CB-CD2 3.6Å; E339-L455 HydrophobicContact CG-CB 3.93Å; E339-L455 HydrophobicContact CG-CD1 3.87Å; E339-L455 HydrophobicContact CG-CG 4.33Å; L342-L455 HydrophobicContact CD2-CD1 4.08Å; I372-L455 HydrophobicContact CD1-CB 4.45Å; I372-L455 HydrophobicContact CD1-CD2 3.49Å; I372-L455 VanDerWaalsContact CD1-CD2 3.49Å; I372-L455 HydrophobicContact CD1-CG 3.7Å; G451-L455 WeakPolarHBondContact O-CB 3.4Å; G451-L455 PolarHBondContact O-N 3.08Å; L455-Q458 PolarHBondContact O-N 3.2Å; L455-I459 HydrophobicContact CD1-CD1 4Å; L455-I459 HydrophobicContact CD1-CG1 4.26Å; L455-I459 HydrophobicContact CG-CD1 3.95Å; L455-I459 WeakPolarHBondContact O-CD1 3.39Å; L455-I459 VanDerWaalsContact O-CG1 3.25Å; L455-I459 WeakPolarHBondContact O-CG1 3.49Å; L455-I459 PolarHBondContact O-N 3.29Å
456	L	82	Confident	77	Confident	1 Å²	1	25 Å²	25	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-43.3	174.1	-177.2	58.4	0	0	0	111.9	L369 I372 A373 L376 S452 A453 R454 I459 L460 I557 I577	L369-L456 HydrophobicContact CD1-CD1 3.39Å; L369-L456 HydrophobicContact CG-CD1 4.17Å; I372-L456 HydrophobicContact CG2-CB 4.04Å; A373-L456 HydrophobicContact CB-CD2 4.44Å; L376-L456 HydrophobicContact CD1-CB 4.17Å; L376-L456 HydrophobicContact CD1-CD2 3.48Å; L376-L456 VanDerWaalsContact CD1-CD2 3.48Å; L376-L456 HydrophobicContact CD1-CG 4.47Å; S452-L456 VanDerWaalsContact O-CB 3.25Å; S452-L456 WeakPolarHBondContact O-CB 3.35Å; S452-L456 PolarHBondContact O-N 3.29Å; A453-L456 PolarHBondContact O-N 3.49Å; R454-L456 VanDerWaalsContact C-N 3.33Å; R454-L456 PolarHBondContact O-N 2.97Å; L456-I459 PolarHBondContact O-N 2.92Å; L456-L460 HydrophobicContact CD1-CD1 3.95Å; L456-L460 HydrophobicContact CD1-CG 4.16Å; L456-L460 HydrophobicContact CG-CD1 3.84Å; L456-L460 HydrophobicContact CG-CG 4.46Å; L456-L460 WeakPolarHBondContact O-CB 3.48Å; L456-L460 WeakPolarHBondContact O-CG 3.43Å; L456-L460 PolarHBondContact O-N 3.1Å; L456-I557 HydrophobicContact CD2-CD1 3.89Å; L456-I557 HydrophobicContact CD2-CG1 4.43Å; L456-I577 HydrophobicContact CB-CD1 4.38Å; L456-I577 HydrophobicContact CD2-CD1 4.1Å; L456-I577 HydrophobicContact CG-CD1 4.39Å
457	G	77.8	Confident	76.3	Confident	13 Å²	13	25.5 Å²	25.5	13%	0.134	13%	0.127	C	C	.	.	H	α-helix	trans	-60.9	-42.7	174	0	0	0	0	0	112.8	A453 R454 I459 L460 S461	A453-G457 PolarHBondContact O-N 3.08Å; R454-G457 PolarHBondContact O-N 2.61Å; G457-I459 PolarHBondContact O-N 3.21Å; G457-L460 PolarHBondContact O-N 2.63Å; G457-S461 PolarHBondContact O-N 2.81Å
458	Q	78	Confident	75.6	Confident	17 Å²	17	22.4 Å²	22.4	8%	0.079	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-36.1	174.6	-73.4	-179.6	59.9	0	0	112.9	E339 L342 N343 R346 R454 L455 S461	E339-Q458 PolarHBondContact OE1-NE2 2.86Å; L342-Q458 HydrophobicContact CD2-CB 3.94Å; N343-Q458 PolarHBondContact ND2-OE1 3.22Å; R346-Q458 PolarHBondContact NH2-O 2.96Å; R454-Q458 WeakPolarHBondContact O-CG 3.48Å; R454-Q458 PolarHBondContact O-N 3.16Å; L455-Q458 PolarHBondContact O-N 3.2Å; Q458-S461 PolarHBondContact O-OG 3.31Å
459	I	77.3	Confident	75	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-70.9	-41.4	175.5	-68.6	161.7	0	0	0	110.7	L342 L362 L368 L369 I372 L455 L456 G457 S461 E462 L465	L342-I459 HydrophobicContact CD2-CG1 4.07Å; L362-I459 HydrophobicContact CD1-CG1 4.34Å; L362-I459 HydrophobicContact CD1-CG2 3.9Å; L368-I459 HydrophobicContact CD2-CD1 3.69Å; L368-I459 HydrophobicContact CG-CD1 4.29Å; L369-I459 HydrophobicContact CD1-CG2 3.82Å; I372-I459 HydrophobicContact CD1-CD1 3.89Å; L455-I459 HydrophobicContact CD1-CD1 4Å; L455-I459 HydrophobicContact CD1-CG1 4.26Å; L455-I459 HydrophobicContact CG-CD1 3.95Å; L455-I459 WeakPolarHBondContact O-CD1 3.39Å; L455-I459 VanDerWaalsContact O-CG1 3.25Å; L455-I459 WeakPolarHBondContact O-CG1 3.49Å; L455-I459 PolarHBondContact O-N 3.29Å; L456-I459 PolarHBondContact O-N 2.92Å; G457-I459 PolarHBondContact O-N 3.21Å; I459-S461 VanDerWaalsContact C-N 3.28Å; I459-S461 PolarHBondContact O-N 3.38Å; I459-E462 PolarHBondContact O-N 3.05Å; I459-L465 HydrophobicContact CG2-CD1 3.7Å; I459-L465 HydrophobicContact CG2-CD2 4.35Å
460	L	76.4	Confident	74.5	Confident	6 Å²	6	23 Å²	23	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-72.4	-15.6	179.3	-72	169.7	0	0	0	113.6	L369 L456 G457 E462 L465 L466 L469 I577 P580 L581	L369-L460 HydrophobicContact CD1-CD2 4.24Å; L369-L460 HydrophobicContact CD1-CG 4.46Å; L456-L460 HydrophobicContact CD1-CD1 3.95Å; L456-L460 HydrophobicContact CD1-CG 4.16Å; L456-L460 HydrophobicContact CG-CD1 3.84Å; L456-L460 HydrophobicContact CG-CG 4.46Å; L456-L460 WeakPolarHBondContact O-CB 3.48Å; L456-L460 WeakPolarHBondContact O-CG 3.43Å; L456-L460 PolarHBondContact O-N 3.1Å; G457-L460 PolarHBondContact O-N 2.63Å; L460-E462 PolarHBondContact O-N 3.43Å; L460-L465 HydrophobicContact CD2-CD2 3.78Å; L460-L466 VanDerWaalsContact O-CD1 3.28Å; L460-L466 WeakPolarHBondContact O-CD1 3.43Å; L460-L466 VanDerWaalsContact O-CG 3.23Å; L460-L466 WeakPolarHBondContact O-CG 3.46Å; L460-L469 HydrophobicContact CD2-CD1 3.73Å; L460-I577 HydrophobicContact CD1-CG2 3.78Å; L460-P580 HydrophobicContact CB-CG 4.14Å; L460-L581 HydrophobicContact CD1-CD2 4.36Å; L460-L581 HydrophobicContact CD2-CD2 4.27Å
461	S	72.3	Confident	73.9	Confident	54 Å²	54	27.6 Å²	27.6	38%	0.378	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.6	175	74.1	0	0	0	0	114.3	R346 G457 Q458 I459 N463	R346-S461 PolarHBondContact NH2-OG 3.09Å; G457-S461 PolarHBondContact O-N 2.81Å; Q458-S461 PolarHBondContact O-OG 3.31Å; I459-S461 VanDerWaalsContact C-N 3.28Å; I459-S461 PolarHBondContact O-N 3.38Å; S461-N463 PolarHBondContact O-N 2.87Å
462	E	69.8	Low	73.4	Confident	19 Å²	19	30.8 Å²	30.8	9%	0.089	15%	0.154	C	C	.	.			trans	-79.7	111.3	176.5	-66.4	-62.6	157.9	0	0	111.1	R346 L355 T359 I459 L460 H464 L465 L466	R346-E462 IonicContact CZ-OE1 3.59Å; R346-E462 IonicContact NE-OE1 3.42Å; R346-E462 PolarHBondContact NE-OE1 3.16Å; R346-E462 IonicContact NH2-OE1 2.78Å; R346-E462 PolarHBondContact NH2-OE1 3.49Å; L355-E462 WeakPolarHBondContact CD2-OE2 3.48Å; T359-E462 HydrophobicContact CG2-CB 4.26Å; T359-E462 HydrophobicContact CG2-CG 3.97Å; I459-E462 PolarHBondContact O-N 3.05Å; L460-E462 PolarHBondContact O-N 3.43Å; E462-H464 PolarHBondContact O-N 3.09Å; E462-L465 HydrophobicContact CB-CB 3.99Å; E462-L465 WeakPolarHBondContact O-CB 3.27Å; E462-L465 PolarHBondContact O-N 2.73Å; E462-L466 PolarHBondContact O-N 2.85Å; E462-L466 VanDerWaalsContact O-N 3.14Å
463	N	63.7	Low	72.7	Confident	101 Å²	101	31 Å²	31	54%	0.54	16%	0.155	S	C	.	.	H	α-helix	trans	-51.5	-35.4	-175.6	-72.4	-28.8	0	0	0	114.2	S461 E467 H584	S461-N463 PolarHBondContact O-N 2.87Å; N463-E467 WeakPolarHBondContact O-CB 3.37Å; N463-E467 PolarHBondContact O-N 3.25Å; N463-H584 PolarHBondContact O-NE2 3.06Å
464	H	62.4	Low	72.1	Confident	50 Å²	50	33.1 Å²	33.1	23%	0.231	17%	0.167	C	C	.	.	H	α-helix	trans	-75.1	-31.9	178.9	-172.4	57.4	0	0	0	113	N356 E462 E467 I468	N356-H464 VanDerWaalsContact CB-CD2 3.41Å; N356-H464 WeakPolarHBondContact CB-CD2 3.44Å; N356-H464 WeakPolarHBondContact OD1-CB 3.5Å; N356-H464 PolarHBondContact OD1-CD2 3.34Å; E462-H464 PolarHBondContact O-N 3.09Å; H464-E467 IonicContact CE1-OE2 3.59Å; H464-E467 IonicContact ND1-OE2 3.46Å; H464-E467 PolarHBondContact ND1-OE2 2.91Å; H464-E467 WeakPolarHBondContact O-CB 3.34Å; H464-E467 PolarHBondContact O-N 3.3Å; H464-I468 WeakPolarHBondContact O-CG1 3.14Å; H464-I468 PolarHBondContact O-N 2.87Å
465	L	64.3	Low	71.2	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.8	-40.9	175.9	-172.7	139.2	0	0	0	110.4	L362 I363 I459 L460 E462 I468 L469	L362-L465 HydrophobicContact CB-CD1 4.34Å; L362-L465 HydrophobicContact CD1-CD1 4.48Å; I363-L465 HydrophobicContact CD1-CB 4.27Å; I363-L465 HydrophobicContact CD1-CD1 3.99Å; I363-L465 HydrophobicContact CD1-CG 3.65Å; I363-L465 HydrophobicContact CG1-CD1 3.68Å; I363-L465 HydrophobicContact CG1-CG 3.82Å; I459-L465 HydrophobicContact CG2-CD1 3.7Å; I459-L465 HydrophobicContact CG2-CD2 4.35Å; L460-L465 HydrophobicContact CD2-CD2 3.78Å; E462-L465 HydrophobicContact CB-CB 3.99Å; E462-L465 WeakPolarHBondContact O-CB 3.27Å; E462-L465 PolarHBondContact O-N 2.73Å; L465-I468 PolarHBondContact O-N 2.97Å; L465-L469 HydrophobicContact CD2-CD1 3.8Å; L465-L469 VanDerWaalsContact O-CG 3.31Å; L465-L469 WeakPolarHBondContact O-CG 3.25Å; L465-L469 PolarHBondContact O-N 3.29Å
466	L	67.8	Low	70.1	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-43.1	169.3	-69.2	168.3	0	0	0	112.2	L460 E462 I468 L469 D470 P580 L581 H584	L460-L466 VanDerWaalsContact O-CD1 3.28Å; L460-L466 WeakPolarHBondContact O-CD1 3.43Å; L460-L466 VanDerWaalsContact O-CG 3.23Å; L460-L466 WeakPolarHBondContact O-CG 3.46Å; E462-L466 PolarHBondContact O-N 2.85Å; E462-L466 VanDerWaalsContact O-N 3.14Å; L466-I468 VanDerWaalsContact C-N 3.33Å; L466-I468 PolarHBondContact O-N 3.35Å; L466-L469 PolarHBondContact O-N 3.4Å; L466-L469 VanDerWaalsContact O-N 3.12Å; L466-D470 PolarHBondContact O-N 3.38Å; L466-P580 HydrophobicContact CD1-CB 4.47Å; L466-P580 WeakPolarHBondContact CD1-O 3.3Å; L466-L581 HydrophobicContact CD2-CD2 4.02Å; L466-H584 HydrophobicContact CB-CB 4.26Å; L466-H584 WeakPolarHBondContact CB-CD2 3.46Å; L466-H584 HydrophobicContact CD1-CB 4.32Å
467	E	66.5	Low	69.1	Low	67 Å²	67	39.1 Å²	39.1	31%	0.313	21%	0.205	S	C	.	.	H	α-helix	trans	-61.1	-38.3	177.4	-168.1	-161.7	179.4	0	0	112.6	N463 H464 K471 H584	N463-E467 WeakPolarHBondContact O-CB 3.37Å; N463-E467 PolarHBondContact O-N 3.25Å; H464-E467 IonicContact CE1-OE2 3.59Å; H464-E467 IonicContact ND1-OE2 3.46Å; H464-E467 PolarHBondContact ND1-OE2 2.91Å; H464-E467 WeakPolarHBondContact O-CB 3.34Å; H464-E467 PolarHBondContact O-N 3.3Å; E467-K471 HydrophobicContact CG-CD 4.35Å; E467-K471 WeakPolarHBondContact O-CB 3.34Å; E467-K471 VanDerWaalsContact O-CG 3.28Å; E467-K471 WeakPolarHBondContact O-CG 3.48Å; E467-K471 PolarHBondContact O-N 2.85Å; E467-K471 WeakPolarHBondContact OE1-CE 3.22Å; E467-K471 IonicContact OE1-NZ 3.25Å; E467-K471 PolarHBondContact OE1-NZ 3.37Å; E467-H584 VanDerWaalsContact CA-CE1 3.47Å; E467-H584 WeakPolarHBondContact CA-CE1 3.47Å; E467-H584 PolarHBondContact N-NE2 2.92Å
468	I	68.3	Low	68.1	Low	39 Å²	39	45.1 Å²	45.1	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-70.2	-36.3	174.5	-67.6	164.6	0	0	0	111.4	I363 H464 L465 L466 K472	I363-I468 HydrophobicContact CD1-CB 3.75Å; I363-I468 HydrophobicContact CD1-CD1 3.71Å; I363-I468 HydrophobicContact CD1-CG1 4.34Å; I363-I468 HydrophobicContact CD1-CG2 3.65Å; H464-I468 WeakPolarHBondContact O-CG1 3.14Å; H464-I468 PolarHBondContact O-N 2.87Å; L465-I468 PolarHBondContact O-N 2.97Å; L466-I468 VanDerWaalsContact C-N 3.33Å; L466-I468 PolarHBondContact O-N 3.35Å; I468-K472 WeakPolarHBondContact O-CG 3.35Å; I468-K472 PolarHBondContact O-N 3.28Å
469	L	69.2	Low	66.7	Low	8 Å²	8	47.5 Å²	47.5	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-45.6	175.7	-70.5	169.8	0	0	0	111.4	I363 L460 L465 L466 K472 L473 I550 M588	I363-L469 HydrophobicContact CG2-CD2 3.89Å; I363-L469 HydrophobicContact CG2-CG 4.48Å; L460-L469 HydrophobicContact CD2-CD1 3.73Å; L465-L469 HydrophobicContact CD2-CD1 3.8Å; L465-L469 VanDerWaalsContact O-CG 3.31Å; L465-L469 WeakPolarHBondContact O-CG 3.25Å; L465-L469 PolarHBondContact O-N 3.29Å; L466-L469 PolarHBondContact O-N 3.4Å; L466-L469 VanDerWaalsContact O-N 3.12Å; L469-K472 WeakPolarHBondContact O-CB 3.27Å; L469-K472 PolarHBondContact O-N 2.9Å; L469-L473 PolarHBondContact O-N 3.11Å; L469-I550 HydrophobicContact CD2-CD1 3.91Å; L469-I550 HydrophobicContact CD2-CG1 4.14Å; L469-I550 HydrophobicContact CD2-CG2 3.96Å; L469-M588 HydrophobicContact CB-CE 4.02Å
470	D	70.4	Confident	65.1	Low	18 Å²	18	53 Å²	53	10%	0.096	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-47.1	177.6	178.7	76.8	0	0	0	112.1	L466 K472 L473 V474 T585 T587	L466-D470 PolarHBondContact O-N 3.38Å; D470-K472 PolarHBondContact O-N 3.39Å; D470-K472 VanDerWaalsContact O-N 3.09Å; D470-L473 CarbonylContact O-C 3.54Å; D470-L473 WeakPolarHBondContact O-CA 3.43Å; D470-L473 WeakPolarHBondContact O-CB 3.47Å; D470-L473 PolarHBondContact O-N 3.16Å; D470-V474 WeakPolarHBondContact O-CG2 3.41Å; D470-V474 PolarHBondContact O-N 2.88Å; D470-V474 WeakPolarHBondContact OD2-CG2 3.47Å; D470-T585 HydrophobicContact CB-CG2 4.15Å; D470-T585 VanDerWaalsContact CG-CG2 3.43Å; D470-T585 WeakPolarHBondContact OD1-CB 3.16Å; D470-T585 WeakPolarHBondContact OD1-CG2 3.42Å; D470-T585 PolarHBondContact OD1-OG1 3.18Å; D470-T587 PolarHBondContact OD1-OG1 3.47Å
471	K	72.2	Confident	63.5	Low	117 Å²	117	58.4 Å²	58.4	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-56.1	-32.2	176.1	-75.9	172.2	-177.3	172.9	0	112.7	E467 S475	E467-K471 HydrophobicContact CG-CD 4.35Å; E467-K471 WeakPolarHBondContact O-CB 3.34Å; E467-K471 VanDerWaalsContact O-CG 3.28Å; E467-K471 WeakPolarHBondContact O-CG 3.48Å; E467-K471 PolarHBondContact O-N 2.85Å; E467-K471 WeakPolarHBondContact OE1-CE 3.22Å; E467-K471 IonicContact OE1-NZ 3.25Å; E467-K471 PolarHBondContact OE1-NZ 3.37Å; K471-S475 WeakPolarHBondContact O-CB 3.34Å; K471-S475 PolarHBondContact O-N 2.76Å; K471-S475 PolarHBondContact O-OG 2.88Å
472	K	69.6	Low	61.8	Low	68 Å²	68	59.9 Å²	59.9	30%	0.296	31%	0.312	S	S	.	.	H	α-helix	trans	-72.4	-41.9	172	-69.4	173.7	-175.5	178.4	0	112.2	I468 L469 D470 Q476 I550	I468-K472 WeakPolarHBondContact O-CG 3.35Å; I468-K472 PolarHBondContact O-N 3.28Å; L469-K472 WeakPolarHBondContact O-CB 3.27Å; L469-K472 PolarHBondContact O-N 2.9Å; D470-K472 PolarHBondContact O-N 3.39Å; D470-K472 VanDerWaalsContact O-N 3.09Å; K472-Q476 WeakPolarHBondContact O-CG 3.44Å; K472-Q476 PolarHBondContact O-N 2.88Å; K472-I550 HydrophobicContact CB-CD1 4.06Å; K472-I550 HydrophobicContact CD-CD1 3.33Å; K472-I550 HydrophobicContact CG-CD1 4.34Å
473	L	70.7	Confident	60.2	Low	8 Å²	8	65.3 Å²	65.3	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-66.9	-44.7	177.4	-76.3	159.1	0	0	0	113.4	L469 D470 S475 Q476 K477 L554 M588 T591	L469-L473 PolarHBondContact O-N 3.11Å; D470-L473 CarbonylContact O-C 3.54Å; D470-L473 WeakPolarHBondContact O-CA 3.43Å; D470-L473 WeakPolarHBondContact O-CB 3.47Å; D470-L473 PolarHBondContact O-N 3.16Å; L473-S475 VanDerWaalsContact C-N 3.31Å; L473-S475 PolarHBondContact O-N 3.23Å; L473-Q476 WeakPolarHBondContact O-CB 3.49Å; L473-Q476 PolarHBondContact O-N 3.35Å; L473-K477 PolarHBondContact O-N 3.32Å; L473-L554 HydrophobicContact CD1-CD1 4.14Å; L473-M588 HydrophobicContact CD1-CE 3.46Å; L473-M588 VanDerWaalsContact CD1-CE 3.46Å; L473-M588 HydrophobicContact CD1-SD 3.72Å; L473-T591 HydrophobicContact CD2-CG2 4.34Å
474	V	70.5	Confident	58.7	Low	44 Å²	44	66.8 Å²	66.8	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-57.6	-45.9	174.9	172.8	0	0	0	0	110.2	D470 Q476 K477 H478 T587	D470-V474 WeakPolarHBondContact O-CG2 3.41Å; D470-V474 PolarHBondContact O-N 2.88Å; D470-V474 WeakPolarHBondContact OD2-CG2 3.47Å; V474-Q476 PolarHBondContact O-N 3.46Å; V474-K477 PolarHBondContact O-N 3.26Å; V474-H478 PolarHBondContact O-CD2 3.41Å; V474-H478 PolarHBondContact O-N 3.5Å; V474-T587 HydrophobicContact CG2-CG2 4.14Å
475	S	64	Low	57.5	Low	81 Å²	81	68.2 Å²	68.2	57%	0.566	35%	0.347	S	S	*	.	H	α-helix	trans	-58.2	-35.1	175.9	-60.2	0	0	0	0	112.7	K471 L473 S479	K471-S475 WeakPolarHBondContact O-CB 3.34Å; K471-S475 PolarHBondContact O-N 2.76Å; K471-S475 PolarHBondContact O-OG 2.88Å; L473-S475 VanDerWaalsContact C-N 3.31Å; L473-S475 PolarHBondContact O-N 3.23Å; S475-S479 PolarHBondContact O-N 2.67Å; S475-S479 PolarHBondContact O-OG 3.13Å
476	Q	59.5	Low	56.2	Low	34 Å²	34	74 Å²	74	16%	0.159	38%	0.375	C	S	.	.	H	α-helix	trans	-73	-43.9	177	-68.4	165.9	7.3	0	0	113.1	K472 L473 V474 H478 S479 N480 Y547 T551	K472-Q476 WeakPolarHBondContact O-CG 3.44Å; K472-Q476 PolarHBondContact O-N 2.88Å; L473-Q476 WeakPolarHBondContact O-CB 3.49Å; L473-Q476 PolarHBondContact O-N 3.35Å; V474-Q476 PolarHBondContact O-N 3.46Å; Q476-H478 VanDerWaalsContact C-N 3.27Å; Q476-H478 PolarHBondContact O-N 2.8Å; Q476-S479 WeakPolarHBondContact CA-OG 3.39Å; Q476-S479 PolarHBondContact O-N 3.34Å; Q476-S479 PolarHBondContact O-OG 3.21Å; Q476-N480 PolarHBondContact O-N 3.35Å; Q476-Y547 PolarHBondContact NE2-O 2.9Å; Q476-T551 PolarHBondContact OE1-OG1 3.46Å
477	K	60.8	Low	54.6	Low	74 Å²	74	80.9 Å²	80.9	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-60.8	-37.8	178.5	-82.5	-167.3	172.1	-174.8	0	111	L473 V474 N480 F481 E594	L473-K477 PolarHBondContact O-N 3.32Å; V474-K477 PolarHBondContact O-N 3.26Å; K477-N480 PolarHBondContact O-N 2.96Å; K477-F481 PolarHBondContact O-N 3.37Å; K477-E594 IonicContact NZ-OE1 2.67Å; K477-E594 PolarHBondContact NZ-OE1 3.32Å
478	H	55.8	Low	53.1	Low	138 Å²	138	82.1 Å²	82.1	64%	0.639	41%	0.414	S	S	*	.	H	α-helix	trans	-67	-40.1	174.4	-71.7	-60.3	0	0	0	114.1	V474 Q476 N480 F481	V474-H478 PolarHBondContact O-CD2 3.41Å; V474-H478 PolarHBondContact O-N 3.5Å; Q476-H478 VanDerWaalsContact C-N 3.27Å; Q476-H478 PolarHBondContact O-N 2.8Å; H478-N480 VanDerWaalsContact C-N 3.29Å; H478-N480 PolarHBondContact O-N 3.3Å; H478-F481 PolarHBondContact O-N 3.2Å
479	S	49.1	Very low	51.7	Low	67 Å²	67	86.7 Å²	86.7	47%	0.469	43%	0.432	S	S	.	.	H	α-helix	trans	-64.4	-32.5	176.3	48.9	0	0	0	0	113.3	S475 Q476	S475-S479 PolarHBondContact O-N 2.67Å; S475-S479 PolarHBondContact O-OG 3.13Å; Q476-S479 WeakPolarHBondContact CA-OG 3.39Å; Q476-S479 PolarHBondContact O-N 3.34Å; Q476-S479 PolarHBondContact O-OG 3.21Å
480	N	43.6	Very low	50.1	Low	118 Å²	118	89.5 Å²	89.5	63%	0.631	45%	0.449	S	S	*	.	H	α-helix	trans	-77.3	-29.6	179.1	-72.5	-17.2	0	0	0	113.1	Q476 K477 H478 S482 H483	Q476-N480 PolarHBondContact O-N 3.35Å; K477-N480 PolarHBondContact O-N 2.96Å; H478-N480 VanDerWaalsContact C-N 3.29Å; H478-N480 PolarHBondContact O-N 3.3Å; N480-S482 VanDerWaalsContact C-N 3.28Å; N480-S482 PolarHBondContact O-N 3.49Å; N480-H483 PolarHBondContact O-N 2.96Å
481	F	42.5	Very low	48.4	Very low	119 Å²	119	92.9 Å²	92.9	52%	0.522	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-34.6	179.3	-115.2	-85.6	0	0	0	112.8	K477 H478 H483 K484 D485	K477-F481 PolarHBondContact O-N 3.37Å; H478-F481 PolarHBondContact O-N 3.2Å; F481-H483 PolarHBondContact O-N 2.88Å; F481-K484 PolarHBondContact O-N 3.34Å; F481-D485 PolarHBondContact O-N 2.71Å
482	S	36.3	Very low	46.7	Very low	85 Å²	85	95.4 Å²	95.4	59%	0.594	48%	0.478	S	S	*	.	H	α-helix	trans	-61.4	-16.7	178.9	-169.1	0	0	0	0	114.6	N480	N480-S482 VanDerWaalsContact C-N 3.28Å; N480-S482 PolarHBondContact O-N 3.49Å
483	H	37	Very low	44.9	Very low	133 Å²	133	98.4 Å²	98.4	62%	0.616	50%	0.497	S	S	*	.	H	α-helix	trans	-101.5	-11.5	172	-78.7	-56.9	0	0	0	113.7	N480 F481	N480-H483 PolarHBondContact O-N 2.96Å; F481-H483 PolarHBondContact O-N 2.88Å
484	K	32.5	Very low	43.3	Very low	131 Å²	131	103.6 Å²	103.6	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-83.9	-37.6	177	-145.9	174.8	-176.6	-175	0	111.6	F481 E486 F487 D488	F481-K484 PolarHBondContact O-N 3.34Å; K484-E486 PolarHBondContact O-N 2.84Å; K484-E486 VanDerWaalsContact O-N 3.09Å; K484-F487 PolarHBondContact O-N 3.08Å; K484-D488 PolarHBondContact O-N 3.18Å; K484-D488 VanDerWaalsContact O-N 3.13Å
485	D	36.7	Very low	41.6	Very low	80 Å²	80	108.4 Å²	108.4	43%	0.428	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-8.3	174	-73	-26.1	0	0	0	114.6	F481 K489	F481-D485 PolarHBondContact O-N 2.71Å; D485-K489 WeakPolarHBondContact O-CD 3.41Å; D485-K489 WeakPolarHBondContact O-CE 3.26Å; D485-K489 WeakPolarHBondContact O-CG 3.37Å; D485-K489 PolarHBondContact O-NZ 2.86Å
486	E	37.3	Very low	40	Very low	123 Å²	123	112.1 Å²	112.1	58%	0.575	55%	0.554	S	S	*	*	H	α-helix	trans	-89.9	-34.4	167.9	-66.8	-159.4	122.8	0	0	112.2	K484 K489 V490	K484-E486 PolarHBondContact O-N 2.84Å; K484-E486 VanDerWaalsContact O-N 3.09Å; E486-K489 PolarHBondContact O-N 3.29Å; E486-V490 WeakPolarHBondContact O-CG2 3.41Å; E486-V490 PolarHBondContact O-N 3.44Å
487	F	33.3	Very low	38.5	Very low	146 Å²	146	119.7 Å²	119.7	64%	0.64	59%	0.587	S	S	*	*	H	α-helix	trans	-71.4	-40.8	176	-96	-91.4	0	0	0	112.7	K484 K489 V490 D491	K484-F487 PolarHBondContact O-N 3.08Å; F487-K489 PolarHBondContact O-N 3.09Å; F487-K489 VanDerWaalsContact O-N 3.13Å; F487-V490 WeakPolarHBondContact O-CA 3.34Å; F487-V490 WeakPolarHBondContact O-CB 3.31Å; F487-V490 PolarHBondContact O-N 3.38Å; F487-D491 PolarHBondContact O-N 3.18Å
488	D	35.9	Very low	37.2	Very low	94 Å²	94	124.7 Å²	124.7	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-65.2	-15	174.5	-81.6	-47.6	0	0	0	113.4	K484	K484-D488 PolarHBondContact O-N 3.18Å; K484-D488 VanDerWaalsContact O-N 3.13Å
489	K	38.7	Very low	35.9	Very low	134 Å²	134	126.3 Å²	126.3	58%	0.583	62%	0.619	S	S	*	*	H	α-helix	trans	-85.2	-29.5	168.3	-70	177.3	-171.7	113.6	0	112.7	D485 E486 F487 L493	D485-K489 WeakPolarHBondContact O-CD 3.41Å; D485-K489 WeakPolarHBondContact O-CE 3.26Å; D485-K489 WeakPolarHBondContact O-CG 3.37Å; D485-K489 PolarHBondContact O-NZ 2.86Å; E486-K489 PolarHBondContact O-N 3.29Å; F487-K489 PolarHBondContact O-N 3.09Å; F487-K489 VanDerWaalsContact O-N 3.13Å; K489-L493 PolarHBondContact O-N 2.89Å
490	V	36.7	Very low	35	Very low	67 Å²	67	129.3 Å²	129.3	41%	0.406	64%	0.639	S	S	.	*	H	α-helix	trans	-74.8	-44.2	178.1	169.6	0	0	0	0	111.3	E486 F487 K492 L493 I494	E486-V490 WeakPolarHBondContact O-CG2 3.41Å; E486-V490 PolarHBondContact O-N 3.44Å; F487-V490 WeakPolarHBondContact O-CA 3.34Å; F487-V490 WeakPolarHBondContact O-CB 3.31Å; F487-V490 PolarHBondContact O-N 3.38Å; V490-K492 VanDerWaalsContact C-N 3.29Å; V490-K492 PolarHBondContact O-N 3.47Å; V490-L493 CarbonylContact O-C 3.6Å; V490-L493 WeakPolarHBondContact O-CA 3.18Å; V490-L493 WeakPolarHBondContact O-CB 3.26Å; V490-L493 PolarHBondContact O-N 3.41Å; V490-I494 HydrophobicContact CG1-CD1 3.61Å; V490-I494 HydrophobicContact CG1-CG1 4.25Å; V490-I494 WeakPolarHBondContact O-CG1 3.33Å; V490-I494 PolarHBondContact O-N 3.3Å
491	D	33.2	Very low	34.2	Very low	90 Å²	90	129 Å²	129	48%	0.481	65%	0.646	S	S	.	*	H	α-helix	trans	-64.7	-33.7	177.9	-81.7	-22.5	0	0	0	112.5	F487 L493 I494 I495	F487-D491 PolarHBondContact O-N 3.18Å; D491-L493 PolarHBondContact O-N 2.83Å; D491-I494 PolarHBondContact O-N 3.34Å; D491-I495 WeakPolarHBondContact O-CG1 3.31Å; D491-I495 PolarHBondContact O-N 3.5Å
492	K	36.2	Very low	33.8	Very low	169 Å²	169	127.9 Å²	127.9	74%	0.735	65%	0.65	S	S	*	*	H	α-helix	trans	-68.1	-16.4	170.4	-78.6	178.3	177.8	166.9	0	114.4	V490	V490-K492 VanDerWaalsContact C-N 3.29Å; V490-K492 PolarHBondContact O-N 3.47Å
493	L	33.5	Very low	33.4	Very low	131 Å²	131	133.7 Å²	133.7	69%	0.686	66%	0.661	S	S	*	*	H	α-helix	trans	-97	-21.8	174	-88.1	162.7	0	0	0	113.4	K489 V490 D491	K489-L493 PolarHBondContact O-N 2.89Å; V490-L493 CarbonylContact O-C 3.6Å; V490-L493 WeakPolarHBondContact O-CA 3.18Å; V490-L493 WeakPolarHBondContact O-CB 3.26Å; V490-L493 PolarHBondContact O-N 3.41Å; D491-L493 PolarHBondContact O-N 2.83Å
494	I	36.7	Very low	33	Very low	118 Å²	118	135 Å²	135	61%	0.605	67%	0.673	S	S	*	*	H	α-helix	trans	-82	-29.9	177.2	-69.9	174.5	0	0	0	111.8	V490 D491 Q496	V490-I494 HydrophobicContact CG1-CD1 3.61Å; V490-I494 HydrophobicContact CG1-CG1 4.25Å; V490-I494 WeakPolarHBondContact O-CG1 3.33Å; V490-I494 PolarHBondContact O-N 3.3Å; D491-I494 PolarHBondContact O-N 3.34Å; I494-Q496 PolarHBondContact O-N 3.11Å
495	I	34.1	Very low	33	Very low	145 Å²	145	135 Å²	135	74%	0.744	68%	0.684	S	S	*	*	S	Bend	trans	-74.3	-8	178.4	-67	171.6	0	0	0	113.2	D491	D491-I495 WeakPolarHBondContact O-CG1 3.31Å; D491-I495 PolarHBondContact O-N 3.5Å
496	Q	29.9	Very low	32.5	Very low	158 Å²	158	136.5 Å²	136.5	74%	0.738	70%	0.7	S	S	*	*	S	Bend	trans	-106.1	52.2	177.6	-75.5	-160.4	-22.4	0	0	114.7	I494	I494-Q496 PolarHBondContact O-N 3.11Å
497	K	29.3	Very low	32.5	Very low	194 Å²	194	136 Å²	136	84%	0.843	71%	0.708	S	S	*	*			trans	-162.2	55.2	164.6	-120.1	160.4	-168.9	174.4	0	118.9
498	Q	32.6	Very low	32.4	Very low	178 Å²	178	135.3 Å²	135.3	83%	0.832	72%	0.716	S	S	*	*			trans	-156.4	92.4	149.4	-119.2	163.8	-6.4	0	0	114.9
499	E	29.1	Very low	32	Very low	172 Å²	172	141.6 Å²	141.6	80%	0.804	73%	0.734	S	S	*	*			trans	51.1	130.1	130.5	-62.2	-174.6	147.1	0	0	123.9
500	C	29.9	Very low	31.7	Very low	130 Å²	130	141.5 Å²	141.5	88%	0.878	74%	0.74	S	S	*	*			trans	81.2	123.2	149.3	-66	0	0	0	0	120.6
501	S	27.5	Very low	31.5	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	75%	0.752	S	S	*	*			trans	-97.7	-176.7	170.9	60.7	0	0	0	0	111.1
502	P	34.5	Very low	31.5	Very low	96 Å²	96	146.7 Å²	146.7	62%	0.623	77%	0.765	S	S	*	*				-148.1	177.7	82.9	29.1	-5.6	0	0	0	116.9
503	Y	27	Very low	31.1	Very low	207 Å²	207	149.1 Å²	149.1	81%	0.812	77%	0.772	S	S	*	*			trans	77.1	94.6	166	-54.7	-67.5	0	0	0	119.7
504	N	29.1	Very low	31	Very low	162 Å²	162	149.6 Å²	149.6	87%	0.866	77%	0.77	S	S	*	*				-159	174.7	93.3	-103.4	-27.8	0	0	0	112.8
505	T	31.5	Very low	30.8	Very low	130 Å²	130	150.8 Å²	150.8	80%	0.798	77%	0.771	S	S	*	*			trans	-91.2	153.5	-157.8	47.4	0	0	0	0	117.1
506	S	27.7	Very low	30.7	Very low	111 Å²	111	148.8 Å²	148.8	78%	0.776	77%	0.77	S	S	*	*			trans	-66.6	-174.7	168.8	-14.6	0	0	0	0	113.7
507	P	36.4	Very low	30.8	Very low	114 Å²	114	147.4 Å²	147.4	74%	0.74	77%	0.766	S	S	*	*			cis	-122.5	-167.2	-1.1	35.9	-14.1	0	0	0	112.2
508	T	31.9	Very low	30.9	Very low	131 Å²	131	144.4 Å²	144.4	80%	0.804	76%	0.759	S	S	*	*			cis	-157.9	173.9	31.4	-24.9	0	0	0	0	111.5
509	Y	27.8	Very low	31	Very low	226 Å²	226	140.7 Å²	140.7	89%	0.886	75%	0.749	S	S	*	*			trans	-109.3	-170.4	-170	-112.9	-101.4	0	0	0	114
510	D	31.2	Very low	31	Very low	132 Å²	132	140.1 Å²	140.1	71%	0.706	75%	0.751	S	S	*	*			trans	106.7	130.4	167.9	-66.5	25.2	0	0	0	114
511	N	33.4	Very low	31	Very low	125 Å²	125	137.3 Å²	137.3	67%	0.668	74%	0.744	S	S	*	*			cis	-158.7	163.6	-1.7	-84.7	-25	0	0	0	107.2
512	D	32	Very low	31.1	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	75%	0.745	S	S	*	*			cis	-157.9	179	-12.8	-124.8	-37.7	0	0	0	110.6
513	Y	28.1	Very low	30.8	Very low	221 Å²	221	139.2 Å²	139.2	87%	0.867	75%	0.75	S	S	*	*			trans	-120.2	-165	-178.3	-127.5	-96	0	0	0	113.5
514	E	31.4	Very low	30.9	Very low	141 Å²	141	138.2 Å²	138.2	66%	0.659	75%	0.75	S	S	*	*			trans	91.5	149.4	162	-48.9	-151.2	160.3	0	0	118.6
515	K	32.4	Very low	30.7	Very low	142 Å²	142	138 Å²	138	62%	0.617	75%	0.748	S	S	*	*			cis	-156.6	175.4	-20.2	-108.3	172.2	-162.9	150	0	106.7	I517	K515-I517 HydrophobicContact CD-CD1 3.91Å; K515-I517 HydrophobicContact CG-CD1 4.23Å
516	S	31.9	Very low	30.5	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	75%	0.749	S	S	*	*			cis	-166.7	143.8	40.8	10.4	0	0	0	0	108.7
517	I	32.3	Very low	30.5	Very low	130 Å²	130	137.2 Å²	137.2	67%	0.667	75%	0.748	S	S	*	*				65.4	126.7	75.2	-63.3	166.5	0	0	0	111.6	K515	K515-I517 HydrophobicContact CD-CD1 3.91Å; K515-I517 HydrophobicContact CG-CD1 4.23Å
518	D	31.9	Very low	30.4	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	75%	0.747	S	S	*	*			cis	-172.9	-171.7	-8.9	-118.3	-58.1	0	0	0	109.5
519	T	34.1	Very low	30.1	Very low	100 Å²	100	136.2 Å²	136.2	61%	0.613	74%	0.742	S	S	*	*			cis	-157.4	160.2	2.4	5.2	0	0	0	0	111.8
520	N	29.2	Very low	29.8	Very low	160 Å²	160	131 Å²	131	86%	0.856	73%	0.734	S	S	*	*			trans	58.4	135.9	141.8	-62.1	-21.5	0	0	0	125.9
521	G	30	Very low	29.6	Very low	71 Å²	71	131.8 Å²	131.8	73%	0.732	74%	0.736	S	S	*	*			trans	175.6	141.1	159.8	0	0	0	0	0	112.2
522	T	29.5	Very low	29.2	Very low	130 Å²	130	131 Å²	131	80%	0.798	74%	0.74	S	S	*	*			trans	-138.2	155.5	-154.7	-9.4	0	0	0	0	118.6
523	T	29	Very low	28.8	Very low	118 Å²	118	128.9 Å²	128.9	72%	0.724	74%	0.737	S	S	*	*			trans	73.9	107.5	151	37.6	0	0	0	0	123.7
524	K	28.6	Very low	28.6	Very low	186 Å²	186	124.5 Å²	124.5	81%	0.809	73%	0.733	S	S	*	*				60.8	123.5	119.5	-78	-173	173.3	-178.2	0	123.5
525	L	25.3	Very low	28.4	Very low	156 Å²	156	126.8 Å²	126.8	82%	0.817	74%	0.744	S	S	*	*				109.7	150.3	124.7	-124.6	76.6	0	0	0	121.1
526	S	27.1	Very low	28	Very low	119 Å²	119	127.7 Å²	127.7	83%	0.832	76%	0.755	S	S	*	*			trans	80.4	143.9	161.9	70.7	0	0	0	0	121.9
527	S	26.9	Very low	27.7	Very low	107 Å²	107	128.6 Å²	128.6	75%	0.748	76%	0.762	S	S	*	*			trans	-136.3	177.3	176.7	59.7	0	0	0	0	107.5
528	P	35.1	Very low	27.3	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	77%	0.772	S	S	*	*			cis	-118.8	-137.3	-0.3	25.9	-0	0	0	0	111
529	T	24.1	Very low	26.8	Very low	112 Å²	112	131.5 Å²	131.5	69%	0.687	78%	0.777	S	S	*	*			cis	-165.5	157.4	11.4	-16.2	0	0	0	0	112.7
530	T	22.6	Very low	26.4	Very low	117 Å²	117	137 Å²	137	72%	0.718	79%	0.788	S	S	*	*			trans	56.4	124.2	150.9	-20.4	0	0	0	0	122.8
531	I	26.8	Very low	26.1	Very low	147 Å²	147	135.9 Å²	135.9	75%	0.754	78%	0.782	S	S	*	*				149.5	116.7	122.8	-77.7	171.9	0	0	0	113
532	S	24.2	Very low	25.8	Very low	109 Å²	109	139 Å²	139	76%	0.762	78%	0.782	S	S	*	*			trans	57.7	152.5	156.4	72.2	0	0	0	0	120.5
533	S	23.9	Very low	25.7	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	78%	0.781	S	S	*	*			cis	-166	158.4	-18.1	46.6	0	0	0	0	111.1
534	T	23.6	Very low	25.5	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	78%	0.777	S	S	*	*			trans	51.2	103.6	155.2	52.5	0	0	0	0	119.6
535	Q	27.8	Very low	25.8	Very low	189 Å²	189	137.5 Å²	137.5	88%	0.883	77%	0.77	S	S	*	*				-159.2	131.1	116.8	-111.1	174.2	13	0	0	113.1
536	N	24	Very low	26.8	Very low	162 Å²	162	132.7 Å²	132.7	87%	0.866	75%	0.749	S	S	*	*			trans	8	111.1	164	-56.1	-9.4	0	0	0	120.4
537	S	25.7	Very low	27.4	Very low	122 Å²	122	133.2 Å²	133.2	85%	0.853	73%	0.734	S	S	*	*			trans	-149.7	146.8	130.4	-167.8	0	0	0	0	110.2
538	L	23.1	Very low	28.6	Very low	170 Å²	170	130.5 Å²	130.5	89%	0.89	72%	0.723	S	S	*	*			trans	-86.8	108.4	-178.7	-78.7	161.8	0	0	0	110.2	Y540	L538-Y540 PolarHBondContact O-N 3.2Å
539	L	23	Very low	30	Very low	151 Å²	151	129.3 Å²	129.3	79%	0.791	71%	0.707	S	S	*	*			trans	-88.3	100.9	175.2	-154.7	84.9	0	0	0	110.4	N541	L539-N541 HydrophobicContact CD2-CB 4.46Å
540	Y	24.3	Very low	32	Very low	214 Å²	214	125 Å²	125	84%	0.839	68%	0.68	S	S	*	*			trans	-100.4	73.2	172.8	-136.9	-75.5	0	0	0	109.8	L538 D542	L538-Y540 PolarHBondContact O-N 3.2Å; Y540-D542 PolarHBondContact O-N 3.1Å
541	N	22.9	Very low	34.2	Very low	137 Å²	137	121.5 Å²	121.5	73%	0.733	66%	0.658	S	S	*	*			trans	-86.3	87.9	176.5	-96.4	5.1	0	0	0	110.3	L539	L539-N541 HydrophobicContact CD2-CB 4.46Å
542	D	24.1	Very low	36.4	Very low	137 Å²	137	117.2 Å²	117.2	73%	0.733	64%	0.641	S	S	*	*			trans	-148.3	147.2	169.3	-123.2	-36.7	0	0	0	111	Y540	Y540-D542 PolarHBondContact O-N 3.1Å
543	K	27.6	Very low	38.8	Very low	181 Å²	181	113.2 Å²	113.2	79%	0.787	61%	0.611	S	S	*	*			trans	72.1	95.3	-175.7	-53.3	177.4	-179.5	177.8	0	117.6
544	L	25.5	Very low	41.4	Very low	122 Å²	122	109.2 Å²	109.2	64%	0.639	58%	0.582	S	S	*	*			trans	-129.6	14.9	159.8	-130.1	55.9	0	0	0	116.9	Y547	L544-Y547 HydrophobicContact CD1-CE2 3.76Å; L544-Y547 HydrophobicContact CD2-CD1 4.34Å; L544-Y547 HydrophobicContact CD2-CD2 3.7Å; L544-Y547 HydrophobicContact CD2-CE1 4.27Å; L544-Y547 HydrophobicContact CD2-CE2 3.66Å; L544-Y547 HydrophobicContact CD2-CG 4.08Å; L544-Y547 HydrophobicContact CG-CE2 4.18Å; L544-Y547 WeakPolarHBondContact O-CD2 3.33Å
545	P	34.7	Very low	44.2	Very low	100 Å²	100	109.1 Å²	109.1	65%	0.649	57%	0.571	S	S	*	*			trans	-84.8	-15.2	-179.7	34.8	-36.2	0	0	0	115	Y547 H549	P545-Y547 PolarHBondContact O-N 2.92Å; P545-H549 PolarHBondContact O-CE1 3.01Å; P545-H549 PolarHBondContact O-ND1 2.98Å
546	S	46	Very low	46.8	Very low	54 Å²	54	102.9 Å²	102.9	38%	0.378	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	0.7	-169.5	-170	0	0	0	0	116
547	Y	40	Very low	49.6	Very low	131 Å²	131	95.4 Å²	95.4	51%	0.514	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-40.5	-153.3	-78.4	-111.5	0	0	0	114.7	Q476 L544 P545	Q476-Y547 PolarHBondContact NE2-O 2.9Å; L544-Y547 HydrophobicContact CD1-CE2 3.76Å; L544-Y547 HydrophobicContact CD2-CD1 4.34Å; L544-Y547 HydrophobicContact CD2-CD2 3.7Å; L544-Y547 HydrophobicContact CD2-CE1 4.27Å; L544-Y547 HydrophobicContact CD2-CE2 3.66Å; L544-Y547 HydrophobicContact CD2-CG 4.08Å; L544-Y547 HydrophobicContact CG-CE2 4.18Å; L544-Y547 WeakPolarHBondContact O-CD2 3.33Å; P545-Y547 PolarHBondContact O-N 2.92Å
548	G	52.7	Low	52.4	Low	50 Å²	50	89.8 Å²	89.8	52%	0.515	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-15.3	177.2	0	0	0	0	0	114.7	S552	G548-S552 WeakPolarHBondContact O-CB 3.34Å; G548-S552 PolarHBondContact O-N 2.73Å
549	H	63.2	Low	55.3	Low	87 Å²	87	83.3 Å²	83.3	40%	0.403	44%	0.438	S	S	.	.	H	α-helix	trans	-66.8	-47	-161.1	-71.8	92.6	0	0	0	113.9	P545 S552 L553	P545-H549 PolarHBondContact O-CE1 3.01Å; P545-H549 PolarHBondContact O-ND1 2.98Å; H549-S552 WeakPolarHBondContact O-CB 3.27Å; H549-S552 PolarHBondContact O-N 3.05Å; H549-L553 WeakPolarHBondContact O-CB 3.33Å; H549-L553 PolarHBondContact O-N 3.02Å
550	I	66	Low	58.1	Low	22 Å²	22	77.1 Å²	77.1	11%	0.113	41%	0.405	C	S	.	.	H	α-helix	trans	-65.6	-45.5	-177	-68.4	164.8	0	0	0	112	L469 K472 S552 L553 L554	L469-I550 HydrophobicContact CD2-CD1 3.91Å; L469-I550 HydrophobicContact CD2-CG1 4.14Å; L469-I550 HydrophobicContact CD2-CG2 3.96Å; K472-I550 HydrophobicContact CB-CD1 4.06Å; K472-I550 HydrophobicContact CD-CD1 3.33Å; K472-I550 HydrophobicContact CG-CD1 4.34Å; I550-S552 VanDerWaalsContact C-N 3.34Å; I550-L553 WeakPolarHBondContact O-CA 3.31Å; I550-L553 VanDerWaalsContact O-CB 3.23Å; I550-L553 WeakPolarHBondContact O-CB 3.39Å; I550-L553 PolarHBondContact O-N 3.2Å; I550-L553 VanDerWaalsContact O-N 3.11Å; I550-L554 HydrophobicContact CG2-CD1 4.34Å; I550-L554 PolarHBondContact O-N 3.42Å
551	T	69.2	Low	61.1	Low	43 Å²	43	67 Å²	67	26%	0.264	37%	0.365	S	S	.	.	H	α-helix	trans	-70.9	-33.6	-178.8	-38.7	0	0	0	0	111.1	Q476 K555 T591	Q476-T551 PolarHBondContact OE1-OG1 3.46Å; T551-K555 VanDerWaalsContact O-CB 3.23Å; T551-K555 WeakPolarHBondContact O-CB 3.5Å; T551-K555 PolarHBondContact O-N 3.49Å; T551-T591 HydrophobicContact CG2-CG2 4.4Å
552	S	72	Confident	64.1	Low	57 Å²	57	63.8 Å²	63.8	40%	0.399	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-43.6	166.6	-172.9	0	0	0	0	111.5	G548 H549 I550 K555 N556	G548-S552 WeakPolarHBondContact O-CB 3.34Å; G548-S552 PolarHBondContact O-N 2.73Å; H549-S552 WeakPolarHBondContact O-CB 3.27Å; H549-S552 PolarHBondContact O-N 3.05Å; I550-S552 VanDerWaalsContact C-N 3.34Å; S552-K555 PolarHBondContact O-N 3.16Å; S552-N556 VanDerWaalsContact O-CB 3.29Å; S552-N556 WeakPolarHBondContact O-CB 3.48Å; S552-N556 PolarHBondContact O-N 3.48Å; S552-N556 PolarHBondContact O-ND2 2.91Å; S552-N556 PolarHBondContact OG-ND2 3.08Å
553	L	75.6	Confident	67	Low	25 Å²	25	61.7 Å²	61.7	13%	0.131	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-52.6	177.5	-145.3	74.1	0	0	0	111.4	L369 A373 I377 H549 I550 N556 I557	L369-L553 HydrophobicContact CD2-CD2 4.24Å; L369-L553 HydrophobicContact CG-CD2 4.4Å; A373-L553 HydrophobicContact CB-CD1 3.61Å; A373-L553 HydrophobicContact CB-CD2 3.89Å; A373-L553 HydrophobicContact CB-CG 3.77Å; I377-L553 HydrophobicContact CD1-CD1 3.97Å; I377-L553 HydrophobicContact CD1-CG 4.5Å; H549-L553 WeakPolarHBondContact O-CB 3.33Å; H549-L553 PolarHBondContact O-N 3.02Å; I550-L553 WeakPolarHBondContact O-CA 3.31Å; I550-L553 VanDerWaalsContact O-CB 3.23Å; I550-L553 WeakPolarHBondContact O-CB 3.39Å; I550-L553 PolarHBondContact O-N 3.2Å; I550-L553 VanDerWaalsContact O-N 3.11Å; L553-N556 PolarHBondContact O-N 3.24Å; L553-I557 HydrophobicContact CG-CD1 4.21Å; L553-I557 WeakPolarHBondContact O-CB 3.25Å; L553-I557 WeakPolarHBondContact O-CD1 3.46Å; L553-I557 VanDerWaalsContact O-CG1 3.24Å; L553-I557 WeakPolarHBondContact O-CG1 3.41Å; L553-I557 PolarHBondContact O-N 2.97Å
554	L	79	Confident	69.7	Low	12 Å²	12	54.4 Å²	54.4	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-47.3	178.1	-69.7	171.3	0	0	0	111.3	L473 I550 N556 I557 I558 L581 M588 T591	L473-L554 HydrophobicContact CD1-CD1 4.14Å; I550-L554 HydrophobicContact CG2-CD1 4.34Å; I550-L554 PolarHBondContact O-N 3.42Å; L554-N556 VanDerWaalsContact C-N 3.3Å; L554-N556 PolarHBondContact O-N 3.48Å; L554-I557 PolarHBondContact O-N 3.47Å; L554-I558 WeakPolarHBondContact O-CB 3.26Å; L554-I558 WeakPolarHBondContact O-CD1 3.42Å; L554-I558 VanDerWaalsContact O-CG1 3.26Å; L554-I558 WeakPolarHBondContact O-CG1 3.38Å; L554-I558 PolarHBondContact O-N 2.99Å; L554-L581 HydrophobicContact CD2-CD1 3.85Å; L554-L581 HydrophobicContact CD2-CD2 3.94Å; L554-M588 HydrophobicContact CD1-SD 3.87Å; L554-T591 HydrophobicContact CD1-CG2 4.07Å
555	K	82.3	Confident	72.6	Confident	126 Å²	126	51.7 Å²	51.7	55%	0.548	28%	0.278	S	S	.	.	H	α-helix	trans	-57	-42.2	175.7	-179.3	169.6	-178	174	0	112.4	T551 S552 G559 N595	T551-K555 VanDerWaalsContact O-CB 3.23Å; T551-K555 WeakPolarHBondContact O-CB 3.5Å; T551-K555 PolarHBondContact O-N 3.49Å; S552-K555 PolarHBondContact O-N 3.16Å; K555-G559 PolarHBondContact O-N 3.41Å; K555-N595 VanDerWaalsContact CB-OD1 3.28Å; K555-N595 WeakPolarHBondContact CB-OD1 3.48Å; K555-N595 WeakPolarHBondContact CD-OD1 3.32Å; K555-N595 VanDerWaalsContact CG-OD1 3.25Å; K555-N595 WeakPolarHBondContact CG-OD1 3.47Å
556	N	81.5	Confident	75	Confident	58 Å²	58	53.8 Å²	53.8	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-75.9	-35.7	-178.5	-64.7	-25.8	0	0	0	112.1	I377 S552 L553 L554 G559 K560	I377-N556 HydrophobicContact CB-CB 4.39Å; I377-N556 HydrophobicContact CD1-CB 3.52Å; I377-N556 HydrophobicContact CG1-CB 3.64Å; I377-N556 HydrophobicContact CG2-CB 3.84Å; S552-N556 VanDerWaalsContact O-CB 3.29Å; S552-N556 WeakPolarHBondContact O-CB 3.48Å; S552-N556 PolarHBondContact O-N 3.48Å; S552-N556 PolarHBondContact O-ND2 2.91Å; S552-N556 PolarHBondContact OG-ND2 3.08Å; L553-N556 PolarHBondContact O-N 3.24Å; L554-N556 VanDerWaalsContact C-N 3.3Å; L554-N556 PolarHBondContact O-N 3.48Å; N556-G559 PolarHBondContact O-N 3.01Å; N556-K560 WeakPolarHBondContact O-CB 3.41Å; N556-K560 WeakPolarHBondContact O-CG 3.5Å; N556-K560 PolarHBondContact O-N 3.47Å
557	I	83.2	Confident	76.9	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-47.1	172.1	-69.7	160.7	0	0	0	110.3	L456 L553 L554 K560 C561 Y574 I577	L456-I557 HydrophobicContact CD2-CD1 3.89Å; L456-I557 HydrophobicContact CD2-CG1 4.43Å; L553-I557 HydrophobicContact CG-CD1 4.21Å; L553-I557 WeakPolarHBondContact O-CB 3.25Å; L553-I557 WeakPolarHBondContact O-CD1 3.46Å; L553-I557 VanDerWaalsContact O-CG1 3.24Å; L553-I557 WeakPolarHBondContact O-CG1 3.41Å; L553-I557 PolarHBondContact O-N 2.97Å; L554-I557 PolarHBondContact O-N 3.47Å; I557-K560 PolarHBondContact O-N 3.44Å; I557-C561 WeakPolarHBondContact O-CB 3.32Å; I557-C561 PolarHBondContact O-N 3Å; I557-Y574 HydrophobicContact CG2-CD1 4.19Å; I557-Y574 HydrophobicContact CG2-CE1 4.34Å; I557-Y574 WeakPolarHBondContact O-CD1 3.44Å; I557-I577 HydrophobicContact CG2-CG2 4.02Å
558	I	85.1	Confident	79	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-38.6	178	-64.7	162.9	0	0	0	110.8	L554 C561 W562 L578 V592 N595	L554-I558 WeakPolarHBondContact O-CB 3.26Å; L554-I558 WeakPolarHBondContact O-CD1 3.42Å; L554-I558 VanDerWaalsContact O-CG1 3.26Å; L554-I558 WeakPolarHBondContact O-CG1 3.38Å; L554-I558 PolarHBondContact O-N 2.99Å; I558-C561 WeakPolarHBondContact O-CB 3.49Å; I558-C561 PolarHBondContact O-N 3.26Å; I558-W562 PolarHBondContact O-N 3.33Å; I558-L578 HydrophobicContact CG1-CD2 4.08Å; I558-V592 HydrophobicContact CD1-CB 4.27Å; I558-V592 HydrophobicContact CD1-CG1 4.11Å; I558-V592 HydrophobicContact CD1-CG2 4.29Å; I558-N595 HydrophobicContact CD1-CB 3.82Å; I558-N595 HydrophobicContact CG2-CB 4.47Å; I558-N595 VanDerWaalsContact CG2-O 3.26Å; I558-N595 WeakPolarHBondContact CG2-O 3.31Å
559	G	83.1	Confident	80.5	Confident	35 Å²	35	50.4 Å²	50.4	36%	0.361	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-45.4	172.8	0	0	0	0	0	112.7	K555 N556 W562 E563	K555-G559 PolarHBondContact O-N 3.41Å; N556-G559 PolarHBondContact O-N 3.01Å; G559-W562 PolarHBondContact O-N 2.76Å; G559-E563 WeakPolarHBondContact O-CB 3.39Å; G559-E563 PolarHBondContact O-N 2.97Å
560	K	82.2	Confident	81.6	Confident	21 Å²	21	46.4 Å²	46.4	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-71.1	-32	175.5	-73.1	-52.7	-166	-171.6	0	113.6	I377 N556 I557 W562 E563 Y564 Y574	I377-K560 WeakPolarHBondContact O-CE 3.41Å; N556-K560 WeakPolarHBondContact O-CB 3.41Å; N556-K560 WeakPolarHBondContact O-CG 3.5Å; N556-K560 PolarHBondContact O-N 3.47Å; I557-K560 PolarHBondContact O-N 3.44Å; K560-W562 VanDerWaalsContact C-N 3.31Å; K560-W562 PolarHBondContact O-N 3.02Å; K560-E563 HydrophobicContact CD-CB 4.19Å; K560-E563 WeakPolarHBondContact CD-OE2 3.45Å; K560-E563 IonicContact NZ-OE1 2.68Å; K560-E563 PolarHBondContact NZ-OE1 3.31Å; K560-E563 IonicContact NZ-OE2 2.65Å; K560-E563 PolarHBondContact NZ-OE2 2.93Å; K560-E563 PolarHBondContact O-N 3.49Å; K560-Y564 HydrophobicContact CB-CD2 4.15Å; K560-Y564 HydrophobicContact CB-CE2 4.22Å; K560-Y564 HydrophobicContact CD-CD2 4.45Å; K560-Y564 HydrophobicContact CD-CE2 3.92Å; K560-Y564 HydrophobicContact CG-CE2 4.36Å; K560-Y564 WeakPolarHBondContact O-CD2 2.98Å; K560-Y564 PolarHBondContact O-N 3.43Å; K560-Y574 HydrophobicContact CB-CE1 3.71Å
561	C	86.3	Confident	82.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-46.6	167.3	-178.4	0	0	0	0	110.5	I557 I558 R565 Y571 Y574	I557-C561 WeakPolarHBondContact O-CB 3.32Å; I557-C561 PolarHBondContact O-N 3Å; I558-C561 WeakPolarHBondContact O-CB 3.49Å; I558-C561 PolarHBondContact O-N 3.26Å; C561-R565 PolarHBondContact O-N 3.18Å; C561-Y571 WeakPolarHBondContact O-CD2 3.26Å; C561-Y571 WeakPolarHBondContact O-CE2 3.49Å; C561-Y571 VanDerWaalsContact SG-CE2 3.58Å; C561-Y574 HydrophobicContact CB-CD1 3.88Å; C561-Y574 HydrophobicContact CB-CG 4.16Å
562	W	86.8	Confident	83.6	Confident	70 Å²	70	45.4 Å²	45.4	27%	0.265	23%	0.228	S	C	.	.	H	α-helix	trans	-68.9	-35.5	174.6	-173.2	-95.4	0	0	0	113.4	I558 G559 K560 R565 R599 Y603	I558-W562 PolarHBondContact O-N 3.33Å; G559-W562 PolarHBondContact O-N 2.76Å; K560-W562 VanDerWaalsContact C-N 3.31Å; K560-W562 PolarHBondContact O-N 3.02Å; W562-R565 WeakPolarHBondContact O-CB 3.33Å; W562-R565 VanDerWaalsContact O-CD 3.28Å; W562-R565 WeakPolarHBondContact O-CD 3.49Å; W562-R565 WeakPolarHBondContact O-CG 3.46Å; W562-R565 PolarHBondContact O-NH1 2.96Å; W562-R599 HydrophobicContact CE3-CG 4.28Å; W562-R599 HydrophobicContact CH2-CG 4Å; W562-R599 HydrophobicContact CZ3-CB 4.4Å; W562-R599 HydrophobicContact CZ3-CG 3.71Å; W562-Y603 HydrophobicContact CH2-CD2 4.26Å; W562-Y603 HydrophobicContact CH2-CG 4.41Å; W562-Y603 HydrophobicContact CZ3-CG 4.26Å
563	E	85.6	Confident	84.3	Confident	94 Å²	94	43.5 Å²	43.5	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-53.5	178.9	-165.3	179.8	114.4	0	0	111.7	G559 K560 R565	G559-E563 WeakPolarHBondContact O-CB 3.39Å; G559-E563 PolarHBondContact O-N 2.97Å; K560-E563 HydrophobicContact CD-CB 4.19Å; K560-E563 WeakPolarHBondContact CD-OE2 3.45Å; K560-E563 IonicContact NZ-OE1 2.68Å; K560-E563 PolarHBondContact NZ-OE1 3.31Å; K560-E563 IonicContact NZ-OE2 2.65Å; K560-E563 PolarHBondContact NZ-OE2 2.93Å; K560-E563 PolarHBondContact O-N 3.49Å; E563-R565 VanDerWaalsContact C-N 3.25Å; E563-R565 PolarHBondContact O-N 3.17Å; E563-R565 PolarHBondContact O-NH1 3.21Å
564	Y	83.7	Confident	84.9	Confident	27 Å²	27	42.3 Å²	42.3	11%	0.106	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	12.1	-177.2	-64.3	-60.7	0	0	0	114.6	K378 P379 I380 K560 E566 D567 I570 Y574	K378-Y564 PolarHBondContact O-OH 3.38Å; P379-Y564 WeakPolarHBondContact CA-OH 2.87Å; I380-Y564 HydrophobicContact CD1-CE1 3.96Å; I380-Y564 HydrophobicContact CG1-CE1 4.2Å; I380-Y564 PolarHBondContact N-OH 3.1Å; I380-Y564 VanDerWaalsContact N-OH 3.15Å; K560-Y564 HydrophobicContact CB-CD2 4.15Å; K560-Y564 HydrophobicContact CB-CE2 4.22Å; K560-Y564 HydrophobicContact CD-CD2 4.45Å; K560-Y564 HydrophobicContact CD-CE2 3.92Å; K560-Y564 HydrophobicContact CG-CE2 4.36Å; K560-Y564 WeakPolarHBondContact O-CD2 2.98Å; K560-Y564 PolarHBondContact O-N 3.43Å; Y564-E566 PolarHBondContact O-N 3.49Å; Y564-D567 PolarHBondContact O-N 2.99Å; Y564-I570 HydrophobicContact CD1-CD1 4.32Å; Y564-I570 HydrophobicContact CD2-CG2 3.94Å; Y564-I570 HydrophobicContact CG-CG2 3.85Å; Y564-Y574 HydrophobicContact CD2-CE2 4.1Å
565	R	86.6	Confident	85.3	Confident	65 Å²	65	41.8 Å²	41.8	25%	0.245	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-19.1	-179.5	75.8	-169.2	169.6	-76.2	-14.6	115.8	C561 W562 E563 Y571 Y603	C561-R565 PolarHBondContact O-N 3.18Å; W562-R565 WeakPolarHBondContact O-CB 3.33Å; W562-R565 VanDerWaalsContact O-CD 3.28Å; W562-R565 WeakPolarHBondContact O-CD 3.49Å; W562-R565 WeakPolarHBondContact O-CG 3.46Å; W562-R565 PolarHBondContact O-NH1 2.96Å; E563-R565 VanDerWaalsContact C-N 3.25Å; E563-R565 PolarHBondContact O-N 3.17Å; E563-R565 PolarHBondContact O-NH1 3.21Å; R565-Y571 HydrophobicContact CB-CD2 4.12Å; R565-Y571 HydrophobicContact CB-CE2 3.89Å; R565-Y603 HydrophobicContact CB-CD1 4.13Å; R565-Y603 HydrophobicContact CB-CE1 3.8Å; R565-Y603 HydrophobicContact CG-CE1 3.95Å
566	E	84	Confident	85.4	Confident	144 Å²	144	36.6 Å²	36.6	67%	0.673	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-18	-179.4	-72.3	167.6	-155.5	0	0	112.7	Y564	Y564-E566 PolarHBondContact O-N 3.49Å
567	D	86.3	Confident	85.6	Confident	41 Å²	41	33.9 Å²	33.9	22%	0.219	17%	0.172	C	C	.	.	S	Bend	trans	-93.8	104.9	168.4	-174.2	-44.8	0	0	0	109.5	R446 Y564 D569 I570 Y571	R446-D567 IonicContact CZ-OD1 2.76Å; R446-D567 IonicContact CZ-OD2 2.61Å; R446-D567 IonicContact NE-OD1 3.12Å; R446-D567 IonicContact NE-OD2 2.78Å; R446-D567 PolarHBondContact NE-OD2 3.04Å; R446-D567 VanDerWaalsContact NH2-CG 3.34Å; R446-D567 IonicContact NH2-OD1 3.74Å; R446-D567 PolarHBondContact NH2-OD1 2.93Å; R446-D567 IonicContact NH2-OD2 3.67Å; R446-D567 PolarHBondContact NH2-OD2 3.32Å; Y564-D567 PolarHBondContact O-N 2.99Å; D567-D569 VanDerWaalsContact C-N 3.31Å; D567-D569 PolarHBondContact O-N 3.42Å; D567-D569 PolarHBondContact OD1-N 3.31Å; D567-I570 HydrophobicContact CB-CB 4.1Å; D567-I570 HydrophobicContact CB-CD1 3.99Å; D567-I570 HydrophobicContact CB-CG1 4.17Å; D567-I570 PolarHBondContact O-N 2.98Å; D567-I570 PolarHBondContact OD1-N 3.29Å; D567-I570 WeakPolarHBondContact OD2-CD1 3.48Å; D567-Y571 WeakPolarHBondContact O-CB 3.14Å; D567-Y571 PolarHBondContact O-N 3.23Å
568	V	85.3	Confident	85.8	Confident	73 Å²	73	33.6 Å²	33.6	44%	0.442	17%	0.17	S	C	.	.	H	α-helix	trans	-58.5	-37.1	-175.7	178.9	0	0	0	0	113.2	R572 D609	V568-R572 VanDerWaalsContact O-CB 3.27Å; V568-R572 WeakPolarHBondContact O-CB 3.5Å; V568-R572 PolarHBondContact O-N 3.23Å; V568-R572 VanDerWaalsContact O-N 3.13Å; V568-D609 HydrophobicContact CG1-CB 3.52Å
569	D	84.3	Confident	85.7	Confident	51 Å²	51	34.7 Å²	34.7	27%	0.273	18%	0.175	S	C	.	.	H	α-helix	trans	-78.3	-38.9	-177.9	-62.8	-50.9	0	0	0	111.9	R446 I450 D567 R572 E573	R446-D569 IonicContact CZ-OD2 3.23Å; R446-D569 VanDerWaalsContact CZ-OD2 3.24Å; R446-D569 IonicContact NH1-OD2 2.67Å; R446-D569 PolarHBondContact NH1-OD2 3.25Å; R446-D569 VanDerWaalsContact NH2-CB 3.33Å; R446-D569 IonicContact NH2-OD2 3.36Å; R446-D569 PolarHBondContact NH2-OD2 3.45Å; I450-D569 HydrophobicContact CD1-CB 3.76Å; D567-D569 VanDerWaalsContact C-N 3.31Å; D567-D569 PolarHBondContact O-N 3.42Å; D567-D569 PolarHBondContact OD1-N 3.31Å; D569-R572 IonicContact OD1-CZ 2.72Å; D569-R572 IonicContact OD1-NH1 3.74Å; D569-R572 PolarHBondContact OD1-NH1 2.99Å; D569-R572 IonicContact OD1-NH2 3.51Å; D569-R572 PolarHBondContact OD1-NH2 2.89Å; D569-E573 WeakPolarHBondContact O-CG 3.39Å
570	I	86.1	Confident	85.6	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-51.3	174.4	-62.4	175.5	0	0	0	109	I380 R446 V449 I450 Y564 D567 R572 E573 Y574	I380-I570 HydrophobicContact CD1-CD1 3.89Å; R446-I570 HydrophobicContact CG-CD1 4.21Å; R446-I570 HydrophobicContact CG-CG1 4.23Å; V449-I570 HydrophobicContact CG1-CD1 4.46Å; V449-I570 HydrophobicContact CG1-CG1 4.45Å; V449-I570 HydrophobicContact CG1-CG2 3.96Å; I450-I570 HydrophobicContact CD1-CG1 4.41Å; I450-I570 HydrophobicContact CG1-CG1 4.15Å; Y564-I570 HydrophobicContact CD1-CD1 4.32Å; Y564-I570 HydrophobicContact CD2-CG2 3.94Å; Y564-I570 HydrophobicContact CG-CG2 3.85Å; D567-I570 HydrophobicContact CB-CB 4.1Å; D567-I570 HydrophobicContact CB-CD1 3.99Å; D567-I570 HydrophobicContact CB-CG1 4.17Å; D567-I570 PolarHBondContact O-N 2.98Å; D567-I570 PolarHBondContact OD1-N 3.29Å; D567-I570 WeakPolarHBondContact OD2-CD1 3.48Å; I570-R572 VanDerWaalsContact C-N 3.3Å; I570-R572 PolarHBondContact O-N 3.12Å; I570-E573 PolarHBondContact O-N 2.8Å; I570-E573 VanDerWaalsContact O-N 3.13Å; I570-Y574 HydrophobicContact CG2-CD2 3.62Å; I570-Y574 HydrophobicContact CG2-CE2 3.54Å; I570-Y574 WeakPolarHBondContact O-CD2 3.07Å; I570-Y574 PolarHBondContact O-N 2.71Å; I570-Y574 VanDerWaalsContact O-N 3.14Å
571	Y	88.4	Confident	85.6	Confident	6 Å²	6	32.9 Å²	32.9	2%	0.024	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-41.1	-176	-171.5	-128.8	0	0	0	112.6	C561 R565 D567 E573 Y574 L575 S600 Y603 A604	C561-Y571 WeakPolarHBondContact O-CD2 3.26Å; C561-Y571 WeakPolarHBondContact O-CE2 3.49Å; C561-Y571 VanDerWaalsContact SG-CE2 3.58Å; R565-Y571 HydrophobicContact CB-CD2 4.12Å; R565-Y571 HydrophobicContact CB-CE2 3.89Å; D567-Y571 WeakPolarHBondContact O-CB 3.14Å; D567-Y571 PolarHBondContact O-N 3.23Å; Y571-E573 PolarHBondContact O-N 2.99Å; Y571-Y574 PolarHBondContact O-N 2.65Å; Y571-L575 HydrophobicContact CD1-CD1 3.87Å; Y571-L575 HydrophobicContact CD1-CG 4.44Å; Y571-L575 HydrophobicContact CE1-CD1 3.8Å; Y571-L575 HydrophobicContact CE1-CG 4.33Å; Y571-L575 HydrophobicContact CE2-CD2 4.43Å; Y571-L575 HydrophobicContact CE2-CG 4.45Å; Y571-L575 HydrophobicContact CG-CD1 4.41Å; Y571-L575 WeakPolarHBondContact O-CG 3.18Å; Y571-L575 PolarHBondContact O-N 2.92Å; Y571-S600 PolarHBondContact OH-O 2.99Å; Y571-Y603 HydrophobicContact CE1-CD1 4.06Å; Y571-A604 HydrophobicContact CE1-CB 3.93Å
572	R	88.8	Confident	85.7	Confident	38 Å²	38	32.9 Å²	32.9	14%	0.143	16%	0.159	C	C	.	.	H	α-helix	trans	-55.4	-46.8	174.9	179.4	-179.4	58.8	-117.4	-3.7	113.2	V568 D569 I570 L575 G576 D609 P611 S612	V568-R572 VanDerWaalsContact O-CB 3.27Å; V568-R572 WeakPolarHBondContact O-CB 3.5Å; V568-R572 PolarHBondContact O-N 3.23Å; V568-R572 VanDerWaalsContact O-N 3.13Å; D569-R572 IonicContact OD1-CZ 2.72Å; D569-R572 IonicContact OD1-NH1 3.74Å; D569-R572 PolarHBondContact OD1-NH1 2.99Å; D569-R572 IonicContact OD1-NH2 3.51Å; D569-R572 PolarHBondContact OD1-NH2 2.89Å; I570-R572 VanDerWaalsContact C-N 3.3Å; I570-R572 PolarHBondContact O-N 3.12Å; R572-L575 PolarHBondContact O-N 3.47Å; R572-G576 PolarHBondContact O-N 2.88Å; R572-D609 IonicContact NH1-OD1 2.72Å; R572-P611 VanDerWaalsContact CD-CB 3.5Å; R572-P611 HydrophobicContact CG-CB 4.19Å; R572-S612 WeakPolarHBondContact CB-OG 3.29Å
573	E	86.1	Confident	85.4	Confident	17 Å²	17	32.2 Å²	32.2	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-71.4	-33.5	-179.4	-47.1	-76.5	153.8	0	0	110.8	I450 A453 R454 D569 I570 Y571 G576 I577	I450-E573 HydrophobicContact CG1-CG 4.47Å; I450-E573 HydrophobicContact CG2-CG 4.08Å; A453-E573 HydrophobicContact CB-CB 3.73Å; R454-E573 WeakPolarHBondContact CB-OE2 3.5Å; R454-E573 IonicContact CZ-OE1 3.18Å; R454-E573 IonicContact CZ-OE2 2.71Å; R454-E573 IonicContact NE-OE1 3.01Å; R454-E573 IonicContact NE-OE2 3.94Å; R454-E573 PolarHBondContact NE-OE2 2.96Å; R454-E573 IonicContact NH2-OE1 2.98Å; R454-E573 PolarHBondContact NH2-OE1 3.38Å; R454-E573 IonicContact NH2-OE2 2.87Å; R454-E573 PolarHBondContact NH2-OE2 3.41Å; D569-E573 WeakPolarHBondContact O-CG 3.39Å; I570-E573 PolarHBondContact O-N 2.8Å; I570-E573 VanDerWaalsContact O-N 3.13Å; Y571-E573 PolarHBondContact O-N 2.99Å; E573-G576 PolarHBondContact O-N 2.98Å; E573-I577 PolarHBondContact O-N 3.41Å; E573-I577 VanDerWaalsContact O-N 3.11Å
574	Y	87.8	Confident	84.8	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-36	171.5	-86.8	-91.9	0	0	0	113.2	L376 V449 I557 K560 C561 Y564 I570 Y571 G576 I577	L376-Y574 WeakPolarHBondContact CB-OH 3.23Å; L376-Y574 HydrophobicContact CD2-CE2 4.31Å; L376-Y574 PolarHBondContact O-OH 3.01Å; V449-Y574 HydrophobicContact CG1-CE2 4.23Å; I557-Y574 HydrophobicContact CG2-CD1 4.19Å; I557-Y574 HydrophobicContact CG2-CE1 4.34Å; I557-Y574 WeakPolarHBondContact O-CD1 3.44Å; K560-Y574 HydrophobicContact CB-CE1 3.71Å; C561-Y574 HydrophobicContact CB-CD1 3.88Å; C561-Y574 HydrophobicContact CB-CG 4.16Å; Y564-Y574 HydrophobicContact CD2-CE2 4.1Å; I570-Y574 HydrophobicContact CG2-CD2 3.62Å; I570-Y574 HydrophobicContact CG2-CE2 3.54Å; I570-Y574 WeakPolarHBondContact O-CD2 3.07Å; I570-Y574 PolarHBondContact O-N 2.71Å; I570-Y574 VanDerWaalsContact O-N 3.14Å; Y571-Y574 PolarHBondContact O-N 2.65Å; Y574-G576 VanDerWaalsContact C-N 3.32Å; Y574-I577 HydrophobicContact CD1-CD1 4.48Å; Y574-I577 PolarHBondContact O-N 2.97Å
575	L	88.1	Confident	84.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-38.7	169.9	-69.5	169.9	0	0	0	111	Y571 R572 I577 L578 L601 A604 H615	Y571-L575 HydrophobicContact CD1-CD1 3.87Å; Y571-L575 HydrophobicContact CD1-CG 4.44Å; Y571-L575 HydrophobicContact CE1-CD1 3.8Å; Y571-L575 HydrophobicContact CE1-CG 4.33Å; Y571-L575 HydrophobicContact CE2-CD2 4.43Å; Y571-L575 HydrophobicContact CE2-CG 4.45Å; Y571-L575 HydrophobicContact CG-CD1 4.41Å; Y571-L575 WeakPolarHBondContact O-CG 3.18Å; Y571-L575 PolarHBondContact O-N 2.92Å; R572-L575 PolarHBondContact O-N 3.47Å; L575-I577 VanDerWaalsContact C-N 3.26Å; L575-I577 PolarHBondContact O-N 3.14Å; L575-L578 HydrophobicContact CD2-CD1 4.33Å; L575-L578 WeakPolarHBondContact O-CB 3.42Å; L575-L578 PolarHBondContact O-N 2.68Å; L575-L601 HydrophobicContact CD2-CD2 4.05Å; L575-A604 HydrophobicContact CD1-CB 3.65Å; L575-A604 HydrophobicContact CD2-CB 4.03Å; L575-H615 HydrophobicContact CB-CB 4.15Å
576	G	83.8	Confident	84.6	Confident	18 Å²	18	31.4 Å²	31.4	19%	0.186	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-28.9	173	0	0	0	0	0	114.3	R572 E573 Y574 P580	R572-G576 PolarHBondContact O-N 2.88Å; E573-G576 PolarHBondContact O-N 2.98Å; Y574-G576 VanDerWaalsContact C-N 3.32Å; G576-P580 WeakPolarHBondContact O-CD 3.22Å
577	I	85.6	Confident	84.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.9	-30.7	171.8	-67.8	164.2	0	0	0	112.1	A453 L456 L460 I557 E573 Y574 L575 E579 P580 L581	A453-I577 HydrophobicContact CB-CD1 3.96Å; A453-I577 WeakPolarHBondContact O-CG1 3.46Å; L456-I577 HydrophobicContact CB-CD1 4.38Å; L456-I577 HydrophobicContact CD2-CD1 4.1Å; L456-I577 HydrophobicContact CG-CD1 4.39Å; L460-I577 HydrophobicContact CD1-CG2 3.78Å; I557-I577 HydrophobicContact CG2-CG2 4.02Å; E573-I577 PolarHBondContact O-N 3.41Å; E573-I577 VanDerWaalsContact O-N 3.11Å; Y574-I577 HydrophobicContact CD1-CD1 4.48Å; Y574-I577 PolarHBondContact O-N 2.97Å; L575-I577 VanDerWaalsContact C-N 3.26Å; L575-I577 PolarHBondContact O-N 3.14Å; I577-E579 VanDerWaalsContact C-N 3.32Å; I577-E579 PolarHBondContact O-N 3.18Å; I577-P580 WeakPolarHBondContact O-CD 3.47Å; I577-P580 WeakPolarHBondContact O-CG 3.49Å; I577-L581 HydrophobicContact CG2-CD1 4.01Å; I577-L581 WeakPolarHBondContact O-CD1 3.35Å; I577-L581 WeakPolarHBondContact O-CG 3.43Å
578	L	87.9	Confident	84.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.8	-29.1	179.5	-57.8	-177.9	0	0	0	112.3	I558 L575 L581 L582 V592 L601	I558-L578 HydrophobicContact CG1-CD2 4.08Å; L575-L578 HydrophobicContact CD2-CD1 4.33Å; L575-L578 WeakPolarHBondContact O-CB 3.42Å; L575-L578 PolarHBondContact O-N 2.68Å; L578-L581 PolarHBondContact O-N 3.18Å; L578-L582 HydrophobicContact CB-CD1 4.47Å; L578-L582 WeakPolarHBondContact O-CG 3.36Å; L578-L582 PolarHBondContact O-N 2.97Å; L578-V592 HydrophobicContact CD2-CG1 4.23Å; L578-L601 HydrophobicContact CD1-CD2 3.95Å
579	E	82.8	Confident	84.8	Confident	26 Å²	26	21 Å²	21	12%	0.121	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-51.3	-176.7	-170.9	178.9	144.8	0	0	114.1	I577 K583 H615 V618 C619	I577-E579 VanDerWaalsContact C-N 3.32Å; I577-E579 PolarHBondContact O-N 3.18Å; E579-K583 HydrophobicContact CG-CD 4.4Å; E579-K583 WeakPolarHBondContact O-CD 3.45Å; E579-K583 VanDerWaalsContact O-CG 3.32Å; E579-K583 WeakPolarHBondContact O-CG 3.29Å; E579-K583 IonicContact OE1-NZ 3.39Å; E579-K583 PolarHBondContact OE1-NZ 3.12Å; E579-H615 IonicContact OE2-CD2 2.99Å; E579-H615 PolarHBondContact OE2-CD2 2.78Å; E579-V618 HydrophobicContact CG-CG1 3.89Å; E579-V618 WeakPolarHBondContact OE1-CG1 3.29Å; E579-C619 VanDerWaalsContact CA-SG 3.54Å; E579-C619 PolarHBondContact N-SG 3.49Å
580	P	80.4	Confident	85	Confident	17 Å²	17	20 Å²	20	11%	0.11	10%	0.103	C	C	.	.	H	α-helix	trans	-68.1	-33.6	175.5	26.3	-34.5	0	0	0	113	L460 L466 G576 I577 L582 K583	L460-P580 HydrophobicContact CB-CG 4.14Å; L466-P580 HydrophobicContact CD1-CB 4.47Å; L466-P580 WeakPolarHBondContact CD1-O 3.3Å; G576-P580 WeakPolarHBondContact O-CD 3.22Å; I577-P580 WeakPolarHBondContact O-CD 3.47Å; I577-P580 WeakPolarHBondContact O-CG 3.49Å; P580-L582 VanDerWaalsContact C-N 3.29Å; P580-L582 PolarHBondContact O-N 2.95Å; P580-K583 PolarHBondContact O-N 3.24Å
581	L	84.1	Confident	85	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-34.9	178.3	-67.4	172.2	0	0	0	112.2	L460 L466 L554 I577 L578 K583 M588 V592	L460-L581 HydrophobicContact CD1-CD2 4.36Å; L460-L581 HydrophobicContact CD2-CD2 4.27Å; L466-L581 HydrophobicContact CD2-CD2 4.02Å; L554-L581 HydrophobicContact CD2-CD1 3.85Å; L554-L581 HydrophobicContact CD2-CD2 3.94Å; I577-L581 HydrophobicContact CG2-CD1 4.01Å; I577-L581 WeakPolarHBondContact O-CD1 3.35Å; I577-L581 WeakPolarHBondContact O-CG 3.43Å; L578-L581 PolarHBondContact O-N 3.18Å; L581-K583 VanDerWaalsContact C-N 3.32Å; L581-K583 PolarHBondContact O-N 2.79Å; L581-M588 HydrophobicContact CB-CG 4.39Å; L581-M588 HydrophobicContact CD2-SD 4.16Å; L581-M588 WeakPolarHBondContact O-CG 3.39Å; L581-V592 HydrophobicContact CB-CG2 4.2Å
582	L	87.8	Confident	85	Confident	1 Å²	1	20 Å²	20	1%	0.005	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4.2	-179.3	-67	175	0	0	0	114.5	L578 P580 C589 V592 L601 C619 S622 L623 F626	L578-L582 HydrophobicContact CB-CD1 4.47Å; L578-L582 WeakPolarHBondContact O-CG 3.36Å; L578-L582 PolarHBondContact O-N 2.97Å; P580-L582 VanDerWaalsContact C-N 3.29Å; P580-L582 PolarHBondContact O-N 2.95Å; L582-C589 HydrophobicContact CD2-CB 4.28Å; L582-V592 HydrophobicContact CD2-CB 3.96Å; L582-V592 HydrophobicContact CD2-CG1 3.92Å; L582-V592 HydrophobicContact CD2-CG2 4.32Å; L582-V592 HydrophobicContact CG-CG1 4.46Å; L582-L601 HydrophobicContact CD1-CD1 4.1Å; L582-C619 HydrophobicContact CD1-CB 3.82Å; L582-S622 WeakPolarHBondContact O-CB 3.03Å; L582-L623 HydrophobicContact CD2-CD1 4.09Å; L582-F626 WeakPolarHBondContact O-CD2 3.23Å
583	K	80.1	Confident	85.1	Confident	55 Å²	55	18.9 Å²	18.9	24%	0.239	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	8.3	-174.8	-76.7	176.9	-176.9	179	0	115.3	E579 P580 L581 S622 F626	E579-K583 HydrophobicContact CG-CD 4.4Å; E579-K583 WeakPolarHBondContact O-CD 3.45Å; E579-K583 VanDerWaalsContact O-CG 3.32Å; E579-K583 WeakPolarHBondContact O-CG 3.29Å; E579-K583 IonicContact OE1-NZ 3.39Å; E579-K583 PolarHBondContact OE1-NZ 3.12Å; P580-K583 PolarHBondContact O-N 3.24Å; L581-K583 VanDerWaalsContact C-N 3.32Å; L581-K583 PolarHBondContact O-N 2.79Å; K583-S622 WeakPolarHBondContact CE-OG 3.43Å; K583-F626 HydrophobicContact CB-CE2 4.44Å; K583-F626 HydrophobicContact CG-CE2 4.42Å; K583-F626 WeakPolarHBondContact O-CE1 3.43Å
584	H	73.7	Confident	85.3	Confident	46 Å²	46	24.1 Å²	24.1	21%	0.213	13%	0.125	C	C	.	.	S	Bend	trans	-113	-74	-171.7	-149.1	-85.9	0	0	0	113	N463 L466 E467	N463-H584 PolarHBondContact O-NE2 3.06Å; L466-H584 HydrophobicContact CB-CB 4.26Å; L466-H584 WeakPolarHBondContact CB-CD2 3.46Å; L466-H584 HydrophobicContact CD1-CB 4.32Å; E467-H584 VanDerWaalsContact CA-CE1 3.47Å; E467-H584 WeakPolarHBondContact CA-CE1 3.47Å; E467-H584 PolarHBondContact N-NE2 2.92Å
585	T	80.4	Confident	85.2	Confident	26 Å²	26	26.1 Å²	26.1	16%	0.16	14%	0.136	C	C	.	.			trans	-131.1	155.5	-174.6	58.7	0	0	0	0	113.6	D470 T587 M588 C589	D470-T585 HydrophobicContact CB-CG2 4.15Å; D470-T585 VanDerWaalsContact CG-CG2 3.43Å; D470-T585 WeakPolarHBondContact OD1-CB 3.16Å; D470-T585 WeakPolarHBondContact OD1-CG2 3.42Å; D470-T585 PolarHBondContact OD1-OG1 3.18Å; T585-T587 VanDerWaalsContact C-N 3.25Å; T585-T587 WeakPolarHBondContact CB-OG1 3.27Å; T585-T587 PolarHBondContact O-N 3.47Å; T585-T587 PolarHBondContact OG1-OG1 2.82Å; T585-M588 PolarHBondContact O-N 3.3Å; T585-M588 WeakPolarHBondContact OG1-CB 3.45Å; T585-M588 PolarHBondContact OG1-N 2.84Å; T585-C589 PolarHBondContact O-N 3.19Å; T585-C589 PolarHBondContact O-SG 2.87Å
586	E	85.3	Confident	85.2	Confident	98 Å²	98	27.2 Å²	27.2	46%	0.458	15%	0.147	S	C	.	.	H	α-helix	trans	-55.5	-41	168	175.6	169	-170.8	0	0	111.4	M588 C589 D590 F626 G628	E586-M588 PolarHBondContact O-N 3.29Å; E586-C589 PolarHBondContact O-N 2.85Å; E586-D590 WeakPolarHBondContact O-CB 3.4Å; E586-D590 PolarHBondContact O-N 2.98Å; E586-F626 WeakPolarHBondContact CA-O 3.49Å; E586-F626 PolarHBondContact N-O 2.86Å; E586-G628 WeakPolarHBondContact OE1-CA 3.41Å
587	T	84.4	Confident	85.5	Confident	38 Å²	38	26.4 Å²	26.4	23%	0.233	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-38.4	175.3	27.5	0	0	0	0	113.7	D470 V474 T585 T591	D470-T587 PolarHBondContact OD1-OG1 3.47Å; V474-T587 HydrophobicContact CG2-CG2 4.14Å; T585-T587 VanDerWaalsContact C-N 3.25Å; T585-T587 WeakPolarHBondContact CB-OG1 3.27Å; T585-T587 PolarHBondContact O-N 3.47Å; T585-T587 PolarHBondContact OG1-OG1 2.82Å; T587-T591 WeakPolarHBondContact O-CB 3.24Å; T587-T591 PolarHBondContact O-N 3.01Å; T587-T591 VanDerWaalsContact O-N 3.14Å; T587-T591 PolarHBondContact O-OG1 3.08Å
588	M	85.4	Confident	85.8	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-71.9	-42.7	173.2	-169.9	67.7	74.1	0	0	111.3	L469 L473 L554 L581 T585 E586 T591 V592	L469-M588 HydrophobicContact CB-CE 4.02Å; L473-M588 HydrophobicContact CD1-CE 3.46Å; L473-M588 VanDerWaalsContact CD1-CE 3.46Å; L473-M588 HydrophobicContact CD1-SD 3.72Å; L554-M588 HydrophobicContact CD1-SD 3.87Å; L581-M588 HydrophobicContact CB-CG 4.39Å; L581-M588 HydrophobicContact CD2-SD 4.16Å; L581-M588 WeakPolarHBondContact O-CG 3.39Å; T585-M588 PolarHBondContact O-N 3.3Å; T585-M588 WeakPolarHBondContact OG1-CB 3.45Å; T585-M588 PolarHBondContact OG1-N 2.84Å; E586-M588 PolarHBondContact O-N 3.29Å; M588-T591 PolarHBondContact O-N 3.34Å; M588-V592 WeakPolarHBondContact O-CG2 3.49Å; M588-V592 PolarHBondContact O-N 3.13Å
589	C	89.3	Confident	86	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-53.2	177	-68.1	0	0	0	0	111.7	L582 T585 E586 T591 V592 V593 L623	L582-C589 HydrophobicContact CD2-CB 4.28Å; T585-C589 PolarHBondContact O-N 3.19Å; T585-C589 PolarHBondContact O-SG 2.87Å; E586-C589 PolarHBondContact O-N 2.85Å; C589-T591 VanDerWaalsContact C-N 3.29Å; C589-T591 PolarHBondContact O-N 2.71Å; C589-V592 PolarHBondContact O-N 3.18Å; C589-V592 VanDerWaalsContact O-N 3.12Å; C589-V593 WeakPolarHBondContact O-CG2 3.25Å; C589-V593 PolarHBondContact O-N 3.2Å; C589-L623 HydrophobicContact CB-CD1 3.9Å
590	D	88.1	Confident	86.4	Confident	31 Å²	31	31.8 Å²	31.8	17%	0.166	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-40.5	175.7	-76.2	-8.1	0	0	0	111.1	E586 V592 V593 E594 S631	E586-D590 WeakPolarHBondContact O-CB 3.4Å; E586-D590 PolarHBondContact O-N 2.98Å; D590-V592 VanDerWaalsContact C-N 3.34Å; D590-V592 PolarHBondContact O-N 3.26Å; D590-V593 PolarHBondContact O-N 3.33Å; D590-E594 VanDerWaalsContact O-CB 3.25Å; D590-E594 WeakPolarHBondContact O-CB 3.47Å; D590-E594 WeakPolarHBondContact O-CG 3.45Å; D590-E594 PolarHBondContact O-N 2.85Å; D590-S631 WeakPolarHBondContact OD1-CB 3.38Å; D590-S631 PolarHBondContact OD1-N 3.45Å; D590-S631 PolarHBondContact OD1-OG 3.47Å
591	T	86.8	Confident	87	Confident	6 Å²	6	31 Å²	31	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-38.1	176.7	-57.5	0	0	0	0	112.3	L473 T551 L554 T587 M588 C589 N595	L473-T591 HydrophobicContact CD2-CG2 4.34Å; T551-T591 HydrophobicContact CG2-CG2 4.4Å; L554-T591 HydrophobicContact CD1-CG2 4.07Å; T587-T591 WeakPolarHBondContact O-CB 3.24Å; T587-T591 PolarHBondContact O-N 3.01Å; T587-T591 VanDerWaalsContact O-N 3.14Å; T587-T591 PolarHBondContact O-OG1 3.08Å; M588-T591 PolarHBondContact O-N 3.34Å; C589-T591 VanDerWaalsContact C-N 3.29Å; C589-T591 PolarHBondContact O-N 2.71Å; T591-N595 PolarHBondContact O-N 3.23Å; T591-N595 PolarHBondContact O-ND2 3.45Å
592	V	89	Confident	87.3	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-40.1	174.9	171.8	0	0	0	0	111	I558 L578 L581 L582 M588 C589 D590 G596 G597	I558-V592 HydrophobicContact CD1-CB 4.27Å; I558-V592 HydrophobicContact CD1-CG1 4.11Å; I558-V592 HydrophobicContact CD1-CG2 4.29Å; L578-V592 HydrophobicContact CD2-CG1 4.23Å; L581-V592 HydrophobicContact CB-CG2 4.2Å; L582-V592 HydrophobicContact CD2-CB 3.96Å; L582-V592 HydrophobicContact CD2-CG1 3.92Å; L582-V592 HydrophobicContact CD2-CG2 4.32Å; L582-V592 HydrophobicContact CG-CG1 4.46Å; M588-V592 WeakPolarHBondContact O-CG2 3.49Å; M588-V592 PolarHBondContact O-N 3.13Å; C589-V592 PolarHBondContact O-N 3.18Å; C589-V592 VanDerWaalsContact O-N 3.12Å; D590-V592 VanDerWaalsContact C-N 3.34Å; D590-V592 PolarHBondContact O-N 3.26Å; V592-G596 PolarHBondContact O-N 2.95Å; V592-G597 WeakPolarHBondContact O-CA 3.21Å; V592-G597 PolarHBondContact O-N 2.9Å
593	V	91.1	Very high	87.5	Confident	15 Å²	15	35.6 Å²	35.6	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-48.8	178	171.8	0	0	0	0	111.9	C589 D590 N595 G596 L598 L623 E634	C589-V593 WeakPolarHBondContact O-CG2 3.25Å; C589-V593 PolarHBondContact O-N 3.2Å; D590-V593 PolarHBondContact O-N 3.33Å; V593-N595 PolarHBondContact O-N 2.87Å; V593-G596 PolarHBondContact O-N 2.95Å; V593-L598 HydrophobicContact CG2-CB 4.39Å; V593-L623 HydrophobicContact CG2-CD1 3.72Å; V593-L623 HydrophobicContact CG2-CD2 4.01Å; V593-E634 HydrophobicContact CG1-CB 3.78Å; V593-E634 HydrophobicContact CG1-CG 3.49Å; V593-E634 VanDerWaalsContact CG1-CG 3.49Å
594	E	88.6	Confident	88	Confident	127 Å²	127	33 Å²	33	59%	0.593	16%	0.16	S	C	*	.	H	α-helix	trans	-53.6	-36.6	176.2	-77.3	172.4	-143	0	0	112.1	K477 D590 G596	K477-E594 IonicContact NZ-OE1 2.67Å; K477-E594 PolarHBondContact NZ-OE1 3.32Å; D590-E594 VanDerWaalsContact O-CB 3.25Å; D590-E594 WeakPolarHBondContact O-CB 3.47Å; D590-E594 WeakPolarHBondContact O-CG 3.45Å; D590-E594 PolarHBondContact O-N 2.85Å; E594-G596 VanDerWaalsContact C-N 3.33Å
595	N	86.6	Confident	88.8	Confident	42 Å²	42	31.3 Å²	31.3	23%	0.225	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.6	178.2	-72.9	-79	0	0	0	114.1	K555 I558 T591 V593	K555-N595 VanDerWaalsContact CB-OD1 3.28Å; K555-N595 WeakPolarHBondContact CB-OD1 3.48Å; K555-N595 WeakPolarHBondContact CD-OD1 3.32Å; K555-N595 VanDerWaalsContact CG-OD1 3.25Å; K555-N595 WeakPolarHBondContact CG-OD1 3.47Å; I558-N595 HydrophobicContact CD1-CB 3.82Å; I558-N595 HydrophobicContact CG2-CB 4.47Å; I558-N595 VanDerWaalsContact CG2-O 3.26Å; I558-N595 WeakPolarHBondContact CG2-O 3.31Å; T591-N595 PolarHBondContact O-N 3.23Å; T591-N595 PolarHBondContact O-ND2 3.45Å; V593-N595 PolarHBondContact O-N 2.87Å
596	G	88	Confident	89.2	Confident	24 Å²	24	37.6 Å²	37.6	25%	0.247	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	11.2	173.4	0	0	0	0	0	115.7	V592 V593 E594 L598 R599 S600	V592-G596 PolarHBondContact O-N 2.95Å; V593-G596 PolarHBondContact O-N 2.95Å; E594-G596 VanDerWaalsContact C-N 3.33Å; G596-L598 VanDerWaalsContact C-N 3.32Å; G596-L598 PolarHBondContact O-N 3.17Å; G596-R599 VanDerWaalsContact O-CB 3.27Å; G596-R599 WeakPolarHBondContact O-CB 3.38Å; G596-R599 PolarHBondContact O-N 2.6Å; G596-S600 PolarHBondContact O-N 3.05Å
597	G	89.5	Confident	89.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-40.3	-179	0	0	0	0	0	113.4	V592 R599 S600 L601	V592-G597 WeakPolarHBondContact O-CA 3.21Å; V592-G597 PolarHBondContact O-N 2.9Å; G597-R599 VanDerWaalsContact C-N 3.29Å; G597-R599 PolarHBondContact O-N 3.28Å; G597-S600 WeakPolarHBondContact O-CB 3.14Å; G597-S600 PolarHBondContact O-N 3.22Å; G597-S600 VanDerWaalsContact O-N 3.1Å; G597-L601 PolarHBondContact O-N 3.03Å
598	L	92.5	Very high	89.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-37.3	174.7	176.4	64.4	0	0	0	112.6	V593 G596 S600 L601 I602 L620 L623 E634 M635 Q638 A640	V593-L598 HydrophobicContact CG2-CB 4.39Å; G596-L598 VanDerWaalsContact C-N 3.32Å; G596-L598 PolarHBondContact O-N 3.17Å; L598-S600 VanDerWaalsContact C-N 3.26Å; L598-S600 PolarHBondContact O-N 3.12Å; L598-L601 PolarHBondContact O-N 2.96Å; L598-L601 VanDerWaalsContact O-N 3.1Å; L598-I602 HydrophobicContact CD1-CD1 3.97Å; L598-I602 HydrophobicContact CD1-CG1 4.13Å; L598-I602 HydrophobicContact CD2-CD1 4.33Å; L598-I602 HydrophobicContact CG-CD1 3.78Å; L598-I602 HydrophobicContact CG-CG1 4.37Å; L598-I602 WeakPolarHBondContact O-CG1 3.5Å; L598-I602 PolarHBondContact O-N 2.87Å; L598-L620 HydrophobicContact CD1-CD2 3.83Å; L598-L623 HydrophobicContact CD1-CD2 3.94Å; L598-E634 HydrophobicContact CD2-CB 4.44Å; L598-E634 HydrophobicContact CD2-CG 4.02Å; L598-M635 HydrophobicContact CD1-CG 4.2Å; L598-M635 HydrophobicContact CD2-CG 4.05Å; L598-Q638 HydrophobicContact CD2-CB 4.35Å; L598-Q638 HydrophobicContact CD2-CG 4.37Å; L598-A640 HydrophobicContact CD1-CB 4.31Å
599	R	92.1	Very high	89.5	Confident	138 Å²	138	40.3 Å²	40.3	52%	0.521	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-38.2	177	-168.8	-168.6	176	177	-0.1	110.8	W562 G596 G597 Y603	W562-R599 HydrophobicContact CE3-CG 4.28Å; W562-R599 HydrophobicContact CH2-CG 4Å; W562-R599 HydrophobicContact CZ3-CB 4.4Å; W562-R599 HydrophobicContact CZ3-CG 3.71Å; G596-R599 VanDerWaalsContact O-CB 3.27Å; G596-R599 WeakPolarHBondContact O-CB 3.38Å; G596-R599 PolarHBondContact O-N 2.6Å; G597-R599 VanDerWaalsContact C-N 3.29Å; G597-R599 PolarHBondContact O-N 3.28Å; R599-Y603 PolarHBondContact O-N 2.78Å
600	S	91.1	Very high	89.5	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-47.3	171.2	-60.2	0	0	0	0	111.4	Y571 G596 G597 L598 I602 Y603 A604	Y571-S600 PolarHBondContact OH-O 2.99Å; G596-S600 PolarHBondContact O-N 3.05Å; G597-S600 WeakPolarHBondContact O-CB 3.14Å; G597-S600 PolarHBondContact O-N 3.22Å; G597-S600 VanDerWaalsContact O-N 3.1Å; L598-S600 VanDerWaalsContact C-N 3.26Å; L598-S600 PolarHBondContact O-N 3.12Å; S600-I602 VanDerWaalsContact C-N 3.31Å; S600-I602 PolarHBondContact O-N 3.13Å; S600-Y603 PolarHBondContact O-N 2.98Å; S600-Y603 VanDerWaalsContact O-N 3.11Å; S600-A604 PolarHBondContact O-N 3.43Å
601	L	92.6	Very high	89.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-42.9	177.4	-59.4	-179.7	0	0	0	112.3	L575 L578 L582 G597 L598 A604 C605 C619 L620	L575-L601 HydrophobicContact CD2-CD2 4.05Å; L578-L601 HydrophobicContact CD1-CD2 3.95Å; L582-L601 HydrophobicContact CD1-CD1 4.1Å; G597-L601 PolarHBondContact O-N 3.03Å; L598-L601 PolarHBondContact O-N 2.96Å; L598-L601 VanDerWaalsContact O-N 3.1Å; L601-A604 WeakPolarHBondContact O-CB 3.45Å; L601-A604 PolarHBondContact O-N 3.12Å; L601-C605 PolarHBondContact O-N 3.39Å; L601-C605 VanDerWaalsContact O-N 3.08Å; L601-C605 PolarHBondContact O-SG 3.02Å; L601-C619 HydrophobicContact CD1-CB 3.7Å; L601-C619 HydrophobicContact CD2-CB 3.49Å; L601-C619 VanDerWaalsContact CD2-CB 3.49Å; L601-C619 HydrophobicContact CG-CB 4.25Å; L601-L620 HydrophobicContact CB-CD2 4.26Å; L601-L620 HydrophobicContact CB-CG 4.45Å; L601-L620 HydrophobicContact CD1-CD2 4.16Å; L601-L620 HydrophobicContact CD1-CG 4.39Å
602	I	92.1	Very high	89.5	Confident	13 Å²	13	44 Å²	44	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-33.5	178.1	-66.4	166.4	0	0	0	112	L598 S600 C605 Q638 A640 W643	L598-I602 HydrophobicContact CD1-CD1 3.97Å; L598-I602 HydrophobicContact CD1-CG1 4.13Å; L598-I602 HydrophobicContact CD2-CD1 4.33Å; L598-I602 HydrophobicContact CG-CD1 3.78Å; L598-I602 HydrophobicContact CG-CG1 4.37Å; L598-I602 WeakPolarHBondContact O-CG1 3.5Å; L598-I602 PolarHBondContact O-N 2.87Å; S600-I602 VanDerWaalsContact C-N 3.31Å; S600-I602 PolarHBondContact O-N 3.13Å; I602-C605 WeakPolarHBondContact O-CB 3.37Å; I602-Q638 HydrophobicContact CD1-CB 3.42Å; I602-Q638 VanDerWaalsContact CD1-CB 3.42Å; I602-Q638 HydrophobicContact CD1-CG 4.47Å; I602-A640 HydrophobicContact CD1-CB 3.95Å; I602-A640 HydrophobicContact CG1-CB 4.19Å; I602-W643 HydrophobicContact CG2-CG 4.37Å
603	Y	91	Very high	89.6	Confident	83 Å²	83	44.3 Å²	44.3	33%	0.325	23%	0.227	S	C	.	.	H	α-helix	trans	-68.4	-42.9	171.3	-175.5	-93.5	0	0	0	111.4	W562 R565 Y571 R599 S600 C605 R606	W562-Y603 HydrophobicContact CH2-CD2 4.26Å; W562-Y603 HydrophobicContact CH2-CG 4.41Å; W562-Y603 HydrophobicContact CZ3-CG 4.26Å; R565-Y603 HydrophobicContact CB-CD1 4.13Å; R565-Y603 HydrophobicContact CB-CE1 3.8Å; R565-Y603 HydrophobicContact CG-CE1 3.95Å; Y571-Y603 HydrophobicContact CE1-CD1 4.06Å; R599-Y603 PolarHBondContact O-N 2.78Å; S600-Y603 PolarHBondContact O-N 2.98Å; S600-Y603 VanDerWaalsContact O-N 3.11Å; Y603-C605 PolarHBondContact O-N 3.18Å; Y603-R606 WeakPolarHBondContact O-CB 3.34Å; Y603-R606 PolarHBondContact O-N 3.04Å
604	A	90.4	Very high	89.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-31.6	176.6	0	0	0	0	0	113	Y571 L575 S600 L601 R606 S607 L613 A616	Y571-A604 HydrophobicContact CE1-CB 3.93Å; L575-A604 HydrophobicContact CD1-CB 3.65Å; L575-A604 HydrophobicContact CD2-CB 4.03Å; S600-A604 PolarHBondContact O-N 3.43Å; L601-A604 WeakPolarHBondContact O-CB 3.45Å; L601-A604 PolarHBondContact O-N 3.12Å; A604-R606 PolarHBondContact O-N 3.31Å; A604-S607 WeakPolarHBondContact O-CB 3.24Å; A604-S607 PolarHBondContact O-N 2.91Å; A604-S607 PolarHBondContact O-OG 2.8Å; A604-L613 VanDerWaalsContact O-CD2 3.3Å; A604-L613 WeakPolarHBondContact O-CD2 3.46Å; A604-A616 HydrophobicContact CB-CB 3.93Å
605	C	90.9	Very high	89.7	Confident	11 Å²	11	41.2 Å²	41.2	7%	0.074	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.4	172.9	-64.1	0	0	0	0	114.5	L601 I602 Y603 W643 L647	L601-C605 PolarHBondContact O-N 3.39Å; L601-C605 VanDerWaalsContact O-N 3.08Å; L601-C605 PolarHBondContact O-SG 3.02Å; I602-C605 WeakPolarHBondContact O-CB 3.37Å; Y603-C605 PolarHBondContact O-N 3.18Å; C605-W643 HydrophobicContact CB-CB 4.38Å; C605-W643 HydrophobicContact CB-CD2 4.44Å; C605-W643 HydrophobicContact CB-CE3 4.08Å; C605-L647 HydrophobicContact CB-CD2 4.47Å
606	R	89.2	Confident	90	Very high	159 Å²	159	39.2 Å²	39.2	60%	0.6	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.7	176.1	-54.2	177.6	-175.1	-172.4	0.9	113.4	Y603 A604 W643	Y603-R606 WeakPolarHBondContact O-CB 3.34Å; Y603-R606 PolarHBondContact O-N 3.04Å; A604-R606 PolarHBondContact O-N 3.31Å; R606-W643 HydrophobicContact CG-CE3 4.39Å; R606-W643 HydrophobicContact CG-CH2 3.68Å; R606-W643 HydrophobicContact CG-CZ2 4.4Å; R606-W643 HydrophobicContact CG-CZ3 3.66Å
607	S	86.3	Confident	90.3	Very high	36 Å²	36	38 Å²	38	25%	0.252	19%	0.187	S	C	.	.			trans	-74	154	-177.9	71.2	0	0	0	0	111.7	A604 L613	A604-S607 WeakPolarHBondContact O-CB 3.24Å; A604-S607 PolarHBondContact O-N 2.91Å; A604-S607 PolarHBondContact O-OG 2.8Å; S607-L613 WeakPolarHBondContact O-CD1 3.04Å
608	S	85.8	Confident	90.3	Very high	126 Å²	126	38 Å²	38	88%	0.881	19%	0.187	S	C	*	.			trans	-94.7	4.3	169.1	55.8	0	0	0	0	113	L610	S608-L610 PolarHBondContact O-N 3.45Å
609	D	88	Confident	90.3	Very high	32 Å²	32	38 Å²	38	17%	0.171	19%	0.187	C	C	.	.			trans	-82.8	108.5	178.1	-178.5	67.8	0	0	0	110.1	V568 R572 P611 S612 L613	V568-D609 HydrophobicContact CG1-CB 3.52Å; R572-D609 IonicContact NH1-OD1 2.72Å; D609-P611 WeakPolarHBondContact OD2-CD 3.4Å; D609-S612 PolarHBondContact O-N 2.88Å; D609-S612 VanDerWaalsContact OD2-CB 3.24Å; D609-S612 WeakPolarHBondContact OD2-CB 3.23Å; D609-S612 PolarHBondContact OD2-N 2.81Å; D609-S612 PolarHBondContact OD2-OG 3.18Å; D609-L613 PolarHBondContact O-N 3.41Å
610	L	88.8	Confident	90.4	Very high	64 Å²	64	31.5 Å²	31.5	34%	0.335	16%	0.162	S	C	.	.	H	α-helix	trans	-57.2	-43	-173.8	179.5	68.3	0	0	0	113.3	S608 R614 D652 I655	S608-L610 PolarHBondContact O-N 3.45Å; L610-R614 WeakPolarHBondContact O-CG 3.34Å; L610-R614 PolarHBondContact O-N 2.86Å; L610-D652 HydrophobicContact CD1-CB 3.62Å; L610-I655 HydrophobicContact CD1-CD1 3.57Å
611	P	86.3	Confident	90.5	Very high	49 Å²	49	31.4 Å²	31.4	32%	0.318	16%	0.162	S	C	.	.	H	α-helix	trans	-63.7	-40.1	171.9	-24.2	35.5	0	0	0	114.2	R572 D609 R614 H615	R572-P611 VanDerWaalsContact CD-CB 3.5Å; R572-P611 HydrophobicContact CG-CB 4.19Å; D609-P611 WeakPolarHBondContact OD2-CD 3.4Å; P611-R614 PolarHBondContact O-N 3.12Å; P611-H615 PolarHBondContact O-N 3.32Å; P611-H615 PolarHBondContact O-ND1 3.43Å
612	S	90	Very high	90.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-41.2	177.5	-62.9	0	0	0	0	111.8	R572 D609 H615 A616	R572-S612 WeakPolarHBondContact CB-OG 3.29Å; D609-S612 PolarHBondContact O-N 2.88Å; D609-S612 VanDerWaalsContact OD2-CB 3.24Å; D609-S612 WeakPolarHBondContact OD2-CB 3.23Å; D609-S612 PolarHBondContact OD2-N 2.81Å; D609-S612 PolarHBondContact OD2-OG 3.18Å; S612-H615 PolarHBondContact O-N 3.48Å; S612-A616 WeakPolarHBondContact O-CB 3.47Å; S612-A616 PolarHBondContact O-N 3.11Å
613	L	91.7	Very high	90.4	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-38.6	172.3	-71.2	174	0	0	0	112.7	A604 S607 D609 A616 A617 L647 I655	A604-L613 VanDerWaalsContact O-CD2 3.3Å; A604-L613 WeakPolarHBondContact O-CD2 3.46Å; S607-L613 WeakPolarHBondContact O-CD1 3.04Å; D609-L613 PolarHBondContact O-N 3.41Å; L613-A616 PolarHBondContact O-N 3.46Å; L613-A617 WeakPolarHBondContact O-CB 3.29Å; L613-A617 PolarHBondContact O-N 3.33Å; L613-L647 HydrophobicContact CD2-CD2 3.95Å; L613-I655 HydrophobicContact CB-CD1 3.43Å; L613-I655 VanDerWaalsContact CB-CD1 3.43Å; L613-I655 HydrophobicContact CB-CG1 4.26Å; L613-I655 HydrophobicContact CD1-CD1 4.17Å; L613-I655 HydrophobicContact CG-CD1 4.47Å
614	R	91.3	Very high	90.5	Very high	42 Å²	42	27 Å²	27	16%	0.158	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-48.1	175.4	-76	173.7	-178.3	164.7	1.7	111.7	L610 P611 A616 A617 V618 D652 I655 A705	L610-R614 WeakPolarHBondContact O-CG 3.34Å; L610-R614 PolarHBondContact O-N 2.86Å; P611-R614 PolarHBondContact O-N 3.12Å; R614-A616 VanDerWaalsContact C-N 3.35Å; R614-A616 PolarHBondContact O-N 2.78Å; R614-A617 PolarHBondContact O-N 3.12Å; R614-V618 WeakPolarHBondContact O-CG2 2.98Å; R614-V618 PolarHBondContact O-N 3.34Å; R614-D652 IonicContact CZ-OD2 2.73Å; R614-D652 IonicContact NE-OD1 3.21Å; R614-D652 IonicContact NE-OD2 2.64Å; R614-D652 PolarHBondContact NE-OD2 3Å; R614-D652 IonicContact NH2-OD2 2.71Å; R614-D652 PolarHBondContact NH2-OD2 3.2Å; R614-I655 HydrophobicContact CB-CG1 4.48Å; R614-I655 HydrophobicContact CG-CD1 3.97Å; R614-I655 HydrophobicContact CG-CG1 3.7Å; R614-A705 VanDerWaalsContact NH1-CA 3.35Å; R614-A705 PolarHBondContact NH1-O 3.16Å
615	H	89.4	Confident	90.6	Very high	34 Å²	34	27.5 Å²	27.5	16%	0.157	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-43.9	174	-67	100.6	0	0	0	111.1	L575 E579 P611 S612 A617 V618 C619	L575-H615 HydrophobicContact CB-CB 4.15Å; E579-H615 IonicContact OE2-CD2 2.99Å; E579-H615 PolarHBondContact OE2-CD2 2.78Å; P611-H615 PolarHBondContact O-N 3.32Å; P611-H615 PolarHBondContact O-ND1 3.43Å; S612-H615 PolarHBondContact O-N 3.48Å; H615-A617 VanDerWaalsContact C-N 3.34Å; H615-A617 PolarHBondContact O-N 3.18Å; H615-V618 PolarHBondContact O-N 2.73Å; H615-C619 VanDerWaalsContact O-CB 3.26Å; H615-C619 WeakPolarHBondContact O-CB 3.47Å; H615-C619 PolarHBondContact O-N 2.99Å; H615-C619 PolarHBondContact O-SG 3.42Å
616	A	92.8	Very high	90.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.2	-44.5	177.5	0	0	0	0	0	112.3	A604 S612 L613 R614 C619 L620	A604-A616 HydrophobicContact CB-CB 3.93Å; S612-A616 WeakPolarHBondContact O-CB 3.47Å; S612-A616 PolarHBondContact O-N 3.11Å; L613-A616 PolarHBondContact O-N 3.46Å; R614-A616 VanDerWaalsContact C-N 3.35Å; R614-A616 PolarHBondContact O-N 2.78Å; A616-C619 PolarHBondContact O-N 3.12Å; A616-L620 WeakPolarHBondContact O-CB 3.46Å; A616-L620 VanDerWaalsContact O-CG 3.28Å; A616-L620 WeakPolarHBondContact O-CG 3.26Å; A616-L620 PolarHBondContact O-N 3.19Å
617	A	93.5	Very high	90.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-42.1	177.3	0	0	0	0	0	112.8	L613 R614 H615 M621 L647 F658	L613-A617 WeakPolarHBondContact O-CB 3.29Å; L613-A617 PolarHBondContact O-N 3.33Å; R614-A617 PolarHBondContact O-N 3.12Å; H615-A617 VanDerWaalsContact C-N 3.34Å; H615-A617 PolarHBondContact O-N 3.18Å; A617-M621 WeakPolarHBondContact O-CB 3.39Å; A617-M621 PolarHBondContact O-N 2.87Å; A617-L647 HydrophobicContact CB-CD1 4.41Å; A617-F658 HydrophobicContact CB-CB 3.94Å
618	V	90.1	Very high	90.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.4	-36.1	176.8	-179.8	0	0	0	0	111.7	E579 R614 H615 M621 S622 F658 F706	E579-V618 HydrophobicContact CG-CG1 3.89Å; E579-V618 WeakPolarHBondContact OE1-CG1 3.29Å; R614-V618 WeakPolarHBondContact O-CG2 2.98Å; R614-V618 PolarHBondContact O-N 3.34Å; H615-V618 PolarHBondContact O-N 2.73Å; V618-M621 PolarHBondContact O-N 3.09Å; V618-S622 WeakPolarHBondContact O-CB 3.08Å; V618-S622 PolarHBondContact O-N 2.93Å; V618-S622 PolarHBondContact O-OG 3.44Å; V618-F658 HydrophobicContact CG2-CD1 4.41Å; V618-F658 HydrophobicContact CG2-CD2 3.67Å; V618-F658 HydrophobicContact CG2-CE1 4.4Å; V618-F658 HydrophobicContact CG2-CE2 3.64Å; V618-F658 HydrophobicContact CG2-CG 4.08Å; V618-F658 HydrophobicContact CG2-CZ 4.03Å; V618-F706 HydrophobicContact CG2-CE1 4.41Å; V618-F706 HydrophobicContact CG2-CZ 3.85Å
619	C	92.2	Very high	90.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-42.8	174	-74.6	0	0	0	0	112.2	E579 L582 L601 H615 A616 S622 L623	E579-C619 VanDerWaalsContact CA-SG 3.54Å; E579-C619 PolarHBondContact N-SG 3.49Å; L582-C619 HydrophobicContact CD1-CB 3.82Å; L601-C619 HydrophobicContact CD1-CB 3.7Å; L601-C619 HydrophobicContact CD2-CB 3.49Å; L601-C619 VanDerWaalsContact CD2-CB 3.49Å; L601-C619 HydrophobicContact CG-CB 4.25Å; H615-C619 VanDerWaalsContact O-CB 3.26Å; H615-C619 WeakPolarHBondContact O-CB 3.47Å; H615-C619 PolarHBondContact O-N 2.99Å; H615-C619 PolarHBondContact O-SG 3.42Å; A616-C619 PolarHBondContact O-N 3.12Å; C619-S622 PolarHBondContact O-N 2.88Å; C619-L623 WeakPolarHBondContact O-CB 3.15Å; C619-L623 PolarHBondContact O-N 3.14Å
620	L	94.4	Very high	90.3	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-40.7	174.7	-71.6	169.4	0	0	0	111.8	L598 L601 A616 L623 A624 M635 L644 L647 T662	L598-L620 HydrophobicContact CD1-CD2 3.83Å; L601-L620 HydrophobicContact CB-CD2 4.26Å; L601-L620 HydrophobicContact CB-CG 4.45Å; L601-L620 HydrophobicContact CD1-CD2 4.16Å; L601-L620 HydrophobicContact CD1-CG 4.39Å; A616-L620 WeakPolarHBondContact O-CB 3.46Å; A616-L620 VanDerWaalsContact O-CG 3.28Å; A616-L620 WeakPolarHBondContact O-CG 3.26Å; A616-L620 PolarHBondContact O-N 3.19Å; L620-L623 PolarHBondContact O-N 3.26Å; L620-A624 PolarHBondContact O-N 3.34Å; L620-M635 HydrophobicContact CD2-CE 4.18Å; L620-L644 HydrophobicContact CB-CD2 4.49Å; L620-L644 HydrophobicContact CD1-CD2 4.1Å; L620-L647 HydrophobicContact CD1-CD1 4.12Å; L620-T662 HydrophobicContact CB-CG2 4.46Å
621	M	93.3	Very high	90.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.5	-42.9	172.7	-178.8	67.4	-157.3	0	0	112	A617 V618 A624 L625 F658 L661 T662 V665 W747 L751	A617-M621 WeakPolarHBondContact O-CB 3.39Å; A617-M621 PolarHBondContact O-N 2.87Å; V618-M621 PolarHBondContact O-N 3.09Å; M621-A624 PolarHBondContact O-N 3.2Å; M621-L625 HydrophobicContact CE-CD1 3.62Å; M621-L625 HydrophobicContact CE-CD2 4.1Å; M621-L625 HydrophobicContact CE-CG 3.78Å; M621-L625 PolarHBondContact O-N 3.23Å; M621-L625 VanDerWaalsContact O-N 3.15Å; M621-F658 HydrophobicContact CB-CD1 4.34Å; M621-F658 HydrophobicContact CG-CD1 4.1Å; M621-L661 HydrophobicContact CE-CB 4.34Å; M621-L661 HydrophobicContact CE-CD2 3.52Å; M621-L661 HydrophobicContact CE-CG 3.53Å; M621-L661 HydrophobicContact SD-CB 3.81Å; M621-L661 HydrophobicContact SD-CD2 3.84Å; M621-L661 HydrophobicContact SD-CG 3.68Å; M621-T662 VanDerWaalsContact CA-OG1 3.28Å; M621-T662 WeakPolarHBondContact CA-OG1 3.48Å; M621-T662 WeakPolarHBondContact CB-OG1 3.32Å; M621-T662 PolarHBondContact N-OG1 3.24Å; M621-T662 PolarHBondContact SD-N 2.74Å; M621-T662 VanDerWaalsContact SD-N 3.39Å; M621-V665 HydrophobicContact CE-CG2 3.65Å; M621-V665 HydrophobicContact SD-CG2 4.47Å; M621-W747 HydrophobicContact CB-CH2 4.23Å; M621-W747 HydrophobicContact CE-CZ2 4.03Å; M621-W747 HydrophobicContact CG-CH2 3.45Å; M621-W747 VanDerWaalsContact CG-CH2 3.45Å; M621-W747 HydrophobicContact CG-CZ2 3.66Å; M621-W747 HydrophobicContact CG-CZ3 4.49Å; M621-L751 HydrophobicContact CE-CD2 4.02Å
622	S	91.3	Very high	90.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.6	-44.3	177.9	-53.8	0	0	0	0	110.5	L582 K583 V618 C619 A624 L625 F626	L582-S622 WeakPolarHBondContact O-CB 3.03Å; K583-S622 WeakPolarHBondContact CE-OG 3.43Å; V618-S622 WeakPolarHBondContact O-CB 3.08Å; V618-S622 PolarHBondContact O-N 2.93Å; V618-S622 PolarHBondContact O-OG 3.44Å; C619-S622 PolarHBondContact O-N 2.88Å; S622-A624 VanDerWaalsContact C-N 3.28Å; S622-A624 PolarHBondContact O-N 2.79Å; S622-L625 PolarHBondContact O-N 3.29Å; S622-L625 VanDerWaalsContact O-N 3.09Å; S622-F626 WeakPolarHBondContact O-CD2 3.46Å; S622-F626 PolarHBondContact O-N 2.77Å
623	L	92.6	Very high	90.5	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-34.6	175.5	-173	62.1	0	0	0	112.7	L582 C589 V593 L598 C619 L620 G627 M635	L582-L623 HydrophobicContact CD2-CD1 4.09Å; C589-L623 HydrophobicContact CB-CD1 3.9Å; V593-L623 HydrophobicContact CG2-CD1 3.72Å; V593-L623 HydrophobicContact CG2-CD2 4.01Å; L598-L623 HydrophobicContact CD1-CD2 3.94Å; C619-L623 WeakPolarHBondContact O-CB 3.15Å; C619-L623 PolarHBondContact O-N 3.14Å; L620-L623 PolarHBondContact O-N 3.26Å; L623-G627 WeakPolarHBondContact O-CA 3.33Å; L623-G627 PolarHBondContact O-N 3.44Å; L623-M635 HydrophobicContact CB-SD 4.38Å; L623-M635 HydrophobicContact CD2-CG 3.8Å; L623-M635 HydrophobicContact CD2-SD 3.73Å; L623-M635 HydrophobicContact CG-CG 4.45Å; L623-M635 HydrophobicContact CG-SD 3.82Å
624	A	93	Very high	90.4	Very high	4 Å²	4	17 Å²	17	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-72.6	-26.2	174.7	0	0	0	0	0	114.2	L620 M621 S622 H632 T662 V665 L666	L620-A624 PolarHBondContact O-N 3.34Å; M621-A624 PolarHBondContact O-N 3.2Å; S622-A624 VanDerWaalsContact C-N 3.28Å; S622-A624 PolarHBondContact O-N 2.79Å; A624-H632 PolarHBondContact O-NE2 3.44Å; A624-T662 HydrophobicContact CB-CG2 3.85Å; A624-V665 HydrophobicContact CB-CB 4.37Å; A624-V665 HydrophobicContact CB-CG1 4.04Å; A624-V665 VanDerWaalsContact O-CG1 3.24Å; A624-V665 WeakPolarHBondContact O-CG1 3.3Å; A624-L666 HydrophobicContact CB-CD2 3.65Å; A624-L666 HydrophobicContact CB-CG 3.96Å
625	L	90.8	Very high	90.4	Very high	9 Å²	9	15 Å²	15	5%	0.047	10%	0.101	C	C	.	.	H	α-helix	trans	-88.1	-43.6	177.5	-74	174.5	0	0	0	113.2	M621 S622 V665 W747 R750 L751	M621-L625 HydrophobicContact CE-CD1 3.62Å; M621-L625 HydrophobicContact CE-CD2 4.1Å; M621-L625 HydrophobicContact CE-CG 3.78Å; M621-L625 PolarHBondContact O-N 3.23Å; M621-L625 VanDerWaalsContact O-N 3.15Å; S622-L625 PolarHBondContact O-N 3.29Å; S622-L625 VanDerWaalsContact O-N 3.09Å; L625-V665 HydrophobicContact CD2-CG1 4.13Å; L625-V665 HydrophobicContact CD2-CG2 3.79Å; L625-V665 HydrophobicContact CG-CG2 4.46Å; L625-W747 HydrophobicContact CD1-CD2 3.38Å; L625-W747 HydrophobicContact CD1-CE3 3.62Å; L625-W747 HydrophobicContact CD1-CG 3.84Å; L625-W747 HydrophobicContact CD1-CH2 4.07Å; L625-W747 HydrophobicContact CD1-CZ2 3.89Å; L625-W747 HydrophobicContact CD1-CZ3 3.95Å; L625-R750 HydrophobicContact CB-CB 4.48Å; L625-R750 HydrophobicContact CD2-CB 3.8Å; L625-R750 WeakPolarHBondContact O-CD 3.48Å; L625-R750 PolarHBondContact O-NH1 2.78Å; L625-L751 HydrophobicContact CD2-CD2 3.86Å; L625-L751 HydrophobicContact CD2-CG 4.06Å
626	F	89.7	Confident	90.4	Very high	4 Å²	4	17 Å²	17	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-103.5	-18.3	-170.8	-62.6	-85.6	0	0	0	113.3	L582 K583 E586 S622 D746 W747	L582-F626 WeakPolarHBondContact O-CD2 3.23Å; K583-F626 HydrophobicContact CB-CE2 4.44Å; K583-F626 HydrophobicContact CG-CE2 4.42Å; K583-F626 WeakPolarHBondContact O-CE1 3.43Å; E586-F626 WeakPolarHBondContact CA-O 3.49Å; E586-F626 PolarHBondContact N-O 2.86Å; S622-F626 WeakPolarHBondContact O-CD2 3.46Å; S622-F626 PolarHBondContact O-N 2.77Å; F626-D746 HydrophobicContact CE1-CB 4.45Å; F626-W747 AromaticContact CE2-CE3 3.88Å; F626-W747 HydrophobicContact CE2-CE3 3.88Å; F626-W747 HydrophobicContact CZ-CB 4.2Å
627	G	87.4	Confident	90.2	Very high	10 Å²	10	25 Å²	25	10%	0.103	14%	0.142	C	C	.	.			trans	-73.6	151.4	176.4	0	0	0	0	0	113.6	L623	L623-G627 WeakPolarHBondContact O-CA 3.33Å; L623-G627 PolarHBondContact O-N 3.44Å
628	G	85.9	Confident	90	Very high	5 Å²	5	27.2 Å²	27.2	5%	0.052	15%	0.152	C	C	.	.			trans	-87	-172	179.1	0	0	0	0	0	114.3	E586 G630 S631 H632	E586-G628 WeakPolarHBondContact OE1-CA 3.41Å; G628-G630 PolarHBondContact O-N 3.01Å; G628-S631 PolarHBondContact O-N 3.28Å; G628-H632 WeakPolarHBondContact O-CB 3.38Å; G628-H632 PolarHBondContact O-N 2.68Å; G628-H632 PolarHBondContact O-ND1 2.86Å
629	S	85.4	Confident	90	Very high	80 Å²	80	32.4 Å²	32.4	56%	0.559	18%	0.176	S	C	*	.	H	α-helix	trans	-59.6	-31.9	171.4	57.1	0	0	0	0	112.6	S633	S629-S633 VanDerWaalsContact O-CB 3.29Å; S629-S633 WeakPolarHBondContact O-CB 3.23Å; S629-S633 PolarHBondContact O-N 2.99Å; S629-S633 PolarHBondContact O-OG 2.83Å
630	G	85.7	Confident	90	Very high	37 Å²	37	32.4 Å²	32.4	38%	0.381	18%	0.176	S	C	.	.	H	α-helix	trans	-62.7	-58.3	172.4	0	0	0	0	0	112	G628 H632 S633 E634	G628-G630 PolarHBondContact O-N 3.01Å; G630-H632 VanDerWaalsContact C-N 3.32Å; G630-H632 PolarHBondContact O-N 3.46Å; G630-S633 PolarHBondContact O-N 2.92Å; G630-E634 PolarHBondContact O-N 3.41Å
631	S	90	Very high	89.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-50.8	-45.8	172.5	-73.3	0	0	0	0	113.3	D590 G628 E634 M635	D590-S631 WeakPolarHBondContact OD1-CB 3.38Å; D590-S631 PolarHBondContact OD1-N 3.45Å; D590-S631 PolarHBondContact OD1-OG 3.47Å; G628-S631 PolarHBondContact O-N 3.28Å; S631-E634 PolarHBondContact O-N 3Å; S631-M635 WeakPolarHBondContact O-CG 3.49Å; S631-M635 PolarHBondContact O-N 2.98Å
632	H	92.1	Very high	89.5	Confident	26 Å²	26	36.6 Å²	36.6	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-42.1	177	-73.7	158.9	0	0	0	113.6	A624 G628 G630 E634 M635 M636 L672	A624-H632 PolarHBondContact O-NE2 3.44Å; G628-H632 WeakPolarHBondContact O-CB 3.38Å; G628-H632 PolarHBondContact O-N 2.68Å; G628-H632 PolarHBondContact O-ND1 2.86Å; G630-H632 VanDerWaalsContact C-N 3.32Å; G630-H632 PolarHBondContact O-N 3.46Å; H632-E634 VanDerWaalsContact C-N 3.28Å; H632-E634 PolarHBondContact O-N 3.46Å; H632-M635 PolarHBondContact O-N 2.8Å; H632-M636 PolarHBondContact O-N 3.48Å; H632-M636 VanDerWaalsContact O-N 3.1Å; H632-L672 HydrophobicContact CB-CD1 4.1Å
633	S	88.4	Confident	89.5	Confident	66 Å²	66	39.8 Å²	39.8	46%	0.462	21%	0.207	S	C	.	.	H	α-helix	trans	-61.8	-39.5	175.5	-61.4	0	0	0	0	111.1	S629 G630 M636 R637	S629-S633 VanDerWaalsContact O-CB 3.29Å; S629-S633 WeakPolarHBondContact O-CB 3.23Å; S629-S633 PolarHBondContact O-N 2.99Å; S629-S633 PolarHBondContact O-OG 2.83Å; G630-S633 PolarHBondContact O-N 2.92Å; S633-M636 PolarHBondContact O-N 3.1Å; S633-R637 WeakPolarHBondContact O-CB 3.22Å; S633-R637 PolarHBondContact O-N 3.46Å
634	E	89.4	Confident	89.5	Confident	37 Å²	37	39.7 Å²	39.7	17%	0.173	21%	0.207	C	C	.	.	H	α-helix	trans	-73.6	-32.9	179.2	-168.7	60.6	-164.4	0	0	112.4	V593 L598 G630 S631 H632 R637 Q638	V593-E634 HydrophobicContact CG1-CB 3.78Å; V593-E634 HydrophobicContact CG1-CG 3.49Å; V593-E634 VanDerWaalsContact CG1-CG 3.49Å; L598-E634 HydrophobicContact CD2-CB 4.44Å; L598-E634 HydrophobicContact CD2-CG 4.02Å; G630-E634 PolarHBondContact O-N 3.41Å; S631-E634 PolarHBondContact O-N 3Å; H632-E634 VanDerWaalsContact C-N 3.28Å; H632-E634 PolarHBondContact O-N 3.46Å; E634-R637 PolarHBondContact O-N 2.58Å; E634-R637 IonicContact OE1-CZ 2.99Å; E634-R637 IonicContact OE1-NE 3.86Å; E634-R637 PolarHBondContact OE1-NE 3.11Å; E634-R637 IonicContact OE1-NH2 2.58Å; E634-R637 PolarHBondContact OE1-NH2 2.78Å; E634-R637 IonicContact OE2-CZ 2.99Å; E634-R637 IonicContact OE2-NE 2.71Å; E634-R637 PolarHBondContact OE2-NE 3.25Å; E634-R637 IonicContact OE2-NH2 3.28Å; E634-R637 PolarHBondContact OE2-NH2 2.8Å; E634-Q638 PolarHBondContact O-N 2.7Å; E634-Q638 PolarHBondContact OE1-NE2 3.44Å
635	M	91.6	Very high	89.3	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-43.1	168.1	-74.4	-179.2	76.5	0	0	112.1	L598 L620 L623 S631 H632 H639 A640 T662 L666	L598-M635 HydrophobicContact CD1-CG 4.2Å; L598-M635 HydrophobicContact CD2-CG 4.05Å; L620-M635 HydrophobicContact CD2-CE 4.18Å; L623-M635 HydrophobicContact CB-SD 4.38Å; L623-M635 HydrophobicContact CD2-CG 3.8Å; L623-M635 HydrophobicContact CD2-SD 3.73Å; L623-M635 HydrophobicContact CG-CG 4.45Å; L623-M635 HydrophobicContact CG-SD 3.82Å; S631-M635 WeakPolarHBondContact O-CG 3.49Å; S631-M635 PolarHBondContact O-N 2.98Å; H632-M635 PolarHBondContact O-N 2.8Å; M635-H639 PolarHBondContact O-N 3.45Å; M635-A640 HydrophobicContact CB-CB 4.09Å; M635-A640 HydrophobicContact CE-CB 4.47Å; M635-A640 HydrophobicContact CG-CB 4.38Å; M635-A640 VanDerWaalsContact O-CB 3.24Å; M635-A640 WeakPolarHBondContact O-CB 3.24Å; M635-A640 PolarHBondContact O-N 3.44Å; M635-T662 HydrophobicContact CE-CG2 4.49Å; M635-L666 HydrophobicContact CE-CD1 3.89Å; M635-L666 HydrophobicContact CE-CD2 4.48Å; M635-L666 HydrophobicContact SD-CD2 4.45Å
636	M	88.5	Confident	89.2	Confident	75 Å²	75	46.1 Å²	46.1	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-46.1	172.2	-179.9	-178	-86.8	0	0	111.2	H632 S633 Q638 H639 L672 A675	H632-M636 PolarHBondContact O-N 3.48Å; H632-M636 VanDerWaalsContact O-N 3.1Å; S633-M636 PolarHBondContact O-N 3.1Å; M636-Q638 VanDerWaalsContact C-N 3.31Å; M636-Q638 PolarHBondContact O-N 3.04Å; M636-H639 PolarHBondContact O-N 2.93Å; M636-L672 HydrophobicContact CB-CD2 4.24Å; M636-L672 HydrophobicContact CE-CD2 3.65Å; M636-A675 HydrophobicContact CE-CB 3.86Å
637	R	89	Confident	89.4	Confident	170 Å²	170	46.2 Å²	46.2	64%	0.642	24%	0.242	S	C	*	.	H	α-helix	trans	-64.7	-29.4	-176.1	-161.1	-175.6	72.6	83.6	0.5	114	S633 E634	S633-R637 WeakPolarHBondContact O-CB 3.22Å; S633-R637 PolarHBondContact O-N 3.46Å; E634-R637 PolarHBondContact O-N 2.58Å; E634-R637 IonicContact OE1-CZ 2.99Å; E634-R637 IonicContact OE1-NE 3.86Å; E634-R637 PolarHBondContact OE1-NE 3.11Å; E634-R637 IonicContact OE1-NH2 2.58Å; E634-R637 PolarHBondContact OE1-NH2 2.78Å; E634-R637 IonicContact OE2-CZ 2.99Å; E634-R637 IonicContact OE2-NE 2.71Å; E634-R637 PolarHBondContact OE2-NE 3.25Å; E634-R637 IonicContact OE2-NH2 3.28Å; E634-R637 PolarHBondContact OE2-NH2 2.8Å
638	Q	90.3	Very high	89.5	Confident	45 Å²	45	46 Å²	46	21%	0.21	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	11.5	174.8	-60.1	-164.7	34.8	0	0	113.7	L598 I602 E634 M636 A640	L598-Q638 HydrophobicContact CD2-CB 4.35Å; L598-Q638 HydrophobicContact CD2-CG 4.37Å; I602-Q638 HydrophobicContact CD1-CB 3.42Å; I602-Q638 VanDerWaalsContact CD1-CB 3.42Å; I602-Q638 HydrophobicContact CD1-CG 4.47Å; E634-Q638 PolarHBondContact O-N 2.7Å; E634-Q638 PolarHBondContact OE1-NE2 3.44Å; M636-Q638 VanDerWaalsContact C-N 3.31Å; M636-Q638 PolarHBondContact O-N 3.04Å; Q638-A640 VanDerWaalsContact C-N 3.26Å; Q638-A640 PolarHBondContact O-N 3.16Å
639	H	90.1	Very high	89.7	Confident	110 Å²	110	52.3 Å²	52.3	51%	0.509	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	32.5	-178.8	-60.8	-78.5	0	0	0	114.2	M635 M636 I641 E642	M635-H639 PolarHBondContact O-N 3.45Å; M636-H639 PolarHBondContact O-N 2.93Å; H639-I641 PolarHBondContact O-N 3.16Å; H639-E642 WeakPolarHBondContact CA-OE2 3.44Å; H639-E642 IonicContact CE1-OE1 2.6Å; H639-E642 IonicContact CG-OE1 2.7Å; H639-E642 IonicContact ND1-OE1 2.6Å; H639-E642 PolarHBondContact ND1-OE1 3.05Å; H639-E642 IonicContact ND1-OE2 2.8Å; H639-E642 PolarHBondContact O-N 3.25Å
640	A	91.4	Very high	90	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-28.3	-177.9	0	0	0	0	0	112.6	L598 I602 M635 Q638 E642 W643 L644	L598-A640 HydrophobicContact CD1-CB 4.31Å; I602-A640 HydrophobicContact CD1-CB 3.95Å; I602-A640 HydrophobicContact CG1-CB 4.19Å; M635-A640 HydrophobicContact CB-CB 4.09Å; M635-A640 HydrophobicContact CE-CB 4.47Å; M635-A640 HydrophobicContact CG-CB 4.38Å; M635-A640 VanDerWaalsContact O-CB 3.24Å; M635-A640 WeakPolarHBondContact O-CB 3.24Å; M635-A640 PolarHBondContact O-N 3.44Å; Q638-A640 VanDerWaalsContact C-N 3.26Å; Q638-A640 PolarHBondContact O-N 3.16Å; A640-E642 VanDerWaalsContact C-N 3.34Å; A640-W643 PolarHBondContact O-N 3.07Å; A640-L644 PolarHBondContact O-N 3.29Å
641	I	89.4	Confident	90.1	Very high	1 Å²	1	58 Å²	58	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-38.6	-178.7	-57.2	178.3	0	0	0	110.1	H639 W643 L644 L666 L672 A675 V676	H639-I641 PolarHBondContact O-N 3.16Å; I641-W643 VanDerWaalsContact C-N 3.34Å; I641-W643 PolarHBondContact O-N 3.47Å; I641-L644 VanDerWaalsContact O-CB 3.31Å; I641-L644 WeakPolarHBondContact O-CB 2.99Å; I641-L644 PolarHBondContact O-N 3.06Å; I641-L644 VanDerWaalsContact O-N 3.16Å; I641-L666 HydrophobicContact CG1-CD1 4.28Å; I641-L672 HydrophobicContact CD1-CD2 4.36Å; I641-A675 HydrophobicContact CD1-CB 4.11Å; I641-V676 HydrophobicContact CD1-CG2 4.4Å; I641-V676 HydrophobicContact CG2-CG2 4.07Å
642	E	87.2	Confident	90.2	Very high	88 Å²	88	59.2 Å²	59.2	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-68.1	-32.3	177.2	-62	93.3	134.9	0	0	112.1	H639 A640 L644 F645	H639-E642 WeakPolarHBondContact CA-OE2 3.44Å; H639-E642 IonicContact CE1-OE1 2.6Å; H639-E642 IonicContact CG-OE1 2.7Å; H639-E642 IonicContact ND1-OE1 2.6Å; H639-E642 PolarHBondContact ND1-OE1 3.05Å; H639-E642 IonicContact ND1-OE2 2.8Å; H639-E642 PolarHBondContact O-N 3.25Å; A640-E642 VanDerWaalsContact C-N 3.34Å; E642-L644 VanDerWaalsContact C-N 3.29Å; E642-L644 PolarHBondContact O-N 3.44Å; E642-F645 PolarHBondContact O-N 3.18Å
643	W	90.8	Very high	90.2	Very high	66 Å²	66	60.4 Å²	60.4	25%	0.25	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-23.8	172.1	-70.9	98.1	0	0	0	113.1	I602 C605 R606 A640 I641 F645 C646 L647	I602-W643 HydrophobicContact CG2-CG 4.37Å; C605-W643 HydrophobicContact CB-CB 4.38Å; C605-W643 HydrophobicContact CB-CD2 4.44Å; C605-W643 HydrophobicContact CB-CE3 4.08Å; R606-W643 HydrophobicContact CG-CE3 4.39Å; R606-W643 HydrophobicContact CG-CH2 3.68Å; R606-W643 HydrophobicContact CG-CZ2 4.4Å; R606-W643 HydrophobicContact CG-CZ3 3.66Å; A640-W643 PolarHBondContact O-N 3.07Å; I641-W643 VanDerWaalsContact C-N 3.34Å; I641-W643 PolarHBondContact O-N 3.47Å; W643-F645 VanDerWaalsContact C-N 3.27Å; W643-F645 PolarHBondContact O-N 3.29Å; W643-C646 WeakPolarHBondContact O-CB 3.41Å; W643-C646 PolarHBondContact O-N 2.81Å; W643-L647 PolarHBondContact O-N 3.26Å
644	L	92.4	Very high	90.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-32.8	174.4	-60.7	175.4	0	0	0	112	L620 A640 I641 E642 C646 L647 A648 T662 S663 L666 T681	L620-L644 HydrophobicContact CB-CD2 4.49Å; L620-L644 HydrophobicContact CD1-CD2 4.1Å; A640-L644 PolarHBondContact O-N 3.29Å; I641-L644 VanDerWaalsContact O-CB 3.31Å; I641-L644 WeakPolarHBondContact O-CB 2.99Å; I641-L644 PolarHBondContact O-N 3.06Å; I641-L644 VanDerWaalsContact O-N 3.16Å; E642-L644 VanDerWaalsContact C-N 3.29Å; E642-L644 PolarHBondContact O-N 3.44Å; L644-C646 VanDerWaalsContact C-N 3.35Å; L644-C646 PolarHBondContact O-N 3.48Å; L644-L647 HydrophobicContact CD2-CD1 4.49Å; L644-L647 PolarHBondContact O-N 3.39Å; L644-A648 VanDerWaalsContact O-CB 3.24Å; L644-A648 WeakPolarHBondContact O-CB 3.46Å; L644-A648 PolarHBondContact O-N 3.46Å; L644-T662 HydrophobicContact CD1-CG2 3.7Å; L644-T662 HydrophobicContact CD2-CG2 3.94Å; L644-S663 WeakPolarHBondContact CD1-OG 3.27Å; L644-L666 HydrophobicContact CD1-CD1 3.96Å; L644-T681 HydrophobicContact CB-CG2 4.38Å
645	F	90.7	Very high	90.5	Very high	79 Å²	79	55.6 Å²	55.6	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-43.4	174.8	-176.4	-94.3	0	0	0	111.6	E642 W643 L647 A648 F649 S679 C680 T681 L684	E642-F645 PolarHBondContact O-N 3.18Å; W643-F645 VanDerWaalsContact C-N 3.27Å; W643-F645 PolarHBondContact O-N 3.29Å; F645-L647 VanDerWaalsContact C-N 3.33Å; F645-L647 PolarHBondContact O-N 2.88Å; F645-A648 PolarHBondContact O-N 3.28Å; F645-F649 PolarHBondContact O-N 2.81Å; F645-S679 WeakPolarHBondContact CD2-O 3.44Å; F645-C680 HydrophobicContact CE2-CB 4.47Å; F645-T681 PolarHBondContact N-OG1 3.32Å; F645-L684 HydrophobicContact CD2-CD1 4.14Å; F645-L684 HydrophobicContact CE2-CD1 3.97Å
646	C	88.8	Confident	90.6	Very high	69 Å²	69	58.3 Å²	58.3	47%	0.466	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-39.7	176.9	-63.3	0	0	0	0	112.2	W643 L644 H650	W643-C646 WeakPolarHBondContact O-CB 3.41Å; W643-C646 PolarHBondContact O-N 2.81Å; L644-C646 VanDerWaalsContact C-N 3.35Å; L644-C646 PolarHBondContact O-N 3.48Å; C646-H650 PolarHBondContact O-N 3.04Å
647	L	91.9	Very high	91	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-71.1	-39.4	175.1	-62.4	179.4	0	0	0	112	C605 L613 A617 L620 W643 L644 F645 F649 H650 I655 A659	C605-L647 HydrophobicContact CB-CD2 4.47Å; L613-L647 HydrophobicContact CD2-CD2 3.95Å; A617-L647 HydrophobicContact CB-CD1 4.41Å; L620-L647 HydrophobicContact CD1-CD1 4.12Å; W643-L647 PolarHBondContact O-N 3.26Å; L644-L647 HydrophobicContact CD2-CD1 4.49Å; L644-L647 PolarHBondContact O-N 3.39Å; F645-L647 VanDerWaalsContact C-N 3.33Å; F645-L647 PolarHBondContact O-N 2.88Å; L647-F649 PolarHBondContact O-N 3.34Å; L647-H650 WeakPolarHBondContact O-CB 3.25Å; L647-H650 PolarHBondContact O-N 3.19Å; L647-I655 HydrophobicContact CB-CG2 3.89Å; L647-I655 HydrophobicContact CD2-CG2 3.9Å; L647-I655 HydrophobicContact CG-CG2 4.42Å; L647-A659 HydrophobicContact CB-CB 3.52Å
648	A	91	Very high	91.2	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-19.2	178.2	0	0	0	0	0	113.8	L644 F645 R656 A659 T681 L684	L644-A648 VanDerWaalsContact O-CB 3.24Å; L644-A648 WeakPolarHBondContact O-CB 3.46Å; L644-A648 PolarHBondContact O-N 3.46Å; F645-A648 PolarHBondContact O-N 3.28Å; A648-R656 WeakPolarHBondContact O-CG 3.47Å; A648-A659 HydrophobicContact CB-CB 4.02Å; A648-T681 HydrophobicContact CB-CG2 3.54Å; A648-L684 HydrophobicContact CB-CD1 3.63Å
649	F	89.3	Confident	91.5	Very high	138 Å²	138	44.6 Å²	44.6	61%	0.605	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	2.9	172	-152	-97.1	0	0	0	113.8	F645 L647 L684	F645-F649 PolarHBondContact O-N 2.81Å; L647-F649 PolarHBondContact O-N 3.34Å; F649-L684 HydrophobicContact CD2-CD1 4.47Å; F649-L684 HydrophobicContact CD2-CD2 4.34Å
650	H	90.8	Very high	91.7	Very high	58 Å²	58	39.4 Å²	39.4	27%	0.269	19%	0.185	S	C	.	.	S	Bend	trans	-67.1	157	-177.8	-170	-110.9	0	0	0	112.8	C646 L647 D652 I655 R656	C646-H650 PolarHBondContact O-N 3.04Å; L647-H650 WeakPolarHBondContact O-CB 3.25Å; L647-H650 PolarHBondContact O-N 3.19Å; H650-D652 VanDerWaalsContact C-N 3.35Å; H650-D652 WeakPolarHBondContact ND1-CB 3.36Å; H650-D652 PolarHBondContact ND1-N 2.89Å; H650-D652 PolarHBondContact O-N 2.89Å; H650-I655 HydrophobicContact CB-CG2 3.95Å; H650-I655 WeakPolarHBondContact ND1-CD1 3.46Å; H650-R656 WeakPolarHBondContact O-CD 3.45Å; H650-R656 WeakPolarHBondContact O-CG 3.47Å; H650-R656 PolarHBondContact O-NE 3.02Å
651	Q	88.7	Confident	91.9	Very high	178 Å²	178	39.4 Å²	39.4	83%	0.832	19%	0.185	S	C	*	.	S	Bend	trans	-70.1	-31	-177.9	-67.5	-172.9	2.8	0	0	113.2	R656	Q651-R656 PolarHBondContact O-NH2 2.96Å
652	D	91.1	Very high	92.2	Very high	27 Å²	27	39.3 Å²	39.3	14%	0.144	18%	0.184	C	C	.	.	S	Bend	trans	-74.2	126.3	179.2	-176.6	-98.2	0	0	0	112.7	L610 R614 H650 V654 I655 R656	L610-D652 HydrophobicContact CD1-CB 3.62Å; R614-D652 IonicContact CZ-OD2 2.73Å; R614-D652 IonicContact NE-OD1 3.21Å; R614-D652 IonicContact NE-OD2 2.64Å; R614-D652 PolarHBondContact NE-OD2 3Å; R614-D652 IonicContact NH2-OD2 2.71Å; R614-D652 PolarHBondContact NH2-OD2 3.2Å; H650-D652 VanDerWaalsContact C-N 3.35Å; H650-D652 WeakPolarHBondContact ND1-CB 3.36Å; H650-D652 PolarHBondContact ND1-N 2.89Å; H650-D652 PolarHBondContact O-N 2.89Å; D652-V654 VanDerWaalsContact C-N 3.3Å; D652-V654 PolarHBondContact O-N 2.8Å; D652-V654 WeakPolarHBondContact OD1-CA 3.31Å; D652-V654 WeakPolarHBondContact OD1-CB 3.14Å; D652-V654 PolarHBondContact OD1-N 2.72Å; D652-V654 VanDerWaalsContact OD1-N 3.09Å; D652-I655 HydrophobicContact CB-CB 4.27Å; D652-I655 HydrophobicContact CB-CD1 3.91Å; D652-I655 HydrophobicContact CB-CG1 4.3Å; D652-I655 PolarHBondContact O-N 3.41Å; D652-I655 PolarHBondContact OD1-N 2.79Å; D652-R656 WeakPolarHBondContact O-CG 3.42Å; D652-R656 PolarHBondContact O-N 3.37Å; D652-R656 VanDerWaalsContact O-N 3.1Å
653	E	92.1	Very high	92.5	Very high	50 Å²	50	35.1 Å²	35.1	23%	0.234	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-28.9	-175.9	-67.4	171.6	-161.5	0	0	113.2	Y657 F688 H692 F697 Q701	E653-Y657 WeakPolarHBondContact O-CB 3.42Å; E653-Y657 PolarHBondContact O-N 3.21Å; E653-F688 HydrophobicContact CB-CE2 4.43Å; E653-H692 VanDerWaalsContact CD-NE2 3.3Å; E653-H692 WeakPolarHBondContact CG-NE2 3.46Å; E653-H692 IonicContact OE1-NE2 2.79Å; E653-H692 IonicContact OE2-CD2 3.2Å; E653-H692 PolarHBondContact OE2-CD2 3.48Å; E653-H692 VanDerWaalsContact OE2-CD2 3.26Å; E653-H692 IonicContact OE2-NE2 3.72Å; E653-H692 PolarHBondContact OE2-NE2 3.5Å; E653-F697 HydrophobicContact CB-CD2 4.46Å; E653-F697 HydrophobicContact CB-CE2 3.89Å; E653-Q701 VanDerWaalsContact CD-NE2 3.27Å; E653-Q701 PolarHBondContact OE1-NE2 3.39Å; E653-Q701 WeakPolarHBondContact OE2-CG 3.38Å; E653-Q701 PolarHBondContact OE2-NE2 3.44Å
654	V	92.2	Very high	92.7	Very high	3 Å²	3	32 Å²	32	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-78.2	-39.2	-178.3	177.6	0	0	0	0	111.2	D652 Y657 F658 F697 Q701 L702 A705 F706	D652-V654 VanDerWaalsContact C-N 3.3Å; D652-V654 PolarHBondContact O-N 2.8Å; D652-V654 WeakPolarHBondContact OD1-CA 3.31Å; D652-V654 WeakPolarHBondContact OD1-CB 3.14Å; D652-V654 PolarHBondContact OD1-N 2.72Å; D652-V654 VanDerWaalsContact OD1-N 3.09Å; V654-Y657 PolarHBondContact O-N 3.05Å; V654-F658 HydrophobicContact CG1-CD2 3.77Å; V654-F658 HydrophobicContact CG1-CE2 3.64Å; V654-F658 VanDerWaalsContact O-CD2 3.3Å; V654-F658 WeakPolarHBondContact O-CD2 3.39Å; V654-F658 PolarHBondContact O-N 3.49Å; V654-F658 VanDerWaalsContact O-N 3.08Å; V654-F697 HydrophobicContact CG2-CE2 4.14Å; V654-F697 HydrophobicContact CG2-CZ 4.13Å; V654-Q701 HydrophobicContact CG2-CB 4.18Å; V654-L702 HydrophobicContact CG1-CD2 3.86Å; V654-L702 HydrophobicContact CG2-CD2 4.35Å; V654-L702 HydrophobicContact CG2-CG 4.36Å; V654-A705 HydrophobicContact CB-CB 4.2Å; V654-A705 HydrophobicContact CG1-CB 4.26Å; V654-A705 HydrophobicContact CG2-CB 3.75Å; V654-F706 HydrophobicContact CG1-CE2 3.89Å; V654-F706 HydrophobicContact CG1-CZ 4.36Å
655	I	93.3	Very high	92.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-46.1	170.2	-67.9	163.9	0	0	0	110.6	L610 L613 R614 L647 H650 D652 Y657 F658 A659	L610-I655 HydrophobicContact CD1-CD1 3.57Å; L613-I655 HydrophobicContact CB-CD1 3.43Å; L613-I655 VanDerWaalsContact CB-CD1 3.43Å; L613-I655 HydrophobicContact CB-CG1 4.26Å; L613-I655 HydrophobicContact CD1-CD1 4.17Å; L613-I655 HydrophobicContact CG-CD1 4.47Å; R614-I655 HydrophobicContact CB-CG1 4.48Å; R614-I655 HydrophobicContact CG-CD1 3.97Å; R614-I655 HydrophobicContact CG-CG1 3.7Å; L647-I655 HydrophobicContact CB-CG2 3.89Å; L647-I655 HydrophobicContact CD2-CG2 3.9Å; L647-I655 HydrophobicContact CG-CG2 4.42Å; H650-I655 HydrophobicContact CB-CG2 3.95Å; H650-I655 WeakPolarHBondContact ND1-CD1 3.46Å; D652-I655 HydrophobicContact CB-CB 4.27Å; D652-I655 HydrophobicContact CB-CD1 3.91Å; D652-I655 HydrophobicContact CB-CG1 4.3Å; D652-I655 PolarHBondContact O-N 3.41Å; D652-I655 PolarHBondContact OD1-N 2.79Å; I655-Y657 VanDerWaalsContact C-N 3.32Å; I655-Y657 PolarHBondContact O-N 2.65Å; I655-F658 PolarHBondContact O-N 2.99Å; I655-A659 WeakPolarHBondContact O-CB 3.17Å; I655-A659 PolarHBondContact O-N 3.38Å
656	R	94.2	Very high	92.9	Very high	58 Å²	58	28.8 Å²	28.8	22%	0.219	14%	0.14	C	C	.	.	H	α-helix	trans	-55.6	-48.2	175.8	-73.3	-170.3	-102.3	138.2	-4.5	111.7	A648 H650 Q651 D652 A659 C660 F688	A648-R656 WeakPolarHBondContact O-CG 3.47Å; H650-R656 WeakPolarHBondContact O-CD 3.45Å; H650-R656 WeakPolarHBondContact O-CG 3.47Å; H650-R656 PolarHBondContact O-NE 3.02Å; Q651-R656 PolarHBondContact O-NH2 2.96Å; D652-R656 WeakPolarHBondContact O-CG 3.42Å; D652-R656 PolarHBondContact O-N 3.37Å; D652-R656 VanDerWaalsContact O-N 3.1Å; R656-A659 PolarHBondContact O-N 3.37Å; R656-C660 WeakPolarHBondContact O-CB 3.42Å; R656-C660 PolarHBondContact O-N 3.29Å; R656-C660 PolarHBondContact O-SG 3.36Å; R656-C660 VanDerWaalsContact O-SG 3.33Å; R656-F688 HydrophobicContact CB-CD2 4.34Å; R656-F688 HydrophobicContact CB-CE2 4.34Å
657	Y	95.3	Very high	93	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.9	-53.4	-179.2	175.1	-116.3	0	0	0	112.9	E653 V654 I655 A659 C660 L661 F688 F697 L702 L765 F768 H769	E653-Y657 WeakPolarHBondContact O-CB 3.42Å; E653-Y657 PolarHBondContact O-N 3.21Å; V654-Y657 PolarHBondContact O-N 3.05Å; I655-Y657 VanDerWaalsContact C-N 3.32Å; I655-Y657 PolarHBondContact O-N 2.65Å; Y657-A659 VanDerWaalsContact C-N 3.34Å; Y657-A659 PolarHBondContact O-N 3.27Å; Y657-C660 PolarHBondContact O-N 2.98Å; Y657-L661 VanDerWaalsContact O-CB 3.29Å; Y657-L661 WeakPolarHBondContact O-CB 3.41Å; Y657-L661 PolarHBondContact O-N 3.25Å; Y657-F688 AromaticContact CD2-CE1 3.74Å; Y657-F688 HydrophobicContact CD2-CE1 3.74Å; Y657-F688 AromaticContact CD2-CZ 3.98Å; Y657-F688 HydrophobicContact CD2-CZ 3.98Å; Y657-F688 HydrophobicContact CG-CE1 4.49Å; Y657-F688 HydrophobicContact CG-CZ 4.28Å; Y657-F697 AromaticContact CD1-CE1 3.56Å; Y657-F697 HydrophobicContact CD1-CE1 3.56Å; Y657-F697 AromaticContact CD1-CZ 3.7Å; Y657-F697 HydrophobicContact CD1-CZ 3.7Å; Y657-F697 AromaticContact CD2-CE1 3.87Å; Y657-F697 HydrophobicContact CD2-CE1 3.87Å; Y657-F697 HydrophobicContact CD2-CZ 4.14Å; Y657-F697 AromaticContact CE1-CE1 3.7Å; Y657-F697 HydrophobicContact CE1-CE1 3.7Å; Y657-F697 HydrophobicContact CE1-CZ 4.31Å; Y657-F697 HydrophobicContact CE2-CE1 4.02Å; Y657-F697 AromaticContact CG-CE1 3.6Å; Y657-F697 HydrophobicContact CG-CE1 3.6Å; Y657-F697 AromaticContact CG-CZ 3.55Å; Y657-F697 HydrophobicContact CG-CZ 3.55Å; Y657-F697 AromaticContact CZ-CE1 3.88Å; Y657-L702 HydrophobicContact CE1-CD1 4.11Å; Y657-L765 HydrophobicContact CD2-CD1 4.35Å; Y657-L765 HydrophobicContact CE2-CD1 4.29Å; Y657-F768 HydrophobicContact CD2-CE1 4.33Å; Y657-F768 AromaticContact CE2-CD1 3.86Å; Y657-F768 HydrophobicContact CE2-CD1 3.86Å; Y657-F768 AromaticContact CE2-CE1 3.81Å; Y657-F768 HydrophobicContact CE2-CE1 3.81Å; Y657-H769 AromaticContact CZ-ND1 3.69Å; Y657-H769 WeakPolarHBondContact OH-CA 3.34Å; Y657-H769 PolarHBondContact OH-ND1 2.97Å
658	F	95	Very high	92.9	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-33.1	-179.1	-76.3	-62.4	0	0	0	112.7	A617 V618 M621 V654 I655 L661 T662 L702 F706 Y740 W747	A617-F658 HydrophobicContact CB-CB 3.94Å; V618-F658 HydrophobicContact CG2-CD1 4.41Å; V618-F658 HydrophobicContact CG2-CD2 3.67Å; V618-F658 HydrophobicContact CG2-CE1 4.4Å; V618-F658 HydrophobicContact CG2-CE2 3.64Å; V618-F658 HydrophobicContact CG2-CG 4.08Å; V618-F658 HydrophobicContact CG2-CZ 4.03Å; M621-F658 HydrophobicContact CB-CD1 4.34Å; M621-F658 HydrophobicContact CG-CD1 4.1Å; V654-F658 HydrophobicContact CG1-CD2 3.77Å; V654-F658 HydrophobicContact CG1-CE2 3.64Å; V654-F658 VanDerWaalsContact O-CD2 3.3Å; V654-F658 WeakPolarHBondContact O-CD2 3.39Å; V654-F658 PolarHBondContact O-N 3.49Å; V654-F658 VanDerWaalsContact O-N 3.08Å; I655-F658 PolarHBondContact O-N 2.99Å; F658-L661 HydrophobicContact CD1-CD2 4.48Å; F658-L661 PolarHBondContact O-N 2.92Å; F658-T662 WeakPolarHBondContact O-CB 3.41Å; F658-T662 PolarHBondContact O-N 3.17Å; F658-T662 PolarHBondContact O-OG1 2.86Å; F658-L702 HydrophobicContact CE2-CD2 3.82Å; F658-L702 HydrophobicContact CZ-CD2 3.99Å; F658-F706 HydrophobicContact CE2-CE2 4.24Å; F658-F706 HydrophobicContact CE2-CZ 4.3Å; F658-Y740 AromaticContact CZ-CE2 3.85Å; F658-Y740 HydrophobicContact CZ-CE2 3.85Å; F658-Y740 AromaticContact CZ-CZ 3.91Å; F658-W747 HydrophobicContact CE1-CH2 4.48Å; F658-W747 HydrophobicContact CE1-CZ2 4.26Å
659	A	95.5	Very high	92.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-50.6	173.5	0	0	0	0	0	112.1	L647 A648 I655 R656 Y657 L661 T662 S663	L647-A659 HydrophobicContact CB-CB 3.52Å; A648-A659 HydrophobicContact CB-CB 4.02Å; I655-A659 WeakPolarHBondContact O-CB 3.17Å; I655-A659 PolarHBondContact O-N 3.38Å; R656-A659 PolarHBondContact O-N 3.37Å; Y657-A659 VanDerWaalsContact C-N 3.34Å; Y657-A659 PolarHBondContact O-N 3.27Å; A659-L661 VanDerWaalsContact C-N 3.3Å; A659-L661 PolarHBondContact O-N 3.31Å; A659-T662 WeakPolarHBondContact O-CB 3.25Å; A659-T662 PolarHBondContact O-N 2.85Å; A659-S663 PolarHBondContact O-N 2.77Å; A659-S663 PolarHBondContact O-OG 3.14Å
660	C	95.5	Very high	92.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-41.9	174.3	-74	0	0	0	0	112.3	R656 Y657 S663 A664 V685 L765	R656-C660 WeakPolarHBondContact O-CB 3.42Å; R656-C660 PolarHBondContact O-N 3.29Å; R656-C660 PolarHBondContact O-SG 3.36Å; R656-C660 VanDerWaalsContact O-SG 3.33Å; Y657-C660 PolarHBondContact O-N 2.98Å; C660-S663 PolarHBondContact O-N 3.13Å; C660-A664 WeakPolarHBondContact O-CB 3.24Å; C660-A664 PolarHBondContact O-N 3.25Å; C660-V685 HydrophobicContact CB-CG2 4.08Å; C660-L765 VanDerWaalsContact C-CD2 3.48Å; C660-L765 HydrophobicContact CB-CD2 3.77Å
661	L	95	Very high	92.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.1	-35.3	179.5	-165.4	70.4	0	0	0	111.7	M621 Y657 F658 A659 A664 V665 L765 V766 H769	M621-L661 HydrophobicContact CE-CB 4.34Å; M621-L661 HydrophobicContact CE-CD2 3.52Å; M621-L661 HydrophobicContact CE-CG 3.53Å; M621-L661 HydrophobicContact SD-CB 3.81Å; M621-L661 HydrophobicContact SD-CD2 3.84Å; M621-L661 HydrophobicContact SD-CG 3.68Å; Y657-L661 VanDerWaalsContact O-CB 3.29Å; Y657-L661 WeakPolarHBondContact O-CB 3.41Å; Y657-L661 PolarHBondContact O-N 3.25Å; F658-L661 HydrophobicContact CD1-CD2 4.48Å; F658-L661 PolarHBondContact O-N 2.92Å; A659-L661 VanDerWaalsContact C-N 3.3Å; A659-L661 PolarHBondContact O-N 3.31Å; L661-A664 WeakPolarHBondContact O-CB 3.42Å; L661-A664 PolarHBondContact O-N 2.9Å; L661-V665 WeakPolarHBondContact O-CG2 3.42Å; L661-V665 PolarHBondContact O-N 2.95Å; L661-L765 HydrophobicContact CB-CD2 4.19Å; L661-L765 HydrophobicContact CD1-CD2 4.07Å; L661-L765 HydrophobicContact CD1-CG 3.91Å; L661-V766 HydrophobicContact CD1-CG2 4.01Å; L661-H769 HydrophobicContact CD1-CB 4.19Å
662	T	95.5	Very high	92.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-49.2	173.2	-54.1	0	0	0	0	110.2	L620 M621 A624 M635 L644 F658 A659 A664 V665 L666	L620-T662 HydrophobicContact CB-CG2 4.46Å; M621-T662 VanDerWaalsContact CA-OG1 3.28Å; M621-T662 WeakPolarHBondContact CA-OG1 3.48Å; M621-T662 WeakPolarHBondContact CB-OG1 3.32Å; M621-T662 PolarHBondContact N-OG1 3.24Å; M621-T662 PolarHBondContact SD-N 2.74Å; M621-T662 VanDerWaalsContact SD-N 3.39Å; A624-T662 HydrophobicContact CB-CG2 3.85Å; M635-T662 HydrophobicContact CE-CG2 4.49Å; L644-T662 HydrophobicContact CD1-CG2 3.7Å; L644-T662 HydrophobicContact CD2-CG2 3.94Å; F658-T662 WeakPolarHBondContact O-CB 3.41Å; F658-T662 PolarHBondContact O-N 3.17Å; F658-T662 PolarHBondContact O-OG1 2.86Å; A659-T662 WeakPolarHBondContact O-CB 3.25Å; A659-T662 PolarHBondContact O-N 2.85Å; T662-A664 VanDerWaalsContact C-N 3.3Å; T662-A664 PolarHBondContact O-N 3.46Å; T662-V665 PolarHBondContact O-N 2.93Å; T662-L666 HydrophobicContact CG2-CD1 4Å; T662-L666 HydrophobicContact CG2-CG 4.4Å; T662-L666 WeakPolarHBondContact O-CG 3.47Å; T662-L666 PolarHBondContact O-N 3.05Å
663	S	94.4	Very high	92.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-39.4	174.7	-62.2	0	0	0	0	112.3	L644 A659 C660 V665 L666 S667 V676 T681	L644-S663 WeakPolarHBondContact CD1-OG 3.27Å; A659-S663 PolarHBondContact O-N 2.77Å; A659-S663 PolarHBondContact O-OG 3.14Å; C660-S663 PolarHBondContact O-N 3.13Å; S663-V665 PolarHBondContact O-N 3.23Å; S663-L666 PolarHBondContact O-N 3.39Å; S663-S667 WeakPolarHBondContact O-CB 3.5Å; S663-S667 PolarHBondContact O-N 3.17Å; S663-V676 WeakPolarHBondContact O-CG1 3.4Å; S663-T681 WeakPolarHBondContact OG-CB 3.49Å; S663-T681 VanDerWaalsContact OG-CG2 3.25Å; S663-T681 WeakPolarHBondContact OG-CG2 3.33Å
664	A	94.4	Very high	92	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-43.2	176.1	0	0	0	0	0	112.3	C660 L661 T662 S667 V754 P762 L765	C660-A664 WeakPolarHBondContact O-CB 3.24Å; C660-A664 PolarHBondContact O-N 3.25Å; L661-A664 WeakPolarHBondContact O-CB 3.42Å; L661-A664 PolarHBondContact O-N 2.9Å; T662-A664 VanDerWaalsContact C-N 3.3Å; T662-A664 PolarHBondContact O-N 3.46Å; A664-S667 PolarHBondContact O-OG 3.47Å; A664-V754 HydrophobicContact CB-CG1 4.38Å; A664-P762 HydrophobicContact CB-CB 3.84Å; A664-P762 HydrophobicContact CB-CG 4.4Å; A664-L765 HydrophobicContact CB-CD2 4.1Å
665	V	93.7	Very high	91.8	Very high	10 Å²	10	26.4 Å²	26.4	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-53.3	173.6	173.3	0	0	0	0	111.2	M621 A624 L625 L661 T662 S663 S667 T668 L751 V754	M621-V665 HydrophobicContact CE-CG2 3.65Å; M621-V665 HydrophobicContact SD-CG2 4.47Å; A624-V665 HydrophobicContact CB-CB 4.37Å; A624-V665 HydrophobicContact CB-CG1 4.04Å; A624-V665 VanDerWaalsContact O-CG1 3.24Å; A624-V665 WeakPolarHBondContact O-CG1 3.3Å; L625-V665 HydrophobicContact CD2-CG1 4.13Å; L625-V665 HydrophobicContact CD2-CG2 3.79Å; L625-V665 HydrophobicContact CG-CG2 4.46Å; L661-V665 WeakPolarHBondContact O-CG2 3.42Å; L661-V665 PolarHBondContact O-N 2.95Å; T662-V665 PolarHBondContact O-N 2.93Å; S663-V665 PolarHBondContact O-N 3.23Å; V665-S667 PolarHBondContact O-N 2.78Å; V665-S667 VanDerWaalsContact O-N 3.17Å; V665-T668 WeakPolarHBondContact O-CB 3.26Å; V665-T668 PolarHBondContact O-N 3.3Å; V665-T668 PolarHBondContact O-OG1 2.93Å; V665-L751 HydrophobicContact CG2-CD2 3.59Å; V665-V754 HydrophobicContact CG2-CG2 4.17Å
666	L	93.2	Very high	91.7	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-28.5	-177.2	-63.5	174.9	0	0	0	112.4	A624 M635 I641 L644 T662 S663 T668 N669 L672 V676	A624-L666 HydrophobicContact CB-CD2 3.65Å; A624-L666 HydrophobicContact CB-CG 3.96Å; M635-L666 HydrophobicContact CE-CD1 3.89Å; M635-L666 HydrophobicContact CE-CD2 4.48Å; M635-L666 HydrophobicContact SD-CD2 4.45Å; I641-L666 HydrophobicContact CG1-CD1 4.28Å; L644-L666 HydrophobicContact CD1-CD1 3.96Å; T662-L666 HydrophobicContact CG2-CD1 4Å; T662-L666 HydrophobicContact CG2-CG 4.4Å; T662-L666 WeakPolarHBondContact O-CG 3.47Å; T662-L666 PolarHBondContact O-N 3.05Å; S663-L666 PolarHBondContact O-N 3.39Å; L666-T668 PolarHBondContact O-N 3.05Å; L666-T668 VanDerWaalsContact O-N 3.15Å; L666-N669 PolarHBondContact O-N 3.24Å; L666-L672 HydrophobicContact CB-CD1 4Å; L666-L672 HydrophobicContact CD2-CD1 3.61Å; L666-L672 HydrophobicContact CG-CD1 4.29Å; L666-V676 HydrophobicContact CB-CG2 3.76Å
667	S	91.8	Very high	91.4	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.042	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25	175.3	80.8	0	0	0	0	113.9	S663 A664 V665 T673 P762	S663-S667 WeakPolarHBondContact O-CB 3.5Å; S663-S667 PolarHBondContact O-N 3.17Å; A664-S667 PolarHBondContact O-OG 3.47Å; V665-S667 PolarHBondContact O-N 2.78Å; V665-S667 VanDerWaalsContact O-N 3.17Å; S667-T673 PolarHBondContact O-OG1 3.39Å; S667-P762 WeakPolarHBondContact OG-CG 3.2Å
668	T	89.2	Confident	91.1	Very high	54 Å²	54	31.3 Å²	31.3	33%	0.331	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.9	-179.5	67.2	0	0	0	0	113.9	V665 L666 P670 V754	V665-T668 WeakPolarHBondContact O-CB 3.26Å; V665-T668 PolarHBondContact O-N 3.3Å; V665-T668 PolarHBondContact O-OG1 2.93Å; L666-T668 PolarHBondContact O-N 3.05Å; L666-T668 VanDerWaalsContact O-N 3.15Å; T668-P670 WeakPolarHBondContact O-CD 3.43Å; T668-V754 HydrophobicContact CG2-CB 4.12Å; T668-V754 HydrophobicContact CG2-CG1 4.2Å; T668-V754 HydrophobicContact CG2-CG2 3.82Å
669	N	88	Confident	90.7	Very high	30 Å²	30	32 Å²	32	16%	0.16	21%	0.205	C	C	.	.	S	Bend	trans	-78.3	116.5	173.5	-179.5	-12.8	0	0	0	109.1	L666 E671 L672 T673	L666-N669 PolarHBondContact O-N 3.24Å; N669-E671 PolarHBondContact O-N 3.25Å; N669-E671 VanDerWaalsContact O-N 3.08Å; N669-E671 PolarHBondContact OD1-N 2.95Å; N669-E671 VanDerWaalsContact OD1-N 3.08Å; N669-L672 HydrophobicContact CB-CB 4.23Å; N669-L672 HydrophobicContact CB-CD1 4.14Å; N669-L672 HydrophobicContact CB-CG 4.01Å; N669-L672 PolarHBondContact O-N 3.15Å; N669-T673 PolarHBondContact O-N 2.91Å; N669-T673 PolarHBondContact O-OG1 2.9Å
670	P	85.9	Confident	90.4	Very high	112 Å²	112	34.9 Å²	34.9	73%	0.727	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.8	-177.3	-26.1	35.8	0	0	0	114.9	T668 T673	T668-P670 WeakPolarHBondContact O-CD 3.43Å; P670-T673 WeakPolarHBondContact CA-OG1 3.5Å
671	E	86.7	Confident	90.2	Very high	135 Å²	135	34.8 Å²	34.8	63%	0.631	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.2	179.4	-59.7	176.9	162.6	0	0	111.5	N669	N669-E671 PolarHBondContact O-N 3.25Å; N669-E671 VanDerWaalsContact O-N 3.08Å; N669-E671 PolarHBondContact OD1-N 2.95Å; N669-E671 VanDerWaalsContact OD1-N 3.08Å
672	L	88.9	Confident	90	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-23.5	179.8	-54.6	-174.3	0	0	0	113.1	H632 M636 I641 L666 N669 A674 A675 V676	H632-L672 HydrophobicContact CB-CD1 4.1Å; M636-L672 HydrophobicContact CB-CD2 4.24Å; M636-L672 HydrophobicContact CE-CD2 3.65Å; I641-L672 HydrophobicContact CD1-CD2 4.36Å; L666-L672 HydrophobicContact CB-CD1 4Å; L666-L672 HydrophobicContact CD2-CD1 3.61Å; L666-L672 HydrophobicContact CG-CD1 4.29Å; N669-L672 HydrophobicContact CB-CB 4.23Å; N669-L672 HydrophobicContact CB-CD1 4.14Å; N669-L672 HydrophobicContact CB-CG 4.01Å; N669-L672 PolarHBondContact O-N 3.15Å; L672-A674 PolarHBondContact O-N 2.87Å; L672-A675 PolarHBondContact O-N 3.31Å; L672-V676 HydrophobicContact CB-CG2 4.33Å; L672-V676 PolarHBondContact O-N 3.36Å
673	T	88.6	Confident	89.8	Confident	36 Å²	36	39.5 Å²	39.5	22%	0.221	25%	0.248	C	C	.	.	H	α-helix	trans	-49.5	-40.9	-173.9	-50.2	0	0	0	0	112.5	S667 N669 P670 N677	S667-T673 PolarHBondContact O-OG1 3.39Å; N669-T673 PolarHBondContact O-N 2.91Å; N669-T673 PolarHBondContact O-OG1 2.9Å; P670-T673 WeakPolarHBondContact CA-OG1 3.5Å; T673-N677 VanDerWaalsContact O-CB 3.31Å; T673-N677 WeakPolarHBondContact O-CB 3.22Å; T673-N677 PolarHBondContact O-N 2.95Å; T673-N677 PolarHBondContact O-OD1 2.77Å
674	A	85.9	Confident	89.7	Confident	75 Å²	75	41.3 Å²	41.3	62%	0.62	26%	0.258	S	S	*	.	H	α-helix	trans	-65.6	-41.9	178.8	0	0	0	0	0	113	L672 A678	L672-A674 PolarHBondContact O-N 2.87Å; A674-A678 WeakPolarHBondContact O-CB 3.44Å; A674-A678 PolarHBondContact O-N 2.73Å
675	A	88.1	Confident	89.6	Confident	30 Å²	30	41.3 Å²	41.3	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-72.7	-40.1	178.6	0	0	0	0	0	112.1	M636 I641 L672 N677 A678 S679	M636-A675 HydrophobicContact CE-CB 3.86Å; I641-A675 HydrophobicContact CD1-CB 4.11Å; L672-A675 PolarHBondContact O-N 3.31Å; A675-N677 VanDerWaalsContact C-N 3.35Å; A675-N677 PolarHBondContact O-N 3.36Å; A675-A678 PolarHBondContact O-N 3.18Å; A675-S679 PolarHBondContact O-N 3.38Å
676	V	91.3	Very high	89.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-44.7	174.6	176.3	0	0	0	0	110.5	I641 S663 L666 L672 S679 L682	I641-V676 HydrophobicContact CD1-CG2 4.4Å; I641-V676 HydrophobicContact CG2-CG2 4.07Å; S663-V676 WeakPolarHBondContact O-CG1 3.4Å; L666-V676 HydrophobicContact CB-CG2 3.76Å; L672-V676 HydrophobicContact CB-CG2 4.33Å; L672-V676 PolarHBondContact O-N 3.36Å; V676-S679 PolarHBondContact O-N 2.86Å; V676-S679 PolarHBondContact O-OG 3.42Å; V676-L682 HydrophobicContact CG1-CD1 3.84Å; V676-L682 HydrophobicContact CG1-CD2 4.42Å; V676-L682 HydrophobicContact CG1-CG 4Å
677	N	88	Confident	89.4	Confident	79 Å²	79	45.2 Å²	45.2	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-41.9	175.2	-70.7	9.9	0	0	0	111.9	T673 A675 S679 C680 Q759	T673-N677 VanDerWaalsContact O-CB 3.31Å; T673-N677 WeakPolarHBondContact O-CB 3.22Å; T673-N677 PolarHBondContact O-N 2.95Å; T673-N677 PolarHBondContact O-OD1 2.77Å; A675-N677 VanDerWaalsContact C-N 3.35Å; A675-N677 PolarHBondContact O-N 3.36Å; N677-S679 PolarHBondContact O-N 3.46Å; N677-C680 PolarHBondContact O-N 3.39Å; N677-C680 VanDerWaalsContact O-N 3.12Å; N677-Q759 PolarHBondContact ND2-NE2 2.95Å; N677-Q759 PolarHBondContact OD1-NE2 3.15Å
678	A	88.2	Confident	89.5	Confident	82 Å²	82	45.3 Å²	45.3	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-65.2	-23.5	177.3	0	0	0	0	0	113.8	A674 A675 C680	A674-A678 WeakPolarHBondContact O-CB 3.44Å; A674-A678 PolarHBondContact O-N 2.73Å; A675-A678 PolarHBondContact O-N 3.18Å; A678-C680 PolarHBondContact O-N 2.95Å
679	S	87.8	Confident	89.7	Confident	16 Å²	16	42.9 Å²	42.9	11%	0.112	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.8	173.9	79.5	0	0	0	0	114	F645 A675 V676 N677 T681	F645-S679 WeakPolarHBondContact CD2-O 3.44Å; A675-S679 PolarHBondContact O-N 3.38Å; V676-S679 PolarHBondContact O-N 2.86Å; V676-S679 PolarHBondContact O-OG 3.42Å; N677-S679 PolarHBondContact O-N 3.46Å; S679-T681 PolarHBondContact O-N 3.49Å; S679-T681 WeakPolarHBondContact OG-CB 3.49Å; S679-T681 PolarHBondContact OG-N 2.94Å; S679-T681 PolarHBondContact OG-OG1 2.68Å
680	C	88.2	Confident	89.8	Confident	59 Å²	59	49.8 Å²	49.8	40%	0.399	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	9.4	-171.9	-53.5	0	0	0	0	115.5	F645 N677 A678 L682 D683	F645-C680 HydrophobicContact CE2-CB 4.47Å; N677-C680 PolarHBondContact O-N 3.39Å; N677-C680 VanDerWaalsContact O-N 3.12Å; A678-C680 PolarHBondContact O-N 2.95Å; C680-L682 PolarHBondContact O-N 2.99Å; C680-L682 VanDerWaalsContact O-N 3.17Å; C680-D683 WeakPolarHBondContact O-CB 3.46Å; C680-D683 PolarHBondContact O-N 2.91Å; C680-D683 VanDerWaalsContact O-N 3.08Å
681	T	91.6	Very high	90.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.4	-29.3	-176.7	-50.1	0	0	0	0	112.4	L644 F645 A648 S663 S679 D683 L684	L644-T681 HydrophobicContact CB-CG2 4.38Å; F645-T681 PolarHBondContact N-OG1 3.32Å; A648-T681 HydrophobicContact CB-CG2 3.54Å; S663-T681 WeakPolarHBondContact OG-CB 3.49Å; S663-T681 VanDerWaalsContact OG-CG2 3.25Å; S663-T681 WeakPolarHBondContact OG-CG2 3.33Å; S679-T681 PolarHBondContact O-N 3.49Å; S679-T681 WeakPolarHBondContact OG-CB 3.49Å; S679-T681 PolarHBondContact OG-N 2.94Å; S679-T681 PolarHBondContact OG-OG1 2.68Å; T681-D683 VanDerWaalsContact C-N 3.32Å; T681-D683 PolarHBondContact O-N 3.09Å; T681-L684 WeakPolarHBondContact O-CB 3.42Å; T681-L684 PolarHBondContact O-N 3.35Å
682	L	91.6	Very high	90.4	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-70.2	-24.6	178.3	-62.2	179.6	0	0	0	113.6	V676 C680 L684 V685 P762	V676-L682 HydrophobicContact CG1-CD1 3.84Å; V676-L682 HydrophobicContact CG1-CD2 4.42Å; V676-L682 HydrophobicContact CG1-CG 4Å; C680-L682 PolarHBondContact O-N 2.99Å; C680-L682 VanDerWaalsContact O-N 3.17Å; L682-L684 PolarHBondContact O-N 2.97Å; L682-V685 HydrophobicContact CD2-CG2 4.31Å; L682-V685 VanDerWaalsContact O-CB 3.23Å; L682-V685 WeakPolarHBondContact O-CB 3.27Å; L682-V685 VanDerWaalsContact O-CG2 3.29Å; L682-V685 WeakPolarHBondContact O-CG2 3.39Å; L682-V685 PolarHBondContact O-N 3.45Å; L682-V685 VanDerWaalsContact O-N 3.13Å; L682-P762 HydrophobicContact CD1-CG 4.27Å; L682-P762 HydrophobicContact CD2-CG 4.27Å
683	D	89.7	Confident	90.5	Very high	87 Å²	87	44.7 Å²	44.7	47%	0.465	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24	176.6	-64.8	-35.3	0	0	0	112	C680 T681 V685 P687	C680-D683 WeakPolarHBondContact O-CB 3.46Å; C680-D683 PolarHBondContact O-N 2.91Å; C680-D683 VanDerWaalsContact O-N 3.08Å; T681-D683 VanDerWaalsContact C-N 3.32Å; T681-D683 PolarHBondContact O-N 3.09Å; D683-V685 VanDerWaalsContact C-N 3.32Å; D683-P687 WeakPolarHBondContact O-CD 3.4Å
684	L	92.2	Very high	90.8	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.199	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-78.1	-15.4	178.7	-55.8	177.1	0	0	0	113	F645 A648 F649 T681 L682 P687 F688	F645-L684 HydrophobicContact CD2-CD1 4.14Å; F645-L684 HydrophobicContact CE2-CD1 3.97Å; A648-L684 HydrophobicContact CB-CD1 3.63Å; F649-L684 HydrophobicContact CD2-CD1 4.47Å; F649-L684 HydrophobicContact CD2-CD2 4.34Å; T681-L684 WeakPolarHBondContact O-CB 3.42Å; T681-L684 PolarHBondContact O-N 3.35Å; L682-L684 PolarHBondContact O-N 2.97Å; L684-P687 WeakPolarHBondContact O-CD 3.36Å; L684-F688 PolarHBondContact O-N 2.83Å
685	V	93	Very high	91.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-47.9	-179.4	175.3	0	0	0	0	111.8	C660 L682 D683 F688 V689 E761 L765	C660-V685 HydrophobicContact CB-CG2 4.08Å; L682-V685 HydrophobicContact CD2-CG2 4.31Å; L682-V685 VanDerWaalsContact O-CB 3.23Å; L682-V685 WeakPolarHBondContact O-CB 3.27Å; L682-V685 VanDerWaalsContact O-CG2 3.29Å; L682-V685 WeakPolarHBondContact O-CG2 3.39Å; L682-V685 PolarHBondContact O-N 3.45Å; L682-V685 VanDerWaalsContact O-N 3.13Å; D683-V685 VanDerWaalsContact C-N 3.32Å; V685-F688 WeakPolarHBondContact O-CB 3.3Å; V685-F688 PolarHBondContact O-N 3.2Å; V685-V689 HydrophobicContact CG1-CG2 4.16Å; V685-V689 WeakPolarHBondContact O-CG2 3.4Å; V685-V689 PolarHBondContact O-N 3.45Å; V685-E761 HydrophobicContact CB-CB 4.28Å; V685-E761 HydrophobicContact CG1-CB 4.34Å; V685-E761 WeakPolarHBondContact CG1-O 3.49Å; V685-L765 HydrophobicContact CG1-CB 3.73Å; V685-L765 HydrophobicContact CG1-CD1 4.38Å; V685-L765 HydrophobicContact CG1-CD2 4.17Å; V685-L765 HydrophobicContact CG1-CG 4.31Å; V685-L765 HydrophobicContact CG2-CD2 4.16Å
686	M	92.3	Very high	91.2	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-69	-38.8	-175.7	-62.2	-55.2	-59.5	0	0	113.4	R690 F760 E761 V764 L805	M686-R690 VanDerWaalsContact O-CB 3.26Å; M686-R690 WeakPolarHBondContact O-CB 3.29Å; M686-R690 WeakPolarHBondContact O-CD 3.32Å; M686-R690 WeakPolarHBondContact O-CG 3.45Å; M686-R690 PolarHBondContact O-N 3.15Å; M686-R690 VanDerWaalsContact O-N 3.14Å; M686-F760 HydrophobicContact CE-CE1 3.67Å; M686-F760 HydrophobicContact CE-CZ 4.21Å; M686-F760 HydrophobicContact SD-CD1 4.39Å; M686-F760 HydrophobicContact SD-CE1 4.05Å; M686-E761 HydrophobicContact CG-CB 4.45Å; M686-E761 HydrophobicContact CG-CG 3.71Å; M686-E761 HydrophobicContact SD-CB 4.48Å; M686-E761 HydrophobicContact SD-CG 4.17Å; M686-V764 HydrophobicContact CE-CG1 4.21Å; M686-V764 HydrophobicContact SD-CB 4.21Å; M686-V764 HydrophobicContact SD-CG1 3.96Å; M686-V764 HydrophobicContact SD-CG2 4.38Å; M686-L805 HydrophobicContact CE-CD1 3.56Å
687	P	91.2	Very high	91.3	Very high	79 Å²	79	45.4 Å²	45.4	51%	0.513	25%	0.254	S	S	.	.	H	α-helix	trans	-56	-45	165.2	-28.1	35.7	0	0	0	113.4	D683 L684 S691	D683-P687 WeakPolarHBondContact O-CD 3.4Å; L684-P687 WeakPolarHBondContact O-CD 3.36Å; P687-S691 WeakPolarHBondContact O-CB 3.41Å; P687-S691 PolarHBondContact O-N 3.47Å; P687-S691 PolarHBondContact O-OG 3.35Å
688	F	93.5	Very high	91.3	Very high	9 Å²	9	41.7 Å²	41.7	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-57.6	178.7	-176.8	-86.3	0	0	0	111.5	E653 R656 Y657 L684 V685 R690 S691 H692 F697 F768	E653-F688 HydrophobicContact CB-CE2 4.43Å; R656-F688 HydrophobicContact CB-CD2 4.34Å; R656-F688 HydrophobicContact CB-CE2 4.34Å; Y657-F688 AromaticContact CD2-CE1 3.74Å; Y657-F688 HydrophobicContact CD2-CE1 3.74Å; Y657-F688 AromaticContact CD2-CZ 3.98Å; Y657-F688 HydrophobicContact CD2-CZ 3.98Å; Y657-F688 HydrophobicContact CG-CE1 4.49Å; Y657-F688 HydrophobicContact CG-CZ 4.28Å; L684-F688 PolarHBondContact O-N 2.83Å; V685-F688 WeakPolarHBondContact O-CB 3.3Å; V685-F688 PolarHBondContact O-N 3.2Å; F688-R690 PolarHBondContact O-N 3.36Å; F688-S691 PolarHBondContact O-N 3.04Å; F688-S691 PolarHBondContact O-OG 3.22Å; F688-H692 AromaticContact CD2-CE1 3.46Å; F688-H692 VanDerWaalsContact CD2-CE1 3.46Å; F688-H692 WeakPolarHBondContact CD2-CE1 3.3Å; F688-H692 AromaticContact CD2-ND1 3.82Å; F688-H692 AromaticContact CE2-CE1 3.56Å; F688-H692 AromaticContact CE2-ND1 3.9Å; F688-H692 AromaticContact CE2-NE2 3.66Å; F688-H692 AromaticContact CG-ND1 3.94Å; F688-H692 PolarHBondContact O-N 3.45Å; F688-H692 PolarHBondContact O-ND1 2.92Å; F688-F697 HydrophobicContact CZ-CD2 4.23Å; F688-F697 AromaticContact CZ-CE2 3.9Å; F688-F697 HydrophobicContact CZ-CE2 3.9Å; F688-F697 HydrophobicContact CZ-CZ 4.06Å; F688-F768 AromaticContact CE1-CE1 3.93Å; F688-F768 HydrophobicContact CE1-CE1 3.93Å; F688-F768 HydrophobicContact CE1-CZ 4.09Å
689	V	93	Very high	91.3	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-24.3	-174.1	176.9	0	0	0	0	112.8	V685 V764 L765 F768 F809	V685-V689 HydrophobicContact CG1-CG2 4.16Å; V685-V689 WeakPolarHBondContact O-CG2 3.4Å; V685-V689 PolarHBondContact O-N 3.45Å; V689-V764 HydrophobicContact CB-CG1 4.2Å; V689-V764 HydrophobicContact CG1-CG1 3.67Å; V689-V764 HydrophobicContact CG2-CG1 4.41Å; V689-L765 HydrophobicContact CG2-CD1 3.72Å; V689-F768 HydrophobicContact CG1-CB 4.22Å; V689-F768 HydrophobicContact CG1-CD2 3.86Å; V689-F768 HydrophobicContact CG1-CG 4.3Å; V689-F768 HydrophobicContact CG2-CB 4.36Å; V689-F768 HydrophobicContact CG2-CD2 4.45Å; V689-F768 HydrophobicContact CG2-CG 4.32Å; V689-F809 HydrophobicContact CG1-CD2 4.18Å; V689-F809 HydrophobicContact CG1-CE2 3.21Å; V689-F809 HydrophobicContact CG1-CZ 3.45Å; V689-F809 VanDerWaalsContact CG1-CZ 3.45Å
690	R	91	Very high	91.2	Very high	174 Å²	174	48 Å²	48	66%	0.657	24%	0.243	S	C	*	.	H	α-helix	trans	-79.8	-13.6	173.3	-71.8	173.3	178	152.1	0.2	114.6	M686 F688	M686-R690 VanDerWaalsContact O-CB 3.26Å; M686-R690 WeakPolarHBondContact O-CB 3.29Å; M686-R690 WeakPolarHBondContact O-CD 3.32Å; M686-R690 WeakPolarHBondContact O-CG 3.45Å; M686-R690 PolarHBondContact O-N 3.15Å; M686-R690 VanDerWaalsContact O-N 3.14Å; F688-R690 PolarHBondContact O-N 3.36Å
691	S	90.8	Very high	91.1	Very high	84 Å²	84	48.8 Å²	48.8	59%	0.587	24%	0.241	S	C	*	.	H	α-helix	trans	-109.2	-11.1	-174.7	49.3	0	0	0	0	115.1	P687 F688	P687-S691 WeakPolarHBondContact O-CB 3.41Å; P687-S691 PolarHBondContact O-N 3.47Å; P687-S691 PolarHBondContact O-OG 3.35Å; F688-S691 PolarHBondContact O-N 3.04Å; F688-S691 PolarHBondContact O-OG 3.22Å
692	H	92.9	Very high	90.8	Very high	28 Å²	28	48.8 Å²	48.8	13%	0.13	24%	0.241	C	C	.	.			trans	-120.2	143.7	-177.6	-52.6	71.3	0	0	0	111	E653 F688 F768	E653-H692 VanDerWaalsContact CD-NE2 3.3Å; E653-H692 WeakPolarHBondContact CG-NE2 3.46Å; E653-H692 IonicContact OE1-NE2 2.79Å; E653-H692 IonicContact OE2-CD2 3.2Å; E653-H692 PolarHBondContact OE2-CD2 3.48Å; E653-H692 VanDerWaalsContact OE2-CD2 3.26Å; E653-H692 IonicContact OE2-NE2 3.72Å; E653-H692 PolarHBondContact OE2-NE2 3.5Å; F688-H692 AromaticContact CD2-CE1 3.46Å; F688-H692 VanDerWaalsContact CD2-CE1 3.46Å; F688-H692 WeakPolarHBondContact CD2-CE1 3.3Å; F688-H692 AromaticContact CD2-ND1 3.82Å; F688-H692 AromaticContact CE2-CE1 3.56Å; F688-H692 AromaticContact CE2-ND1 3.9Å; F688-H692 AromaticContact CE2-NE2 3.66Å; F688-H692 AromaticContact CG-ND1 3.94Å; F688-H692 PolarHBondContact O-N 3.45Å; F688-H692 PolarHBondContact O-ND1 2.92Å; H692-F768 HydrophobicContact CB-CE2 4.41Å; H692-F768 HydrophobicContact CB-CZ 4.15Å
693	S	92.7	Very high	90.2	Very high	34 Å²	34	50 Å²	50	24%	0.238	25%	0.249	C	C	.	.			trans	-87.2	134.5	166.7	171.9	0	0	0	0	109.8	I695 E696 F697	S693-I695 VanDerWaalsContact C-N 3.29Å; S693-I695 PolarHBondContact O-N 3.17Å; S693-E696 PolarHBondContact O-N 2.84Å; S693-F697 VanDerWaalsContact O-CB 3.25Å; S693-F697 WeakPolarHBondContact O-CB 3.4Å; S693-F697 PolarHBondContact O-N 3.33Å
694	P	93.6	Very high	89.6	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-56	-42	178.2	-22.8	29.9	0	0	0	113.1	A698 F768 A771 V772 F809	P694-A698 VanDerWaalsContact O-CB 3.24Å; P694-A698 WeakPolarHBondContact O-CB 3.4Å; P694-A698 PolarHBondContact O-N 3.03Å; P694-F768 HydrophobicContact CB-CD2 4.45Å; P694-F768 HydrophobicContact CB-CE2 4.27Å; P694-F768 HydrophobicContact CG-CD2 3.74Å; P694-F768 HydrophobicContact CG-CE2 3.75Å; P694-F768 HydrophobicContact CG-CG 4.48Å; P694-F768 HydrophobicContact CG-CZ 4.49Å; P694-A771 HydrophobicContact CB-CB 3.64Å; P694-A771 HydrophobicContact CG-CB 3.9Å; P694-V772 HydrophobicContact CB-CG2 4Å; P694-F809 HydrophobicContact CG-CD1 3.67Å; P694-F809 HydrophobicContact CG-CE1 3.81Å
695	I	91.7	Very high	88.7	Confident	42 Å²	42	47.3 Å²	47.3	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-43.9	-178.2	-67.1	177.3	0	0	0	110.9	S693 R699 T775 M812 I816	S693-I695 VanDerWaalsContact C-N 3.29Å; S693-I695 PolarHBondContact O-N 3.17Å; I695-R699 VanDerWaalsContact CG2-NH1 3.26Å; I695-R699 WeakPolarHBondContact O-CB 3.43Å; I695-R699 WeakPolarHBondContact O-CG 3.48Å; I695-R699 PolarHBondContact O-N 3.17Å; I695-T775 HydrophobicContact CB-CG2 4.42Å; I695-T775 HydrophobicContact CG1-CG2 4.35Å; I695-T775 HydrophobicContact CG2-CG2 4.17Å; I695-M812 HydrophobicContact CD1-CE 3.54Å; I695-M812 HydrophobicContact CG1-CE 4.01Å; I695-I816 HydrophobicContact CD1-CD1 3.92Å; I695-I816 HydrophobicContact CD1-CG1 4.32Å; I695-I816 HydrophobicContact CG1-CD1 3.82Å
696	E	91.2	Very high	87.6	Confident	107 Å²	107	48.5 Å²	48.5	50%	0.5	25%	0.249	S	C	.	.	H	α-helix	trans	-71.5	-42.3	-179.6	-61.9	-169.6	111.6	0	0	111.2	S693 A698 R699 Q700	S693-E696 PolarHBondContact O-N 2.84Å; E696-A698 PolarHBondContact O-N 3.01Å; E696-R699 PolarHBondContact O-N 3.37Å; E696-Q700 WeakPolarHBondContact O-CA 3.23Å; E696-Q700 WeakPolarHBondContact O-CB 3.14Å; E696-Q700 WeakPolarHBondContact O-CG 3.35Å; E696-Q700 PolarHBondContact O-N 3.47Å; E696-Q700 PolarHBondContact OE1-NE2 3.48Å
697	F	92.8	Very high	86.1	Confident	3 Å²	3	52.9 Å²	52.9	1%	0.013	27%	0.269	C	S	.	.	I	π-helix	trans	-61.1	-43.4	175.4	-179.5	-104.6	0	0	0	111.7	E653 V654 Y657 F688 S693 Q701 L702 F768 V772	E653-F697 HydrophobicContact CB-CD2 4.46Å; E653-F697 HydrophobicContact CB-CE2 3.89Å; V654-F697 HydrophobicContact CG2-CE2 4.14Å; V654-F697 HydrophobicContact CG2-CZ 4.13Å; Y657-F697 AromaticContact CD1-CE1 3.56Å; Y657-F697 HydrophobicContact CD1-CE1 3.56Å; Y657-F697 AromaticContact CD1-CZ 3.7Å; Y657-F697 HydrophobicContact CD1-CZ 3.7Å; Y657-F697 AromaticContact CD2-CE1 3.87Å; Y657-F697 HydrophobicContact CD2-CE1 3.87Å; Y657-F697 HydrophobicContact CD2-CZ 4.14Å; Y657-F697 AromaticContact CE1-CE1 3.7Å; Y657-F697 HydrophobicContact CE1-CE1 3.7Å; Y657-F697 HydrophobicContact CE1-CZ 4.31Å; Y657-F697 HydrophobicContact CE2-CE1 4.02Å; Y657-F697 AromaticContact CG-CE1 3.6Å; Y657-F697 HydrophobicContact CG-CE1 3.6Å; Y657-F697 AromaticContact CG-CZ 3.55Å; Y657-F697 HydrophobicContact CG-CZ 3.55Å; Y657-F697 AromaticContact CZ-CE1 3.88Å; F688-F697 HydrophobicContact CZ-CD2 4.23Å; F688-F697 AromaticContact CZ-CE2 3.9Å; F688-F697 HydrophobicContact CZ-CE2 3.9Å; F688-F697 HydrophobicContact CZ-CZ 4.06Å; S693-F697 VanDerWaalsContact O-CB 3.25Å; S693-F697 WeakPolarHBondContact O-CB 3.4Å; S693-F697 PolarHBondContact O-N 3.33Å; F697-Q701 HydrophobicContact CD2-CB 3.76Å; F697-Q701 HydrophobicContact CD2-CG 3.94Å; F697-Q701 HydrophobicContact CE2-CB 3.94Å; F697-Q701 HydrophobicContact CE2-CG 4.44Å; F697-Q701 WeakPolarHBondContact O-CB 3.27Å; F697-Q701 PolarHBondContact O-N 3.08Å; F697-Q701 VanDerWaalsContact O-N 3.15Å; F697-L702 HydrophobicContact CD1-CD1 3.92Å; F697-L702 HydrophobicContact CD1-CG 4.36Å; F697-L702 HydrophobicContact CE1-CD1 3.48Å; F697-L702 VanDerWaalsContact CE1-CD1 3.48Å; F697-L702 HydrophobicContact CE1-CG 3.76Å; F697-L702 HydrophobicContact CZ-CD1 4.26Å; F697-L702 HydrophobicContact CZ-CG 4.05Å; F697-L702 PolarHBondContact O-N 2.92Å; F697-F768 HydrophobicContact CB-CZ 4.34Å; F697-F768 HydrophobicContact CD1-CE1 4.06Å; F697-F768 HydrophobicContact CD1-CZ 4.33Å; F697-F768 HydrophobicContact CG-CZ 4.45Å; F697-V772 HydrophobicContact CD1-CG1 4.45Å; F697-V772 HydrophobicContact CD1-CG2 3.91Å
698	A	89.1	Confident	84	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-58.2	-56	173.8	0	0	0	0	0	112.1	P694 E696 V703 V772 T775 L776	P694-A698 VanDerWaalsContact O-CB 3.24Å; P694-A698 WeakPolarHBondContact O-CB 3.4Å; P694-A698 PolarHBondContact O-N 3.03Å; E696-A698 PolarHBondContact O-N 3.01Å; A698-V703 WeakPolarHBondContact O-CG2 3.41Å; A698-V703 PolarHBondContact O-N 3Å; A698-V703 VanDerWaalsContact O-N 3.15Å; A698-V772 HydrophobicContact CB-CG1 4.06Å; A698-T775 HydrophobicContact CB-CG2 3.94Å; A698-L776 HydrophobicContact CB-CD2 4.12Å; A698-L776 HydrophobicContact CB-CG 4.22Å
699	R	87.3	Confident	80.9	Confident	116 Å²	116	58.5 Å²	58.5	44%	0.438	30%	0.297	S	S	.	.	I	π-helix	trans	-80.3	-33.1	-169.8	-70.2	176	169.9	151.4	-1	114.5	I695 E696 T775 D779	I695-R699 VanDerWaalsContact CG2-NH1 3.26Å; I695-R699 WeakPolarHBondContact O-CB 3.43Å; I695-R699 WeakPolarHBondContact O-CG 3.48Å; I695-R699 PolarHBondContact O-N 3.17Å; E696-R699 PolarHBondContact O-N 3.37Å; R699-T775 HydrophobicContact CG-CG2 3.97Å; R699-D779 IonicContact CZ-OD1 2.74Å; R699-D779 IonicContact CZ-OD2 3.21Å; R699-D779 IonicContact NE-OD1 3.61Å; R699-D779 IonicContact NE-OD2 2.74Å; R699-D779 PolarHBondContact NE-OD2 3.34Å; R699-D779 IonicContact NH2-OD1 3.51Å; R699-D779 PolarHBondContact NH2-OD1 3.07Å; R699-D779 IonicContact NH2-OD2 3.21Å; R699-D779 PolarHBondContact NH2-OD2 3.37Å
700	Q	86.9	Confident	77.8	Confident	116 Å²	116	62.9 Å²	62.9	54%	0.542	33%	0.327	S	S	.	.	I	π-helix	trans	-99.6	-37.2	-173.8	-52.6	-176.5	37.6	0	0	112.5	E696 A704	E696-Q700 WeakPolarHBondContact O-CA 3.23Å; E696-Q700 WeakPolarHBondContact O-CB 3.14Å; E696-Q700 WeakPolarHBondContact O-CG 3.35Å; E696-Q700 PolarHBondContact O-N 3.47Å; E696-Q700 PolarHBondContact OE1-NE2 3.48Å; Q700-A704 WeakPolarHBondContact O-CB 3.42Å
701	Q	86	Confident	74.6	Confident	75 Å²	75	63.8 Å²	63.8	35%	0.35	34%	0.335	S	S	.	.	I	π-helix	trans	-100.4	-60.6	-175.6	-55.6	-70.3	24.1	0	0	112.4	E653 V654 F697 A704 A705	E653-Q701 VanDerWaalsContact CD-NE2 3.27Å; E653-Q701 PolarHBondContact OE1-NE2 3.39Å; E653-Q701 WeakPolarHBondContact OE2-CG 3.38Å; E653-Q701 PolarHBondContact OE2-NE2 3.44Å; V654-Q701 HydrophobicContact CG2-CB 4.18Å; F697-Q701 HydrophobicContact CD2-CB 3.76Å; F697-Q701 HydrophobicContact CD2-CG 3.94Å; F697-Q701 HydrophobicContact CE2-CB 3.94Å; F697-Q701 HydrophobicContact CE2-CG 4.44Å; F697-Q701 WeakPolarHBondContact O-CB 3.27Å; F697-Q701 PolarHBondContact O-N 3.08Å; F697-Q701 VanDerWaalsContact O-N 3.15Å; Q701-A704 PolarHBondContact O-N 3.45Å; Q701-A705 WeakPolarHBondContact O-CB 3.48Å; Q701-A705 PolarHBondContact O-N 2.9Å
702	L	84.1	Confident	71.5	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.344	C	S	.	.	I	π-helix	trans	-60	-51.3	-177.3	-93.9	167.7	0	0	0	112.3	V654 Y657 F658 F697 A704 A705 F706 Y740 V772	V654-L702 HydrophobicContact CG1-CD2 3.86Å; V654-L702 HydrophobicContact CG2-CD2 4.35Å; V654-L702 HydrophobicContact CG2-CG 4.36Å; Y657-L702 HydrophobicContact CE1-CD1 4.11Å; F658-L702 HydrophobicContact CE2-CD2 3.82Å; F658-L702 HydrophobicContact CZ-CD2 3.99Å; F697-L702 HydrophobicContact CD1-CD1 3.92Å; F697-L702 HydrophobicContact CD1-CG 4.36Å; F697-L702 HydrophobicContact CE1-CD1 3.48Å; F697-L702 VanDerWaalsContact CE1-CD1 3.48Å; F697-L702 HydrophobicContact CE1-CG 3.76Å; F697-L702 HydrophobicContact CZ-CD1 4.26Å; F697-L702 HydrophobicContact CZ-CG 4.05Å; F697-L702 PolarHBondContact O-N 2.92Å; L702-A704 VanDerWaalsContact C-N 3.29Å; L702-A704 PolarHBondContact O-N 3.33Å; L702-A705 PolarHBondContact O-N 3.4Å; L702-F706 HydrophobicContact CD2-CE2 4.13Å; L702-F706 WeakPolarHBondContact O-CD2 3.44Å; L702-Y740 HydrophobicContact CD2-CD1 4.26Å; L702-Y740 HydrophobicContact CD2-CE1 4.33Å; L702-V772 HydrophobicContact CD1-CG1 3.43Å; L702-V772 VanDerWaalsContact CD1-CG1 3.43Å
703	V	79.5	Confident	68.1	Low	37 Å²	37	71 Å²	71	22%	0.224	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-33.7	179.5	167	0	0	0	0	112.2	A698 Q707 L776	A698-V703 WeakPolarHBondContact O-CG2 3.41Å; A698-V703 PolarHBondContact O-N 3Å; A698-V703 VanDerWaalsContact O-N 3.15Å; V703-Q707 VanDerWaalsContact O-CG 3.24Å; V703-Q707 WeakPolarHBondContact O-CG 3.37Å; V703-Q707 PolarHBondContact O-N 3.45Å; V703-L776 HydrophobicContact CG2-CD2 3.65Å
704	A	77.1	Confident	64.9	Low	55 Å²	55	74 Å²	74	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-78.3	-29.6	176.6	0	0	0	0	0	113.2	Q700 Q701 L702 F706	Q700-A704 WeakPolarHBondContact O-CB 3.42Å; Q701-A704 PolarHBondContact O-N 3.45Å; L702-A704 VanDerWaalsContact C-N 3.29Å; L702-A704 PolarHBondContact O-N 3.33Å; A704-F706 VanDerWaalsContact C-N 3.32Å; A704-F706 PolarHBondContact O-N 3.04Å
705	A	73.5	Confident	61.5	Low	12 Å²	12	77.9 Å²	77.9	10%	0.099	43%	0.432	C	S	.	.	H	α-helix	trans	-69.1	-27.9	-176.3	0	0	0	0	0	114	R614 V654 Q701 L702	R614-A705 VanDerWaalsContact NH1-CA 3.35Å; R614-A705 PolarHBondContact NH1-O 3.16Å; V654-A705 HydrophobicContact CB-CB 4.2Å; V654-A705 HydrophobicContact CG1-CB 4.26Å; V654-A705 HydrophobicContact CG2-CB 3.75Å; Q701-A705 WeakPolarHBondContact O-CB 3.48Å; Q701-A705 PolarHBondContact O-N 2.9Å; L702-A705 PolarHBondContact O-N 3.4Å
706	F	69.1	Low	58.3	Low	26 Å²	26	86 Å²	86	11%	0.114	46%	0.462	C	S	.	.	H	α-helix	trans	-104.7	-15.2	178.5	-65.9	-83.1	0	0	0	113.5	V618 V654 F658 L702 A704 H708 N738 Y740	V618-F706 HydrophobicContact CG2-CE1 4.41Å; V618-F706 HydrophobicContact CG2-CZ 3.85Å; V654-F706 HydrophobicContact CG1-CE2 3.89Å; V654-F706 HydrophobicContact CG1-CZ 4.36Å; F658-F706 HydrophobicContact CE2-CE2 4.24Å; F658-F706 HydrophobicContact CE2-CZ 4.3Å; L702-F706 HydrophobicContact CD2-CE2 4.13Å; L702-F706 WeakPolarHBondContact O-CD2 3.44Å; A704-F706 VanDerWaalsContact C-N 3.32Å; A704-F706 PolarHBondContact O-N 3.04Å; F706-H708 PolarHBondContact O-N 3.03Å; F706-N738 CarbonylContact C-O 3.58Å; F706-Y740 HydrophobicContact CD2-CD2 4.33Å; F706-Y740 HydrophobicContact CD2-CG 4.25Å; F706-Y740 HydrophobicContact CE2-CD2 4.23Å; F706-Y740 HydrophobicContact CE2-CG 4.48Å
707	Q	60.3	Low	55.1	Low	106 Å²	106	86.6 Å²	86.6	50%	0.495	47%	0.472	S	S	.	.	S	Bend	trans	-60.6	104.5	166.2	-84.2	176.5	32.8	0	0	110.3	V703 T709	V703-Q707 VanDerWaalsContact O-CG 3.24Å; V703-Q707 WeakPolarHBondContact O-CG 3.37Å; V703-Q707 PolarHBondContact O-N 3.45Å; Q707-T709 PolarHBondContact O-N 3.32Å
708	H	47.2	Very low	51.8	Low	84 Å²	84	90.9 Å²	90.9	39%	0.389	50%	0.503	S	S	.	.			trans	-52.1	129.3	170.1	-97.3	-106.3	0	0	0	109.8	F706 C710	F706-H708 PolarHBondContact O-N 3.03Å; H708-C710 PolarHBondContact O-N 3.11Å
709	T	29.3	Very low	48.6	Very low	122 Å²	122	100.1 Å²	100.1	75%	0.748	55%	0.546	S	S	*	.			trans	-72.4	82.1	171.4	44.5	0	0	0	0	109.6	Q707 K711	Q707-T709 PolarHBondContact O-N 3.32Å; T709-K711 PolarHBondContact O-N 3.32Å
710	C	26.8	Very low	45.6	Very low	95 Å²	95	100.2 Å²	100.2	64%	0.642	57%	0.565	S	S	*	*			trans	-58.5	87.7	155	-68.2	0	0	0	0	107.7	H708 N712	H708-C710 PolarHBondContact O-N 3.11Å; C710-N712 VanDerWaalsContact C-N 3.32Å; C710-N712 PolarHBondContact O-N 3.41Å
711	K	25.7	Very low	42.5	Very low	193 Å²	193	104 Å²	104	84%	0.839	58%	0.582	S	S	*	*			trans	-63.9	96.6	169.8	-75.5	-177.6	178.4	175.2	0	107.5	T709 S713	T709-K711 PolarHBondContact O-N 3.32Å; K711-S713 PolarHBondContact O-N 2.95Å
712	N	24.3	Very low	39.6	Very low	144 Å²	144	107.1 Å²	107.1	77%	0.77	61%	0.607	S	S	*	*			trans	-49.4	132.9	161.2	-76.4	-7.4	0	0	0	108.2	C710 A714	C710-N712 VanDerWaalsContact C-N 3.32Å; C710-N712 PolarHBondContact O-N 3.41Å; N712-A714 PolarHBondContact O-N 3.46Å
713	S	22.8	Very low	36.7	Very low	121 Å²	121	112.1 Å²	112.1	85%	0.846	64%	0.642	S	S	*	*			trans	-70	72.4	177.1	35.3	0	0	0	0	110.7	K711 S715	K711-S713 PolarHBondContact O-N 2.95Å; S713-S715 VanDerWaalsContact C-N 3.33Å; S713-S715 PolarHBondContact O-N 2.92Å
714	A	24.3	Very low	34.1	Very low	96 Å²	96	120.2 Å²	120.2	79%	0.793	67%	0.674	S	S	*	*			trans	-72.9	81.1	-178.2	0	0	0	0	0	111.6	N712	N712-A714 PolarHBondContact O-N 3.46Å
715	S	22.7	Very low	31.5	Very low	86 Å²	86	122.9 Å²	122.9	60%	0.601	69%	0.685	S	S	*	*			trans	-146.8	99.7	-177.4	-70.5	0	0	0	0	112.2	S713	S713-S715 VanDerWaalsContact C-N 3.33Å; S713-S715 PolarHBondContact O-N 2.92Å
716	Y	25.1	Very low	29.1	Very low	213 Å²	213	129.4 Å²	129.4	84%	0.835	72%	0.718	S	S	*	*			trans	68.8	141.8	163.5	-48.2	-78.1	0	0	0	117
717	T	23.4	Very low	26.9	Very low	118 Å²	118	135.8 Å²	135.8	72%	0.724	75%	0.754	S	S	*	*			cis	-159.7	160.4	-8.8	4.2	0	0	0	0	112.9
718	S	23	Very low	25.2	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	78%	0.775	S	S	*	*			trans	51.5	114.9	147.1	64.2	0	0	0	0	121.7
719	E	21.6	Very low	24	Very low	193 Å²	193	140.6 Å²	140.6	90%	0.902	79%	0.786	S	S	*	*				47.2	105.2	126.7	-58.3	-175.6	152.6	0	0	120.3
720	S	24.8	Very low	23.7	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	79%	0.786	S	S	*	*				-149.9	134.2	125.6	50.5	0	0	0	0	110.8
721	Q	22.9	Very low	23.6	Very low	195 Å²	195	143.7 Å²	143.7	91%	0.911	80%	0.797	S	S	*	*			trans	-95.1	118.1	173.4	-69.7	179.8	-9.4	0	0	109.9
722	T	24.2	Very low	23.5	Very low	140 Å²	140	140.1 Å²	140.1	86%	0.859	79%	0.791	S	S	*	*			trans	-149.6	129.2	150.4	43	0	0	0	0	110.3
723	S	22.6	Very low	23.5	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	79%	0.79	S	S	*	*			trans	-79.4	140.7	172.6	53.5	0	0	0	0	112.1
724	F	25	Very low	23.7	Very low	208 Å²	208	146.7 Å²	146.7	91%	0.912	79%	0.793	S	S	*	*			trans	-156.6	171.1	135.1	-107.6	-67.2	0	0	0	111.1
725	T	22.3	Very low	23.8	Very low	110 Å²	110	144.8 Å²	144.8	68%	0.675	77%	0.773	S	S	*	*			trans	-103.8	153.3	-156.5	50	0	0	0	0	115
726	N	23	Very low	24.1	Very low	149 Å²	149	143.5 Å²	143.5	80%	0.797	76%	0.763	S	S	*	*			trans	58.6	112.3	156.6	-63.4	-1.6	0	0	0	118.4
727	N	23.5	Very low	24.7	Very low	161 Å²	161	136.8 Å²	136.8	86%	0.861	74%	0.74	S	S	*	*				-157	150.4	120.8	-99.6	-26.4	0	0	0	111.1
728	Q	24.9	Very low	25.6	Very low	204 Å²	204	134.1 Å²	134.1	95%	0.953	72%	0.721	S	S	*	*			trans	-99	93.8	175.4	-68.4	174.8	-76.5	0	0	109.9
729	S	22.2	Very low	26.8	Very low	87 Å²	87	135.9 Å²	135.9	61%	0.608	71%	0.713	S	S	*	*			trans	-162.7	136.5	169.6	52.1	0	0	0	0	112.1
730	D	22.9	Very low	28.7	Very low	142 Å²	142	127.6 Å²	127.6	76%	0.759	67%	0.674	S	S	*	*			trans	56.1	62.1	149.9	-51.2	-32.1	0	0	0	119.1	T732	D730-T732 VanDerWaalsContact C-N 3.31Å; D730-T732 PolarHBondContact O-N 2.97Å
731	T	23.9	Very low	30.3	Very low	140 Å²	140	125.9 Å²	125.9	86%	0.859	66%	0.659	S	S	*	*			trans	-70	90.6	148.3	52.6	0	0	0	0	109.7	K733	T731-K733 PolarHBondContact O-N 3.03Å
732	T	23.3	Very low	32.4	Very low	117 Å²	117	117 Å²	117	72%	0.718	62%	0.619	S	S	*	*			trans	-69.6	64.5	172.1	41.8	0	0	0	0	111.7	D730 Y734	D730-T732 VanDerWaalsContact C-N 3.31Å; D730-T732 PolarHBondContact O-N 2.97Å; T732-Y734 PolarHBondContact O-N 3.43Å
733	K	25.6	Very low	34.5	Very low	174 Å²	174	110.5 Å²	110.5	76%	0.757	58%	0.58	S	S	*	*			trans	-67.5	102.7	177	-172.8	178.4	-176.9	-179	0	109.2	T731 C735	T731-K733 PolarHBondContact O-N 3.03Å; K733-C735 PolarHBondContact O-N 3.21Å; K733-C735 PolarHBondContact O-SG 2.68Å; K733-C735 VanDerWaalsContact O-SG 3.33Å
734	Y	26.3	Very low	37	Very low	229 Å²	229	108 Å²	108	90%	0.898	56%	0.56	S	S	*	*			trans	-46	103.8	177.6	-72.6	-93	0	0	0	111.4	T732 C736	T732-Y734 PolarHBondContact O-N 3.43Å; Y734-C736 PolarHBondContact O-N 3.44Å
735	C	26.3	Very low	39.6	Very low	56 Å²	56	99.1 Å²	99.1	38%	0.378	53%	0.525	S	S	.	.			trans	-86.9	94.8	176.1	-73.1	0	0	0	0	109	K733 E737 R739	K733-C735 PolarHBondContact O-N 3.21Å; K733-C735 PolarHBondContact O-SG 2.68Å; K733-C735 VanDerWaalsContact O-SG 3.33Å; C735-E737 HydrophobicContact CB-CG 4.46Å; C735-E737 PolarHBondContact O-N 3.38Å; C735-R739 PolarHBondContact SG-NH2 2.87Å
736	C	29.4	Very low	42.5	Very low	59 Å²	59	98.1 Å²	98.1	40%	0.399	52%	0.516	S	S	.	.			trans	-59.2	117.2	152.8	175.6	0	0	0	0	107.2	Y734 N738	Y734-C736 PolarHBondContact O-N 3.44Å; C736-N738 VanDerWaalsContact C-N 3.32Å; C736-N738 PolarHBondContact O-N 2.92Å
737	E	38.5	Very low	45.6	Very low	72 Å²	72	91.2 Å²	91.2	34%	0.336	48%	0.479	S	S	.	.			trans	-88.3	8.7	-168.8	-89.9	171.3	-163.1	0	0	114.8	Q347 C735 R739	Q347-E737 PolarHBondContact NE2-OE1 3.39Å; C735-E737 HydrophobicContact CB-CG 4.46Å; C735-E737 PolarHBondContact O-N 3.38Å; E737-R739 PolarHBondContact O-N 3.41Å
738	N	40.9	Very low	48.8	Very low	62 Å²	62	83.6 Å²	83.6	33%	0.332	44%	0.438	S	S	.	.			trans	-70.5	38.9	167.9	-69.7	14.4	0	0	0	112.8	F706 C736	F706-N738 CarbonylContact C-O 3.58Å; C736-N738 VanDerWaalsContact C-N 3.32Å; C736-N738 PolarHBondContact O-N 2.92Å
739	R	49.8	Very low	51.8	Low	132 Å²	132	77.7 Å²	77.7	50%	0.498	41%	0.409	S	S	.	.			trans	-72.5	141.7	166.1	-57.7	-174.3	-163.4	170.6	8.9	108	C735 E737 T741	C735-R739 PolarHBondContact SG-NH2 2.87Å; E737-R739 PolarHBondContact O-N 3.41Å; R739-T741 PolarHBondContact O-N 2.73Å
740	Y	60.8	Low	55	Low	18 Å²	18	78.5 Å²	78.5	7%	0.071	40%	0.399	C	S	.	.			trans	-61.2	108.7	163.8	-178.9	-101.4	0	0	0	108.6	F658 L702 F706 G742 E773 L776	F658-Y740 AromaticContact CZ-CE2 3.85Å; F658-Y740 HydrophobicContact CZ-CE2 3.85Å; F658-Y740 AromaticContact CZ-CZ 3.91Å; L702-Y740 HydrophobicContact CD2-CD1 4.26Å; L702-Y740 HydrophobicContact CD2-CE1 4.33Å; F706-Y740 HydrophobicContact CD2-CD2 4.33Å; F706-Y740 HydrophobicContact CD2-CG 4.25Å; F706-Y740 HydrophobicContact CE2-CD2 4.23Å; F706-Y740 HydrophobicContact CE2-CG 4.48Å; Y740-G742 PolarHBondContact O-N 3.24Å; Y740-E773 WeakPolarHBondContact CE1-OE1 3.26Å; Y740-E773 PolarHBondContact OH-OE1 3.05Å; Y740-L776 HydrophobicContact CD1-CD1 3.7Å; Y740-L776 HydrophobicContact CE1-CD1 3.65Å
741	T	57.6	Low	58.4	Low	84 Å²	84	71.7 Å²	71.7	52%	0.515	36%	0.362	S	S	.	.			trans	-80	6	-173.8	45.4	0	0	0	0	113.7	R739 K777 M780	R739-T741 PolarHBondContact O-N 2.73Å; T741-K777 PolarHBondContact O-NZ 2.82Å; T741-M780 HydrophobicContact CG2-CE 4.15Å
742	G	67.1	Low	61.5	Low	8 Å²	8	66.6 Å²	66.6	8%	0.082	33%	0.33	C	S	.	.			trans	72.4	161	-169.8	0	0	0	0	0	112.9	Y740 E773 K777	Y740-G742 PolarHBondContact O-N 3.24Å; G742-E773 WeakPolarHBondContact CA-OE1 3.46Å; G742-E773 WeakPolarHBondContact CA-OE2 3.35Å; G742-K777 PolarHBondContact O-NZ 3.23Å; G742-K777 VanDerWaalsContact O-NZ 3.13Å
743	G	69	Low	64.7	Low	3 Å²	3	64.7 Å²	64.7	3%	0.031	32%	0.319	C	S	.	.			trans	-50.8	146.6	176.1	0	0	0	0	0	114	E773 K777	G743-E773 PolarHBondContact N-OE1 3.34Å; G743-E773 PolarHBondContact N-OE2 3.08Å; G743-K777 WeakPolarHBondContact O-CE 3.26Å; G743-K777 PolarHBondContact O-NZ 3.42Å
744	T	75.5	Confident	67.8	Low	52 Å²	52	56.4 Å²	56.4	32%	0.319	28%	0.283	S	S	.	.			trans	-69.9	168.8	170.6	57.9	0	0	0	0	111.1	D746 W747 L748	T744-D746 PolarHBondContact O-N 3.29Å; T744-W747 WeakPolarHBondContact O-CB 3.48Å; T744-W747 PolarHBondContact O-N 3.29Å; T744-W747 WeakPolarHBondContact OG1-CB 3.31Å; T744-W747 PolarHBondContact OG1-N 2.97Å; T744-W747 VanDerWaalsContact OG1-N 3.13Å; T744-L748 WeakPolarHBondContact O-CG 3.47Å; T744-L748 PolarHBondContact O-N 2.87Å
745	A	79.6	Confident	70.7	Confident	22 Å²	22	45.9 Å²	45.9	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-52.3	-45.4	171.7	0	0	0	0	0	111.3	L748 K749 V785	A745-L748 PolarHBondContact O-N 3.18Å; A745-K749 WeakPolarHBondContact O-CB 3.49Å; A745-K749 VanDerWaalsContact O-CG 3.28Å; A745-K749 WeakPolarHBondContact O-CG 3.39Å; A745-K749 PolarHBondContact O-N 3.44Å; A745-V785 HydrophobicContact CB-CG1 3.91Å
746	D	81.5	Confident	73.4	Confident	89 Å²	89	49.8 Å²	49.8	48%	0.476	25%	0.253	S	S	.	.	H	α-helix	trans	-72.4	-32.3	-178.5	-58.3	-41.4	0	0	0	113.4	F626 T744 K749 R750	F626-D746 HydrophobicContact CE1-CB 4.45Å; T744-D746 PolarHBondContact O-N 3.29Å; D746-K749 PolarHBondContact O-N 3.46Å; D746-R750 WeakPolarHBondContact O-CB 3.44Å; D746-R750 VanDerWaalsContact O-CD 3.32Å; D746-R750 WeakPolarHBondContact O-CD 3.2Å; D746-R750 WeakPolarHBondContact O-CG 3.33Å; D746-R750 PolarHBondContact O-N 3.06Å
747	W	88.1	Confident	76.1	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.019	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-49.7	168.8	175.4	-68.5	0	0	0	110.7	M621 L625 F626 F658 T744 R750 L751 H769	M621-W747 HydrophobicContact CB-CH2 4.23Å; M621-W747 HydrophobicContact CE-CZ2 4.03Å; M621-W747 HydrophobicContact CG-CH2 3.45Å; M621-W747 VanDerWaalsContact CG-CH2 3.45Å; M621-W747 HydrophobicContact CG-CZ2 3.66Å; M621-W747 HydrophobicContact CG-CZ3 4.49Å; L625-W747 HydrophobicContact CD1-CD2 3.38Å; L625-W747 HydrophobicContact CD1-CE3 3.62Å; L625-W747 HydrophobicContact CD1-CG 3.84Å; L625-W747 HydrophobicContact CD1-CH2 4.07Å; L625-W747 HydrophobicContact CD1-CZ2 3.89Å; L625-W747 HydrophobicContact CD1-CZ3 3.95Å; F626-W747 AromaticContact CE2-CE3 3.88Å; F626-W747 HydrophobicContact CE2-CE3 3.88Å; F626-W747 HydrophobicContact CZ-CB 4.2Å; F658-W747 HydrophobicContact CE1-CH2 4.48Å; F658-W747 HydrophobicContact CE1-CZ2 4.26Å; T744-W747 WeakPolarHBondContact O-CB 3.48Å; T744-W747 PolarHBondContact O-N 3.29Å; T744-W747 WeakPolarHBondContact OG1-CB 3.31Å; T744-W747 PolarHBondContact OG1-N 2.97Å; T744-W747 VanDerWaalsContact OG1-N 3.13Å; W747-R750 PolarHBondContact O-N 3.11Å; W747-L751 PolarHBondContact O-N 3.36Å; W747-H769 AromaticContact CD1-NE2 3.8Å; W747-H769 AromaticContact NE1-CE1 3.55Å; W747-H769 AromaticContact NE1-NE2 3.17Å; W747-H769 PolarHBondContact NE1-NE2 3.31Å; W747-H769 VanDerWaalsContact NE1-NE2 3.17Å
748	L	90.8	Very high	77.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.1	-37.8	-178	-62.6	173.4	0	0	0	111.6	T744 A745 L751 F770 E773 V785 F786 I791	T744-L748 WeakPolarHBondContact O-CG 3.47Å; T744-L748 PolarHBondContact O-N 2.87Å; A745-L748 PolarHBondContact O-N 3.18Å; L748-L751 PolarHBondContact O-N 2.87Å; L748-F770 HydrophobicContact CB-CE1 4.18Å; L748-F770 HydrophobicContact CD2-CD1 4.05Å; L748-F770 HydrophobicContact CD2-CE1 3.92Å; L748-E773 HydrophobicContact CD2-CB 4.12Å; L748-E773 HydrophobicContact CD2-CG 3.89Å; L748-V785 HydrophobicContact CD1-CG1 3.9Å; L748-F786 HydrophobicContact CD1-CE2 4.34Å; L748-F786 HydrophobicContact CD1-CZ 4.38Å; L748-I791 HydrophobicContact CB-CD1 3.5Å
749	K	89.2	Confident	79.9	Confident	80 Å²	80	51.3 Å²	51.3	35%	0.348	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-43.7	171.4	-74.3	167.4	178.8	169.4	0	112.4	A745 D746 L751 I752 E788 S789	A745-K749 WeakPolarHBondContact O-CB 3.49Å; A745-K749 VanDerWaalsContact O-CG 3.28Å; A745-K749 WeakPolarHBondContact O-CG 3.39Å; A745-K749 PolarHBondContact O-N 3.44Å; D746-K749 PolarHBondContact O-N 3.46Å; K749-L751 PolarHBondContact O-N 3Å; K749-I752 VanDerWaalsContact O-CB 3.31Å; K749-I752 WeakPolarHBondContact O-CB 3.41Å; K749-I752 WeakPolarHBondContact O-CG1 3.45Å; K749-I752 PolarHBondContact O-N 3.22Å; K749-I752 VanDerWaalsContact O-N 3.09Å; K749-E788 WeakPolarHBondContact CE-O 3.29Å; K749-E788 PolarHBondContact NZ-O 3.22Å; K749-S789 VanDerWaalsContact CE-CA 3.41Å; K749-S789 WeakPolarHBondContact CE-OG 3.2Å
750	R	89.8	Confident	81.7	Confident	104 Å²	104	47.9 Å²	47.9	39%	0.392	24%	0.24	S	C	.	.	H	α-helix	trans	-66.9	-14.5	179.8	-73.9	164.1	178.3	-84.5	-1	113.7	L625 D746 W747 P753	L625-R750 HydrophobicContact CB-CB 4.48Å; L625-R750 HydrophobicContact CD2-CB 3.8Å; L625-R750 WeakPolarHBondContact O-CD 3.48Å; L625-R750 PolarHBondContact O-NH1 2.78Å; D746-R750 WeakPolarHBondContact O-CB 3.44Å; D746-R750 VanDerWaalsContact O-CD 3.32Å; D746-R750 WeakPolarHBondContact O-CD 3.2Å; D746-R750 WeakPolarHBondContact O-CG 3.33Å; D746-R750 PolarHBondContact O-N 3.06Å; W747-R750 PolarHBondContact O-N 3.11Å; R750-P753 WeakPolarHBondContact O-CD 3.28Å
751	L	92.4	Very high	83.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-87.1	-15.1	172.6	-71.7	172.1	0	0	0	114.3	M621 L625 V665 W747 L748 K749 P753 V754 V766 H769 F770	M621-L751 HydrophobicContact CE-CD2 4.02Å; L625-L751 HydrophobicContact CD2-CD2 3.86Å; L625-L751 HydrophobicContact CD2-CG 4.06Å; V665-L751 HydrophobicContact CG2-CD2 3.59Å; W747-L751 PolarHBondContact O-N 3.36Å; L748-L751 PolarHBondContact O-N 2.87Å; K749-L751 PolarHBondContact O-N 3Å; L751-P753 VanDerWaalsContact C-CD 3.49Å; L751-V754 HydrophobicContact CD2-CG2 4.28Å; L751-V754 WeakPolarHBondContact O-CB 3.31Å; L751-V754 PolarHBondContact O-N 2.99Å; L751-V766 HydrophobicContact CB-CG1 3.86Å; L751-V766 HydrophobicContact CD2-CG2 4.12Å; L751-H769 WeakPolarHBondContact CD1-CD2 3.38Å; L751-H769 VanDerWaalsContact CD1-NE2 3.35Å; L751-H769 WeakPolarHBondContact CD1-NE2 3.21Å; L751-F770 HydrophobicContact CB-CE1 4.41Å; L751-F770 HydrophobicContact CB-CZ 4.05Å
752	I	90.4	Very high	84.9	Confident	33 Å²	33	44.1 Å²	44.1	17%	0.169	22%	0.217	C	C	.	.	H	α-helix	trans	-55.4	-42.6	179.6	-64.7	170.1	0	0	0	113	K749 V754 M755 F756 I791 I794	K749-I752 VanDerWaalsContact O-CB 3.31Å; K749-I752 WeakPolarHBondContact O-CB 3.41Å; K749-I752 WeakPolarHBondContact O-CG1 3.45Å; K749-I752 PolarHBondContact O-N 3.22Å; K749-I752 VanDerWaalsContact O-N 3.09Å; I752-V754 PolarHBondContact O-N 3.16Å; I752-M755 WeakPolarHBondContact O-CB 3.16Å; I752-M755 PolarHBondContact O-N 3.02Å; I752-M755 VanDerWaalsContact O-N 3.16Å; I752-F756 HydrophobicContact CG2-CD2 4.15Å; I752-F756 HydrophobicContact CG2-CE2 3.78Å; I752-F756 WeakPolarHBondContact O-CD2 3.49Å; I752-I791 HydrophobicContact CD1-CG1 4.01Å; I752-I791 HydrophobicContact CG1-CG1 4.26Å; I752-I794 HydrophobicContact CB-CD1 4.4Å; I752-I794 HydrophobicContact CD1-CD1 3.66Å; I752-I794 HydrophobicContact CG1-CD1 3.88Å; I752-I794 HydrophobicContact CG2-CD1 3.63Å
753	P	89.7	Confident	86.1	Confident	76 Å²	76	45 Å²	45	49%	0.494	22%	0.218	S	C	.	.	H	α-helix	trans	-59.4	-28.9	176.7	-25.5	36.1	0	0	0	114.1	R750 L751 F756 S757	R750-P753 WeakPolarHBondContact O-CD 3.28Å; L751-P753 VanDerWaalsContact C-CD 3.49Å; P753-F756 CarbonylContact O-C 3.46Å; P753-F756 PolarHBondContact O-N 3.15Å; P753-S757 PolarHBondContact O-N 2.67Å
754	V	91.1	Very high	87.2	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-69.2	-35.8	179.4	-166.3	0	0	0	0	111.2	A664 V665 T668 L751 I752 F756 S757 P762 R763 V766	A664-V754 HydrophobicContact CB-CG1 4.38Å; V665-V754 HydrophobicContact CG2-CG2 4.17Å; T668-V754 HydrophobicContact CG2-CB 4.12Å; T668-V754 HydrophobicContact CG2-CG1 4.2Å; T668-V754 HydrophobicContact CG2-CG2 3.82Å; L751-V754 HydrophobicContact CD2-CG2 4.28Å; L751-V754 WeakPolarHBondContact O-CB 3.31Å; L751-V754 PolarHBondContact O-N 2.99Å; I752-V754 PolarHBondContact O-N 3.16Å; V754-F756 PolarHBondContact O-N 3.35Å; V754-S757 VanDerWaalsContact O-CB 3.23Å; V754-S757 WeakPolarHBondContact O-CB 3.32Å; V754-S757 PolarHBondContact O-N 3.45Å; V754-S757 VanDerWaalsContact O-N 3.08Å; V754-S757 PolarHBondContact O-OG 3.38Å; V754-P762 HydrophobicContact CG1-CB 3.62Å; V754-R763 WeakPolarHBondContact O-CG 3.48Å; V754-V766 HydrophobicContact CB-CB 4.45Å; V754-V766 HydrophobicContact CB-CG2 3.8Å; V754-V766 HydrophobicContact CG1-CB 4.45Å; V754-V766 HydrophobicContact CG1-CG2 3.6Å; V754-V766 HydrophobicContact CG2-CG2 4.36Å
755	M	86.6	Confident	88.2	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-23.3	174.7	-65.5	-64.8	-68.5	0	0	113.3	I752 R763 V766 A767 F770 V798	I752-M755 WeakPolarHBondContact O-CB 3.16Å; I752-M755 PolarHBondContact O-N 3.02Å; I752-M755 VanDerWaalsContact O-N 3.16Å; M755-R763 WeakPolarHBondContact O-CD 3.27Å; M755-R763 WeakPolarHBondContact O-CG 3.34Å; M755-V766 HydrophobicContact CG-CB 4.39Å; M755-V766 HydrophobicContact CG-CG1 3.8Å; M755-V766 HydrophobicContact SD-CB 3.7Å; M755-V766 HydrophobicContact SD-CG1 3.56Å; M755-V766 VanDerWaalsContact SD-CG1 3.56Å; M755-A767 HydrophobicContact CE-CB 4.02Å; M755-A767 HydrophobicContact SD-CB 4.32Å; M755-A767 PolarHBondContact SD-N 2.96Å; M755-F770 HydrophobicContact CG-CD2 4.48Å; M755-F770 HydrophobicContact CG-CE2 3.77Å; M755-F770 HydrophobicContact SD-CD2 4.22Å; M755-F770 HydrophobicContact SD-CE2 4.07Å; M755-V798 HydrophobicContact CE-CB 4.26Å; M755-V798 HydrophobicContact CE-CG1 3.86Å; M755-V798 HydrophobicContact CE-CG2 3.75Å
756	F	84.2	Confident	88.9	Confident	137 Å²	137	41.3 Å²	41.3	60%	0.601	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	12.6	177.3	-58.4	-65.4	0	0	0	112.7	I752 P753 V754 I794	I752-F756 HydrophobicContact CG2-CD2 4.15Å; I752-F756 HydrophobicContact CG2-CE2 3.78Å; I752-F756 WeakPolarHBondContact O-CD2 3.49Å; P753-F756 CarbonylContact O-C 3.46Å; P753-F756 PolarHBondContact O-N 3.15Å; V754-F756 PolarHBondContact O-N 3.35Å; F756-I794 HydrophobicContact CE2-CG2 4.27Å; F756-I794 HydrophobicContact CZ-CG1 4.44Å; F756-I794 HydrophobicContact CZ-CG2 3.95Å
757	S	84.7	Confident	89.5	Confident	16 Å²	16	37 Å²	37	11%	0.112	17%	0.17	C	C	.	.			trans	-70.3	155.6	176.9	71.6	0	0	0	0	112.2	P753 V754 Q759 R763	P753-S757 PolarHBondContact O-N 2.67Å; V754-S757 VanDerWaalsContact O-CB 3.23Å; V754-S757 WeakPolarHBondContact O-CB 3.32Å; V754-S757 PolarHBondContact O-N 3.45Å; V754-S757 VanDerWaalsContact O-N 3.08Å; V754-S757 PolarHBondContact O-OG 3.38Å; S757-Q759 VanDerWaalsContact C-N 3.26Å; S757-Q759 PolarHBondContact O-N 2.92Å; S757-R763 WeakPolarHBondContact O-CD 3.3Å; S757-R763 PolarHBondContact O-NH1 3.05Å
758	K	77.1	Confident	89.8	Confident	175 Å²	175	36.8 Å²	36.8	76%	0.761	17%	0.169	S	C	*	.	S	Bend	trans	-69.9	-22.4	-177.9	-64.8	-178.3	-179	178.6	0	113.7	R763 C965	K758-R763 PolarHBondContact O-NH1 3.22Å; K758-C965 HydrophobicContact CD-CB 4.45Å
759	Q	83.9	Confident	90	Very high	34 Å²	34	36.8 Å²	36.8	16%	0.159	17%	0.169	C	C	.	.			trans	-88.8	145.6	-175.9	-60.2	-176.2	-4.6	0	0	110	N677 S757 P762 R763	N677-Q759 PolarHBondContact ND2-NE2 2.95Å; N677-Q759 PolarHBondContact OD1-NE2 3.15Å; S757-Q759 VanDerWaalsContact C-N 3.26Å; S757-Q759 PolarHBondContact O-N 2.92Å; Q759-P762 HydrophobicContact CB-CG 3.84Å; Q759-R763 WeakPolarHBondContact O-CG 3.37Å; Q759-R763 PolarHBondContact O-NH1 3.17Å
760	F	86.8	Confident	90.3	Very high	60 Å²	60	33 Å²	33	26%	0.263	15%	0.152	S	C	.	.	H	α-helix	trans	-80.5	-40.9	-174.7	170.1	-117.7	0	0	0	111.6	M686 R763 V764 T803 E806	M686-F760 HydrophobicContact CE-CE1 3.67Å; M686-F760 HydrophobicContact CE-CZ 4.21Å; M686-F760 HydrophobicContact SD-CD1 4.39Å; M686-F760 HydrophobicContact SD-CE1 4.05Å; F760-R763 PolarHBondContact O-N 3.42Å; F760-V764 HydrophobicContact CD1-CG2 4.46Å; F760-V764 HydrophobicContact CD2-CG2 3.86Å; F760-V764 HydrophobicContact CE1-CG2 4.07Å; F760-V764 HydrophobicContact CE2-CG2 3.39Å; F760-V764 HydrophobicContact CG-CG2 4.37Å; F760-V764 HydrophobicContact CZ-CG2 3.52Å; F760-V764 WeakPolarHBondContact O-CG2 3.18Å; F760-V764 PolarHBondContact O-N 2.65Å; F760-T803 HydrophobicContact CD2-CG2 3.9Å; F760-T803 HydrophobicContact CE2-CG2 3.68Å; F760-E806 VanDerWaalsContact CD2-OE1 3.23Å; F760-E806 WeakPolarHBondContact CD2-OE1 3.45Å; F760-E806 HydrophobicContact CE2-CG 4.37Å
761	E	91.5	Very high	90.5	Very high	23 Å²	23	28 Å²	28	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-45.7	-173.6	-58.5	69.2	-156	0	0	111.7	V685 M686 R763 V764 L765 Y959	V685-E761 HydrophobicContact CB-CB 4.28Å; V685-E761 HydrophobicContact CG1-CB 4.34Å; V685-E761 WeakPolarHBondContact CG1-O 3.49Å; M686-E761 HydrophobicContact CG-CB 4.45Å; M686-E761 HydrophobicContact CG-CG 3.71Å; M686-E761 HydrophobicContact SD-CB 4.48Å; M686-E761 HydrophobicContact SD-CG 4.17Å; E761-R763 PolarHBondContact O-N 3.5Å; E761-V764 PolarHBondContact O-N 3.49Å; E761-L765 PolarHBondContact O-N 3.31Å; E761-L765 VanDerWaalsContact O-N 3.11Å; E761-Y959 PolarHBondContact OE1-OH 3.26Å
762	P	93.2	Very high	90.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-41.5	172.5	-26.7	38.4	0	0	0	114.2	A664 S667 L682 V754 Q759 L765 V766	A664-P762 HydrophobicContact CB-CB 3.84Å; A664-P762 HydrophobicContact CB-CG 4.4Å; S667-P762 WeakPolarHBondContact OG-CG 3.2Å; L682-P762 HydrophobicContact CD1-CG 4.27Å; L682-P762 HydrophobicContact CD2-CG 4.27Å; V754-P762 HydrophobicContact CG1-CB 3.62Å; Q759-P762 HydrophobicContact CB-CG 3.84Å; P762-L765 PolarHBondContact O-N 3.32Å; P762-V766 PolarHBondContact O-N 3.4Å
763	R	92.8	Very high	90.6	Very high	26 Å²	26	26.5 Å²	26.5	10%	0.098	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-46.3	178.8	-66.7	-169.9	-53.3	-116	12.7	111.7	V754 M755 S757 K758 Q759 F760 E761 L765 V766 A767 E806 D962	V754-R763 WeakPolarHBondContact O-CG 3.48Å; M755-R763 WeakPolarHBondContact O-CD 3.27Å; M755-R763 WeakPolarHBondContact O-CG 3.34Å; S757-R763 WeakPolarHBondContact O-CD 3.3Å; S757-R763 PolarHBondContact O-NH1 3.05Å; K758-R763 PolarHBondContact O-NH1 3.22Å; Q759-R763 WeakPolarHBondContact O-CG 3.37Å; Q759-R763 PolarHBondContact O-NH1 3.17Å; F760-R763 PolarHBondContact O-N 3.42Å; E761-R763 PolarHBondContact O-N 3.5Å; R763-L765 VanDerWaalsContact C-N 3.3Å; R763-L765 PolarHBondContact O-N 2.88Å; R763-V766 PolarHBondContact O-N 3.35Å; R763-A767 WeakPolarHBondContact O-CB 3.49Å; R763-A767 PolarHBondContact O-N 3.06Å; R763-E806 HydrophobicContact CB-CG 4.23Å; R763-E806 WeakPolarHBondContact CB-OE1 3.42Å; R763-E806 IonicContact CZ-OE1 3.8Å; R763-E806 IonicContact NE-OE1 3.55Å; R763-E806 PolarHBondContact NE-OE1 3.04Å; R763-E806 IonicContact NE-OE2 2.8Å; R763-E806 IonicContact NH2-OE1 2.75Å; R763-E806 PolarHBondContact NH2-OE1 3.17Å; R763-D962 IonicContact NH2-OD2 3.52Å
764	V	93.1	Very high	90.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.8	-41.9	176.4	169	0	0	0	0	111.3	M686 V689 F760 E761 F768 L805 E806 F809	M686-V764 HydrophobicContact CE-CG1 4.21Å; M686-V764 HydrophobicContact SD-CB 4.21Å; M686-V764 HydrophobicContact SD-CG1 3.96Å; M686-V764 HydrophobicContact SD-CG2 4.38Å; V689-V764 HydrophobicContact CB-CG1 4.2Å; V689-V764 HydrophobicContact CG1-CG1 3.67Å; V689-V764 HydrophobicContact CG2-CG1 4.41Å; F760-V764 HydrophobicContact CD1-CG2 4.46Å; F760-V764 HydrophobicContact CD2-CG2 3.86Å; F760-V764 HydrophobicContact CE1-CG2 4.07Å; F760-V764 HydrophobicContact CE2-CG2 3.39Å; F760-V764 HydrophobicContact CG-CG2 4.37Å; F760-V764 HydrophobicContact CZ-CG2 3.52Å; F760-V764 WeakPolarHBondContact O-CG2 3.18Å; F760-V764 PolarHBondContact O-N 2.65Å; E761-V764 PolarHBondContact O-N 3.49Å; V764-F768 WeakPolarHBondContact O-CB 3.38Å; V764-F768 PolarHBondContact O-N 3.08Å; V764-L805 HydrophobicContact CG1-CB 4.28Å; V764-L805 HydrophobicContact CG2-CB 4.27Å; V764-E806 HydrophobicContact CB-CG 4.45Å; V764-E806 HydrophobicContact CG2-CG 3.58Å; V764-F809 HydrophobicContact CG1-CE2 4.37Å
765	L	95.1	Very high	90.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.3	-37.6	179.6	-173.2	58.5	0	0	0	113.2	Y657 C660 L661 A664 V685 V689 E761 P762 R763 F768 H769	Y657-L765 HydrophobicContact CD2-CD1 4.35Å; Y657-L765 HydrophobicContact CE2-CD1 4.29Å; C660-L765 VanDerWaalsContact C-CD2 3.48Å; C660-L765 HydrophobicContact CB-CD2 3.77Å; L661-L765 HydrophobicContact CB-CD2 4.19Å; L661-L765 HydrophobicContact CD1-CD2 4.07Å; L661-L765 HydrophobicContact CD1-CG 3.91Å; A664-L765 HydrophobicContact CB-CD2 4.1Å; V685-L765 HydrophobicContact CG1-CB 3.73Å; V685-L765 HydrophobicContact CG1-CD1 4.38Å; V685-L765 HydrophobicContact CG1-CD2 4.17Å; V685-L765 HydrophobicContact CG1-CG 4.31Å; V685-L765 HydrophobicContact CG2-CD2 4.16Å; V689-L765 HydrophobicContact CG2-CD1 3.72Å; E761-L765 PolarHBondContact O-N 3.31Å; E761-L765 VanDerWaalsContact O-N 3.11Å; P762-L765 PolarHBondContact O-N 3.32Å; R763-L765 VanDerWaalsContact C-N 3.3Å; R763-L765 PolarHBondContact O-N 2.88Å; L765-F768 WeakPolarHBondContact O-CB 3.47Å; L765-F768 PolarHBondContact O-N 2.92Å; L765-H769 PolarHBondContact O-N 3.37Å
766	V	94.6	Very high	90.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-76.2	-32.1	178.3	177.1	0	0	0	0	111.7	L661 L751 V754 M755 P762 R763 F768 H769 F770	L661-V766 HydrophobicContact CD1-CG2 4.01Å; L751-V766 HydrophobicContact CB-CG1 3.86Å; L751-V766 HydrophobicContact CD2-CG2 4.12Å; V754-V766 HydrophobicContact CB-CB 4.45Å; V754-V766 HydrophobicContact CB-CG2 3.8Å; V754-V766 HydrophobicContact CG1-CB 4.45Å; V754-V766 HydrophobicContact CG1-CG2 3.6Å; V754-V766 HydrophobicContact CG2-CG2 4.36Å; M755-V766 HydrophobicContact CG-CB 4.39Å; M755-V766 HydrophobicContact CG-CG1 3.8Å; M755-V766 HydrophobicContact SD-CB 3.7Å; M755-V766 HydrophobicContact SD-CG1 3.56Å; M755-V766 VanDerWaalsContact SD-CG1 3.56Å; P762-V766 PolarHBondContact O-N 3.4Å; R763-V766 PolarHBondContact O-N 3.35Å; V766-F768 VanDerWaalsContact C-N 3.31Å; V766-F768 PolarHBondContact O-N 2.86Å; V766-H769 PolarHBondContact O-N 3.47Å; V766-F770 HydrophobicContact CG1-CD2 4.05Å; V766-F770 HydrophobicContact CG1-CE2 3.62Å; V766-F770 HydrophobicContact CG1-CZ 3.97Å; V766-F770 WeakPolarHBondContact O-CD2 3.46Å; V766-F770 PolarHBondContact O-N 3.08Å
767	A	94.3	Very high	90.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60	-42.7	167.2	0	0	0	0	0	111.4	M755 R763 F770 A771 F809	M755-A767 HydrophobicContact CE-CB 4.02Å; M755-A767 HydrophobicContact SD-CB 4.32Å; M755-A767 PolarHBondContact SD-N 2.96Å; R763-A767 WeakPolarHBondContact O-CB 3.49Å; R763-A767 PolarHBondContact O-N 3.06Å; A767-F770 PolarHBondContact O-N 2.93Å; A767-A771 PolarHBondContact O-N 2.98Å; A767-F809 HydrophobicContact CB-CB 3.93Å; A767-F809 WeakPolarHBondContact O-CB 3.48Å
768	F	95.4	Very high	91	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-43	172.2	179	-81.4	0	0	0	111.9	Y657 F688 V689 H692 P694 F697 V764 L765 V766 F770 A771 V772 F809	Y657-F768 HydrophobicContact CD2-CE1 4.33Å; Y657-F768 AromaticContact CE2-CD1 3.86Å; Y657-F768 HydrophobicContact CE2-CD1 3.86Å; Y657-F768 AromaticContact CE2-CE1 3.81Å; Y657-F768 HydrophobicContact CE2-CE1 3.81Å; F688-F768 AromaticContact CE1-CE1 3.93Å; F688-F768 HydrophobicContact CE1-CE1 3.93Å; F688-F768 HydrophobicContact CE1-CZ 4.09Å; V689-F768 HydrophobicContact CG1-CB 4.22Å; V689-F768 HydrophobicContact CG1-CD2 3.86Å; V689-F768 HydrophobicContact CG1-CG 4.3Å; V689-F768 HydrophobicContact CG2-CB 4.36Å; V689-F768 HydrophobicContact CG2-CD2 4.45Å; V689-F768 HydrophobicContact CG2-CG 4.32Å; H692-F768 HydrophobicContact CB-CE2 4.41Å; H692-F768 HydrophobicContact CB-CZ 4.15Å; P694-F768 HydrophobicContact CB-CD2 4.45Å; P694-F768 HydrophobicContact CB-CE2 4.27Å; P694-F768 HydrophobicContact CG-CD2 3.74Å; P694-F768 HydrophobicContact CG-CE2 3.75Å; P694-F768 HydrophobicContact CG-CG 4.48Å; P694-F768 HydrophobicContact CG-CZ 4.49Å; F697-F768 HydrophobicContact CB-CZ 4.34Å; F697-F768 HydrophobicContact CD1-CE1 4.06Å; F697-F768 HydrophobicContact CD1-CZ 4.33Å; F697-F768 HydrophobicContact CG-CZ 4.45Å; V764-F768 WeakPolarHBondContact O-CB 3.38Å; V764-F768 PolarHBondContact O-N 3.08Å; L765-F768 WeakPolarHBondContact O-CB 3.47Å; L765-F768 PolarHBondContact O-N 2.92Å; V766-F768 VanDerWaalsContact C-N 3.31Å; V766-F768 PolarHBondContact O-N 2.86Å; F768-F770 PolarHBondContact O-N 3.19Å; F768-A771 PolarHBondContact O-N 2.73Å; F768-A771 VanDerWaalsContact O-N 3.15Å; F768-V772 HydrophobicContact CD1-CG2 3.87Å; F768-V772 HydrophobicContact CE1-CG2 3.53Å; F768-V772 HydrophobicContact CZ-CG2 4.15Å; F768-V772 WeakPolarHBondContact O-CG2 3.47Å; F768-V772 PolarHBondContact O-N 3.39Å; F768-F809 HydrophobicContact CB-CD2 4.24Å; F768-F809 HydrophobicContact CB-CG 4.31Å; F768-F809 HydrophobicContact CD2-CD1 4.22Å; F768-F809 AromaticContact CD2-CE1 3.88Å; F768-F809 HydrophobicContact CD2-CE1 3.88Å; F768-F809 HydrophobicContact CD2-CE2 4.47Å; F768-F809 HydrophobicContact CD2-CZ 4.02Å
769	H	95.1	Very high	91.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.8	-42.5	176.2	-178.6	81.3	0	0	0	112.1	Y657 L661 W747 L751 L765 V766 A771 V772 E773	Y657-H769 AromaticContact CZ-ND1 3.69Å; Y657-H769 WeakPolarHBondContact OH-CA 3.34Å; Y657-H769 PolarHBondContact OH-ND1 2.97Å; L661-H769 HydrophobicContact CD1-CB 4.19Å; W747-H769 AromaticContact CD1-NE2 3.8Å; W747-H769 AromaticContact NE1-CE1 3.55Å; W747-H769 AromaticContact NE1-NE2 3.17Å; W747-H769 PolarHBondContact NE1-NE2 3.31Å; W747-H769 VanDerWaalsContact NE1-NE2 3.17Å; L751-H769 WeakPolarHBondContact CD1-CD2 3.38Å; L751-H769 VanDerWaalsContact CD1-NE2 3.35Å; L751-H769 WeakPolarHBondContact CD1-NE2 3.21Å; L765-H769 PolarHBondContact O-N 3.37Å; V766-H769 PolarHBondContact O-N 3.47Å; H769-A771 VanDerWaalsContact C-N 3.32Å; H769-A771 PolarHBondContact O-N 3.06Å; H769-V772 WeakPolarHBondContact O-CB 3.45Å; H769-V772 PolarHBondContact O-N 2.7Å; H769-E773 IonicContact CE1-OE1 3.36Å; H769-E773 WeakPolarHBondContact O-CB 3.37Å; H769-E773 WeakPolarHBondContact O-CG 3.08Å; H769-E773 PolarHBondContact O-N 3.35Å
770	F	94.7	Very high	91.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-31.8	175.7	-69.9	-42.1	0	0	0	113	L748 L751 M755 V766 A767 F768 A774 F786 I791 L795	L748-F770 HydrophobicContact CB-CE1 4.18Å; L748-F770 HydrophobicContact CD2-CD1 4.05Å; L748-F770 HydrophobicContact CD2-CE1 3.92Å; L751-F770 HydrophobicContact CB-CE1 4.41Å; L751-F770 HydrophobicContact CB-CZ 4.05Å; M755-F770 HydrophobicContact CG-CD2 4.48Å; M755-F770 HydrophobicContact CG-CE2 3.77Å; M755-F770 HydrophobicContact SD-CD2 4.22Å; M755-F770 HydrophobicContact SD-CE2 4.07Å; V766-F770 HydrophobicContact CG1-CD2 4.05Å; V766-F770 HydrophobicContact CG1-CE2 3.62Å; V766-F770 HydrophobicContact CG1-CZ 3.97Å; V766-F770 WeakPolarHBondContact O-CD2 3.46Å; V766-F770 PolarHBondContact O-N 3.08Å; A767-F770 PolarHBondContact O-N 2.93Å; F768-F770 PolarHBondContact O-N 3.19Å; F770-A774 WeakPolarHBondContact O-CB 3.48Å; F770-A774 PolarHBondContact O-N 3.17Å; F770-F786 HydrophobicContact CB-CE1 4.25Å; F770-F786 HydrophobicContact CD1-CE1 4.03Å; F770-F786 HydrophobicContact CG-CE1 4.44Å; F770-I791 HydrophobicContact CD1-CG2 4.22Å; F770-I791 HydrophobicContact CD2-CG2 4.31Å; F770-I791 HydrophobicContact CE1-CD1 3.88Å; F770-I791 HydrophobicContact CE1-CG2 4.19Å; F770-I791 HydrophobicContact CE2-CG2 4.23Å; F770-I791 HydrophobicContact CG-CG2 4.3Å; F770-I791 HydrophobicContact CZ-CD1 4.21Å; F770-I791 HydrophobicContact CZ-CG2 4.19Å; F770-L795 HydrophobicContact CB-CD2 4.17Å; F770-L795 HydrophobicContact CD2-CD2 4.08Å; F770-L795 HydrophobicContact CG-CD2 4.48Å
771	A	94.5	Very high	90.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.4	-37.2	171.9	0	0	0	0	0	112.9	P694 A767 F768 H769 T775 M812 A813	P694-A771 HydrophobicContact CB-CB 3.64Å; P694-A771 HydrophobicContact CG-CB 3.9Å; A767-A771 PolarHBondContact O-N 2.98Å; F768-A771 PolarHBondContact O-N 2.73Å; F768-A771 VanDerWaalsContact O-N 3.15Å; H769-A771 VanDerWaalsContact C-N 3.32Å; H769-A771 PolarHBondContact O-N 3.06Å; A771-T775 PolarHBondContact O-N 2.96Å; A771-T775 VanDerWaalsContact O-N 3.13Å; A771-T775 PolarHBondContact O-OG1 2.96Å; A771-M812 HydrophobicContact CB-CB 4.45Å; A771-A813 HydrophobicContact CB-CB 4.25Å
772	V	93.7	Very high	90.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-51.2	171.5	166.6	0	0	0	0	110.5	P694 F697 A698 L702 F768 H769 T775 L776	P694-V772 HydrophobicContact CB-CG2 4Å; F697-V772 HydrophobicContact CD1-CG1 4.45Å; F697-V772 HydrophobicContact CD1-CG2 3.91Å; A698-V772 HydrophobicContact CB-CG1 4.06Å; L702-V772 HydrophobicContact CD1-CG1 3.43Å; L702-V772 VanDerWaalsContact CD1-CG1 3.43Å; F768-V772 HydrophobicContact CD1-CG2 3.87Å; F768-V772 HydrophobicContact CE1-CG2 3.53Å; F768-V772 HydrophobicContact CZ-CG2 4.15Å; F768-V772 WeakPolarHBondContact O-CG2 3.47Å; F768-V772 PolarHBondContact O-N 3.39Å; H769-V772 WeakPolarHBondContact O-CB 3.45Å; H769-V772 PolarHBondContact O-N 2.7Å; V772-T775 VanDerWaalsContact O-CB 3.27Å; V772-T775 WeakPolarHBondContact O-CB 3.47Å; V772-T775 PolarHBondContact O-N 3.49Å; V772-T775 VanDerWaalsContact O-N 3.15Å; V772-L776 HydrophobicContact CG1-CD1 4.36Å; V772-L776 PolarHBondContact O-N 2.76Å; V772-L776 VanDerWaalsContact O-N 3.07Å
773	E	91.3	Very high	89.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-38.7	-179.7	-74.7	-72.4	164.9	0	0	112.1	Y740 G742 G743 L748 H769 T775 L776 K777 F786	Y740-E773 WeakPolarHBondContact CE1-OE1 3.26Å; Y740-E773 PolarHBondContact OH-OE1 3.05Å; G742-E773 WeakPolarHBondContact CA-OE1 3.46Å; G742-E773 WeakPolarHBondContact CA-OE2 3.35Å; G743-E773 PolarHBondContact N-OE1 3.34Å; G743-E773 PolarHBondContact N-OE2 3.08Å; L748-E773 HydrophobicContact CD2-CB 4.12Å; L748-E773 HydrophobicContact CD2-CG 3.89Å; H769-E773 IonicContact CE1-OE1 3.36Å; H769-E773 WeakPolarHBondContact O-CB 3.37Å; H769-E773 WeakPolarHBondContact O-CG 3.08Å; H769-E773 PolarHBondContact O-N 3.35Å; E773-T775 PolarHBondContact O-N 3.4Å; E773-L776 PolarHBondContact O-N 3.1Å; E773-L776 VanDerWaalsContact O-N 3.11Å; E773-K777 WeakPolarHBondContact O-CB 3.43Å; E773-K777 VanDerWaalsContact O-CG 3.27Å; E773-K777 WeakPolarHBondContact O-CG 3.44Å; E773-K777 PolarHBondContact O-N 3.08Å; E773-K777 VanDerWaalsContact OE2-CE 3.29Å; E773-K777 WeakPolarHBondContact OE2-CE 3.31Å; E773-F786 HydrophobicContact CB-CE2 4.38Å; E773-F786 HydrophobicContact CB-CZ 3.89Å
774	A	91.7	Very high	89.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-38.8	171.3	0	0	0	0	0	111.4	F770 S778 F786 A813 I816 L817	F770-A774 WeakPolarHBondContact O-CB 3.48Å; F770-A774 PolarHBondContact O-N 3.17Å; A774-S778 VanDerWaalsContact O-CB 3.25Å; A774-S778 WeakPolarHBondContact O-CB 3.41Å; A774-S778 PolarHBondContact O-N 3.27Å; A774-S778 PolarHBondContact O-OG 3.35Å; A774-F786 HydrophobicContact CB-CE2 4.35Å; A774-F786 HydrophobicContact CB-CZ 4.1Å; A774-A813 HydrophobicContact CB-CB 4.27Å; A774-I816 VanDerWaalsContact C-CG2 3.46Å; A774-I816 HydrophobicContact CB-CB 4.17Å; A774-I816 HydrophobicContact CB-CG2 3.94Å; A774-I816 WeakPolarHBondContact O-CG2 3.43Å; A774-L817 HydrophobicContact CB-CD2 4.25Å; A774-L817 HydrophobicContact CB-CG 4.09Å
775	T	91	Very high	88.9	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-47.4	174.3	-49.7	0	0	0	0	111.4	I695 A698 R699 A771 V772 E773 S778 D779	I695-T775 HydrophobicContact CB-CG2 4.42Å; I695-T775 HydrophobicContact CG1-CG2 4.35Å; I695-T775 HydrophobicContact CG2-CG2 4.17Å; A698-T775 HydrophobicContact CB-CG2 3.94Å; R699-T775 HydrophobicContact CG-CG2 3.97Å; A771-T775 PolarHBondContact O-N 2.96Å; A771-T775 VanDerWaalsContact O-N 3.13Å; A771-T775 PolarHBondContact O-OG1 2.96Å; V772-T775 VanDerWaalsContact O-CB 3.27Å; V772-T775 WeakPolarHBondContact O-CB 3.47Å; V772-T775 PolarHBondContact O-N 3.49Å; V772-T775 VanDerWaalsContact O-N 3.15Å; E773-T775 PolarHBondContact O-N 3.4Å; T775-S778 PolarHBondContact O-OG 3.15Å; T775-S778 VanDerWaalsContact O-OG 3.04Å; T775-D779 WeakPolarHBondContact O-CB 3.39Å; T775-D779 PolarHBondContact O-N 2.82Å; T775-D779 VanDerWaalsContact O-N 3.09Å
776	L	87.7	Confident	88.5	Confident	6 Å²	6	30.1 Å²	30.1	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-65.8	-46.5	-180	-63.9	173.9	0	0	0	112.2	A698 V703 Y740 V772 E773 D779 M780	A698-L776 HydrophobicContact CB-CD2 4.12Å; A698-L776 HydrophobicContact CB-CG 4.22Å; V703-L776 HydrophobicContact CG2-CD2 3.65Å; Y740-L776 HydrophobicContact CD1-CD1 3.7Å; Y740-L776 HydrophobicContact CE1-CD1 3.65Å; V772-L776 HydrophobicContact CG1-CD1 4.36Å; V772-L776 PolarHBondContact O-N 2.76Å; V772-L776 VanDerWaalsContact O-N 3.07Å; E773-L776 PolarHBondContact O-N 3.1Å; E773-L776 VanDerWaalsContact O-N 3.11Å; L776-D779 PolarHBondContact O-N 3.15Å; L776-M780 VanDerWaalsContact O-CB 3.31Å; L776-M780 WeakPolarHBondContact O-CB 3.45Å; L776-M780 VanDerWaalsContact O-CG 3.27Å; L776-M780 WeakPolarHBondContact O-CG 3.43Å; L776-M780 PolarHBondContact O-N 3.13Å
777	K	87.2	Confident	88.2	Confident	12 Å²	12	34.1 Å²	34.1	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-70.8	-32.7	-177.8	-58.5	-58.1	176.4	179.4	0	112.5	T741 G742 G743 E773 M780 K781 C782 S783 F786	T741-K777 PolarHBondContact O-NZ 2.82Å; G742-K777 PolarHBondContact O-NZ 3.23Å; G742-K777 VanDerWaalsContact O-NZ 3.13Å; G743-K777 WeakPolarHBondContact O-CE 3.26Å; G743-K777 PolarHBondContact O-NZ 3.42Å; E773-K777 WeakPolarHBondContact O-CB 3.43Å; E773-K777 VanDerWaalsContact O-CG 3.27Å; E773-K777 WeakPolarHBondContact O-CG 3.44Å; E773-K777 PolarHBondContact O-N 3.08Å; E773-K777 VanDerWaalsContact OE2-CE 3.29Å; E773-K777 WeakPolarHBondContact OE2-CE 3.31Å; K777-M780 CarbonylContact O-C 3.56Å; K777-K781 CarbonylContact O-C 3.54Å; K777-K781 PolarHBondContact O-N 3.07Å; K777-C782 WeakPolarHBondContact CD-SG 3.24Å; K777-C782 PolarHBondContact O-N 2.95Å; K777-S783 PolarHBondContact O-N 3.38Å; K777-F786 HydrophobicContact CB-CE2 4.25Å; K777-F786 HydrophobicContact CG-CE2 3.95Å
778	S	86.7	Confident	87.6	Confident	30 Å²	30	39.3 Å²	39.3	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-45.3	172.3	56.8	0	0	0	0	112	A774 T775 M780 K781 I816	A774-S778 VanDerWaalsContact O-CB 3.25Å; A774-S778 WeakPolarHBondContact O-CB 3.41Å; A774-S778 PolarHBondContact O-N 3.27Å; A774-S778 PolarHBondContact O-OG 3.35Å; T775-S778 PolarHBondContact O-OG 3.15Å; T775-S778 VanDerWaalsContact O-OG 3.04Å; S778-M780 PolarHBondContact O-N 3.29Å; S778-K781 PolarHBondContact O-N 3.24Å; S778-I816 VanDerWaalsContact OG-CG2 3.31Å; S778-I816 WeakPolarHBondContact OG-CG2 3.28Å
779	D	84	Confident	86.8	Confident	88 Å²	88	39.5 Å²	39.5	47%	0.471	20%	0.195	S	C	.	.	H	α-helix	trans	-60.2	-33.3	173.6	-77.7	-14.4	0	0	0	112.3	R699 T775 L776	R699-D779 IonicContact CZ-OD1 2.74Å; R699-D779 IonicContact CZ-OD2 3.21Å; R699-D779 IonicContact NE-OD1 3.61Å; R699-D779 IonicContact NE-OD2 2.74Å; R699-D779 PolarHBondContact NE-OD2 3.34Å; R699-D779 IonicContact NH2-OD1 3.51Å; R699-D779 PolarHBondContact NH2-OD1 3.07Å; R699-D779 IonicContact NH2-OD2 3.21Å; R699-D779 PolarHBondContact NH2-OD2 3.37Å; T775-D779 WeakPolarHBondContact O-CB 3.39Å; T775-D779 PolarHBondContact O-N 2.82Å; T775-D779 VanDerWaalsContact O-N 3.09Å; L776-D779 PolarHBondContact O-N 3.15Å
780	M	80.9	Confident	86.2	Confident	91 Å²	91	45.4 Å²	45.4	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.5	175	-69.9	177.8	62.8	0	0	114.6	T741 L776 K777 S778 C782	T741-M780 HydrophobicContact CG2-CE 4.15Å; L776-M780 VanDerWaalsContact O-CB 3.31Å; L776-M780 WeakPolarHBondContact O-CB 3.45Å; L776-M780 VanDerWaalsContact O-CG 3.27Å; L776-M780 WeakPolarHBondContact O-CG 3.43Å; L776-M780 PolarHBondContact O-N 3.13Å; K777-M780 CarbonylContact O-C 3.56Å; S778-M780 PolarHBondContact O-N 3.29Å; M780-C782 VanDerWaalsContact CB-SG 3.56Å; M780-C782 PolarHBondContact O-N 3.34Å
781	K	81.2	Confident	85.8	Confident	198 Å²	198	45.4 Å²	45.4	86%	0.861	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	27.8	-175.3	-54.7	-175.4	178.8	-176.7	0	115.4	K777 S778	K777-K781 CarbonylContact O-C 3.54Å; K777-K781 PolarHBondContact O-N 3.07Å; S778-K781 PolarHBondContact O-N 3.24Å
782	C	80.7	Confident	85.5	Confident	39 Å²	39	45.8 Å²	45.8	26%	0.264	23%	0.228	S	C	.	.			trans	-115.7	32.6	178.6	58.8	0	0	0	0	113.1	K777 M780 Q784 V785	K777-C782 WeakPolarHBondContact CD-SG 3.24Å; K777-C782 PolarHBondContact O-N 2.95Å; M780-C782 VanDerWaalsContact CB-SG 3.56Å; M780-C782 PolarHBondContact O-N 3.34Å; C782-Q784 PolarHBondContact O-N 3.04Å; C782-V785 WeakPolarHBondContact O-CG2 3.49Å; C782-V785 PolarHBondContact O-N 2.64Å
783	S	82.2	Confident	84.9	Confident	28 Å²	28	49.8 Å²	49.8	20%	0.196	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-53.6	-23.1	176.6	-52.2	0	0	0	0	114.6	K777 V785 F786	K777-S783 PolarHBondContact O-N 3.38Å; S783-V785 PolarHBondContact O-N 2.78Å; S783-F786 PolarHBondContact O-N 2.95Å
784	Q	81.6	Confident	84.7	Confident	115 Å²	115	51 Å²	51	54%	0.537	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-49.4	-31.9	178.6	-172.8	60.1	31	0	0	113.7	C782 F786 Y787 E788	C782-Q784 PolarHBondContact O-N 3.04Å; Q784-F786 PolarHBondContact O-N 2.84Å; Q784-F786 VanDerWaalsContact O-N 3.16Å; Q784-Y787 WeakPolarHBondContact O-CB 3.35Å; Q784-Y787 PolarHBondContact O-N 3.17Å; Q784-E788 HydrophobicContact CG-CG 4.2Å; Q784-E788 WeakPolarHBondContact CG-OE1 3.38Å; Q784-E788 PolarHBondContact O-N 3.17Å
785	V	83.5	Confident	84.5	Confident	24 Å²	24	51 Å²	51	15%	0.145	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-56.4	-31	179.1	179.4	0	0	0	0	113	A745 L748 C782 S783 S789	A745-V785 HydrophobicContact CB-CG1 3.91Å; L748-V785 HydrophobicContact CD1-CG1 3.9Å; C782-V785 WeakPolarHBondContact O-CG2 3.49Å; C782-V785 PolarHBondContact O-N 2.64Å; S783-V785 PolarHBondContact O-N 2.78Å; V785-S789 WeakPolarHBondContact O-CB 3.44Å; V785-S789 PolarHBondContact O-OG 2.85Å
786	F	87	Confident	84.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-71.6	-29.3	176.3	-81.7	-94.9	0	0	0	113.1	L748 F770 E773 A774 K777 S783 Q784 I791 V792 L795 L817	L748-F786 HydrophobicContact CD1-CE2 4.34Å; L748-F786 HydrophobicContact CD1-CZ 4.38Å; F770-F786 HydrophobicContact CB-CE1 4.25Å; F770-F786 HydrophobicContact CD1-CE1 4.03Å; F770-F786 HydrophobicContact CG-CE1 4.44Å; E773-F786 HydrophobicContact CB-CE2 4.38Å; E773-F786 HydrophobicContact CB-CZ 3.89Å; A774-F786 HydrophobicContact CB-CE2 4.35Å; A774-F786 HydrophobicContact CB-CZ 4.1Å; K777-F786 HydrophobicContact CB-CE2 4.25Å; K777-F786 HydrophobicContact CG-CE2 3.95Å; S783-F786 PolarHBondContact O-N 2.95Å; Q784-F786 PolarHBondContact O-N 2.84Å; Q784-F786 VanDerWaalsContact O-N 3.16Å; F786-I791 HydrophobicContact CD1-CB 4.02Å; F786-I791 HydrophobicContact CD1-CG2 3.68Å; F786-I791 HydrophobicContact CE1-CG2 4.03Å; F786-I791 PolarHBondContact O-N 3.36Å; F786-I791 VanDerWaalsContact O-N 3.13Å; F786-V792 HydrophobicContact CB-CG2 4.07Å; F786-L795 HydrophobicContact CD1-CD1 4.43Å; F786-L817 HydrophobicContact CB-CD1 3.99Å; F786-L817 HydrophobicContact CB-CD2 4.29Å; F786-L817 HydrophobicContact CD1-CD1 3.9Å; F786-L817 HydrophobicContact CD2-CD1 4.34Å; F786-L817 HydrophobicContact CD2-CD2 3.75Å; F786-L817 HydrophobicContact CE1-CD1 4.48Å; F786-L817 HydrophobicContact CE2-CD2 4.26Å; F786-L817 HydrophobicContact CG-CD1 3.82Å; F786-L817 HydrophobicContact CG-CD2 4.02Å
787	Y	86.8	Confident	83.8	Confident	84 Å²	84	57.3 Å²	57.3	33%	0.329	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-41	177.5	-60	-94.6	0	0	0	111.3	Q784 S789 D790 V792 E819	Q784-Y787 WeakPolarHBondContact O-CB 3.35Å; Q784-Y787 PolarHBondContact O-N 3.17Å; Y787-S789 PolarHBondContact O-N 2.91Å; Y787-D790 PolarHBondContact O-N 3.42Å; Y787-V792 HydrophobicContact CD1-CG2 3.95Å; Y787-V792 HydrophobicContact CD2-CG2 4.43Å; Y787-V792 HydrophobicContact CE1-CG1 4.5Å; Y787-V792 HydrophobicContact CE1-CG2 3.91Å; Y787-V792 HydrophobicContact CE2-CG2 4.4Å; Y787-V792 HydrophobicContact CG-CG2 4.22Å; Y787-E819 WeakPolarHBondContact CE1-OE1 3.38Å; Y787-E819 PolarHBondContact OH-OE1 2.91Å
788	E	81.7	Confident	83.6	Confident	110 Å²	110	57.4 Å²	57.4	51%	0.514	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-2.6	171.9	-67.9	172.8	-175.9	0	0	114.3	K749 Q784	K749-E788 WeakPolarHBondContact CE-O 3.29Å; K749-E788 PolarHBondContact NZ-O 3.22Å; Q784-E788 HydrophobicContact CG-CG 4.2Å; Q784-E788 WeakPolarHBondContact CG-OE1 3.38Å; Q784-E788 PolarHBondContact O-N 3.17Å
789	S	78.8	Confident	83.3	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.028	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	2.5	-176.4	-53.3	0	0	0	0	114.1	K749 V785 Y787 I791	K749-S789 VanDerWaalsContact CE-CA 3.41Å; K749-S789 WeakPolarHBondContact CE-OG 3.2Å; V785-S789 WeakPolarHBondContact O-CB 3.44Å; V785-S789 PolarHBondContact O-OG 2.85Å; Y787-S789 PolarHBondContact O-N 2.91Å; S789-I791 PolarHBondContact O-N 3.31Å
790	D	82.6	Confident	82.7	Confident	124 Å²	124	53.9 Å²	53.9	66%	0.663	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	13.6	-174.9	-58.7	-50.6	0	0	0	114.8	Y787 V792 E793 I794	Y787-D790 PolarHBondContact O-N 3.42Å; D790-V792 VanDerWaalsContact C-N 3.3Å; D790-V792 PolarHBondContact O-N 3.47Å; D790-E793 PolarHBondContact O-N 2.95Å; D790-I794 PolarHBondContact O-N 2.82Å
791	I	87.4	Confident	82.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-31.6	-174.3	-65.3	168.6	0	0	0	110.8	L748 I752 F770 F786 S789 E793 I794 L795	L748-I791 HydrophobicContact CB-CD1 3.5Å; I752-I791 HydrophobicContact CD1-CG1 4.01Å; I752-I791 HydrophobicContact CG1-CG1 4.26Å; F770-I791 HydrophobicContact CD1-CG2 4.22Å; F770-I791 HydrophobicContact CD2-CG2 4.31Å; F770-I791 HydrophobicContact CE1-CD1 3.88Å; F770-I791 HydrophobicContact CE1-CG2 4.19Å; F770-I791 HydrophobicContact CE2-CG2 4.23Å; F770-I791 HydrophobicContact CG-CG2 4.3Å; F770-I791 HydrophobicContact CZ-CD1 4.21Å; F770-I791 HydrophobicContact CZ-CG2 4.19Å; F786-I791 HydrophobicContact CD1-CB 4.02Å; F786-I791 HydrophobicContact CD1-CG2 3.68Å; F786-I791 HydrophobicContact CE1-CG2 4.03Å; F786-I791 PolarHBondContact O-N 3.36Å; F786-I791 VanDerWaalsContact O-N 3.13Å; S789-I791 PolarHBondContact O-N 3.31Å; I791-E793 VanDerWaalsContact C-N 3.28Å; I791-E793 PolarHBondContact O-N 3.11Å; I791-I794 PolarHBondContact O-N 3.23Å; I791-L795 HydrophobicContact CG2-CD1 3.81Å; I791-L795 HydrophobicContact CG2-CG 3.92Å; I791-L795 WeakPolarHBondContact O-CB 3.39Å; I791-L795 VanDerWaalsContact O-CG 3.26Å; I791-L795 WeakPolarHBondContact O-CG 3.29Å; I791-L795 PolarHBondContact O-N 3.46Å
792	V	86.8	Confident	81.3	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-55	-43.6	175.7	178.2	0	0	0	0	111.5	F786 Y787 D790 L795 R796 L814 L817 E819	F786-V792 HydrophobicContact CB-CG2 4.07Å; Y787-V792 HydrophobicContact CD1-CG2 3.95Å; Y787-V792 HydrophobicContact CD2-CG2 4.43Å; Y787-V792 HydrophobicContact CE1-CG1 4.5Å; Y787-V792 HydrophobicContact CE1-CG2 3.91Å; Y787-V792 HydrophobicContact CE2-CG2 4.4Å; Y787-V792 HydrophobicContact CG-CG2 4.22Å; D790-V792 VanDerWaalsContact C-N 3.3Å; D790-V792 PolarHBondContact O-N 3.47Å; V792-L795 PolarHBondContact O-N 3.39Å; V792-R796 WeakPolarHBondContact O-CG 3.13Å; V792-R796 PolarHBondContact O-N 3.13Å; V792-L814 HydrophobicContact CG1-CD2 3.9Å; V792-L817 HydrophobicContact CG2-CD1 4.32Å; V792-E819 HydrophobicContact CG1-CG 3.87Å
793	E	83	Confident	81.1	Confident	84 Å²	84	46.4 Å²	46.4	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-74.6	-33.6	-179.2	-169.9	51.9	-137.9	0	0	112.2	D790 I791 R796 N797	D790-E793 PolarHBondContact O-N 2.95Å; I791-E793 VanDerWaalsContact C-N 3.28Å; I791-E793 PolarHBondContact O-N 3.11Å; E793-R796 PolarHBondContact O-N 3.34Å; E793-R796 VanDerWaalsContact OE2-CD 3.27Å; E793-R796 WeakPolarHBondContact OE2-CD 3.48Å; E793-R796 IonicContact OE2-CZ 3.46Å; E793-R796 IonicContact OE2-NE 2.62Å; E793-R796 IonicContact OE2-NH1 3.69Å; E793-R796 PolarHBondContact OE2-NH1 3.09Å; E793-N797 PolarHBondContact O-N 2.89Å; E793-N797 VanDerWaalsContact O-N 3.11Å; E793-N797 PolarHBondContact O-ND2 3.1Å; E793-N797 PolarHBondContact OE1-ND2 2.85Å
794	I	85.7	Confident	81	Confident	26 Å²	26	49.5 Å²	49.5	13%	0.133	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-45.2	170.4	-66.6	159.1	0	0	0	110.2	I752 F756 D790 I791 N797 V798	I752-I794 HydrophobicContact CB-CD1 4.4Å; I752-I794 HydrophobicContact CD1-CD1 3.66Å; I752-I794 HydrophobicContact CG1-CD1 3.88Å; I752-I794 HydrophobicContact CG2-CD1 3.63Å; F756-I794 HydrophobicContact CE2-CG2 4.27Å; F756-I794 HydrophobicContact CZ-CG1 4.44Å; F756-I794 HydrophobicContact CZ-CG2 3.95Å; D790-I794 PolarHBondContact O-N 2.82Å; I791-I794 PolarHBondContact O-N 3.23Å; I794-N797 PolarHBondContact O-N 3.1Å; I794-V798 HydrophobicContact CG2-CG2 4.42Å; I794-V798 VanDerWaalsContact O-CG2 3.32Å; I794-V798 WeakPolarHBondContact O-CG2 3.33Å; I794-V798 PolarHBondContact O-N 3.33Å
795	L	88.3	Confident	81.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-43.6	177.6	-68.9	170.6	0	0	0	111.7	F770 F786 I791 V792 N797 V798 V799 A810 A813 L814	F770-L795 HydrophobicContact CB-CD2 4.17Å; F770-L795 HydrophobicContact CD2-CD2 4.08Å; F770-L795 HydrophobicContact CG-CD2 4.48Å; F786-L795 HydrophobicContact CD1-CD1 4.43Å; I791-L795 HydrophobicContact CG2-CD1 3.81Å; I791-L795 HydrophobicContact CG2-CG 3.92Å; I791-L795 WeakPolarHBondContact O-CB 3.39Å; I791-L795 VanDerWaalsContact O-CG 3.26Å; I791-L795 WeakPolarHBondContact O-CG 3.29Å; I791-L795 PolarHBondContact O-N 3.46Å; V792-L795 PolarHBondContact O-N 3.39Å; L795-N797 VanDerWaalsContact C-N 3.25Å; L795-N797 PolarHBondContact O-N 3.15Å; L795-V798 CarbonylContact O-C 3.57Å; L795-V798 PolarHBondContact O-N 3.15Å; L795-V798 VanDerWaalsContact O-N 3.1Å; L795-V799 WeakPolarHBondContact O-CG2 3.37Å; L795-V799 PolarHBondContact O-N 2.99Å; L795-A810 HydrophobicContact CB-CB 4.48Å; L795-A810 HydrophobicContact CD2-CB 3.9Å; L795-A813 HydrophobicContact CD1-CB 3.85Å; L795-A813 HydrophobicContact CD2-CB 4.31Å; L795-L814 HydrophobicContact CB-CD1 4.42Å; L795-L814 HydrophobicContact CB-CD2 3.85Å; L795-L814 HydrophobicContact CB-CG 3.97Å; L795-L814 HydrophobicContact CD1-CD2 4.35Å
796	R	83.7	Confident	81.4	Confident	88 Å²	88	44.9 Å²	44.9	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-56.7	-39.6	173.9	-73.1	170.4	-174.3	162.2	-2.6	112.1	V792 E793 C800 L814 E819 P822	V792-R796 WeakPolarHBondContact O-CG 3.13Å; V792-R796 PolarHBondContact O-N 3.13Å; E793-R796 PolarHBondContact O-N 3.34Å; E793-R796 VanDerWaalsContact OE2-CD 3.27Å; E793-R796 WeakPolarHBondContact OE2-CD 3.48Å; E793-R796 IonicContact OE2-CZ 3.46Å; E793-R796 IonicContact OE2-NE 2.62Å; E793-R796 IonicContact OE2-NH1 3.69Å; E793-R796 PolarHBondContact OE2-NH1 3.09Å; R796-C800 PolarHBondContact O-SG 3.32Å; R796-C800 VanDerWaalsContact O-SG 3.37Å; R796-L814 HydrophobicContact CB-CD1 4.43Å; R796-L814 HydrophobicContact CG-CD1 3.78Å; R796-L814 HydrophobicContact CG-CD2 4.22Å; R796-E819 IonicContact CZ-OE2 2.7Å; R796-E819 IonicContact NE-OE2 2.86Å; R796-E819 IonicContact NH2-OE2 3.84Å; R796-E819 PolarHBondContact NH2-OE2 3.3Å; R796-P822 HydrophobicContact CB-CG 4.15Å; R796-P822 HydrophobicContact CG-CG 4.38Å; R796-P822 WeakPolarHBondContact O-CG 3.24Å
797	N	79.8	Confident	81.4	Confident	52 Å²	52	44.9 Å²	44.9	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-69.9	-38.5	175.1	-82.2	-80.6	0	0	0	112.9	E793 I794 L795 C800 R844	E793-N797 PolarHBondContact O-N 2.89Å; E793-N797 VanDerWaalsContact O-N 3.11Å; E793-N797 PolarHBondContact O-ND2 3.1Å; E793-N797 PolarHBondContact OE1-ND2 2.85Å; I794-N797 PolarHBondContact O-N 3.1Å; L795-N797 VanDerWaalsContact C-N 3.25Å; L795-N797 PolarHBondContact O-N 3.15Å; N797-C800 WeakPolarHBondContact O-CB 3.45Å; N797-C800 PolarHBondContact O-N 3.14Å; N797-C800 VanDerWaalsContact O-N 3.17Å; N797-R844 PolarHBondContact OD1-NH1 3.26Å
798	V	82.6	Confident	81.5	Confident	14 Å²	14	45.6 Å²	45.6	9%	0.085	24%	0.238	C	C	.	.	H	α-helix	trans	-72.6	-28.9	177.4	174.8	0	0	0	0	112.5	M755 I794 L795 C800 S801 E806 A810	M755-V798 HydrophobicContact CE-CB 4.26Å; M755-V798 HydrophobicContact CE-CG1 3.86Å; M755-V798 HydrophobicContact CE-CG2 3.75Å; I794-V798 HydrophobicContact CG2-CG2 4.42Å; I794-V798 VanDerWaalsContact O-CG2 3.32Å; I794-V798 WeakPolarHBondContact O-CG2 3.33Å; I794-V798 PolarHBondContact O-N 3.33Å; L795-V798 CarbonylContact O-C 3.57Å; L795-V798 PolarHBondContact O-N 3.15Å; L795-V798 VanDerWaalsContact O-N 3.1Å; V798-C800 PolarHBondContact O-N 2.9Å; V798-C800 VanDerWaalsContact O-N 3.17Å; V798-S801 VanDerWaalsContact O-CB 3.27Å; V798-S801 WeakPolarHBondContact O-CB 3.48Å; V798-S801 PolarHBondContact O-N 2.61Å; V798-S801 PolarHBondContact O-OG 3.26Å; V798-E806 HydrophobicContact CG1-CB 4.01Å; V798-A810 HydrophobicContact CB-CB 3.99Å; V798-A810 HydrophobicContact CG1-CB 3.75Å
799	V	81.7	Confident	82	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-30.5	168.3	169.9	0	0	0	0	111.6	L795 S801 S807 A810 A811 L814 I821 P822	L795-V799 WeakPolarHBondContact O-CG2 3.37Å; L795-V799 PolarHBondContact O-N 2.99Å; V799-S801 VanDerWaalsContact C-N 3.31Å; V799-S801 PolarHBondContact O-N 2.88Å; V799-S807 PolarHBondContact O-OG 2.73Å; V799-A810 HydrophobicContact CG2-CB 3.79Å; V799-A811 HydrophobicContact CG1-CB 4.43Å; V799-A811 HydrophobicContact CG2-CB 3.81Å; V799-A811 VanDerWaalsContact CG2-N 3.29Å; V799-L814 HydrophobicContact CG2-CD1 3.89Å; V799-I821 HydrophobicContact CG1-CG2 3.92Å; V799-P822 HydrophobicContact CB-CG 3.96Å; V799-P822 HydrophobicContact CG1-CG 3.86Å
800	C	70.7	Confident	82.7	Confident	41 Å²	41	40.6 Å²	40.6	28%	0.277	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	9.6	177.9	-54.4	0	0	0	0	114	R796 N797 V798 R843	R796-C800 PolarHBondContact O-SG 3.32Å; R796-C800 VanDerWaalsContact O-SG 3.37Å; N797-C800 WeakPolarHBondContact O-CB 3.45Å; N797-C800 PolarHBondContact O-N 3.14Å; N797-C800 VanDerWaalsContact O-N 3.17Å; V798-C800 PolarHBondContact O-N 2.9Å; V798-C800 VanDerWaalsContact O-N 3.17Å; C800-R843 PolarHBondContact SG-NH1 3.08Å
801	S	69.8	Low	82.9	Confident	34 Å²	34	35.6 Å²	35.6	24%	0.238	19%	0.189	C	C	.	.	S	Bend	trans	-75.2	157.5	177.2	77.2	0	0	0	0	112.7	V798 V799 T803	V798-S801 VanDerWaalsContact O-CB 3.27Å; V798-S801 WeakPolarHBondContact O-CB 3.48Å; V798-S801 PolarHBondContact O-N 2.61Å; V798-S801 PolarHBondContact O-OG 3.26Å; V799-S801 VanDerWaalsContact C-N 3.31Å; V799-S801 PolarHBondContact O-N 2.88Å; S801-T803 VanDerWaalsContact CB-OG1 3.22Å; S801-T803 WeakPolarHBondContact CB-OG1 3.28Å; S801-T803 PolarHBondContact O-N 2.98Å; S801-T803 PolarHBondContact OG-N 3.06Å; S801-T803 PolarHBondContact OG-O 3.22Å; S801-T803 PolarHBondContact OG-OG1 3.05Å
802	S	62.8	Low	83.2	Confident	114 Å²	114	36.5 Å²	36.5	80%	0.797	19%	0.194	S	C	*	.	S	Bend	trans	-71	-18.7	170.6	52.1	0	0	0	0	113.1	F804	S802-F804 PolarHBondContact O-N 2.81Å
803	T	75.7	Confident	83.5	Confident	22 Å²	22	36.2 Å²	36.2	14%	0.135	19%	0.192	C	C	.	.			trans	-82.1	88.3	-175.3	37	0	0	0	0	111.2	F760 S801 L805 E806 S807	F760-T803 HydrophobicContact CD2-CG2 3.9Å; F760-T803 HydrophobicContact CE2-CG2 3.68Å; S801-T803 VanDerWaalsContact CB-OG1 3.22Å; S801-T803 WeakPolarHBondContact CB-OG1 3.28Å; S801-T803 PolarHBondContact O-N 2.98Å; S801-T803 PolarHBondContact OG-N 3.06Å; S801-T803 PolarHBondContact OG-O 3.22Å; S801-T803 PolarHBondContact OG-OG1 3.05Å; T803-L805 PolarHBondContact O-N 2.99Å; T803-E806 VanDerWaalsContact CB-CD 3.42Å; T803-E806 WeakPolarHBondContact CB-OE2 3.28Å; T803-E806 PolarHBondContact O-N 3.49Å; T803-E806 PolarHBondContact OG1-OE2 2.81Å; T803-S807 PolarHBondContact O-N 3.01Å
804	F	80.7	Confident	83.9	Confident	94 Å²	94	32.2 Å²	32.2	41%	0.412	17%	0.173	S	C	.	.	H	α-helix	trans	-40.7	-43.5	-175.3	175.1	-96.9	0	0	0	115.6	S802 K808	S802-F804 PolarHBondContact O-N 2.81Å; F804-K808 VanDerWaalsContact O-CB 3.24Å; F804-K808 WeakPolarHBondContact O-CB 3.37Å; F804-K808 PolarHBondContact O-N 2.91Å
805	L	86	Confident	84.2	Confident	32 Å²	32	37.3 Å²	37.3	17%	0.168	20%	0.196	C	C	.	.	H	α-helix	trans	-73	-44	-179.6	-72	172.7	0	0	0	113.1	M686 V764 T803 S807 K808 F809	M686-L805 HydrophobicContact CE-CD1 3.56Å; V764-L805 HydrophobicContact CG1-CB 4.28Å; V764-L805 HydrophobicContact CG2-CB 4.27Å; T803-L805 PolarHBondContact O-N 2.99Å; L805-S807 VanDerWaalsContact C-N 3.35Å; L805-K808 PolarHBondContact O-N 3.46Å; L805-F809 HydrophobicContact CB-CE2 4.17Å; L805-F809 HydrophobicContact CD2-CE2 4.17Å; L805-F809 HydrophobicContact CD2-CZ 4.43Å; L805-F809 WeakPolarHBondContact O-CD2 3.37Å; L805-F809 PolarHBondContact O-N 3.34Å
806	E	87.9	Confident	84.3	Confident	10 Å²	10	38.9 Å²	38.9	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-49.3	174.8	-59.3	172	-167.1	0	0	109.8	F760 R763 V764 V798 T803 K808 F809 A810	F760-E806 VanDerWaalsContact CD2-OE1 3.23Å; F760-E806 WeakPolarHBondContact CD2-OE1 3.45Å; F760-E806 HydrophobicContact CE2-CG 4.37Å; R763-E806 HydrophobicContact CB-CG 4.23Å; R763-E806 WeakPolarHBondContact CB-OE1 3.42Å; R763-E806 IonicContact CZ-OE1 3.8Å; R763-E806 IonicContact NE-OE1 3.55Å; R763-E806 PolarHBondContact NE-OE1 3.04Å; R763-E806 IonicContact NE-OE2 2.8Å; R763-E806 IonicContact NH2-OE1 2.75Å; R763-E806 PolarHBondContact NH2-OE1 3.17Å; V764-E806 HydrophobicContact CB-CG 4.45Å; V764-E806 HydrophobicContact CG2-CG 3.58Å; V798-E806 HydrophobicContact CG1-CB 4.01Å; T803-E806 VanDerWaalsContact CB-CD 3.42Å; T803-E806 WeakPolarHBondContact CB-OE2 3.28Å; T803-E806 PolarHBondContact O-N 3.49Å; T803-E806 PolarHBondContact OG1-OE2 2.81Å; E806-K808 PolarHBondContact O-N 3.04Å; E806-F809 PolarHBondContact O-N 3.44Å; E806-A810 WeakPolarHBondContact O-CB 3.43Å; E806-A810 PolarHBondContact O-N 3.4Å
807	S	86.1	Confident	84.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-41.9	175.8	171.8	0	0	0	0	112.5	V799 T803 L805 A811 R824	V799-S807 PolarHBondContact O-OG 2.73Å; T803-S807 PolarHBondContact O-N 3.01Å; L805-S807 VanDerWaalsContact C-N 3.35Å; S807-A811 VanDerWaalsContact O-CB 3.32Å; S807-A811 WeakPolarHBondContact O-CB 3.46Å; S807-A811 PolarHBondContact O-N 3Å; S807-R824 PolarHBondContact OG-NE 2.83Å; S807-R824 VanDerWaalsContact OG-NE 3.09Å; S807-R824 PolarHBondContact OG-NH2 3.26Å
808	K	89.2	Confident	84.9	Confident	99 Å²	99	36.2 Å²	36.2	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-61.4	-50.7	176.5	-179.1	-179.3	177.7	-179	0	111.5	F804 L805 E806 A811 M812	F804-K808 VanDerWaalsContact O-CB 3.24Å; F804-K808 WeakPolarHBondContact O-CB 3.37Å; F804-K808 PolarHBondContact O-N 2.91Å; L805-K808 PolarHBondContact O-N 3.46Å; E806-K808 PolarHBondContact O-N 3.04Å; K808-A811 PolarHBondContact O-N 2.94Å; K808-M812 WeakPolarHBondContact O-CB 3.47Å; K808-M812 PolarHBondContact O-N 3.38Å
809	F	93.7	Very high	85.2	Confident	9 Å²	9	37.3 Å²	37.3	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-71.3	-32.7	-177.5	-60.8	-57.6	0	0	0	112.2	V689 P694 V764 A767 F768 L805 E806 M812 A813	V689-F809 HydrophobicContact CG1-CD2 4.18Å; V689-F809 HydrophobicContact CG1-CE2 3.21Å; V689-F809 HydrophobicContact CG1-CZ 3.45Å; V689-F809 VanDerWaalsContact CG1-CZ 3.45Å; P694-F809 HydrophobicContact CG-CD1 3.67Å; P694-F809 HydrophobicContact CG-CE1 3.81Å; V764-F809 HydrophobicContact CG1-CE2 4.37Å; A767-F809 HydrophobicContact CB-CB 3.93Å; A767-F809 WeakPolarHBondContact O-CB 3.48Å; F768-F809 HydrophobicContact CB-CD2 4.24Å; F768-F809 HydrophobicContact CB-CG 4.31Å; F768-F809 HydrophobicContact CD2-CD1 4.22Å; F768-F809 AromaticContact CD2-CE1 3.88Å; F768-F809 HydrophobicContact CD2-CE1 3.88Å; F768-F809 HydrophobicContact CD2-CE2 4.47Å; F768-F809 HydrophobicContact CD2-CZ 4.02Å; L805-F809 HydrophobicContact CB-CE2 4.17Å; L805-F809 HydrophobicContact CD2-CE2 4.17Å; L805-F809 HydrophobicContact CD2-CZ 4.43Å; L805-F809 WeakPolarHBondContact O-CD2 3.37Å; L805-F809 PolarHBondContact O-N 3.34Å; E806-F809 PolarHBondContact O-N 3.44Å; F809-M812 PolarHBondContact O-N 2.93Å; F809-A813 WeakPolarHBondContact O-CB 3.36Å; F809-A813 PolarHBondContact O-N 3.39Å
810	A	91.5	Very high	85.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-41.2	171.8	0	0	0	0	0	112.5	L795 V798 V799 E806 M812 A813 L814	L795-A810 HydrophobicContact CB-CB 4.48Å; L795-A810 HydrophobicContact CD2-CB 3.9Å; V798-A810 HydrophobicContact CB-CB 3.99Å; V798-A810 HydrophobicContact CG1-CB 3.75Å; V799-A810 HydrophobicContact CG2-CB 3.79Å; E806-A810 WeakPolarHBondContact O-CB 3.43Å; E806-A810 PolarHBondContact O-N 3.4Å; A810-M812 VanDerWaalsContact C-N 3.33Å; A810-A813 PolarHBondContact O-N 3.27Å; A810-L814 WeakPolarHBondContact O-CG 3.32Å; A810-L814 PolarHBondContact O-N 3.31Å
811	A	88.6	Confident	85.6	Confident	18 Å²	18	46.2 Å²	46.2	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-39.2	175.5	0	0	0	0	0	111.3	V799 S807 K808 L814 H815 I821	V799-A811 HydrophobicContact CG1-CB 4.43Å; V799-A811 HydrophobicContact CG2-CB 3.81Å; V799-A811 VanDerWaalsContact CG2-N 3.29Å; S807-A811 VanDerWaalsContact O-CB 3.32Å; S807-A811 WeakPolarHBondContact O-CB 3.46Å; S807-A811 PolarHBondContact O-N 3Å; K808-A811 PolarHBondContact O-N 2.94Å; A811-L814 PolarHBondContact O-N 3.45Å; A811-H815 WeakPolarHBondContact O-CB 3.47Å; A811-H815 PolarHBondContact O-N 3.2Å; A811-I821 HydrophobicContact CB-CD1 4.47Å; A811-I821 HydrophobicContact CB-CG2 3.85Å
812	M	92.6	Very high	85.9	Confident	20 Å²	20	45.7 Å²	45.7	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-44.3	174.7	-162.1	140.6	-166.6	0	0	111.8	I695 A771 K808 F809 A810 H815 I816	I695-M812 HydrophobicContact CD1-CE 3.54Å; I695-M812 HydrophobicContact CG1-CE 4.01Å; A771-M812 HydrophobicContact CB-CB 4.45Å; K808-M812 WeakPolarHBondContact O-CB 3.47Å; K808-M812 PolarHBondContact O-N 3.38Å; F809-M812 PolarHBondContact O-N 2.93Å; A810-M812 VanDerWaalsContact C-N 3.33Å; M812-H815 PolarHBondContact O-N 3.26Å; M812-I816 HydrophobicContact CG-CD1 3.94Å; M812-I816 WeakPolarHBondContact O-CB 3.33Å; M812-I816 VanDerWaalsContact O-CD1 3.28Å; M812-I816 WeakPolarHBondContact O-CD1 3.44Å; M812-I816 WeakPolarHBondContact O-CG1 3.24Å; M812-I816 PolarHBondContact O-N 3.18Å
813	A	93.3	Very high	86.1	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-47.2	176.5	0	0	0	0	0	112.2	A771 A774 L795 F809 A810 H815 I816 L817	A771-A813 HydrophobicContact CB-CB 4.25Å; A774-A813 HydrophobicContact CB-CB 4.27Å; L795-A813 HydrophobicContact CD1-CB 3.85Å; L795-A813 HydrophobicContact CD2-CB 4.31Å; F809-A813 WeakPolarHBondContact O-CB 3.36Å; F809-A813 PolarHBondContact O-N 3.39Å; A810-A813 PolarHBondContact O-N 3.27Å; A813-H815 PolarHBondContact O-N 2.85Å; A813-I816 PolarHBondContact O-N 3.25Å; A813-L817 VanDerWaalsContact O-CG 3.3Å; A813-L817 WeakPolarHBondContact O-CG 3.27Å; A813-L817 PolarHBondContact O-N 3.31Å; A813-L817 VanDerWaalsContact O-N 3.08Å
814	L	91.3	Very high	85.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-46.8	175.2	-70.3	178.4	0	0	0	112	V792 L795 R796 V799 A810 A811 I816 L817 G818 E819	V792-L814 HydrophobicContact CG1-CD2 3.9Å; L795-L814 HydrophobicContact CB-CD1 4.42Å; L795-L814 HydrophobicContact CB-CD2 3.85Å; L795-L814 HydrophobicContact CB-CG 3.97Å; L795-L814 HydrophobicContact CD1-CD2 4.35Å; R796-L814 HydrophobicContact CB-CD1 4.43Å; R796-L814 HydrophobicContact CG-CD1 3.78Å; R796-L814 HydrophobicContact CG-CD2 4.22Å; V799-L814 HydrophobicContact CG2-CD1 3.89Å; A810-L814 WeakPolarHBondContact O-CG 3.32Å; A810-L814 PolarHBondContact O-N 3.31Å; A811-L814 PolarHBondContact O-N 3.45Å; L814-I816 VanDerWaalsContact C-N 3.3Å; L814-I816 PolarHBondContact O-N 2.93Å; L814-L817 PolarHBondContact O-N 3Å; L814-L817 VanDerWaalsContact O-N 3.08Å; L814-G818 PolarHBondContact O-N 3.16Å; L814-G818 VanDerWaalsContact O-N 3.1Å; L814-E819 HydrophobicContact CB-CB 4.01Å; L814-E819 HydrophobicContact CD2-CB 3.92Å; L814-E819 HydrophobicContact CD2-CG 4.25Å; L814-E819 PolarHBondContact O-N 3.05Å
815	H	91.9	Very high	85.8	Confident	133 Å²	133	47 Å²	47	62%	0.616	26%	0.256	S	S	*	.	H	α-helix	trans	-59.4	-40.9	179.6	-171.9	55.7	0	0	0	112.6	A811 M812 A813 L817 G818 I821	A811-H815 WeakPolarHBondContact O-CB 3.47Å; A811-H815 PolarHBondContact O-N 3.2Å; M812-H815 PolarHBondContact O-N 3.26Å; A813-H815 PolarHBondContact O-N 2.85Å; H815-L817 VanDerWaalsContact C-N 3.33Å; H815-G818 PolarHBondContact O-N 3Å; H815-I821 HydrophobicContact CB-CD1 4.1Å; H815-I821 HydrophobicContact CB-CG1 4.48Å
816	I	91.4	Very high	85.5	Confident	33 Å²	33	48.1 Å²	48.1	17%	0.169	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-30.8	177.5	-66.5	162	0	0	0	111.9	I695 A774 S778 M812 A813 L814 G818	I695-I816 HydrophobicContact CD1-CD1 3.92Å; I695-I816 HydrophobicContact CD1-CG1 4.32Å; I695-I816 HydrophobicContact CG1-CD1 3.82Å; A774-I816 VanDerWaalsContact C-CG2 3.46Å; A774-I816 HydrophobicContact CB-CB 4.17Å; A774-I816 HydrophobicContact CB-CG2 3.94Å; A774-I816 WeakPolarHBondContact O-CG2 3.43Å; S778-I816 VanDerWaalsContact OG-CG2 3.31Å; S778-I816 WeakPolarHBondContact OG-CG2 3.28Å; M812-I816 HydrophobicContact CG-CD1 3.94Å; M812-I816 WeakPolarHBondContact O-CB 3.33Å; M812-I816 VanDerWaalsContact O-CD1 3.28Å; M812-I816 WeakPolarHBondContact O-CD1 3.44Å; M812-I816 WeakPolarHBondContact O-CG1 3.24Å; M812-I816 PolarHBondContact O-N 3.18Å; A813-I816 PolarHBondContact O-N 3.25Å; L814-I816 VanDerWaalsContact C-N 3.3Å; L814-I816 PolarHBondContact O-N 2.93Å; I816-G818 VanDerWaalsContact C-N 3.27Å
817	L	89.3	Confident	85.4	Confident	17 Å²	17	50.7 Å²	50.7	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-75.8	-14.1	173.5	-66.7	168.6	0	0	0	113.1	A774 F786 V792 A813 L814 H815 E819	A774-L817 HydrophobicContact CB-CD2 4.25Å; A774-L817 HydrophobicContact CB-CG 4.09Å; F786-L817 HydrophobicContact CB-CD1 3.99Å; F786-L817 HydrophobicContact CB-CD2 4.29Å; F786-L817 HydrophobicContact CD1-CD1 3.9Å; F786-L817 HydrophobicContact CD2-CD1 4.34Å; F786-L817 HydrophobicContact CD2-CD2 3.75Å; F786-L817 HydrophobicContact CE1-CD1 4.48Å; F786-L817 HydrophobicContact CE2-CD2 4.26Å; F786-L817 HydrophobicContact CG-CD1 3.82Å; F786-L817 HydrophobicContact CG-CD2 4.02Å; V792-L817 HydrophobicContact CG2-CD1 4.32Å; A813-L817 VanDerWaalsContact O-CG 3.3Å; A813-L817 WeakPolarHBondContact O-CG 3.27Å; A813-L817 PolarHBondContact O-N 3.31Å; A813-L817 VanDerWaalsContact O-N 3.08Å; L814-L817 PolarHBondContact O-N 3Å; L814-L817 VanDerWaalsContact O-N 3.08Å; H815-L817 VanDerWaalsContact C-N 3.33Å; L817-E819 HydrophobicContact CB-CG 4.33Å
818	G	86.8	Confident	85.4	Confident	68 Å²	68	53.8 Å²	53.8	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	17.7	-175.2	0	0	0	0	0	114.1	L814 H815 I816	L814-G818 PolarHBondContact O-N 3.16Å; L814-G818 VanDerWaalsContact O-N 3.1Å; H815-G818 PolarHBondContact O-N 3Å; I816-G818 VanDerWaalsContact C-N 3.27Å
819	E	88.8	Confident	85.5	Confident	36 Å²	36	49.2 Å²	49.2	17%	0.168	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-89.8	144.8	-179.8	-73.3	-73.2	146	0	0	112.3	Y787 V792 R796 L814 L817 I821	Y787-E819 WeakPolarHBondContact CE1-OE1 3.38Å; Y787-E819 PolarHBondContact OH-OE1 2.91Å; V792-E819 HydrophobicContact CG1-CG 3.87Å; R796-E819 IonicContact CZ-OE2 2.7Å; R796-E819 IonicContact NE-OE2 2.86Å; R796-E819 IonicContact NH2-OE2 3.84Å; R796-E819 PolarHBondContact NH2-OE2 3.3Å; L814-E819 HydrophobicContact CB-CB 4.01Å; L814-E819 HydrophobicContact CD2-CB 3.92Å; L814-E819 HydrophobicContact CD2-CG 4.25Å; L814-E819 PolarHBondContact O-N 3.05Å; L817-E819 HydrophobicContact CB-CG 4.33Å; E819-I821 PolarHBondContact O-N 3.34Å
820	D	81.2	Confident	85.5	Confident	151 Å²	151	49.4 Å²	49.4	81%	0.807	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-65.2	125.8	173.9	-76.2	-48.2	0	0	0	111	P822	D820-P822 WeakPolarHBondContact O-CD 3.4Å
821	I	79.9	Confident	85.4	Confident	80 Å²	80	54.5 Å²	54.5	41%	0.41	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-76.1	118.4	178.9	-52.3	173.3	0	0	0	108.4	V799 A811 H815 E819 C823	V799-I821 HydrophobicContact CG1-CG2 3.92Å; A811-I821 HydrophobicContact CB-CD1 4.47Å; A811-I821 HydrophobicContact CB-CG2 3.85Å; H815-I821 HydrophobicContact CB-CD1 4.1Å; H815-I821 HydrophobicContact CB-CG1 4.48Å; E819-I821 PolarHBondContact O-N 3.34Å; I821-C823 PolarHBondContact O-N 3.5Å
822	P	74.4	Confident	85.7	Confident	23 Å²	23	54.2 Å²	54.2	15%	0.149	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.7	122.7	-178.2	26	-33.2	0	0	0	110.9	R796 V799 D820 R824	R796-P822 HydrophobicContact CB-CG 4.15Å; R796-P822 HydrophobicContact CG-CG 4.38Å; R796-P822 WeakPolarHBondContact O-CG 3.24Å; V799-P822 HydrophobicContact CB-CG 3.96Å; V799-P822 HydrophobicContact CG1-CG 3.86Å; D820-P822 WeakPolarHBondContact O-CD 3.4Å; P822-R824 PolarHBondContact O-N 3.05Å
823	C	67.8	Low	85.7	Confident	99 Å²	99	56.9 Å²	56.9	67%	0.669	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-50.8	124.1	179.9	-57	0	0	0	0	111.2	I821 L825 R843	I821-C823 PolarHBondContact O-N 3.5Å; C823-L825 PolarHBondContact O-N 3.08Å; C823-R843 PolarHBondContact O-NH1 3.26Å; C823-R843 PolarHBondContact O-NH2 2.92Å
824	R	71	Confident	85.6	Confident	116 Å²	116	61.2 Å²	61.2	44%	0.438	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-59.1	124.5	175.2	-71	-177.2	-178.4	142.6	-2.2	109.5	E71 S807 P822	E71-R824 IonicContact OE1-NH1 2.72Å; S807-R824 PolarHBondContact OG-NE 2.83Å; S807-R824 VanDerWaalsContact OG-NE 3.09Å; S807-R824 PolarHBondContact OG-NH2 3.26Å; P822-R824 PolarHBondContact O-N 3.05Å
825	L	78.9	Confident	85.4	Confident	42 Å²	42	63.5 Å²	63.5	22%	0.22	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-72.8	142.8	171.5	-67.6	165.4	0	0	0	108.9	C823 W832 E836 C839 W840	C823-L825 PolarHBondContact O-N 3.08Å; L825-W832 HydrophobicContact CB-CH2 4.26Å; L825-W832 HydrophobicContact CB-CZ2 3.69Å; L825-W832 HydrophobicContact CD1-CH2 3.92Å; L825-W832 HydrophobicContact CD1-CZ2 4.22Å; L825-W832 HydrophobicContact CG-CZ2 4.43Å; L825-E836 HydrophobicContact CD2-CB 4.02Å; L825-E836 HydrophobicContact CD2-CG 4.28Å; L825-C839 HydrophobicContact CD2-CB 4.27Å; L825-W840 HydrophobicContact CD1-CB 3.87Å
826	P	80.9	Confident	85.4	Confident	57 Å²	57	59.6 Å²	59.6	37%	0.37	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-59.3	143.4	177.9	-23.9	33.9	0	0	0	111.7	Q828 W832 E836	P826-Q828 PolarHBondContact O-N 2.86Å; P826-W832 WeakPolarHBondContact O-CZ2 3.37Å; P826-W832 PolarHBondContact O-NE1 3.26Å; P826-E836 WeakPolarHBondContact CD-OE1 3.2Å; P826-E836 WeakPolarHBondContact CG-OE1 3.38Å
827	A	84.2	Confident	85.4	Confident	64 Å²	64	58 Å²	58	53%	0.529	33%	0.331	S	S	.	.	S	Bend	trans	-63.9	-25	173.8	0	0	0	0	0	112.4	V829 D898	A827-V829 VanDerWaalsContact C-N 3.27Å; A827-V829 PolarHBondContact O-N 3.32Å; A827-D898 HydrophobicContact CB-CB 3.89Å; A827-D898 PolarHBondContact O-N 3.44Å
828	Q	87.5	Confident	85.5	Confident	65 Å²	65	60.2 Å²	60.2	30%	0.304	34%	0.341	S	S	.	.			trans	-81.1	67	-176.8	-69	177.8	-6.3	0	0	112.1	P826 P830 L831 D898 S900	P826-Q828 PolarHBondContact O-N 2.86Å; Q828-P830 VanDerWaalsContact C-N 3.27Å; Q828-P830 VanDerWaalsContact O-N 3.15Å; Q828-L831 HydrophobicContact CB-CD1 4.21Å; Q828-L831 HydrophobicContact CB-CG 4.39Å; Q828-L831 PolarHBondContact O-N 2.93Å; Q828-D898 HydrophobicContact CG-CB 3.89Å; Q828-D898 WeakPolarHBondContact CG-OD2 3.33Å; Q828-D898 PolarHBondContact NE2-OD2 2.98Å; Q828-S900 PolarHBondContact NE2-OG 3.18Å; Q828-S900 VanDerWaalsContact NE2-OG 3.16Å
829	V	91.7	Very high	85.4	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.012	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-48.1	-37.4	177.8	-171.7	0	0	0	0	114.1	A827 L831 W832 G860 L864 L893 A897	A827-V829 VanDerWaalsContact C-N 3.27Å; A827-V829 PolarHBondContact O-N 3.32Å; V829-L831 PolarHBondContact O-N 3.13Å; V829-W832 HydrophobicContact CB-CD2 4.39Å; V829-W832 HydrophobicContact CG1-CD2 4.05Å; V829-W832 HydrophobicContact CG1-CE3 4.01Å; V829-W832 HydrophobicContact CG1-CZ3 4.27Å; V829-W832 HydrophobicContact CG2-CD2 4.48Å; V829-W832 HydrophobicContact CG2-CH2 4.22Å; V829-W832 HydrophobicContact CG2-CZ2 3.81Å; V829-W832 WeakPolarHBondContact O-CB 3.24Å; V829-W832 PolarHBondContact O-N 3.4Å; V829-W832 VanDerWaalsContact O-N 3.12Å; V829-G860 VanDerWaalsContact O-CA 3.29Å; V829-G860 WeakPolarHBondContact O-CA 3.4Å; V829-L864 HydrophobicContact CB-CD1 4.21Å; V829-L864 HydrophobicContact CG1-CD1 3.93Å; V829-L864 HydrophobicContact CG1-CD2 3.95Å; V829-L864 HydrophobicContact CG1-CG 3.9Å; V829-L893 HydrophobicContact CG1-CD2 3.85Å; V829-L893 HydrophobicContact CG1-CG 4.21Å; V829-L893 HydrophobicContact CG2-CD1 3.7Å; V829-L893 HydrophobicContact CG2-CD2 4.44Å; V829-L893 HydrophobicContact CG2-CG 4.02Å; V829-A897 HydrophobicContact CB-CB 3.95Å; V829-A897 HydrophobicContact CG2-CB 3.52Å
830	P	91.8	Very high	85.4	Confident	13 Å²	13	57.9 Å²	57.9	8%	0.084	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-60.8	-14.2	175.6	-25.4	35.8	0	0	0	115.8	Q828 L864 Y899 V902 Y977	Q828-P830 VanDerWaalsContact C-N 3.27Å; Q828-P830 VanDerWaalsContact O-N 3.15Å; P830-L864 HydrophobicContact CB-CD1 4.24Å; P830-L864 HydrophobicContact CG-CD1 3.76Å; P830-Y899 HydrophobicContact CG-CD1 3.69Å; P830-Y899 HydrophobicContact CG-CE1 3.99Å; P830-V902 HydrophobicContact CB-CG1 4.08Å; P830-V902 HydrophobicContact CB-CG2 4.11Å; P830-V902 HydrophobicContact CG-CG2 3.87Å; P830-Y977 HydrophobicContact CB-CE2 3.78Å; P830-Y977 HydrophobicContact CG-CD2 4.1Å; P830-Y977 HydrophobicContact CG-CE2 3.8Å
831	L	91.3	Very high	85.8	Confident	108 Å²	108	50.7 Å²	50.7	57%	0.565	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-104.9	-0.2	179	-57.4	-177	0	0	0	113.3	Q828 V829 A901	Q828-L831 HydrophobicContact CB-CD1 4.21Å; Q828-L831 HydrophobicContact CB-CG 4.39Å; Q828-L831 PolarHBondContact O-N 2.93Å; V829-L831 PolarHBondContact O-N 3.13Å; L831-A901 HydrophobicContact CD1-CB 3.96Å; L831-A901 HydrophobicContact CG-CB 4.36Å
832	W	93.3	Very high	86.1	Confident	12 Å²	12	49.3 Å²	49.3	5%	0.045	27%	0.273	C	S	.	.			trans	-64.4	139.8	-175.9	-76.2	3.3	0	0	0	113	L825 P826 V829 E836 V837 W840 G860 L863 L893	L825-W832 HydrophobicContact CB-CH2 4.26Å; L825-W832 HydrophobicContact CB-CZ2 3.69Å; L825-W832 HydrophobicContact CD1-CH2 3.92Å; L825-W832 HydrophobicContact CD1-CZ2 4.22Å; L825-W832 HydrophobicContact CG-CZ2 4.43Å; P826-W832 WeakPolarHBondContact O-CZ2 3.37Å; P826-W832 PolarHBondContact O-NE1 3.26Å; V829-W832 HydrophobicContact CB-CD2 4.39Å; V829-W832 HydrophobicContact CG1-CD2 4.05Å; V829-W832 HydrophobicContact CG1-CE3 4.01Å; V829-W832 HydrophobicContact CG1-CZ3 4.27Å; V829-W832 HydrophobicContact CG2-CD2 4.48Å; V829-W832 HydrophobicContact CG2-CH2 4.22Å; V829-W832 HydrophobicContact CG2-CZ2 3.81Å; V829-W832 WeakPolarHBondContact O-CB 3.24Å; V829-W832 PolarHBondContact O-N 3.4Å; V829-W832 VanDerWaalsContact O-N 3.12Å; W832-E836 VanDerWaalsContact CA-OE2 3.23Å; W832-E836 WeakPolarHBondContact CA-OE2 3.34Å; W832-E836 HydrophobicContact CB-CB 4.03Å; W832-E836 HydrophobicContact CD2-CB 4.19Å; W832-E836 HydrophobicContact CE3-CB 4.49Å; W832-E836 HydrophobicContact CG-CB 4Å; W832-V837 HydrophobicContact CB-CG2 4.41Å; W832-V837 HydrophobicContact CE3-CG2 4.09Å; W832-W840 HydrophobicContact CH2-CB 4.05Å; W832-W840 AromaticContact CH2-CD1 3.77Å; W832-W840 AromaticContact CH2-CG 3.98Å; W832-W840 HydrophobicContact CH2-CG 3.98Å; W832-W840 HydrophobicContact CZ3-CB 3.62Å; W832-W840 AromaticContact CZ3-CD1 3.99Å; W832-W840 HydrophobicContact CZ3-CD2 4.43Å; W832-W840 AromaticContact CZ3-CG 3.72Å; W832-W840 HydrophobicContact CZ3-CG 3.72Å; W832-G860 PolarHBondContact O-N 2.72Å; W832-L863 HydrophobicContact CE3-CD2 4.39Å; W832-L863 HydrophobicContact CZ3-CD2 4.33Å; W832-L893 HydrophobicContact CH2-CD1 3.67Å; W832-L893 HydrophobicContact CH2-CD2 4.15Å; W832-L893 HydrophobicContact CZ2-CD1 4.3Å; W832-L893 HydrophobicContact CZ3-CD1 4.32Å; W832-L893 HydrophobicContact CZ3-CD2 3.94Å
833	D	92.3	Very high	86.3	Confident	75 Å²	75	50.2 Å²	50.2	40%	0.401	27%	0.273	S	S	.	.			trans	-81.1	177.8	167.2	85.9	10.2	0	0	0	112.7	A835 E836 V837	D833-A835 VanDerWaalsContact C-N 3.31Å; D833-A835 PolarHBondContact O-N 3Å; D833-A835 WeakPolarHBondContact OD1-CA 3.27Å; D833-A835 WeakPolarHBondContact OD1-CB 3.27Å; D833-A835 PolarHBondContact OD1-N 2.69Å; D833-E836 PolarHBondContact N-OE2 3.24Å; D833-E836 PolarHBondContact O-N 2.96Å; D833-E836 PolarHBondContact OD1-N 2.88Å; D833-V837 WeakPolarHBondContact O-CG2 3.25Å; D833-V837 PolarHBondContact O-N 3.24Å; D833-V837 VanDerWaalsContact O-N 3.14Å
834	Y	91.4	Very high	87.1	Confident	92 Å²	92	49.2 Å²	49.2	36%	0.361	26%	0.255	S	S	.	.	H	α-helix	trans	-71.9	-21.2	-178	62.2	-89.5	0	0	0	113.6	E838 V858	Y834-E838 VanDerWaalsContact O-CB 3.3Å; Y834-E838 WeakPolarHBondContact O-CB 3.22Å; Y834-E838 PolarHBondContact O-N 3.44Å; Y834-V858 WeakPolarHBondContact CA-O 3.46Å
835	A	88.6	Confident	87.6	Confident	47 Å²	47	45.8 Å²	45.8	39%	0.388	26%	0.256	S	S	.	.	H	α-helix	trans	-80.8	-33.2	175.6	0	0	0	0	0	111.3	D833 E838 C839	D833-A835 VanDerWaalsContact C-N 3.31Å; D833-A835 PolarHBondContact O-N 3Å; D833-A835 WeakPolarHBondContact OD1-CA 3.27Å; D833-A835 WeakPolarHBondContact OD1-CB 3.27Å; D833-A835 PolarHBondContact OD1-N 2.69Å; A835-E838 PolarHBondContact O-N 2.9Å; A835-C839 VanDerWaalsContact O-CB 3.26Å; A835-C839 WeakPolarHBondContact O-CB 3.39Å; A835-C839 PolarHBondContact O-N 3.06Å
836	E	90.7	Very high	88.1	Confident	52 Å²	52	44 Å²	44	24%	0.243	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-40.8	170.2	-67.6	176.7	124.5	0	0	111.3	L825 P826 W832 D833 C839 W840	L825-E836 HydrophobicContact CD2-CB 4.02Å; L825-E836 HydrophobicContact CD2-CG 4.28Å; P826-E836 WeakPolarHBondContact CD-OE1 3.2Å; P826-E836 WeakPolarHBondContact CG-OE1 3.38Å; W832-E836 VanDerWaalsContact CA-OE2 3.23Å; W832-E836 WeakPolarHBondContact CA-OE2 3.34Å; W832-E836 HydrophobicContact CB-CB 4.03Å; W832-E836 HydrophobicContact CD2-CB 4.19Å; W832-E836 HydrophobicContact CE3-CB 4.49Å; W832-E836 HydrophobicContact CG-CB 4Å; D833-E836 PolarHBondContact N-OE2 3.24Å; D833-E836 PolarHBondContact O-N 2.96Å; D833-E836 PolarHBondContact OD1-N 2.88Å; E836-C839 PolarHBondContact O-N 2.94Å; E836-W840 WeakPolarHBondContact O-CB 3.48Å; E836-W840 PolarHBondContact O-N 2.87Å
837	V	92	Very high	88.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-43.7	170	172.6	0	0	0	0	111.9	W832 D833 C839 W840 L841 F853 V858 L863	W832-V837 HydrophobicContact CB-CG2 4.41Å; W832-V837 HydrophobicContact CE3-CG2 4.09Å; D833-V837 WeakPolarHBondContact O-CG2 3.25Å; D833-V837 PolarHBondContact O-N 3.24Å; D833-V837 VanDerWaalsContact O-N 3.14Å; V837-C839 VanDerWaalsContact C-N 3.34Å; V837-C839 PolarHBondContact O-N 3.29Å; V837-W840 PolarHBondContact O-N 3.36Å; V837-L841 HydrophobicContact CG1-CD1 4.23Å; V837-L841 WeakPolarHBondContact O-CG 3.09Å; V837-L841 PolarHBondContact O-N 2.97Å; V837-F853 HydrophobicContact CG1-CD1 3.99Å; V837-V858 WeakPolarHBondContact CB-O 3.44Å; V837-V858 HydrophobicContact CG1-CG1 4.43Å; V837-V858 WeakPolarHBondContact CG1-O 3.24Å; V837-V858 WeakPolarHBondContact CG2-O 3.29Å; V837-L863 HydrophobicContact CG1-CD1 4.48Å; V837-L863 HydrophobicContact CG1-CD2 4.19Å; V837-L863 HydrophobicContact CG2-CB 4.32Å; V837-L863 HydrophobicContact CG2-CD2 3.95Å
838	E	90.4	Very high	88.6	Confident	62 Å²	62	51.4 Å²	51.4	29%	0.29	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-45.5	175.5	-167.4	171.2	-174.1	0	0	111	Y834 A835 W840 L841 T842 A850 S854	Y834-E838 VanDerWaalsContact O-CB 3.3Å; Y834-E838 WeakPolarHBondContact O-CB 3.22Å; Y834-E838 PolarHBondContact O-N 3.44Å; A835-E838 PolarHBondContact O-N 2.9Å; E838-W840 PolarHBondContact O-N 3.1Å; E838-L841 PolarHBondContact O-N 3.44Å; E838-T842 PolarHBondContact O-N 2.9Å; E838-T842 VanDerWaalsContact O-N 3.13Å; E838-T842 PolarHBondContact O-OG1 3.09Å; E838-A850 HydrophobicContact CG-CB 3.71Å; E838-S854 VanDerWaalsContact CD-CB 3.45Å; E838-S854 WeakPolarHBondContact OE2-CB 3.47Å; E838-S854 PolarHBondContact OE2-OG 3Å
839	C	86.5	Confident	88.7	Confident	45 Å²	45	49.4 Å²	49.4	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-37.5	178.1	-160.6	0	0	0	0	112.7	L825 A835 E836 V837 R843	L825-C839 HydrophobicContact CD2-CB 4.27Å; A835-C839 VanDerWaalsContact O-CB 3.26Å; A835-C839 WeakPolarHBondContact O-CB 3.39Å; A835-C839 PolarHBondContact O-N 3.06Å; E836-C839 PolarHBondContact O-N 2.94Å; V837-C839 VanDerWaalsContact C-N 3.34Å; V837-C839 PolarHBondContact O-N 3.29Å; C839-R843 VanDerWaalsContact O-CG 3.31Å; C839-R843 WeakPolarHBondContact O-CG 3.47Å; C839-R843 PolarHBondContact O-N 3.45Å; C839-R843 VanDerWaalsContact O-N 3.15Å; C839-R843 VanDerWaalsContact SG-CZ 3.59Å; C839-R843 PolarHBondContact SG-NE 2.97Å; C839-R843 VanDerWaalsContact SG-NE 3.38Å; C839-R843 PolarHBondContact SG-NH2 3.44Å
840	W	88.6	Confident	88.5	Confident	10 Å²	10	49.5 Å²	49.5	4%	0.038	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-43.6	173.8	177.2	79.4	0	0	0	112.6	L825 W832 E836 V837 E838 R843 R844 L863 L886 E889 L890 L893	L825-W840 HydrophobicContact CD1-CB 3.87Å; W832-W840 HydrophobicContact CH2-CB 4.05Å; W832-W840 AromaticContact CH2-CD1 3.77Å; W832-W840 AromaticContact CH2-CG 3.98Å; W832-W840 HydrophobicContact CH2-CG 3.98Å; W832-W840 HydrophobicContact CZ3-CB 3.62Å; W832-W840 AromaticContact CZ3-CD1 3.99Å; W832-W840 HydrophobicContact CZ3-CD2 4.43Å; W832-W840 AromaticContact CZ3-CG 3.72Å; W832-W840 HydrophobicContact CZ3-CG 3.72Å; E836-W840 WeakPolarHBondContact O-CB 3.48Å; E836-W840 PolarHBondContact O-N 2.87Å; V837-W840 PolarHBondContact O-N 3.36Å; E838-W840 PolarHBondContact O-N 3.1Å; W840-R843 PolarHBondContact O-N 3.04Å; W840-R844 HydrophobicContact CD2-CG 4.44Å; W840-R844 HydrophobicContact CZ2-CG 4.18Å; W840-R844 WeakPolarHBondContact O-CG 3.48Å; W840-R844 PolarHBondContact O-N 3.33Å; W840-R844 VanDerWaalsContact O-N 3.1Å; W840-L863 HydrophobicContact CE3-CD1 4.47Å; W840-L863 HydrophobicContact CE3-CD2 4.08Å; W840-L863 HydrophobicContact CZ3-CD1 4.02Å; W840-L863 HydrophobicContact CZ3-CD2 4.29Å; W840-L886 HydrophobicContact CH2-CD1 4.17Å; W840-L886 HydrophobicContact CZ3-CD1 4.09Å; W840-E889 HydrophobicContact CH2-CB 4.22Å; W840-E889 HydrophobicContact CZ2-CB 4.01Å; W840-L890 HydrophobicContact CH2-CB 4.27Å; W840-L893 HydrophobicContact CD2-CD2 4.14Å; W840-L893 HydrophobicContact CZ2-CB 4.03Å; W840-L893 HydrophobicContact CZ2-CD2 3.97Å
841	L	89.7	Confident	88.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-47.9	178	-75.3	166.2	0	0	0	111.6	V837 E838 R843 R844 G845 F846 A850 F853 L886	V837-L841 HydrophobicContact CG1-CD1 4.23Å; V837-L841 WeakPolarHBondContact O-CG 3.09Å; V837-L841 PolarHBondContact O-N 2.97Å; E838-L841 PolarHBondContact O-N 3.44Å; L841-R843 PolarHBondContact O-N 2.69Å; L841-R844 CarbonylContact O-C 3.47Å; L841-R844 PolarHBondContact O-N 2.9Å; L841-R844 VanDerWaalsContact O-N 3.09Å; L841-G845 PolarHBondContact O-N 2.79Å; L841-F846 HydrophobicContact CB-CB 4.27Å; L841-F846 HydrophobicContact CD2-CB 4.05Å; L841-F846 WeakPolarHBondContact O-CA 3.27Å; L841-F846 WeakPolarHBondContact O-CB 3.44Å; L841-F846 PolarHBondContact O-N 3.33Å; L841-A850 HydrophobicContact CB-CB 4.15Å; L841-F853 HydrophobicContact CD1-CB 3.57Å; L841-F853 HydrophobicContact CD1-CD1 3.6Å; L841-F853 HydrophobicContact CD1-CD2 3.77Å; L841-F853 HydrophobicContact CD1-CE1 4.16Å; L841-F853 HydrophobicContact CD1-CE2 4.32Å; L841-F853 HydrophobicContact CD1-CG 3.37Å; L841-F853 HydrophobicContact CD1-CZ 4.5Å; L841-L886 HydrophobicContact CD2-CD1 3.81Å
842	T	85.7	Confident	88.3	Confident	51 Å²	51	50.2 Å²	50.2	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-55.1	-51.8	176.6	-60.6	0	0	0	0	110.8	E838 R844 G845 E847	E838-T842 PolarHBondContact O-N 2.9Å; E838-T842 VanDerWaalsContact O-N 3.13Å; E838-T842 PolarHBondContact O-OG1 3.09Å; T842-R844 PolarHBondContact O-N 2.77Å; T842-R844 VanDerWaalsContact O-N 3.11Å; T842-G845 PolarHBondContact O-N 2.82Å; T842-E847 HydrophobicContact CG2-CG 3.95Å; T842-E847 WeakPolarHBondContact CG2-OE1 3.36Å
843	R	78.6	Confident	88.3	Confident	43 Å²	43	49.8 Å²	49.8	16%	0.162	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-6	178.1	-64.8	178.2	-160.8	-174.7	9.4	115.6	C800 C823 C839 W840 L841	C800-R843 PolarHBondContact SG-NH1 3.08Å; C823-R843 PolarHBondContact O-NH1 3.26Å; C823-R843 PolarHBondContact O-NH2 2.92Å; C839-R843 VanDerWaalsContact O-CG 3.31Å; C839-R843 WeakPolarHBondContact O-CG 3.47Å; C839-R843 PolarHBondContact O-N 3.45Å; C839-R843 VanDerWaalsContact O-N 3.15Å; C839-R843 VanDerWaalsContact SG-CZ 3.59Å; C839-R843 PolarHBondContact SG-NE 2.97Å; C839-R843 VanDerWaalsContact SG-NE 3.38Å; C839-R843 PolarHBondContact SG-NH2 3.44Å; W840-R843 PolarHBondContact O-N 3.04Å; L841-R843 PolarHBondContact O-N 2.69Å
844	R	83.3	Confident	88.2	Confident	77 Å²	77	47.5 Å²	47.5	29%	0.291	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	12.7	170.7	-67.1	-70.4	168.2	-100.2	10.6	111.9	N797 W840 L841 T842 F846 E889	N797-R844 PolarHBondContact OD1-NH1 3.26Å; W840-R844 HydrophobicContact CD2-CG 4.44Å; W840-R844 HydrophobicContact CZ2-CG 4.18Å; W840-R844 WeakPolarHBondContact O-CG 3.48Å; W840-R844 PolarHBondContact O-N 3.33Å; W840-R844 VanDerWaalsContact O-N 3.1Å; L841-R844 CarbonylContact O-C 3.47Å; L841-R844 PolarHBondContact O-N 2.9Å; L841-R844 VanDerWaalsContact O-N 3.09Å; T842-R844 PolarHBondContact O-N 2.77Å; T842-R844 VanDerWaalsContact O-N 3.11Å; R844-F846 HydrophobicContact CB-CD2 3.85Å; R844-F846 HydrophobicContact CB-CE2 4.12Å; R844-F846 WeakPolarHBondContact O-CD2 3.41Å; R844-F846 VanDerWaalsContact O-CE2 3.29Å; R844-F846 WeakPolarHBondContact O-CE2 3.27Å; R844-E889 HydrophobicContact CB-CG 4.37Å; R844-E889 HydrophobicContact CG-CB 4.42Å
845	G	82.4	Confident	88.2	Confident	44 Å²	44	51 Å²	51	45%	0.454	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	30.6	177.8	0	0	0	0	0	113.2	L841 T842 R885	L841-G845 PolarHBondContact O-N 2.79Å; T842-G845 PolarHBondContact O-N 2.82Å; G845-R885 PolarHBondContact O-NH2 2.81Å
846	F	88.7	Confident	88.4	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.018	28%	0.278	C	S	.	.			trans	-115.3	38.1	176	-63.1	-91.3	0	0	0	111.7	L841 R844 D848 L849 A850 T882 R885 L886 E889	L841-F846 HydrophobicContact CB-CB 4.27Å; L841-F846 HydrophobicContact CD2-CB 4.05Å; L841-F846 WeakPolarHBondContact O-CA 3.27Å; L841-F846 WeakPolarHBondContact O-CB 3.44Å; L841-F846 PolarHBondContact O-N 3.33Å; R844-F846 HydrophobicContact CB-CD2 3.85Å; R844-F846 HydrophobicContact CB-CE2 4.12Å; R844-F846 WeakPolarHBondContact O-CD2 3.41Å; R844-F846 VanDerWaalsContact O-CE2 3.29Å; R844-F846 WeakPolarHBondContact O-CE2 3.27Å; F846-D848 VanDerWaalsContact C-N 3.25Å; F846-D848 PolarHBondContact O-N 2.76Å; F846-L849 HydrophobicContact CB-CB 4.28Å; F846-L849 HydrophobicContact CB-CD1 4.32Å; F846-L849 HydrophobicContact CB-CG 4.29Å; F846-L849 HydrophobicContact CD1-CD1 3.7Å; F846-L849 HydrophobicContact CD1-CG 4.35Å; F846-L849 HydrophobicContact CG-CD1 4.42Å; F846-L849 WeakPolarHBondContact O-CA 3.49Å; F846-L849 WeakPolarHBondContact O-CB 3.16Å; F846-L849 PolarHBondContact O-N 3.11Å; F846-A850 PolarHBondContact O-N 2.85Å; F846-A850 VanDerWaalsContact O-N 3.11Å; F846-T882 HydrophobicContact CE1-CG2 4.22Å; F846-R885 HydrophobicContact CE1-CB 4.46Å; F846-R885 HydrophobicContact CZ-CB 3.98Å; F846-R885 HydrophobicContact CZ-CG 3.85Å; F846-R885 VanDerWaalsContact CZ-NH2 3.32Å; F846-L886 HydrophobicContact CD1-CB 4.49Å; F846-L886 HydrophobicContact CD1-CD1 4.25Å; F846-L886 HydrophobicContact CD2-CD1 4.12Å; F846-L886 HydrophobicContact CE1-CB 3.7Å; F846-L886 HydrophobicContact CE1-CD1 4.12Å; F846-L886 HydrophobicContact CE1-CG 4.4Å; F846-L886 HydrophobicContact CE2-CD1 4Å; F846-L886 HydrophobicContact CG-CD1 4.25Å; F846-L886 VanDerWaalsContact CZ-CA 3.44Å; F846-L886 HydrophobicContact CZ-CB 3.74Å; F846-L886 HydrophobicContact CZ-CD1 3.98Å; F846-L886 HydrophobicContact CZ-CG 4.46Å; F846-E889 HydrophobicContact CE2-CG 4Å
847	E	87.1	Confident	88.5	Confident	131 Å²	131	58.7 Å²	58.7	61%	0.612	30%	0.295	S	S	*	.	H	α-helix	trans	-52.9	-41.9	-179.1	-45.7	-165.2	131.8	0	0	112.1	T842 L849 A850	T842-E847 HydrophobicContact CG2-CG 3.95Å; T842-E847 WeakPolarHBondContact CG2-OE1 3.36Å; E847-L849 PolarHBondContact O-N 2.68Å; E847-L849 VanDerWaalsContact O-N 3.15Å; E847-A850 VanDerWaalsContact O-CB 3.26Å; E847-A850 WeakPolarHBondContact O-CB 3.33Å; E847-A850 PolarHBondContact O-N 2.62Å; E847-A850 VanDerWaalsContact O-N 3.13Å
848	D	88.8	Confident	88.5	Confident	147 Å²	147	59.1 Å²	59.1	79%	0.786	30%	0.298	S	S	*	.	H	α-helix	trans	-53.8	-34.5	174.6	-58.5	-48.5	0	0	0	113.3	F846	F846-D848 VanDerWaalsContact C-N 3.25Å; F846-D848 PolarHBondContact O-N 2.76Å
849	L	89.7	Confident	88.7	Confident	22 Å²	22	58.9 Å²	58.9	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-89.4	-24.5	-177.2	-52.8	-167.8	0	0	0	112.6	F846 E847 S851 K852 F853 L877 L886	F846-L849 HydrophobicContact CB-CB 4.28Å; F846-L849 HydrophobicContact CB-CD1 4.32Å; F846-L849 HydrophobicContact CB-CG 4.29Å; F846-L849 HydrophobicContact CD1-CD1 3.7Å; F846-L849 HydrophobicContact CD1-CG 4.35Å; F846-L849 HydrophobicContact CG-CD1 4.42Å; F846-L849 WeakPolarHBondContact O-CA 3.49Å; F846-L849 WeakPolarHBondContact O-CB 3.16Å; F846-L849 PolarHBondContact O-N 3.11Å; E847-L849 PolarHBondContact O-N 2.68Å; E847-L849 VanDerWaalsContact O-N 3.15Å; L849-S851 VanDerWaalsContact C-N 3.3Å; L849-S851 PolarHBondContact O-N 2.9Å; L849-K852 WeakPolarHBondContact O-CA 3.26Å; L849-K852 WeakPolarHBondContact O-CB 3.35Å; L849-K852 PolarHBondContact O-N 3.15Å; L849-F853 HydrophobicContact CB-CD2 4.33Å; L849-F853 HydrophobicContact CB-CE2 4.34Å; L849-F853 WeakPolarHBondContact O-CD2 3.38Å; L849-F853 PolarHBondContact O-N 3.35Å; L849-L877 HydrophobicContact CD1-CD1 4.08Å; L849-L877 HydrophobicContact CD1-CD2 3.97Å; L849-L877 HydrophobicContact CD2-CD2 3.63Å; L849-L877 HydrophobicContact CG-CD2 4.48Å; L849-L886 HydrophobicContact CD1-CD2 4.2Å
850	A	88.5	Confident	89	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-52.2	-49.6	-179.1	0	0	0	0	0	110.7	E838 L841 F846 E847 K852 F853 S854	E838-A850 HydrophobicContact CG-CB 3.71Å; L841-A850 HydrophobicContact CB-CB 4.15Å; F846-A850 PolarHBondContact O-N 2.85Å; F846-A850 VanDerWaalsContact O-N 3.11Å; E847-A850 VanDerWaalsContact O-CB 3.26Å; E847-A850 WeakPolarHBondContact O-CB 3.33Å; E847-A850 PolarHBondContact O-N 2.62Å; E847-A850 VanDerWaalsContact O-N 3.13Å; A850-K852 PolarHBondContact O-N 3.02Å; A850-K852 VanDerWaalsContact O-N 3.14Å; A850-F853 PolarHBondContact O-N 3.2Å; A850-S854 WeakPolarHBondContact O-CB 3.38Å; A850-S854 PolarHBondContact O-N 3.32Å
851	S	88.1	Confident	89.1	Confident	55 Å²	55	58.4 Å²	58.4	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-19.9	176.8	80.6	0	0	0	0	115	L849 K855	L849-S851 VanDerWaalsContact C-N 3.3Å; L849-S851 PolarHBondContact O-N 2.9Å; S851-K855 WeakPolarHBondContact O-CD 3.43Å; S851-K855 WeakPolarHBondContact O-CG 3.31Å
852	K	90.9	Very high	89.3	Confident	82 Å²	82	61.8 Å²	61.8	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-87.6	-40.7	177.7	-166.3	174.8	-169.9	175.4	0	111.3	L849 A850 L856 L875	L849-K852 WeakPolarHBondContact O-CA 3.26Å; L849-K852 WeakPolarHBondContact O-CB 3.35Å; L849-K852 PolarHBondContact O-N 3.15Å; A850-K852 PolarHBondContact O-N 3.02Å; A850-K852 VanDerWaalsContact O-N 3.14Å; K852-L856 HydrophobicContact CG-CD1 4.41Å; K852-L856 WeakPolarHBondContact O-CG 3.25Å; K852-L856 PolarHBondContact O-N 3.25Å; K852-L856 VanDerWaalsContact O-N 3.17Å; K852-L875 VanDerWaalsContact CE-O 3.27Å; K852-L875 WeakPolarHBondContact CE-O 3.44Å; K852-L875 PolarHBondContact NZ-O 3.38Å
853	F	92.8	Very high	89.7	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-42.4	174.2	-84.3	-121.1	0	0	0	111.3	V837 L841 L849 A850 L856 R857 V858 L863 L866 L875 L886	V837-F853 HydrophobicContact CG1-CD1 3.99Å; L841-F853 HydrophobicContact CD1-CB 3.57Å; L841-F853 HydrophobicContact CD1-CD1 3.6Å; L841-F853 HydrophobicContact CD1-CD2 3.77Å; L841-F853 HydrophobicContact CD1-CE1 4.16Å; L841-F853 HydrophobicContact CD1-CE2 4.32Å; L841-F853 HydrophobicContact CD1-CG 3.37Å; L841-F853 HydrophobicContact CD1-CZ 4.5Å; L849-F853 HydrophobicContact CB-CD2 4.33Å; L849-F853 HydrophobicContact CB-CE2 4.34Å; L849-F853 WeakPolarHBondContact O-CD2 3.38Å; L849-F853 PolarHBondContact O-N 3.35Å; A850-F853 PolarHBondContact O-N 3.2Å; F853-L856 CarbonylContact O-C 3.57Å; F853-L856 PolarHBondContact O-N 3.01Å; F853-R857 PolarHBondContact O-N 2.93Å; F853-V858 HydrophobicContact CB-CB 4.24Å; F853-V858 HydrophobicContact CB-CG2 4.29Å; F853-V858 HydrophobicContact CD1-CB 3.71Å; F853-V858 HydrophobicContact CD1-CG1 3.67Å; F853-V858 HydrophobicContact CD1-CG2 3.89Å; F853-V858 HydrophobicContact CE1-CG1 4.08Å; F853-V858 HydrophobicContact CG-CB 4.3Å; F853-V858 HydrophobicContact CG-CG2 4.2Å; F853-V858 PolarHBondContact O-N 3.25Å; F853-V858 VanDerWaalsContact O-N 3.07Å; F853-L863 HydrophobicContact CE1-CD1 4.13Å; F853-L866 HydrophobicContact CE1-CD1 3.57Å; F853-L866 HydrophobicContact CZ-CD1 3.84Å; F853-L875 HydrophobicContact CD2-CD2 3.91Å; F853-L875 HydrophobicContact CE1-CD1 4.28Å; F853-L875 HydrophobicContact CE2-CD1 3.92Å; F853-L875 HydrophobicContact CE2-CD2 3.73Å; F853-L875 HydrophobicContact CE2-CG 4.42Å; F853-L875 HydrophobicContact CZ-CD1 3.65Å; F853-L875 HydrophobicContact CZ-CD2 4.25Å; F853-L886 HydrophobicContact CZ-CD2 4.15Å
854	S	90.8	Very high	90.4	Very high	28 Å²	28	57.4 Å²	57.4	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-45.9	176.2	-166.1	0	0	0	0	112.4	E838 A850 L856 R857	E838-S854 VanDerWaalsContact CD-CB 3.45Å; E838-S854 WeakPolarHBondContact OE2-CB 3.47Å; E838-S854 PolarHBondContact OE2-OG 3Å; A850-S854 WeakPolarHBondContact O-CB 3.38Å; A850-S854 PolarHBondContact O-N 3.32Å; S854-L856 VanDerWaalsContact C-N 3.29Å; S854-L856 PolarHBondContact O-N 3.13Å; S854-R857 WeakPolarHBondContact O-CA 3.3Å; S854-R857 PolarHBondContact O-N 3.11Å
855	K	90.8	Very high	90.8	Very high	166 Å²	166	58 Å²	58	72%	0.722	29%	0.292	S	S	*	.	H	α-helix	trans	-61	-33	173.6	-76.5	168.3	-169.6	154.4	0	114	S851 R857	S851-K855 WeakPolarHBondContact O-CD 3.43Å; S851-K855 WeakPolarHBondContact O-CG 3.31Å; K855-R857 VanDerWaalsContact C-N 3.31Å
856	L	92.2	Very high	91.2	Very high	96 Å²	96	56.8 Å²	56.8	50%	0.503	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.4	176.1	-69.4	168.8	0	0	0	112.8	K852 F853 S854 V858 L875	K852-L856 HydrophobicContact CG-CD1 4.41Å; K852-L856 WeakPolarHBondContact O-CG 3.25Å; K852-L856 PolarHBondContact O-N 3.25Å; K852-L856 VanDerWaalsContact O-N 3.17Å; F853-L856 CarbonylContact O-C 3.57Å; F853-L856 PolarHBondContact O-N 3.01Å; S854-L856 VanDerWaalsContact C-N 3.29Å; S854-L856 PolarHBondContact O-N 3.13Å; L856-V858 VanDerWaalsContact C-N 3.27Å; L856-V858 HydrophobicContact CB-CG2 4Å; L856-V858 PolarHBondContact O-N 3.13Å; L856-L875 HydrophobicContact CD1-CD2 3.49Å; L856-L875 VanDerWaalsContact CD1-CD2 3.49Å; L856-L875 HydrophobicContact CD1-CG 4.44Å
857	R	92.3	Very high	91.1	Very high	163 Å²	163	58.7 Å²	58.7	62%	0.615	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	44.5	-177	-54.1	-171.7	70.7	-144.1	-1.7	112.8	F853 S854 K855 D859	F853-R857 PolarHBondContact O-N 2.93Å; S854-R857 WeakPolarHBondContact O-CA 3.3Å; S854-R857 PolarHBondContact O-N 3.11Å; K855-R857 VanDerWaalsContact C-N 3.31Å; R857-D859 PolarHBondContact O-N 3.15Å; R857-D859 VanDerWaalsContact O-N 3.11Å
858	V	93.4	Very high	91.2	Very high	10 Å²	10	56.5 Å²	56.5	6%	0.061	28%	0.275	C	S	.	.			trans	-68.5	106.8	176.2	-177.9	0	0	0	0	108.9	Y834 V837 F853 L856 L862 L863	Y834-V858 WeakPolarHBondContact CA-O 3.46Å; V837-V858 WeakPolarHBondContact CB-O 3.44Å; V837-V858 HydrophobicContact CG1-CG1 4.43Å; V837-V858 WeakPolarHBondContact CG1-O 3.24Å; V837-V858 WeakPolarHBondContact CG2-O 3.29Å; F853-V858 HydrophobicContact CB-CB 4.24Å; F853-V858 HydrophobicContact CB-CG2 4.29Å; F853-V858 HydrophobicContact CD1-CB 3.71Å; F853-V858 HydrophobicContact CD1-CG1 3.67Å; F853-V858 HydrophobicContact CD1-CG2 3.89Å; F853-V858 HydrophobicContact CE1-CG1 4.08Å; F853-V858 HydrophobicContact CG-CB 4.3Å; F853-V858 HydrophobicContact CG-CG2 4.2Å; F853-V858 PolarHBondContact O-N 3.25Å; F853-V858 VanDerWaalsContact O-N 3.07Å; L856-V858 VanDerWaalsContact C-N 3.27Å; L856-V858 HydrophobicContact CB-CG2 4Å; L856-V858 PolarHBondContact O-N 3.13Å; V858-L862 HydrophobicContact CG1-CB 3.91Å; V858-L863 HydrophobicContact CG1-CB 4.25Å
859	D	93.2	Very high	91.1	Very high	57 Å²	57	55.3 Å²	55.3	31%	0.305	26%	0.263	S	S	.	.			trans	-86.5	-179.1	173.6	60.6	26.3	0	0	0	112	R857 D861 L862 L863	R857-D859 PolarHBondContact O-N 3.15Å; R857-D859 VanDerWaalsContact O-N 3.11Å; D859-D861 PolarHBondContact O-N 2.73Å; D859-D861 PolarHBondContact OD1-N 2.88Å; D859-L862 PolarHBondContact O-N 3.11Å; D859-L862 VanDerWaalsContact OD1-CB 3.29Å; D859-L862 WeakPolarHBondContact OD1-CB 3.44Å; D859-L862 VanDerWaalsContact OD1-CG 3.29Å; D859-L862 WeakPolarHBondContact OD1-CG 3.19Å; D859-L862 PolarHBondContact OD1-N 3.22Å; D859-L863 VanDerWaalsContact O-CB 3.26Å; D859-L863 WeakPolarHBondContact O-CB 3.38Å; D859-L863 PolarHBondContact O-N 2.9Å
860	G	92.7	Very high	91.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-39.7	179.5	0	0	0	0	0	114.6	V829 W832 L863 L864	V829-G860 VanDerWaalsContact O-CA 3.29Å; V829-G860 WeakPolarHBondContact O-CA 3.4Å; W832-G860 PolarHBondContact O-N 2.72Å; G860-L863 PolarHBondContact O-N 3.13Å; G860-L864 WeakPolarHBondContact O-CB 3.37Å; G860-L864 WeakPolarHBondContact O-CG 3.19Å; G860-L864 PolarHBondContact O-N 3.36Å
861	D	92.1	Very high	91.2	Very high	45 Å²	45	57.7 Å²	57.7	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-43.5	177.6	176.4	25.9	0	0	0	111	D859 R865 Y977	D859-D861 PolarHBondContact O-N 2.73Å; D859-D861 PolarHBondContact OD1-N 2.88Å; D861-R865 VanDerWaalsContact CG-NH1 3.29Å; D861-R865 VanDerWaalsContact O-CG 3.3Å; D861-R865 WeakPolarHBondContact O-CG 3.17Å; D861-R865 PolarHBondContact O-N 2.73Å; D861-R865 PolarHBondContact O-NE 2.8Å; D861-R865 WeakPolarHBondContact OD1-CD 3.5Å; D861-R865 IonicContact OD1-CZ 2.72Å; D861-R865 IonicContact OD1-NE 2.66Å; D861-R865 PolarHBondContact OD1-NE 3.29Å; D861-R865 IonicContact OD1-NH1 2.9Å; D861-R865 PolarHBondContact OD1-NH1 3.27Å; D861-R865 IonicContact OD1-NH2 2.86Å; D861-R865 PolarHBondContact OD1-NH2 2.72Å; D861-R865 IonicContact OD2-CZ 3.1Å; D861-R865 IonicContact OD2-NE 3.2Å; D861-R865 IonicContact OD2-NH1 3.31Å; D861-R865 PolarHBondContact OD2-NH1 3.4Å; D861-R865 IonicContact OD2-NH2 3.95Å; D861-R865 PolarHBondContact OD2-NH2 2.68Å; D861-Y977 WeakPolarHBondContact OD1-CE1 3.33Å; D861-Y977 PolarHBondContact OD1-OH 2.74Å
862	L	92.8	Very high	91.4	Very high	71 Å²	71	58.8 Å²	58.8	37%	0.372	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-46.5	171.8	-71.4	169.1	0	0	0	112.1	V858 D859 L864 R865 L866	V858-L862 HydrophobicContact CG1-CB 3.91Å; D859-L862 PolarHBondContact O-N 3.11Å; D859-L862 VanDerWaalsContact OD1-CB 3.29Å; D859-L862 WeakPolarHBondContact OD1-CB 3.44Å; D859-L862 VanDerWaalsContact OD1-CG 3.29Å; D859-L862 WeakPolarHBondContact OD1-CG 3.19Å; D859-L862 PolarHBondContact OD1-N 3.22Å; L862-L864 PolarHBondContact O-N 3.06Å; L862-R865 CarbonylContact O-C 3.52Å; L862-R865 PolarHBondContact O-N 3Å; L862-L866 PolarHBondContact O-N 3.29Å; L862-L866 VanDerWaalsContact O-N 3.16Å
863	L	94.6	Very high	91.3	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-48.5	178.6	178.1	65.5	0	0	0	111.4	W832 V837 W840 F853 V858 D859 G860 R865 L866 L890 L893	W832-L863 HydrophobicContact CE3-CD2 4.39Å; W832-L863 HydrophobicContact CZ3-CD2 4.33Å; V837-L863 HydrophobicContact CG1-CD1 4.48Å; V837-L863 HydrophobicContact CG1-CD2 4.19Å; V837-L863 HydrophobicContact CG2-CB 4.32Å; V837-L863 HydrophobicContact CG2-CD2 3.95Å; W840-L863 HydrophobicContact CE3-CD1 4.47Å; W840-L863 HydrophobicContact CE3-CD2 4.08Å; W840-L863 HydrophobicContact CZ3-CD1 4.02Å; W840-L863 HydrophobicContact CZ3-CD2 4.29Å; F853-L863 HydrophobicContact CE1-CD1 4.13Å; V858-L863 HydrophobicContact CG1-CB 4.25Å; D859-L863 VanDerWaalsContact O-CB 3.26Å; D859-L863 WeakPolarHBondContact O-CB 3.38Å; D859-L863 PolarHBondContact O-N 2.9Å; G860-L863 PolarHBondContact O-N 3.13Å; L863-R865 PolarHBondContact O-N 3.48Å; L863-L866 HydrophobicContact CD1-CD1 4.13Å; L863-L866 WeakPolarHBondContact O-CB 3.32Å; L863-L866 PolarHBondContact O-N 3Å; L863-L866 VanDerWaalsContact O-N 3.16Å; L863-L890 HydrophobicContact CD1-CD1 4.03Å; L863-L890 HydrophobicContact CG-CD1 3.88Å; L863-L893 HydrophobicContact CD2-CD2 3.76Å
864	L	93.2	Very high	90.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-20.1	178.4	-69.9	168.9	0	0	0	113	V829 P830 G860 L862 K894 Y899 Y977	V829-L864 HydrophobicContact CB-CD1 4.21Å; V829-L864 HydrophobicContact CG1-CD1 3.93Å; V829-L864 HydrophobicContact CG1-CD2 3.95Å; V829-L864 HydrophobicContact CG1-CG 3.9Å; P830-L864 HydrophobicContact CB-CD1 4.24Å; P830-L864 HydrophobicContact CG-CD1 3.76Å; G860-L864 WeakPolarHBondContact O-CB 3.37Å; G860-L864 WeakPolarHBondContact O-CG 3.19Å; G860-L864 PolarHBondContact O-N 3.36Å; L862-L864 PolarHBondContact O-N 3.06Å; L864-K894 HydrophobicContact CD2-CG 3.65Å; L864-K894 WeakPolarHBondContact O-CE 3.41Å; L864-K894 PolarHBondContact O-NZ 2.89Å; L864-Y899 HydrophobicContact CD1-CE1 4.28Å; L864-Y977 HydrophobicContact CB-CD1 3.43Å; L864-Y977 VanDerWaalsContact CB-CD1 3.43Å; L864-Y977 HydrophobicContact CB-CE1 3.86Å; L864-Y977 HydrophobicContact CB-CG 3.92Å; L864-Y977 HydrophobicContact CD1-CD1 4.07Å; L864-Y977 HydrophobicContact CD1-CD2 3.93Å; L864-Y977 HydrophobicContact CD1-CE1 4.23Å; L864-Y977 HydrophobicContact CD1-CE2 4.12Å; L864-Y977 HydrophobicContact CD1-CG 3.9Å; L864-Y977 HydrophobicContact CG-CD1 4.38Å; L864-Y977 HydrophobicContact CG-CG 4.46Å
865	R	90.9	Very high	90.7	Very high	90 Å²	90	65.3 Å²	65.3	34%	0.34	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	9.9	175.8	-63.8	174.1	-55.2	-165.7	0.2	113.9	D861 L862 L863 K870 Y977	D861-R865 VanDerWaalsContact CG-NH1 3.29Å; D861-R865 VanDerWaalsContact O-CG 3.3Å; D861-R865 WeakPolarHBondContact O-CG 3.17Å; D861-R865 PolarHBondContact O-N 2.73Å; D861-R865 PolarHBondContact O-NE 2.8Å; D861-R865 WeakPolarHBondContact OD1-CD 3.5Å; D861-R865 IonicContact OD1-CZ 2.72Å; D861-R865 IonicContact OD1-NE 2.66Å; D861-R865 PolarHBondContact OD1-NE 3.29Å; D861-R865 IonicContact OD1-NH1 2.9Å; D861-R865 PolarHBondContact OD1-NH1 3.27Å; D861-R865 IonicContact OD1-NH2 2.86Å; D861-R865 PolarHBondContact OD1-NH2 2.72Å; D861-R865 IonicContact OD2-CZ 3.1Å; D861-R865 IonicContact OD2-NE 3.2Å; D861-R865 IonicContact OD2-NH1 3.31Å; D861-R865 PolarHBondContact OD2-NH1 3.4Å; D861-R865 IonicContact OD2-NH2 3.95Å; D861-R865 PolarHBondContact OD2-NH2 2.68Å; L862-R865 CarbonylContact O-C 3.52Å; L862-R865 PolarHBondContact O-N 3Å; L863-R865 PolarHBondContact O-N 3.48Å; R865-K870 PolarHBondContact O-NZ 2.85Å; R865-Y977 HydrophobicContact CG-CD1 4.12Å; R865-Y977 HydrophobicContact CG-CE1 3.98Å
866	L	91.2	Very high	90.5	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.099	29%	0.286	C	S	.	.			trans	-70.4	142.4	169.5	-67.6	-178.1	0	0	0	111.5	F853 L862 L863 K870 L871 L875 L890	F853-L866 HydrophobicContact CE1-CD1 3.57Å; F853-L866 HydrophobicContact CZ-CD1 3.84Å; L862-L866 PolarHBondContact O-N 3.29Å; L862-L866 VanDerWaalsContact O-N 3.16Å; L863-L866 HydrophobicContact CD1-CD1 4.13Å; L863-L866 WeakPolarHBondContact O-CB 3.32Å; L863-L866 PolarHBondContact O-N 3Å; L863-L866 VanDerWaalsContact O-N 3.16Å; L866-K870 HydrophobicContact CD2-CB 4.02Å; L866-K870 HydrophobicContact CD2-CD 4.22Å; L866-L871 HydrophobicContact CB-CD2 4.46Å; L866-L871 HydrophobicContact CD1-CD2 3.93Å; L866-L875 HydrophobicContact CD1-CD1 3.9Å; L866-L875 HydrophobicContact CD2-CD1 3.94Å; L866-L890 HydrophobicContact CB-CD2 4.15Å
867	D	87.3	Confident	90.3	Very high	44 Å²	44	55.5 Å²	55.5	24%	0.235	27%	0.266	C	S	.	.			trans	-137.4	173.5	171.5	96.2	-50	0	0	0	109.1	F869 K870 L871 K1004	D867-F869 PolarHBondContact O-N 3.3Å; D867-F869 WeakPolarHBondContact OD1-CB 3.27Å; D867-F869 PolarHBondContact OD1-N 2.86Å; D867-K870 PolarHBondContact O-N 2.92Å; D867-K870 PolarHBondContact OD1-N 3.3Å; D867-L871 WeakPolarHBondContact O-CG 3.28Å; D867-L871 PolarHBondContact O-N 3.03Å; D867-K1004 IonicContact OD2-NZ 2.72Å; D867-K1004 PolarHBondContact OD2-NZ 3.35Å
868	E	88.5	Confident	90.1	Very high	85 Å²	85	56.1 Å²	56.1	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-35.4	-176.9	-164	-179.1	176.8	0	0	113.6	L871 E872 R883 L887	E868-L871 PolarHBondContact O-N 3.24Å; E868-E872 WeakPolarHBondContact O-CB 3.27Å; E868-E872 PolarHBondContact O-N 2.85Å; E868-R883 IonicContact OE1-CZ 2.65Å; E868-R883 VanDerWaalsContact OE1-CZ 3.31Å; E868-R883 IonicContact OE1-NE 2.74Å; E868-R883 PolarHBondContact OE1-NE 3.05Å; E868-R883 IonicContact OE1-NH2 3.61Å; E868-R883 PolarHBondContact OE1-NH2 2.86Å; E868-L887 HydrophobicContact CB-CD1 3.92Å; E868-L887 HydrophobicContact CG-CD1 4.2Å
869	F	87.9	Confident	90	Very high	121 Å²	121	59.9 Å²	59.9	53%	0.531	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-46.2	179	-179.6	-89.1	0	0	0	111.2	D867 L871 E872 K873	D867-F869 PolarHBondContact O-N 3.3Å; D867-F869 WeakPolarHBondContact OD1-CB 3.27Å; D867-F869 PolarHBondContact OD1-N 2.86Å; F869-L871 VanDerWaalsContact C-N 3.35Å; F869-L871 PolarHBondContact O-N 3.49Å; F869-E872 PolarHBondContact O-N 3.32Å; F869-K873 HydrophobicContact CD1-CG 4.26Å; F869-K873 HydrophobicContact CD2-CG 4.13Å; F869-K873 HydrophobicContact CE1-CB 4.3Å; F869-K873 HydrophobicContact CE1-CG 3.97Å; F869-K873 HydrophobicContact CE2-CG 3.85Å; F869-K873 HydrophobicContact CG-CG 4.34Å; F869-K873 HydrophobicContact CZ-CG 3.77Å; F869-K873 VanDerWaalsContact O-CB 3.32Å; F869-K873 WeakPolarHBondContact O-CB 3.31Å; F869-K873 PolarHBondContact O-N 3.15Å
870	K	89.8	Confident	89.8	Confident	76 Å²	76	58.4 Å²	58.4	33%	0.33	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-38.8	175.1	-64.9	177	-177	176	0	112.4	R865 L866 D867 D874 L875	R865-K870 PolarHBondContact O-NZ 2.85Å; L866-K870 HydrophobicContact CD2-CB 4.02Å; L866-K870 HydrophobicContact CD2-CD 4.22Å; D867-K870 PolarHBondContact O-N 2.92Å; D867-K870 PolarHBondContact OD1-N 3.3Å; K870-D874 WeakPolarHBondContact CA-OD2 3.43Å; K870-D874 WeakPolarHBondContact CG-OD2 3.5Å; K870-D874 WeakPolarHBondContact O-CB 3.49Å; K870-D874 PolarHBondContact O-N 3.22Å; K870-L875 PolarHBondContact O-N 3.33Å
871	L	90.2	Very high	89.7	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-43.4	175.1	-68.4	-177.3	0	0	0	111.7	L866 D867 E868 F869 L875 G876 L877 R883 L886 L887	L866-L871 HydrophobicContact CB-CD2 4.46Å; L866-L871 HydrophobicContact CD1-CD2 3.93Å; D867-L871 WeakPolarHBondContact O-CG 3.28Å; D867-L871 PolarHBondContact O-N 3.03Å; E868-L871 PolarHBondContact O-N 3.24Å; F869-L871 VanDerWaalsContact C-N 3.35Å; F869-L871 PolarHBondContact O-N 3.49Å; L871-L875 HydrophobicContact CD2-CD1 3.76Å; L871-L875 CarbonylContact O-C 3.45Å; L871-L875 WeakPolarHBondContact O-CB 3.43Å; L871-G876 PolarHBondContact O-N 2.82Å; L871-L877 HydrophobicContact CB-CD1 4.24Å; L871-L877 HydrophobicContact CD2-CD1 4.01Å; L871-L877 VanDerWaalsContact O-CB 3.27Å; L871-L877 WeakPolarHBondContact O-CB 3.29Å; L871-L877 PolarHBondContact O-N 2.68Å; L871-R883 HydrophobicContact CB-CG 4.13Å; L871-R883 HydrophobicContact CD1-CB 4.33Å; L871-L886 HydrophobicContact CD1-CD2 4.3Å; L871-L886 HydrophobicContact CD2-CD2 3.79Å; L871-L887 HydrophobicContact CD1-CD1 4.1Å; L871-L887 HydrophobicContact CD1-CD2 3.68Å; L871-L887 HydrophobicContact CD1-CG 3.61Å
872	E	91.9	Very high	89.7	Confident	77 Å²	77	64.9 Å²	64.9	36%	0.36	33%	0.329	S	S	.	.	H	α-helix	trans	-74	-50	179.4	-175.8	170.8	-104.3	0	0	113	E868 F869 G876 R883	E868-E872 WeakPolarHBondContact O-CB 3.27Å; E868-E872 PolarHBondContact O-N 2.85Å; F869-E872 PolarHBondContact O-N 3.32Å; E872-G876 VanDerWaalsContact O-CA 3.24Å; E872-G876 WeakPolarHBondContact O-CA 3.34Å; E872-G876 PolarHBondContact O-N 3.09Å; E872-R883 IonicContact OE1-CZ 3.6Å; E872-R883 IonicContact OE1-NH1 3.69Å; E872-R883 PolarHBondContact OE1-NH1 3.1Å; E872-R883 IonicContact OE1-NH2 2.8Å; E872-R883 PolarHBondContact OE1-NH2 3.09Å
873	K	88.6	Confident	89.7	Confident	133 Å²	133	62.4 Å²	62.4	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-82.9	-52.6	-170.9	-69.5	-70.4	-177.2	-177.2	0	113.6	F869	F869-K873 HydrophobicContact CD1-CG 4.26Å; F869-K873 HydrophobicContact CD2-CG 4.13Å; F869-K873 HydrophobicContact CE1-CB 4.3Å; F869-K873 HydrophobicContact CE1-CG 3.97Å; F869-K873 HydrophobicContact CE2-CG 3.85Å; F869-K873 HydrophobicContact CG-CG 4.34Å; F869-K873 HydrophobicContact CZ-CG 3.77Å; F869-K873 VanDerWaalsContact O-CB 3.32Å; F869-K873 WeakPolarHBondContact O-CB 3.31Å; F869-K873 PolarHBondContact O-N 3.15Å
874	D	85.4	Confident	89.4	Confident	110 Å²	110	65.7 Å²	65.7	59%	0.588	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-39.4	-168.7	-49.2	-37.9	0	0	0	110.4	K870	K870-D874 WeakPolarHBondContact CA-OD2 3.43Å; K870-D874 WeakPolarHBondContact CG-OD2 3.5Å; K870-D874 WeakPolarHBondContact O-CB 3.49Å; K870-D874 PolarHBondContact O-N 3.22Å
875	L	86.7	Confident	89.3	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.031	36%	0.356	C	S	.	.	S	Bend	trans	-91.4	-4	175.5	-76.9	159.6	0	0	0	113.6	K852 F853 L856 L866 K870 L871 L877	K852-L875 VanDerWaalsContact CE-O 3.27Å; K852-L875 WeakPolarHBondContact CE-O 3.44Å; K852-L875 PolarHBondContact NZ-O 3.38Å; F853-L875 HydrophobicContact CD2-CD2 3.91Å; F853-L875 HydrophobicContact CE1-CD1 4.28Å; F853-L875 HydrophobicContact CE2-CD1 3.92Å; F853-L875 HydrophobicContact CE2-CD2 3.73Å; F853-L875 HydrophobicContact CE2-CG 4.42Å; F853-L875 HydrophobicContact CZ-CD1 3.65Å; F853-L875 HydrophobicContact CZ-CD2 4.25Å; L856-L875 HydrophobicContact CD1-CD2 3.49Å; L856-L875 VanDerWaalsContact CD1-CD2 3.49Å; L856-L875 HydrophobicContact CD1-CG 4.44Å; L866-L875 HydrophobicContact CD1-CD1 3.9Å; L866-L875 HydrophobicContact CD2-CD1 3.94Å; K870-L875 PolarHBondContact O-N 3.33Å; L871-L875 HydrophobicContact CD2-CD1 3.76Å; L871-L875 CarbonylContact O-C 3.45Å; L871-L875 WeakPolarHBondContact O-CB 3.43Å; L875-L877 VanDerWaalsContact C-N 3.31Å; L875-L877 HydrophobicContact CB-CD1 4.33Å; L875-L877 HydrophobicContact CB-CG 4.28Å; L875-L877 PolarHBondContact O-N 3.32Å
876	G	85.9	Confident	89.3	Confident	39 Å²	39	66.3 Å²	66.3	40%	0.402	34%	0.341	S	S	.	.			trans	60	34.1	172	0	0	0	0	0	114.5	L871 E872 E878	L871-G876 PolarHBondContact O-N 2.82Å; E872-G876 VanDerWaalsContact O-CA 3.24Å; E872-G876 WeakPolarHBondContact O-CA 3.34Å; E872-G876 PolarHBondContact O-N 3.09Å; G876-E878 PolarHBondContact O-N 3.44Å
877	L	88.5	Confident	89.3	Confident	18 Å²	18	67.8 Å²	67.8	9%	0.094	35%	0.348	C	S	.	.			trans	-91.7	78	179.8	-59.7	172.6	0	0	0	110	L849 L871 L875 N879 R883 L886	L849-L877 HydrophobicContact CD1-CD1 4.08Å; L849-L877 HydrophobicContact CD1-CD2 3.97Å; L849-L877 HydrophobicContact CD2-CD2 3.63Å; L849-L877 HydrophobicContact CG-CD2 4.48Å; L871-L877 HydrophobicContact CB-CD1 4.24Å; L871-L877 HydrophobicContact CD2-CD1 4.01Å; L871-L877 VanDerWaalsContact O-CB 3.27Å; L871-L877 WeakPolarHBondContact O-CB 3.29Å; L871-L877 PolarHBondContact O-N 2.68Å; L875-L877 VanDerWaalsContact C-N 3.31Å; L875-L877 HydrophobicContact CB-CD1 4.33Å; L875-L877 HydrophobicContact CB-CG 4.28Å; L875-L877 PolarHBondContact O-N 3.32Å; L877-N879 PolarHBondContact O-N 3.2Å; L877-R883 HydrophobicContact CB-CG 3.87Å; L877-R883 VanDerWaalsContact O-CD 3.25Å; L877-R883 WeakPolarHBondContact O-CD 3.37Å; L877-R883 VanDerWaalsContact O-CG 3.3Å; L877-R883 WeakPolarHBondContact O-CG 3.17Å; L877-R883 PolarHBondContact O-NH1 2.94Å; L877-L886 HydrophobicContact CD1-CD2 4.12Å
878	E	88.1	Confident	89.3	Confident	175 Å²	175	72.1 Å²	72.1	82%	0.818	36%	0.361	S	S	*	.			trans	-62.1	-29.3	-178.5	-61.6	-177.6	172.7	0	0	113.1	G876 G880 R883	G876-E878 PolarHBondContact O-N 3.44Å; E878-G880 PolarHBondContact O-N 3.32Å; E878-G880 VanDerWaalsContact O-N 3.09Å; E878-R883 PolarHBondContact O-NH1 3.11Å
879	N	90.8	Very high	89.4	Confident	89 Å²	89	69.5 Å²	69.5	48%	0.476	35%	0.349	S	S	.	.			trans	-74.9	101.3	178.8	-173.9	-23.3	0	0	0	111.4	L877 I881 T882 R883	L877-N879 PolarHBondContact O-N 3.2Å; N879-I881 PolarHBondContact O-N 2.85Å; N879-I881 WeakPolarHBondContact OD1-CA 3.32Å; N879-I881 WeakPolarHBondContact OD1-CB 3.18Å; N879-I881 PolarHBondContact OD1-N 3.33Å; N879-T882 PolarHBondContact ND2-OG1 3.32Å; N879-T882 WeakPolarHBondContact O-CB 3.41Å; N879-T882 PolarHBondContact O-N 2.91Å; N879-T882 PolarHBondContact OD1-N 3.26Å; N879-R883 PolarHBondContact O-N 2.83Å
880	G	89.2	Confident	89.5	Confident	27 Å²	27	64 Å²	64	28%	0.278	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-25.4	177.6	0	0	0	0	0	115.2	E878 S884	E878-G880 PolarHBondContact O-N 3.32Å; E878-G880 VanDerWaalsContact O-N 3.09Å; G880-S884 VanDerWaalsContact O-CB 3.28Å; G880-S884 WeakPolarHBondContact O-CB 3.33Å; G880-S884 PolarHBondContact O-N 3.3Å; G880-S884 PolarHBondContact O-OG 3.3Å
881	I	91.3	Very high	89.5	Confident	136 Å²	136	61.2 Å²	61.2	70%	0.697	32%	0.315	S	S	*	.	H	α-helix	trans	-71.3	-43.9	173.3	-54.5	177.8	0	0	0	109.7	N879 S884 R885	N879-I881 PolarHBondContact O-N 2.85Å; N879-I881 WeakPolarHBondContact OD1-CA 3.32Å; N879-I881 WeakPolarHBondContact OD1-CB 3.18Å; N879-I881 PolarHBondContact OD1-N 3.33Å; I881-S884 PolarHBondContact O-N 3.32Å; I881-R885 PolarHBondContact O-N 2.94Å
882	T	90	Very high	89.3	Confident	44 Å²	44	62.7 Å²	62.7	27%	0.27	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-42.3	175.1	-52.5	0	0	0	0	111.3	F846 N879 R885 L886	F846-T882 HydrophobicContact CE1-CG2 4.22Å; N879-T882 PolarHBondContact ND2-OG1 3.32Å; N879-T882 WeakPolarHBondContact O-CB 3.41Å; N879-T882 PolarHBondContact O-N 2.91Å; N879-T882 PolarHBondContact OD1-N 3.26Å; T882-R885 PolarHBondContact O-N 3.43Å; T882-L886 WeakPolarHBondContact O-CB 3.16Å; T882-L886 PolarHBondContact O-N 3.29Å
883	R	92.9	Very high	89.2	Confident	19 Å²	19	60 Å²	60	7%	0.072	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-48.2	171.6	-65.1	-162.8	-60.3	-114.8	23.8	111.8	E868 L871 E872 L877 E878 N879 R885 L886 L887	E868-R883 IonicContact OE1-CZ 2.65Å; E868-R883 VanDerWaalsContact OE1-CZ 3.31Å; E868-R883 IonicContact OE1-NE 2.74Å; E868-R883 PolarHBondContact OE1-NE 3.05Å; E868-R883 IonicContact OE1-NH2 3.61Å; E868-R883 PolarHBondContact OE1-NH2 2.86Å; L871-R883 HydrophobicContact CB-CG 4.13Å; L871-R883 HydrophobicContact CD1-CB 4.33Å; E872-R883 IonicContact OE1-CZ 3.6Å; E872-R883 IonicContact OE1-NH1 3.69Å; E872-R883 PolarHBondContact OE1-NH1 3.1Å; E872-R883 IonicContact OE1-NH2 2.8Å; E872-R883 PolarHBondContact OE1-NH2 3.09Å; L877-R883 HydrophobicContact CB-CG 3.87Å; L877-R883 VanDerWaalsContact O-CD 3.25Å; L877-R883 WeakPolarHBondContact O-CD 3.37Å; L877-R883 VanDerWaalsContact O-CG 3.3Å; L877-R883 WeakPolarHBondContact O-CG 3.17Å; L877-R883 PolarHBondContact O-NH1 2.94Å; E878-R883 PolarHBondContact O-NH1 3.11Å; N879-R883 PolarHBondContact O-N 2.83Å; R883-R885 VanDerWaalsContact C-N 3.35Å; R883-R885 PolarHBondContact O-N 2.87Å; R883-L886 PolarHBondContact O-N 3.03Å; R883-L887 WeakPolarHBondContact O-CB 3.47Å; R883-L887 WeakPolarHBondContact O-CG 3.48Å; R883-L887 PolarHBondContact O-N 3.21Å
884	S	88.7	Confident	89.3	Confident	71 Å²	71	54.7 Å²	54.7	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-41.6	-179.7	-62.3	0	0	0	0	112.2	G880 I881 R888	G880-S884 VanDerWaalsContact O-CB 3.28Å; G880-S884 WeakPolarHBondContact O-CB 3.33Å; G880-S884 PolarHBondContact O-N 3.3Å; G880-S884 PolarHBondContact O-OG 3.3Å; I881-S884 PolarHBondContact O-N 3.32Å; S884-R888 PolarHBondContact O-N 2.92Å
885	R	90.6	Very high	89.3	Confident	99 Å²	99	50.2 Å²	50.2	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-46.7	173.9	-163.7	-175.8	70.8	151.5	3.6	110.7	G845 F846 I881 T882 R883 R888 E889	G845-R885 PolarHBondContact O-NH2 2.81Å; F846-R885 HydrophobicContact CE1-CB 4.46Å; F846-R885 HydrophobicContact CZ-CB 3.98Å; F846-R885 HydrophobicContact CZ-CG 3.85Å; F846-R885 VanDerWaalsContact CZ-NH2 3.32Å; I881-R885 PolarHBondContact O-N 2.94Å; T882-R885 PolarHBondContact O-N 3.43Å; R883-R885 VanDerWaalsContact C-N 3.35Å; R883-R885 PolarHBondContact O-N 2.87Å; R885-R888 WeakPolarHBondContact O-CB 3.38Å; R885-R888 PolarHBondContact O-N 2.75Å; R885-E889 PolarHBondContact O-N 2.72Å; R885-E889 VanDerWaalsContact O-N 3.11Å
886	L	92.6	Very high	89.1	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-40.7	-178.8	-175.7	58.2	0	0	0	112.1	W840 L841 F846 L849 F853 L871 L877 T882 R883 R888 E889 L890	W840-L886 HydrophobicContact CH2-CD1 4.17Å; W840-L886 HydrophobicContact CZ3-CD1 4.09Å; L841-L886 HydrophobicContact CD2-CD1 3.81Å; F846-L886 HydrophobicContact CD1-CB 4.49Å; F846-L886 HydrophobicContact CD1-CD1 4.25Å; F846-L886 HydrophobicContact CD2-CD1 4.12Å; F846-L886 HydrophobicContact CE1-CB 3.7Å; F846-L886 HydrophobicContact CE1-CD1 4.12Å; F846-L886 HydrophobicContact CE1-CG 4.4Å; F846-L886 HydrophobicContact CE2-CD1 4Å; F846-L886 HydrophobicContact CG-CD1 4.25Å; F846-L886 VanDerWaalsContact CZ-CA 3.44Å; F846-L886 HydrophobicContact CZ-CB 3.74Å; F846-L886 HydrophobicContact CZ-CD1 3.98Å; F846-L886 HydrophobicContact CZ-CG 4.46Å; L849-L886 HydrophobicContact CD1-CD2 4.2Å; F853-L886 HydrophobicContact CZ-CD2 4.15Å; L871-L886 HydrophobicContact CD1-CD2 4.3Å; L871-L886 HydrophobicContact CD2-CD2 3.79Å; L877-L886 HydrophobicContact CD1-CD2 4.12Å; T882-L886 WeakPolarHBondContact O-CB 3.16Å; T882-L886 PolarHBondContact O-N 3.29Å; R883-L886 PolarHBondContact O-N 3.03Å; L886-R888 VanDerWaalsContact C-N 3.31Å; L886-R888 PolarHBondContact O-N 2.97Å; L886-E889 PolarHBondContact O-N 3.09Å; L886-L890 VanDerWaalsContact O-CB 3.27Å; L886-L890 WeakPolarHBondContact O-CB 3.44Å; L886-L890 PolarHBondContact O-N 2.79Å
887	L	90.7	Very high	89.2	Confident	49 Å²	49	52.9 Å²	52.9	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-65.8	-31.9	175.6	-71.3	169.9	0	0	0	112.6	E868 L871 R883 C891	E868-L887 HydrophobicContact CB-CD1 3.92Å; E868-L887 HydrophobicContact CG-CD1 4.2Å; L871-L887 HydrophobicContact CD1-CD1 4.1Å; L871-L887 HydrophobicContact CD1-CD2 3.68Å; L871-L887 HydrophobicContact CD1-CG 3.61Å; R883-L887 WeakPolarHBondContact O-CB 3.47Å; R883-L887 WeakPolarHBondContact O-CG 3.48Å; R883-L887 PolarHBondContact O-N 3.21Å; L887-C891 VanDerWaalsContact O-CB 3.29Å; L887-C891 WeakPolarHBondContact O-CB 3.37Å; L887-C891 PolarHBondContact O-N 3.38Å
888	R	87.8	Confident	89.1	Confident	135 Å²	135	54.7 Å²	54.7	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-49	172.2	-173	-171.7	68.2	-168.6	3.1	111.5	S884 R885 L886 L890 C891 S892	S884-R888 PolarHBondContact O-N 2.92Å; R885-R888 WeakPolarHBondContact O-CB 3.38Å; R885-R888 PolarHBondContact O-N 2.75Å; L886-R888 VanDerWaalsContact C-N 3.31Å; L886-R888 PolarHBondContact O-N 2.97Å; R888-L890 VanDerWaalsContact C-N 3.31Å; R888-L890 PolarHBondContact O-N 2.8Å; R888-C891 WeakPolarHBondContact O-CB 3.41Å; R888-C891 PolarHBondContact O-N 2.73Å; R888-S892 PolarHBondContact O-N 2.77Å
889	E	89	Confident	89.2	Confident	31 Å²	31	46.6 Å²	46.6	15%	0.145	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-37	177.6	-56.1	-40.4	129.2	0	0	111.7	W840 R844 F846 R885 L886 S892 L893	W840-E889 HydrophobicContact CH2-CB 4.22Å; W840-E889 HydrophobicContact CZ2-CB 4.01Å; R844-E889 HydrophobicContact CB-CG 4.37Å; R844-E889 HydrophobicContact CG-CB 4.42Å; F846-E889 HydrophobicContact CE2-CG 4Å; R885-E889 PolarHBondContact O-N 2.72Å; R885-E889 VanDerWaalsContact O-N 3.11Å; L886-E889 PolarHBondContact O-N 3.09Å; E889-S892 WeakPolarHBondContact O-CB 3.08Å; E889-S892 PolarHBondContact O-N 3.1Å; E889-L893 PolarHBondContact O-N 3.37Å
890	L	91.2	Very high	88.8	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-35.5	173.2	-178.1	60	0	0	0	112.4	W840 L863 L866 L886 R888 L893 K894	W840-L890 HydrophobicContact CH2-CB 4.27Å; L863-L890 HydrophobicContact CD1-CD1 4.03Å; L863-L890 HydrophobicContact CG-CD1 3.88Å; L866-L890 HydrophobicContact CB-CD2 4.15Å; L886-L890 VanDerWaalsContact O-CB 3.27Å; L886-L890 WeakPolarHBondContact O-CB 3.44Å; L886-L890 PolarHBondContact O-N 2.79Å; R888-L890 VanDerWaalsContact C-N 3.31Å; R888-L890 PolarHBondContact O-N 2.8Å; L890-L893 HydrophobicContact CD1-CD2 4.31Å; L890-L893 PolarHBondContact O-N 3.34Å; L890-K894 HydrophobicContact CD1-CG 4.5Å; L890-K894 HydrophobicContact CG-CD 4.38Å; L890-K894 WeakPolarHBondContact O-CB 3.28Å; L890-K894 VanDerWaalsContact O-CG 3.27Å; L890-K894 WeakPolarHBondContact O-CG 3.49Å; L890-K894 PolarHBondContact O-N 3.33Å
891	C	89.9	Confident	88.6	Confident	17 Å²	17	47.1 Å²	47.1	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-45.5	171.5	-174.2	0	0	0	0	110.8	L887 R888 L893 K894 I895	L887-C891 VanDerWaalsContact O-CB 3.29Å; L887-C891 WeakPolarHBondContact O-CB 3.37Å; L887-C891 PolarHBondContact O-N 3.38Å; R888-C891 WeakPolarHBondContact O-CB 3.41Å; R888-C891 PolarHBondContact O-N 2.73Å; C891-L893 VanDerWaalsContact C-N 3.33Å; C891-L893 PolarHBondContact O-N 3.03Å; C891-K894 PolarHBondContact O-N 3.35Å; C891-I895 WeakPolarHBondContact O-CG1 3.43Å; C891-I895 PolarHBondContact O-N 3.34Å
892	S	85.2	Confident	88.4	Confident	31 Å²	31	42.6 Å²	42.6	22%	0.217	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-43.3	173.6	-161	0	0	0	0	112.1	R888 E889 N896 Q968	R888-S892 PolarHBondContact O-N 2.77Å; E889-S892 WeakPolarHBondContact O-CB 3.08Å; E889-S892 PolarHBondContact O-N 3.1Å; S892-N896 PolarHBondContact O-N 3.3Å; S892-N896 PolarHBondContact O-ND2 2.73Å; S892-Q968 PolarHBondContact OG-NE2 3.39Å
893	L	89.1	Confident	88.3	Confident	21 Å²	21	41 Å²	41	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-46.9	174.6	-175	64.7	0	0	0	111.6	V829 W832 W840 L863 E889 L890 C891 I895 N896 A897	V829-L893 HydrophobicContact CG1-CD2 3.85Å; V829-L893 HydrophobicContact CG1-CG 4.21Å; V829-L893 HydrophobicContact CG2-CD1 3.7Å; V829-L893 HydrophobicContact CG2-CD2 4.44Å; V829-L893 HydrophobicContact CG2-CG 4.02Å; W832-L893 HydrophobicContact CH2-CD1 3.67Å; W832-L893 HydrophobicContact CH2-CD2 4.15Å; W832-L893 HydrophobicContact CZ2-CD1 4.3Å; W832-L893 HydrophobicContact CZ3-CD1 4.32Å; W832-L893 HydrophobicContact CZ3-CD2 3.94Å; W840-L893 HydrophobicContact CD2-CD2 4.14Å; W840-L893 HydrophobicContact CZ2-CB 4.03Å; W840-L893 HydrophobicContact CZ2-CD2 3.97Å; L863-L893 HydrophobicContact CD2-CD2 3.76Å; E889-L893 PolarHBondContact O-N 3.37Å; L890-L893 HydrophobicContact CD1-CD2 4.31Å; L890-L893 PolarHBondContact O-N 3.34Å; C891-L893 VanDerWaalsContact C-N 3.33Å; C891-L893 PolarHBondContact O-N 3.03Å; L893-I895 VanDerWaalsContact C-N 3.31Å; L893-I895 PolarHBondContact O-N 3.32Å; L893-N896 PolarHBondContact O-N 3.48Å; L893-A897 WeakPolarHBondContact O-CB 3.36Å; L893-A897 PolarHBondContact O-N 2.67Å
894	K	90.9	Very high	87.6	Confident	22 Å²	22	44.6 Å²	44.6	10%	0.096	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-32.5	-179.1	-77.7	176.3	170.3	-159.6	0	114.1	L864 L890 C891 Y899 Q974	L864-K894 HydrophobicContact CD2-CG 3.65Å; L864-K894 WeakPolarHBondContact O-CE 3.41Å; L864-K894 PolarHBondContact O-NZ 2.89Å; L890-K894 HydrophobicContact CD1-CG 4.5Å; L890-K894 HydrophobicContact CG-CD 4.38Å; L890-K894 WeakPolarHBondContact O-CB 3.28Å; L890-K894 VanDerWaalsContact O-CG 3.27Å; L890-K894 WeakPolarHBondContact O-CG 3.49Å; L890-K894 PolarHBondContact O-N 3.33Å; C891-K894 PolarHBondContact O-N 3.35Å; K894-Y899 WeakPolarHBondContact CA-OH 3.32Å; K894-Y899 WeakPolarHBondContact O-CE2 3.35Å; K894-Y899 PolarHBondContact O-OH 2.95Å; K894-Q974 HydrophobicContact CB-CB 4.41Å
895	I	85.8	Confident	87.2	Confident	16 Å²	16	43.5 Å²	43.5	8%	0.082	24%	0.239	C	C	.	.	H	α-helix	trans	-73.1	-36.3	177	-68.6	164	0	0	0	111.4	C891 L893 Q968 D971 L973 Q974	C891-I895 WeakPolarHBondContact O-CG1 3.43Å; C891-I895 PolarHBondContact O-N 3.34Å; L893-I895 VanDerWaalsContact C-N 3.31Å; L893-I895 PolarHBondContact O-N 3.32Å; I895-Q968 HydrophobicContact CD1-CB 4.45Å; I895-Q968 HydrophobicContact CD1-CG 4.38Å; I895-D971 HydrophobicContact CD1-CB 4.11Å; I895-D971 HydrophobicContact CG1-CB 4.46Å; I895-L973 HydrophobicContact CG1-CB 4.35Å; I895-L973 HydrophobicContact CG2-CB 4.33Å; I895-L973 HydrophobicContact CG2-CD1 4.32Å; I895-Q974 HydrophobicContact CD1-CB 4.48Å; I895-Q974 HydrophobicContact CG1-CB 3.98Å
896	N	83.2	Confident	86.9	Confident	93 Å²	93	40 Å²	40	50%	0.497	23%	0.233	S	C	.	.	H	α-helix	trans	-95.6	-9.6	-173.7	-70.1	-75.7	0	0	0	114.8	S892 L893	S892-N896 PolarHBondContact O-N 3.3Å; S892-N896 PolarHBondContact O-ND2 2.73Å; L893-N896 PolarHBondContact O-N 3.48Å
897	A	87.7	Confident	86.6	Confident	8 Å²	8	39.8 Å²	39.8	7%	0.066	23%	0.232	C	C	.	.			trans	-65.3	142.6	179.6	0	0	0	0	0	112.9	V829 L893 Y899	V829-A897 HydrophobicContact CB-CB 3.95Å; V829-A897 HydrophobicContact CG2-CB 3.52Å; L893-A897 WeakPolarHBondContact O-CB 3.36Å; L893-A897 PolarHBondContact O-N 2.67Å; A897-Y899 HydrophobicContact CB-CD2 4.41Å; A897-Y899 HydrophobicContact CB-CE1 4.29Å; A897-Y899 HydrophobicContact CB-CE2 3.76Å; A897-Y899 VanDerWaalsContact O-CD2 3.31Å; A897-Y899 WeakPolarHBondContact O-CD2 3.46Å; A897-Y899 WeakPolarHBondContact O-CE2 3.35Å
898	D	85.9	Confident	86.5	Confident	55 Å²	55	38.5 Å²	38.5	29%	0.294	23%	0.228	S	C	.	.			trans	-80.5	128.6	163.3	-180	28.4	0	0	0	110.1	A827 Q828 S900	A827-D898 HydrophobicContact CB-CB 3.89Å; A827-D898 PolarHBondContact O-N 3.44Å; Q828-D898 HydrophobicContact CG-CB 3.89Å; Q828-D898 WeakPolarHBondContact CG-OD2 3.33Å; Q828-D898 PolarHBondContact NE2-OD2 2.98Å; D898-S900 VanDerWaalsContact CG-OG 3.28Å; D898-S900 WeakPolarHBondContact OD1-CB 3.36Å; D898-S900 PolarHBondContact OD1-N 2.71Å; D898-S900 PolarHBondContact OD1-OG 2.89Å; D898-S900 PolarHBondContact OD2-OG 3.19Å
899	Y	89.9	Confident	86.4	Confident	5 Å²	5	34 Å²	34	2%	0.02	22%	0.219	C	C	.	.			trans	-111	5.5	177.6	-63.2	-79.1	0	0	0	112.4	P830 L864 K894 A897 A901 V902 D903 T976 Y977 I980	P830-Y899 HydrophobicContact CG-CD1 3.69Å; P830-Y899 HydrophobicContact CG-CE1 3.99Å; L864-Y899 HydrophobicContact CD1-CE1 4.28Å; K894-Y899 WeakPolarHBondContact CA-OH 3.32Å; K894-Y899 WeakPolarHBondContact O-CE2 3.35Å; K894-Y899 PolarHBondContact O-OH 2.95Å; A897-Y899 HydrophobicContact CB-CD2 4.41Å; A897-Y899 HydrophobicContact CB-CE1 4.29Å; A897-Y899 HydrophobicContact CB-CE2 3.76Å; A897-Y899 VanDerWaalsContact O-CD2 3.31Å; A897-Y899 WeakPolarHBondContact O-CD2 3.46Å; A897-Y899 WeakPolarHBondContact O-CE2 3.35Å; Y899-A901 PolarHBondContact O-N 3.36Å; Y899-A901 VanDerWaalsContact O-N 3.09Å; Y899-V902 HydrophobicContact CD1-CG2 4.16Å; Y899-V902 CarbonylContact O-C 3.59Å; Y899-V902 VanDerWaalsContact O-CG2 3.26Å; Y899-V902 WeakPolarHBondContact O-CG2 3.16Å; Y899-V902 PolarHBondContact O-N 2.72Å; Y899-D903 WeakPolarHBondContact O-CB 3.32Å; Y899-D903 PolarHBondContact O-N 3.27Å; Y899-T976 HydrophobicContact CD1-CG2 4.12Å; Y899-T976 HydrophobicContact CD2-CG2 3.4Å; Y899-T976 HydrophobicContact CE1-CG2 4.44Å; Y899-T976 HydrophobicContact CE2-CG2 3.74Å; Y899-T976 HydrophobicContact CG-CG2 3.58Å; Y899-Y977 AromaticContact CD1-CD2 3.85Å; Y899-Y977 HydrophobicContact CD1-CD2 3.85Å; Y899-Y977 AromaticContact CE1-CD2 3.65Å; Y899-Y977 HydrophobicContact CE1-CD2 3.65Å; Y899-Y977 HydrophobicContact CE1-CG 4.1Å; Y899-I980 HydrophobicContact CD1-CD1 4.36Å; Y899-I980 HydrophobicContact CG-CD1 4.49Å
900	S	84.3	Confident	86.4	Confident	69 Å²	69	34.3 Å²	34.3	48%	0.483	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-34.6	-175.1	66.4	0	0	0	0	114.5	Q828 D898 V902	Q828-S900 PolarHBondContact NE2-OG 3.18Å; Q828-S900 VanDerWaalsContact NE2-OG 3.16Å; D898-S900 VanDerWaalsContact CG-OG 3.28Å; D898-S900 WeakPolarHBondContact OD1-CB 3.36Å; D898-S900 PolarHBondContact OD1-N 2.71Å; D898-S900 PolarHBondContact OD1-OG 2.89Å; D898-S900 PolarHBondContact OD2-OG 3.19Å; S900-V902 VanDerWaalsContact C-N 3.28Å; S900-V902 PolarHBondContact O-N 3.33Å
901	A	84.5	Confident	86.4	Confident	59 Å²	59	34 Å²	34	49%	0.488	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.5	176.3	0	0	0	0	0	114.3	L831 Y899	L831-A901 HydrophobicContact CD1-CB 3.96Å; L831-A901 HydrophobicContact CG-CB 4.36Å; Y899-A901 PolarHBondContact O-N 3.36Å; Y899-A901 VanDerWaalsContact O-N 3.09Å
902	V	87.1	Confident	86.2	Confident	40 Å²	40	38.7 Å²	38.7	24%	0.242	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-8.2	-173.9	-66.4	0	0	0	0	114	P830 Y899 S900 P904 Y977 I980	P830-V902 HydrophobicContact CB-CG1 4.08Å; P830-V902 HydrophobicContact CB-CG2 4.11Å; P830-V902 HydrophobicContact CG-CG2 3.87Å; Y899-V902 HydrophobicContact CD1-CG2 4.16Å; Y899-V902 CarbonylContact O-C 3.59Å; Y899-V902 VanDerWaalsContact O-CG2 3.26Å; Y899-V902 WeakPolarHBondContact O-CG2 3.16Å; Y899-V902 PolarHBondContact O-N 2.72Å; S900-V902 VanDerWaalsContact C-N 3.28Å; S900-V902 PolarHBondContact O-N 3.33Å; V902-P904 VanDerWaalsContact C-CD 3.43Å; V902-P904 WeakPolarHBondContact O-CD 3.4Å; V902-Y977 HydrophobicContact CG2-CE2 4.2Å; V902-I980 HydrophobicContact CB-CG2 4.25Å; V902-I980 HydrophobicContact CG2-CD1 4.06Å; V902-I980 HydrophobicContact CG2-CG2 4.49Å
903	D	87.1	Confident	86	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.064	24%	0.238	C	C	.	.			trans	-112.2	76.3	179	-177.7	13.1	0	0	0	111.9	Y899 T905 G906 I907 S908 I980	Y899-D903 WeakPolarHBondContact O-CB 3.32Å; Y899-D903 PolarHBondContact O-N 3.27Å; D903-T905 PolarHBondContact O-N 3.39Å; D903-T905 PolarHBondContact OD1-N 3.32Å; D903-T905 PolarHBondContact OD1-OG1 3.01Å; D903-G906 WeakPolarHBondContact OD1-CA 3.36Å; D903-G906 PolarHBondContact OD1-N 3.47Å; D903-G906 VanDerWaalsContact OD2-C 3.22Å; D903-G906 VanDerWaalsContact OD2-CA 3.27Å; D903-G906 WeakPolarHBondContact OD2-CA 3.18Å; D903-I907 VanDerWaalsContact CG-N 3.26Å; D903-I907 PolarHBondContact OD1-N 3.29Å; D903-I907 PolarHBondContact OD2-N 2.94Å; D903-S908 WeakPolarHBondContact OD2-CB 3.35Å; D903-S908 PolarHBondContact OD2-N 3.3Å; D903-S908 PolarHBondContact OD2-OG 3.44Å; D903-I980 HydrophobicContact CB-CD1 3.86Å
904	P	78.8	Confident	85.9	Confident	94 Å²	94	39.7 Å²	39.7	61%	0.61	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	2	177.9	31.2	-36.8	0	0	0	113.8	V902	V902-P904 VanDerWaalsContact C-CD 3.43Å; V902-P904 WeakPolarHBondContact O-CD 3.4Å
905	T	79.5	Confident	85.7	Confident	47 Å²	47	38.6 Å²	38.6	29%	0.288	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-7.1	-173.2	58.9	0	0	0	0	115.3	D903 H985 C986	D903-T905 PolarHBondContact O-N 3.39Å; D903-T905 PolarHBondContact OD1-N 3.32Å; D903-T905 PolarHBondContact OD1-OG1 3.01Å; T905-H985 HydrophobicContact CG2-CB 3.81Å; T905-H985 PolarHBondContact OG1-ND1 2.98Å; T905-C986 PolarHBondContact O-SG 2.81Å
906	G	83.7	Confident	85.3	Confident	26 Å²	26	43.4 Å²	43.4	27%	0.268	25%	0.246	S	C	.	.			trans	75.1	31.4	-178.8	0	0	0	0	0	114.5	D903 S908 A909 W910	D903-G906 WeakPolarHBondContact OD1-CA 3.36Å; D903-G906 PolarHBondContact OD1-N 3.47Å; D903-G906 VanDerWaalsContact OD2-C 3.22Å; D903-G906 VanDerWaalsContact OD2-CA 3.27Å; D903-G906 WeakPolarHBondContact OD2-CA 3.18Å; G906-S908 PolarHBondContact O-N 2.79Å; G906-A909 PolarHBondContact O-N 3Å; G906-A909 VanDerWaalsContact O-N 3.16Å; G906-W910 PolarHBondContact O-N 3.03Å
907	I	88.2	Confident	84.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-32	175.1	-159.4	65.7	0	0	0	111.6	D903 W910 L911 T976 F979 I980 L989	D903-I907 VanDerWaalsContact CG-N 3.26Å; D903-I907 PolarHBondContact OD1-N 3.29Å; D903-I907 PolarHBondContact OD2-N 2.94Å; I907-W910 HydrophobicContact CD1-CE3 4.19Å; I907-W910 PolarHBondContact O-N 3.05Å; I907-L911 WeakPolarHBondContact O-CB 3.34Å; I907-L911 WeakPolarHBondContact O-CG 3.48Å; I907-L911 PolarHBondContact O-N 2.75Å; I907-T976 HydrophobicContact CG2-CG2 4.33Å; I907-F979 HydrophobicContact CD1-CD1 3.99Å; I907-F979 HydrophobicContact CD1-CE1 4.42Å; I907-F979 HydrophobicContact CG1-CB 4.12Å; I907-F979 HydrophobicContact CG1-CD1 3.83Å; I907-F979 HydrophobicContact CG1-CG 4.22Å; I907-I980 HydrophobicContact CG2-CD1 4.07Å; I907-I980 HydrophobicContact CG2-CG1 3.72Å; I907-L989 HydrophobicContact CD1-CD1 4.01Å; I907-L989 HydrophobicContact CD1-CD2 3.86Å; I907-L989 HydrophobicContact CD1-CG 4.03Å
908	S	88.1	Confident	84.3	Confident	22 Å²	22	40.1 Å²	40.1	15%	0.154	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-47.6	171.1	57.8	0	0	0	0	112.3	D903 G906 W910 L911 R912 L973	D903-S908 WeakPolarHBondContact OD2-CB 3.35Å; D903-S908 PolarHBondContact OD2-N 3.3Å; D903-S908 PolarHBondContact OD2-OG 3.44Å; G906-S908 PolarHBondContact O-N 2.79Å; S908-W910 VanDerWaalsContact C-N 3.35Å; S908-L911 PolarHBondContact O-N 3.2Å; S908-R912 PolarHBondContact O-N 2.8Å; S908-L973 VanDerWaalsContact O-CD2 3.31Å; S908-L973 WeakPolarHBondContact O-CD2 3.47Å
909	A	85.4	Confident	83.5	Confident	39 Å²	39	38.9 Å²	38.9	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-66.9	-36.5	176.5	0	0	0	0	0	111.8	G906 R912 E913	G906-A909 PolarHBondContact O-N 3Å; G906-A909 VanDerWaalsContact O-N 3.16Å; A909-R912 WeakPolarHBondContact O-CB 3.39Å; A909-R912 PolarHBondContact O-N 3.36Å; A909-E913 PolarHBondContact O-N 3.03Å; A909-E913 VanDerWaalsContact O-N 3.11Å
910	W	89.7	Confident	81.8	Confident	39 Å²	39	43 Å²	43	15%	0.148	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-42.5	173.4	-178.3	83	0	0	0	112.3	G906 I907 S908 R912 E913 A914 L989 I1012 A1015 I1016	G906-W910 PolarHBondContact O-N 3.03Å; I907-W910 HydrophobicContact CD1-CE3 4.19Å; I907-W910 PolarHBondContact O-N 3.05Å; S908-W910 VanDerWaalsContact C-N 3.35Å; W910-R912 VanDerWaalsContact C-N 3.33Å; W910-R912 PolarHBondContact O-N 3.13Å; W910-E913 PolarHBondContact O-N 2.73Å; W910-A914 HydrophobicContact CE3-CB 4.45Å; W910-A914 HydrophobicContact CH2-CB 3.92Å; W910-A914 HydrophobicContact CZ2-CB 4.08Å; W910-A914 HydrophobicContact CZ3-CB 4.13Å; W910-A914 WeakPolarHBondContact O-CB 3.26Å; W910-A914 PolarHBondContact O-N 3.2Å; W910-L989 HydrophobicContact CD2-CD1 3.49Å; W910-L989 VanDerWaalsContact CD2-CD1 3.49Å; W910-L989 HydrophobicContact CD2-CD2 4.23Å; W910-L989 HydrophobicContact CE3-CD1 3.94Å; W910-L989 HydrophobicContact CE3-CD2 3.85Å; W910-L989 HydrophobicContact CG-CD1 3.75Å; W910-L989 HydrophobicContact CH2-CD2 3.96Å; W910-L989 HydrophobicContact CZ2-CD1 4.22Å; W910-L989 HydrophobicContact CZ2-CD2 4.29Å; W910-L989 HydrophobicContact CZ3-CD1 4.48Å; W910-L989 HydrophobicContact CZ3-CD2 3.71Å; W910-I1012 HydrophobicContact CH2-CG2 4.21Å; W910-I1012 HydrophobicContact CZ3-CG2 4.44Å; W910-A1015 HydrophobicContact CH2-CB 4.23Å; W910-A1015 HydrophobicContact CZ2-CB 3.99Å; W910-I1016 HydrophobicContact CH2-CD1 4.2Å; W910-I1016 HydrophobicContact CH2-CG1 3.58Å; W910-I1016 HydrophobicContact CZ2-CG1 3.56Å
911	L	90.1	Very high	80.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-38.3	175.4	-77.2	167	0	0	0	111.9	I907 S908 E913 A914 T915 L972 L973 F979	I907-L911 WeakPolarHBondContact O-CB 3.34Å; I907-L911 WeakPolarHBondContact O-CG 3.48Å; I907-L911 PolarHBondContact O-N 2.75Å; S908-L911 PolarHBondContact O-N 3.2Å; L911-E913 VanDerWaalsContact C-N 3.35Å; L911-E913 PolarHBondContact O-N 2.73Å; L911-A914 PolarHBondContact O-N 2.95Å; L911-T915 PolarHBondContact O-N 3.04Å; L911-T915 PolarHBondContact O-OG1 2.79Å; L911-T915 VanDerWaalsContact O-OG1 3.08Å; L911-L972 HydrophobicContact CD2-CB 4.03Å; L911-L973 HydrophobicContact CB-CD2 4.43Å; L911-F979 HydrophobicContact CD1-CD2 4.31Å; L911-F979 HydrophobicContact CD2-CE2 4.16Å; L911-F979 HydrophobicContact CD2-CZ 4.3Å
912	R	86.4	Confident	78.6	Confident	114 Å²	114	46.3 Å²	46.3	43%	0.43	25%	0.25	S	S	.	.	H	α-helix	trans	-58.8	-44.7	172.7	-165.3	171.2	-71.5	135.2	2.1	111.9	S908 A909 W910 T915 R916 L963 L973	S908-R912 PolarHBondContact O-N 2.8Å; A909-R912 WeakPolarHBondContact O-CB 3.39Å; A909-R912 PolarHBondContact O-N 3.36Å; W910-R912 VanDerWaalsContact C-N 3.33Å; W910-R912 PolarHBondContact O-N 3.13Å; R912-T915 PolarHBondContact O-N 2.77Å; R912-R916 PolarHBondContact O-N 3.1Å; R912-R916 VanDerWaalsContact O-N 3.16Å; R912-L963 HydrophobicContact CG-CD1 3.45Å; R912-L963 VanDerWaalsContact CG-CD1 3.45Å; R912-L973 HydrophobicContact CB-CD1 4.3Å; R912-L973 HydrophobicContact CB-CD2 4.11Å; R912-L973 HydrophobicContact CB-CG 4.34Å; R912-L973 HydrophobicContact CG-CD1 4.17Å
913	E	81.3	Confident	76.4	Confident	73 Å²	73	49.5 Å²	49.5	34%	0.341	27%	0.27	S	S	.	.	H	α-helix	trans	-71.6	-37.4	177.4	178.4	56.6	-165.6	0	0	112.5	A909 W910 L911 T915 R916 I917	A909-E913 PolarHBondContact O-N 3.03Å; A909-E913 VanDerWaalsContact O-N 3.11Å; W910-E913 PolarHBondContact O-N 2.73Å; L911-E913 VanDerWaalsContact C-N 3.35Å; L911-E913 PolarHBondContact O-N 2.73Å; E913-T915 VanDerWaalsContact C-N 3.34Å; E913-T915 PolarHBondContact O-N 3.16Å; E913-R916 WeakPolarHBondContact O-CB 3.43Å; E913-R916 PolarHBondContact O-N 2.74Å; E913-R916 VanDerWaalsContact O-N 3.13Å; E913-R916 IonicContact OE1-CZ 2.73Å; E913-R916 IonicContact OE1-NE 3.25Å; E913-R916 PolarHBondContact OE1-NE 3.26Å; E913-R916 IonicContact OE1-NH2 3.43Å; E913-R916 PolarHBondContact OE1-NH2 2.94Å; E913-R916 WeakPolarHBondContact OE2-CD 3.19Å; E913-R916 IonicContact OE2-CZ 2.79Å; E913-R916 IonicContact OE2-NE 2.91Å; E913-R916 PolarHBondContact OE2-NE 3.38Å; E913-R916 IonicContact OE2-NH2 2.8Å; E913-I917 HydrophobicContact CG-CD1 3.94Å; E913-I917 HydrophobicContact CG-CG1 4.47Å; E913-I917 WeakPolarHBondContact O-CG1 3.34Å; E913-I917 PolarHBondContact O-N 3.04Å
914	A	85.9	Confident	73.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-40.4	172.5	0	0	0	0	0	112	W910 L911 R916 T918 L972 A1015	W910-A914 HydrophobicContact CE3-CB 4.45Å; W910-A914 HydrophobicContact CH2-CB 3.92Å; W910-A914 HydrophobicContact CZ2-CB 4.08Å; W910-A914 HydrophobicContact CZ3-CB 4.13Å; W910-A914 WeakPolarHBondContact O-CB 3.26Å; W910-A914 PolarHBondContact O-N 3.2Å; L911-A914 PolarHBondContact O-N 2.95Å; A914-R916 VanDerWaalsContact C-N 3.35Å; A914-T918 WeakPolarHBondContact O-CB 3.25Å; A914-T918 VanDerWaalsContact O-CG2 3.31Å; A914-T918 WeakPolarHBondContact O-CG2 3.45Å; A914-T918 PolarHBondContact O-N 3.14Å; A914-T918 PolarHBondContact O-OG1 3.38Å; A914-L972 HydrophobicContact CB-CD1 4.05Å; A914-A1015 HydrophobicContact CB-CB 3.55Å
915	T	86.5	Confident	71.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-45.4	171.3	-62.6	0	0	0	0	110.7	L911 R912 E913 T918 A919 L963 L966 F970 D971 L972	L911-T915 PolarHBondContact O-N 3.04Å; L911-T915 PolarHBondContact O-OG1 2.79Å; L911-T915 VanDerWaalsContact O-OG1 3.08Å; R912-T915 PolarHBondContact O-N 2.77Å; E913-T915 VanDerWaalsContact C-N 3.34Å; E913-T915 PolarHBondContact O-N 3.16Å; T915-T918 PolarHBondContact O-OG1 3.32Å; T915-A919 WeakPolarHBondContact O-CB 3.1Å; T915-A919 PolarHBondContact O-N 3.17Å; T915-L963 HydrophobicContact CG2-CD2 4.32Å; T915-L966 HydrophobicContact CG2-CD1 3.28Å; T915-F970 HydrophobicContact CG2-CD1 4.23Å; T915-F970 HydrophobicContact CG2-CE1 4.39Å; T915-D971 HydrophobicContact CG2-CB 4.42Å; T915-D971 PolarHBondContact OG1-OD1 2.85Å; T915-L972 WeakPolarHBondContact OG1-CB 3.39Å; T915-L972 PolarHBondContact OG1-N 3.24Å
916	R	77	Confident	68.8	Low	117 Å²	117	58.2 Å²	58.2	44%	0.442	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-47.7	178.1	-166.7	-166.5	71	80.5	5	112.9	R912 E913 A914 A919 L920	R912-R916 PolarHBondContact O-N 3.1Å; R912-R916 VanDerWaalsContact O-N 3.16Å; E913-R916 WeakPolarHBondContact O-CB 3.43Å; E913-R916 PolarHBondContact O-N 2.74Å; E913-R916 VanDerWaalsContact O-N 3.13Å; E913-R916 IonicContact OE1-CZ 2.73Å; E913-R916 IonicContact OE1-NE 3.25Å; E913-R916 PolarHBondContact OE1-NE 3.26Å; E913-R916 IonicContact OE1-NH2 3.43Å; E913-R916 PolarHBondContact OE1-NH2 2.94Å; E913-R916 WeakPolarHBondContact OE2-CD 3.19Å; E913-R916 IonicContact OE2-CZ 2.79Å; E913-R916 IonicContact OE2-NE 2.91Å; E913-R916 PolarHBondContact OE2-NE 3.38Å; E913-R916 IonicContact OE2-NH2 2.8Å; A914-R916 VanDerWaalsContact C-N 3.35Å; R916-A919 PolarHBondContact O-N 2.98Å; R916-L920 VanDerWaalsContact NH1-CD1 3.3Å; R916-L920 PolarHBondContact O-N 3.37Å
917	I	75.9	Confident	66	Low	26 Å²	26	66.8 Å²	66.8	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-46.5	178.9	-69	166.1	0	0	0	110.6	E913 A919 L920 N921	E913-I917 HydrophobicContact CG-CD1 3.94Å; E913-I917 HydrophobicContact CG-CG1 4.47Å; E913-I917 WeakPolarHBondContact O-CG1 3.34Å; E913-I917 PolarHBondContact O-N 3.04Å; I917-A919 PolarHBondContact O-N 3.04Å; I917-L920 PolarHBondContact O-N 3.41Å; I917-N921 PolarHBondContact O-N 2.75Å
918	T	75.3	Confident	63	Low	5 Å²	5	72.9 Å²	72.9	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-75.3	-23.6	-175.8	57	0	0	0	0	113.3	A914 T915 R1011 A1015	A914-T918 WeakPolarHBondContact O-CB 3.25Å; A914-T918 VanDerWaalsContact O-CG2 3.31Å; A914-T918 WeakPolarHBondContact O-CG2 3.45Å; A914-T918 PolarHBondContact O-N 3.14Å; A914-T918 PolarHBondContact O-OG1 3.38Å; T915-T918 PolarHBondContact O-OG1 3.32Å; T918-R1011 HydrophobicContact CG2-CB 3.87Å; T918-R1011 HydrophobicContact CG2-CG 4.13Å; T918-R1011 WeakPolarHBondContact CG2-O 3.36Å; T918-A1015 HydrophobicContact CG2-CB 4.25Å
919	A	67.9	Low	60.1	Low	30 Å²	30	77.5 Å²	77.5	25%	0.248	41%	0.408	C	S	.	.	H	α-helix	trans	-66.8	-44.8	167.9	0	0	0	0	0	112.2	T915 R916 I917 N921 N922 F970	T915-A919 WeakPolarHBondContact O-CB 3.1Å; T915-A919 PolarHBondContact O-N 3.17Å; R916-A919 PolarHBondContact O-N 2.98Å; I917-A919 PolarHBondContact O-N 3.04Å; A919-N921 VanDerWaalsContact C-N 3.34Å; A919-N921 PolarHBondContact O-N 3.13Å; A919-N922 WeakPolarHBondContact O-CB 3.47Å; A919-N922 PolarHBondContact O-N 3.42Å; A919-F970 HydrophobicContact CB-CE1 4.18Å; A919-F970 HydrophobicContact CB-CZ 4.23Å
920	L	55.8	Low	57.2	Low	91 Å²	91	83 Å²	83	48%	0.476	43%	0.428	S	S	.	.	H	α-helix	trans	-64.8	-33.9	179.5	-75.9	164.6	0	0	0	113.3	R916 I917 N922 T923	R916-L920 VanDerWaalsContact NH1-CD1 3.3Å; R916-L920 PolarHBondContact O-N 3.37Å; I917-L920 PolarHBondContact O-N 3.41Å; L920-N922 PolarHBondContact O-N 3.48Å; L920-T923 PolarHBondContact O-N 2.87Å; L920-T923 PolarHBondContact O-OG1 2.6Å
921	N	52.9	Low	54.2	Low	84 Å²	84	88 Å²	88	45%	0.449	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-24.3	177.1	-72.8	-16.3	0	0	0	113.1	I917 A919 N924	I917-N921 PolarHBondContact O-N 2.75Å; A919-N921 VanDerWaalsContact C-N 3.34Å; A919-N921 PolarHBondContact O-N 3.13Å; N921-N924 PolarHBondContact O-ND2 3.23Å
922	N	47.9	Very low	51	Low	113 Å²	113	93.6 Å²	93.6	60%	0.604	50%	0.503	S	S	*	.	H	α-helix	trans	-77.9	-19.3	176.6	-92.8	0.2	0	0	0	113.8	A919 L920 N924	A919-N922 WeakPolarHBondContact O-CB 3.47Å; A919-N922 PolarHBondContact O-N 3.42Å; L920-N922 PolarHBondContact O-N 3.48Å; N922-N924 PolarHBondContact O-N 3.13Å; N922-N924 VanDerWaalsContact O-N 3.12Å
923	T	39.9	Very low	48.1	Very low	107 Å²	107	95.3 Å²	95.3	66%	0.656	52%	0.52	S	S	*	.			trans	-86.1	38.8	178	56	0	0	0	0	112.7	L920 T925	L920-T923 PolarHBondContact O-N 2.87Å; L920-T923 PolarHBondContact O-OG1 2.6Å; T923-T925 PolarHBondContact O-N 3.3Å
924	N	33.4	Very low	45.4	Very low	89 Å²	89	102 Å²	102	48%	0.476	54%	0.544	S	S	.	.			trans	-93.8	86.1	170.8	-79.3	-72.1	0	0	0	110.5	N921 N922 R927	N921-N924 PolarHBondContact O-ND2 3.23Å; N922-N924 PolarHBondContact O-N 3.13Å; N922-N924 VanDerWaalsContact O-N 3.12Å; N924-R927 PolarHBondContact OD1-NH2 3.5Å
925	T	26.9	Very low	42.6	Very low	120 Å²	120	108.5 Å²	108.5	74%	0.736	58%	0.583	S	S	*	*			trans	-49.8	138.7	147.7	47.1	0	0	0	0	108.6	T923 R927	T923-T925 PolarHBondContact O-N 3.3Å; T925-R927 PolarHBondContact O-N 2.9Å
926	P	26.4	Very low	39.6	Very low	127 Å²	127	113.9 Å²	113.9	83%	0.825	62%	0.616	S	S	*	*			trans	-60.1	107.7	-169.1	23.3	-33.9	0	0	0	111.3	N928	P926-N928 PolarHBondContact O-N 3.14Å
927	R	25.9	Very low	37.1	Very low	206 Å²	206	114.7 Å²	114.7	78%	0.777	63%	0.628	S	S	*	*			trans	-73.5	97	179.8	-159.7	-178.9	-53.3	-172.5	6.8	108.2	N924 T925 P929	N924-R927 PolarHBondContact OD1-NH2 3.5Å; T925-R927 PolarHBondContact O-N 2.9Å; R927-P929 WeakPolarHBondContact O-CD 3.31Å
928	N	24.9	Very low	34.8	Very low	129 Å²	129	123 Å²	123	69%	0.69	66%	0.663	S	S	*	*			trans	-54	118	-171	-167.8	9.5	0	0	0	111	P926 M930	P926-N928 PolarHBondContact O-N 3.14Å; N928-M930 PolarHBondContact O-N 3.34Å
929	P	26.3	Very low	32.4	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	69%	0.694	S	S	*	*	S	Bend	trans	-81.4	49.6	-169.3	34.2	-37.9	0	0	0	112.9	R927	R927-P929 WeakPolarHBondContact O-CD 3.31Å
930	M	24.1	Very low	30.3	Very low	153 Å²	153	134 Å²	134	75%	0.754	72%	0.718	S	S	*	*			trans	-142.6	73.6	178.8	-85.4	-66.8	157.2	0	0	110.9	N928	N928-M930 PolarHBondContact O-N 3.34Å
931	T	27.5	Very low	28.9	Very low	145 Å²	145	139.4 Å²	139.4	89%	0.89	74%	0.737	S	S	*	*			trans	173.6	79	148.6	23.3	0	0	0	0	109.5
932	S	22.6	Very low	27.4	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	75%	0.748	S	S	*	*			trans	-89.1	108	149.8	165.4	0	0	0	0	106.4
933	D	26.4	Very low	26.3	Very low	150 Å²	150	147.9 Å²	147.9	80%	0.802	76%	0.761	S	S	*	*			trans	-157.6	161.4	150.9	-116.4	-31.9	0	0	0	113.4
934	Y	24.1	Very low	25.6	Very low	212 Å²	212	146.8 Å²	146.8	83%	0.831	75%	0.754	S	S	*	*			trans	-65.3	154.4	178	-82.2	-119.2	0	0	0	112.4
935	V	26.3	Very low	25.1	Very low	137 Å²	137	150.7 Å²	150.7	83%	0.83	77%	0.772	S	S	*	*				-165.3	147.1	115.6	136.8	0	0	0	0	111
936	V	23.2	Very low	25	Very low	113 Å²	113	150 Å²	150	69%	0.685	78%	0.778	S	S	*	*			trans	-115.1	122.9	177.3	168.5	0	0	0	0	108.9
937	I	25.5	Very low	24.9	Very low	135 Å²	135	149.4 Å²	149.4	69%	0.692	78%	0.777	S	S	*	*			trans	58.1	117.1	160.8	-59.7	164.6	0	0	0	117.2
938	K	27.5	Very low	25	Very low	199 Å²	199	145.8 Å²	145.8	87%	0.865	78%	0.778	S	S	*	*				-159.9	151.6	115.5	-113.1	-178.9	-178	-174	0	114.3
939	D	24.2	Very low	25.2	Very low	129 Å²	129	145.5 Å²	145.5	69%	0.69	78%	0.777	S	S	*	*			trans	-83.2	148.2	-173.5	-40.9	-99.3	0	0	0	112.2
940	D	24.7	Very low	25.2	Very low	139 Å²	139	145.3 Å²	145.3	74%	0.743	79%	0.785	S	S	*	*				172.1	117.7	104.9	-102.7	-34.5	0	0	0	111.7
941	F	25.3	Very low	25.3	Very low	203 Å²	203	142.8 Å²	142.8	89%	0.89	78%	0.782	S	S	*	*				-172.7	123.1	127.5	-116.8	-80.9	0	0	0	110.3
942	Q	22.6	Very low	25.2	Very low	144 Å²	144	143.2 Å²	143.2	67%	0.673	77%	0.774	S	S	*	*			trans	-83.7	167.1	175.5	-61.4	175.6	2.5	0	0	109.4
943	W	23.9	Very low	25.3	Very low	231 Å²	231	147.7 Å²	147.7	88%	0.875	78%	0.775	S	S	*	*				-162	159.1	66.2	-83.8	74.1	0	0	0	110.3
944	T	25.6	Very low	25.3	Very low	84 Å²	84	147.5 Å²	147.5	52%	0.515	78%	0.779	S	S	.	*			cis	-171.2	139.3	-19	-95	0	0	0	0	110
945	M	22.2	Very low	25.3	Very low	171 Å²	171	142.9 Å²	142.9	84%	0.842	78%	0.778	S	S	*	*			trans	43.4	101.7	158	-67	-82.4	-120.6	0	0	121.1
946	A	26.8	Very low	25.2	Very low	106 Å²	106	145.4 Å²	145.4	88%	0.876	78%	0.777	S	S	*	*				-155.3	104.4	127.2	0	0	0	0	0	110
947	S	23.3	Very low	25.4	Very low	114 Å²	114	147.3 Å²	147.3	80%	0.797	77%	0.773	S	S	*	*			trans	-107.1	116.2	-177.9	-67.5	0	0	0	0	112.6
948	T	27.5	Very low	25.3	Very low	131 Å²	131	147.1 Å²	147.1	80%	0.804	78%	0.783	S	S	*	*			trans	-146.2	128.5	154.7	42.7	0	0	0	0	111.3
949	N	30.4	Very low	25.3	Very low	123 Å²	123	143.6 Å²	143.6	66%	0.658	77%	0.765	S	S	*	*			trans	59.3	67.5	155.2	-60.1	11.3	0	0	0	119	S951	N949-S951 PolarHBondContact O-N 3.3Å
950	A	25.6	Very low	25.4	Very low	115 Å²	115	143.8 Å²	143.8	95%	0.95	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	72.1	153.4	0	0	0	0	0	111.6
951	S	26.1	Very low	25.8	Very low	99 Å²	99	145 Å²	145	69%	0.692	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.2	19.8	170.7	70.9	0	0	0	0	116.8	N949	N949-S951 PolarHBondContact O-N 3.3Å
952	E	24.8	Very low	26.2	Very low	154 Å²	154	138.9 Å²	138.9	72%	0.72	75%	0.748	S	S	*	*	S	Bend	trans	-138.9	-3.1	-169.2	-128.6	160.4	-162.9	0	0	116.3
953	Y	26.3	Very low	27	Very low	213 Å²	213	133.7 Å²	133.7	84%	0.835	73%	0.725	S	S	*	*	S	Bend	trans	-104.1	3.9	-168.5	-108.7	-91	0	0	0	116.7
954	T	25.5	Very low	27.8	Very low	145 Å²	145	125.9 Å²	125.9	89%	0.89	71%	0.705	S	S	*	*	S	Bend	trans	-109	6.3	-171.2	48.2	0	0	0	0	115.4
955	S	24	Very low	28.3	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	71%	0.707	S	S	*	*	S	Bend	trans	-125.3	14.9	-171.8	-159.5	0	0	0	0	115.3
956	K	24.4	Very low	29	Very low	190 Å²	190	119.7 Å²	119.7	83%	0.826	68%	0.678	S	S	*	*	S	Bend	trans	-121.6	1.4	-176.3	-132.2	168.8	-171.8	169.6	0	116.5
957	Y	27.2	Very low	30.1	Very low	154 Å²	154	120.2 Å²	120.2	60%	0.604	67%	0.666	S	S	*	*			trans	-130	50.4	179.2	-66.4	-73.2	0	0	0	112.6	Y959	Y957-Y959 HydrophobicContact CD1-CD2 4.06Å; Y957-Y959 AromaticContact CD1-CE2 3.55Å; Y957-Y959 HydrophobicContact CD1-CE2 3.55Å; Y957-Y959 HydrophobicContact CE1-CE2 4.18Å; Y957-Y959 HydrophobicContact CG-CE2 4.47Å; Y957-Y959 PolarHBondContact O-N 3.11Å
958	C	22.6	Very low	31.5	Very low	131 Å²	131	118 Å²	118	89%	0.885	64%	0.643	S	S	*	*			trans	-72.2	67.7	152.9	-77.2	0	0	0	0	109.4	T960	C958-T960 PolarHBondContact O-N 3.23Å; C958-T960 VanDerWaalsContact O-N 3.09Å
959	Y	28.3	Very low	32.9	Very low	125 Å²	125	115.2 Å²	115.2	49%	0.49	63%	0.629	S	S	.	*			trans	-57	114.2	153.9	-80.3	-78	0	0	0	106.5	E761 Y957 H961	E761-Y959 PolarHBondContact OE1-OH 3.26Å; Y957-Y959 HydrophobicContact CD1-CD2 4.06Å; Y957-Y959 AromaticContact CD1-CE2 3.55Å; Y957-Y959 HydrophobicContact CD1-CE2 3.55Å; Y957-Y959 HydrophobicContact CE1-CE2 4.18Å; Y957-Y959 HydrophobicContact CG-CE2 4.47Å; Y957-Y959 PolarHBondContact O-N 3.11Å; Y959-H961 VanDerWaalsContact C-N 3.26Å; Y959-H961 PolarHBondContact O-N 3.49Å
960	T	26.9	Very low	34.8	Very low	132 Å²	132	110.8 Å²	110.8	81%	0.81	60%	0.604	S	S	*	*			trans	-60.2	99.6	155.2	46	0	0	0	0	106	C958 D962	C958-T960 PolarHBondContact O-N 3.23Å; C958-T960 VanDerWaalsContact O-N 3.09Å; T960-D962 PolarHBondContact O-N 3.03Å
961	H	32.5	Very low	37.4	Very low	166 Å²	166	105.4 Å²	105.4	77%	0.769	56%	0.559	S	S	*	*			trans	-54.8	116.4	175.7	-87.5	-51.4	0	0	0	108.2	Y959 L963	Y959-H961 VanDerWaalsContact C-N 3.26Å; Y959-H961 PolarHBondContact O-N 3.49Å; H961-L963 VanDerWaalsContact C-N 3.35Å; H961-L963 PolarHBondContact O-N 3.38Å
962	D	33.5	Very low	40.5	Very low	73 Å²	73	100.7 Å²	100.7	39%	0.39	53%	0.526	S	S	.	.			trans	-71.1	91.9	-174.6	-166.5	-14.4	0	0	0	108.5	R763 T960 S964 C965	R763-D962 IonicContact NH2-OD2 3.52Å; T960-D962 PolarHBondContact O-N 3.03Å; D962-S964 PolarHBondContact O-N 3.31Å; D962-S964 VanDerWaalsContact OD1-CB 3.27Å; D962-S964 WeakPolarHBondContact OD1-CB 3.41Å; D962-S964 PolarHBondContact OD1-OG 3.46Å; D962-C965 PolarHBondContact O-N 3.04Å; D962-C965 PolarHBondContact O-SG 3.29Å
963	L	40.1	Very low	43.6	Very low	36 Å²	36	93.6 Å²	93.6	19%	0.188	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-67	-5.8	-173	-80.4	158.5	0	0	0	113.1	R912 T915 H961 C965 L966	R912-L963 HydrophobicContact CG-CD1 3.45Å; R912-L963 VanDerWaalsContact CG-CD1 3.45Å; T915-L963 HydrophobicContact CG2-CD2 4.32Å; H961-L963 VanDerWaalsContact C-N 3.35Å; H961-L963 PolarHBondContact O-N 3.38Å; L963-C965 PolarHBondContact O-N 2.91Å; L963-L966 HydrophobicContact CD2-CD1 3.65Å; L963-L966 HydrophobicContact CD2-CG 4.34Å; L963-L966 PolarHBondContact O-N 3.43Å
964	S	39.6	Very low	46.6	Very low	67 Å²	67	84.9 Å²	84.9	47%	0.469	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-52.3	-19.6	166.2	63.8	0	0	0	0	114.1	D962	D962-S964 PolarHBondContact O-N 3.31Å; D962-S964 VanDerWaalsContact OD1-CB 3.27Å; D962-S964 WeakPolarHBondContact OD1-CB 3.41Å; D962-S964 PolarHBondContact OD1-OG 3.46Å
965	C	36.6	Very low	49.8	Very low	80 Å²	80	79.1 Å²	79.1	54%	0.541	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-82.4	-7.5	175.4	70.6	0	0	0	0	115.4	K758 D962 L963	K758-C965 HydrophobicContact CD-CB 4.45Å; D962-C965 PolarHBondContact O-N 3.04Å; D962-C965 PolarHBondContact O-SG 3.29Å; L963-C965 PolarHBondContact O-N 2.91Å
966	L	37.1	Very low	53.1	Low	44 Å²	44	73.7 Å²	73.7	23%	0.23	38%	0.384	C	S	.	.	S	Bend	trans	-71.4	138.9	160.5	-76.8	170.4	0	0	0	108.6	T915 L963 Q968 F970	T915-L966 HydrophobicContact CG2-CD1 3.28Å; L963-L966 HydrophobicContact CD2-CD1 3.65Å; L963-L966 HydrophobicContact CD2-CG 4.34Å; L963-L966 PolarHBondContact O-N 3.43Å; L966-Q968 PolarHBondContact O-N 2.87Å; L966-Q968 VanDerWaalsContact O-N 3.14Å; L966-F970 HydrophobicContact CD1-CD1 4.01Å; L966-F970 HydrophobicContact CD2-CD1 4.32Å; L966-F970 HydrophobicContact CD2-CG 4.46Å
967	N	49.8	Very low	56.3	Low	118 Å²	118	65.6 Å²	65.6	63%	0.631	35%	0.348	S	S	*	.			trans	-51.9	124.4	169	-177.8	-24.8	0	0	0	108	S969 F970	N967-S969 CarbonylContact O-C 3.57Å; N967-S969 PolarHBondContact O-N 3.34Å; N967-S969 PolarHBondContact OD1-N 3.24Å; N967-S969 PolarHBondContact OD1-OG 3.2Å; N967-F970 WeakPolarHBondContact O-CB 3.28Å; N967-F970 PolarHBondContact O-N 3.49Å
968	Q	52.3	Low	59.5	Low	66 Å²	66	59.4 Å²	59.4	31%	0.308	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-23	-172.1	-71	174.5	-17.5	0	0	113.4	S892 I895 L966 F970 Q974	S892-Q968 PolarHBondContact OG-NE2 3.39Å; I895-Q968 HydrophobicContact CD1-CB 4.45Å; I895-Q968 HydrophobicContact CD1-CG 4.38Å; L966-Q968 PolarHBondContact O-N 2.87Å; L966-Q968 VanDerWaalsContact O-N 3.14Å; Q968-F970 PolarHBondContact O-N 3.04Å; Q968-Q974 PolarHBondContact O-NE2 2.63Å; Q968-Q974 VanDerWaalsContact O-NE2 3.13Å
969	S	56.9	Low	62.8	Low	73 Å²	73	53.2 Å²	53.2	51%	0.51	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	3.1	170.6	61.9	0	0	0	0	115.9	N967 H1008	N967-S969 CarbonylContact O-C 3.57Å; N967-S969 PolarHBondContact O-N 3.34Å; N967-S969 PolarHBondContact OD1-N 3.24Å; N967-S969 PolarHBondContact OD1-OG 3.2Å; S969-H1008 PolarHBondContact O-CE1 3.31Å; S969-H1008 PolarHBondContact O-NE2 2.89Å
970	F	71	Confident	65.7	Low	30 Å²	30	48.4 Å²	48.4	13%	0.132	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-37.3	177.1	-167.6	-72.2	0	0	0	113.3	T915 A919 L966 N967 Q968 L972 R1011	T915-F970 HydrophobicContact CG2-CD1 4.23Å; T915-F970 HydrophobicContact CG2-CE1 4.39Å; A919-F970 HydrophobicContact CB-CE1 4.18Å; A919-F970 HydrophobicContact CB-CZ 4.23Å; L966-F970 HydrophobicContact CD1-CD1 4.01Å; L966-F970 HydrophobicContact CD2-CD1 4.32Å; L966-F970 HydrophobicContact CD2-CG 4.46Å; N967-F970 WeakPolarHBondContact O-CB 3.28Å; N967-F970 PolarHBondContact O-N 3.49Å; Q968-F970 PolarHBondContact O-N 3.04Å; F970-L972 PolarHBondContact O-N 2.99Å; F970-R1011 VanDerWaalsContact CD2-NH1 3.28Å
971	D	80.5	Confident	68.7	Low	2 Å²	2	45.4 Å²	45.4	1%	0.011	25%	0.251	C	S	.	.			trans	-68.9	125.4	-168.5	-165.3	-13	0	0	0	112.4	I895 T915 L973 Q974	I895-D971 HydrophobicContact CD1-CB 4.11Å; I895-D971 HydrophobicContact CG1-CB 4.46Å; T915-D971 HydrophobicContact CG2-CB 4.42Å; T915-D971 PolarHBondContact OG1-OD1 2.85Å; D971-L973 VanDerWaalsContact C-N 3.31Å; D971-L973 WeakPolarHBondContact OD1-CB 3.35Å; D971-L973 PolarHBondContact OD1-N 2.83Å; D971-Q974 WeakPolarHBondContact O-CG 3.49Å; D971-Q974 PolarHBondContact O-NE2 2.99Å
972	L	89.6	Confident	71.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-78.2	-14.6	-178.7	-51.7	175.1	0	0	0	112.7	L911 A914 T915 F970 Q974 Y975 H1008 R1011 I1012	L911-L972 HydrophobicContact CD2-CB 4.03Å; A914-L972 HydrophobicContact CB-CD1 4.05Å; T915-L972 WeakPolarHBondContact OG1-CB 3.39Å; T915-L972 PolarHBondContact OG1-N 3.24Å; F970-L972 PolarHBondContact O-N 2.99Å; L972-Q974 PolarHBondContact O-N 3.45Å; L972-Q974 VanDerWaalsContact O-N 3.12Å; L972-Y975 PolarHBondContact O-N 2.85Å; L972-H1008 HydrophobicContact CD2-CB 3.96Å; L972-R1011 HydrophobicContact CD1-CB 4.39Å; L972-I1012 HydrophobicContact CD1-CG1 3.97Å; L972-I1012 HydrophobicContact CD2-CD1 4.43Å; L972-I1012 HydrophobicContact CD2-CG1 4.22Å
973	L	89.8	Confident	74	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.031	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-54.6	-29.4	175.3	-83	169.5	0	0	0	113.1	I895 S908 L911 R912 D971 Y975 T976	I895-L973 HydrophobicContact CG1-CB 4.35Å; I895-L973 HydrophobicContact CG2-CB 4.33Å; I895-L973 HydrophobicContact CG2-CD1 4.32Å; S908-L973 VanDerWaalsContact O-CD2 3.31Å; S908-L973 WeakPolarHBondContact O-CD2 3.47Å; L911-L973 HydrophobicContact CB-CD2 4.43Å; R912-L973 HydrophobicContact CB-CD1 4.3Å; R912-L973 HydrophobicContact CB-CD2 4.11Å; R912-L973 HydrophobicContact CB-CG 4.34Å; R912-L973 HydrophobicContact CG-CD1 4.17Å; D971-L973 VanDerWaalsContact C-N 3.31Å; D971-L973 WeakPolarHBondContact OD1-CB 3.35Å; D971-L973 PolarHBondContact OD1-N 2.83Å; L973-Y975 PolarHBondContact O-N 3.21Å; L973-T976 WeakPolarHBondContact O-CB 3.46Å; L973-T976 PolarHBondContact O-N 2.91Å; L973-T976 PolarHBondContact O-OG1 3.04Å
974	Q	90.5	Very high	76.1	Confident	29 Å²	29	36.7 Å²	36.7	14%	0.136	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.3	-18.7	176.6	76.5	-173.3	-93.1	0	0	113.9	K894 I895 Q968 D971 L972	K894-Q974 HydrophobicContact CB-CB 4.41Å; I895-Q974 HydrophobicContact CD1-CB 4.48Å; I895-Q974 HydrophobicContact CG1-CB 3.98Å; Q968-Q974 PolarHBondContact O-NE2 2.63Å; Q968-Q974 VanDerWaalsContact O-NE2 3.13Å; D971-Q974 WeakPolarHBondContact O-CG 3.49Å; D971-Q974 PolarHBondContact O-NE2 2.99Å; L972-Q974 PolarHBondContact O-N 3.45Å; L972-Q974 VanDerWaalsContact O-N 3.12Å
975	Y	93.1	Very high	78.1	Confident	25 Å²	25	36 Å²	36	10%	0.098	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-97.2	3.6	178.1	-54	-59.5	0	0	0	113.8	L972 L973 Y977 N978 F979 I1003 H1008 I1012	L972-Y975 PolarHBondContact O-N 2.85Å; L973-Y975 PolarHBondContact O-N 3.21Å; Y975-Y977 VanDerWaalsContact C-N 3.34Å; Y975-Y977 PolarHBondContact O-N 2.78Å; Y975-N978 WeakPolarHBondContact O-CB 3.49Å; Y975-N978 PolarHBondContact O-N 3.35Å; Y975-F979 WeakPolarHBondContact O-CD2 3.43Å; Y975-F979 PolarHBondContact O-N 3.12Å; Y975-I1003 HydrophobicContact CD1-CD1 4.24Å; Y975-I1003 HydrophobicContact CD1-CG1 3.92Å; Y975-I1003 HydrophobicContact CD1-CG2 4.23Å; Y975-I1003 HydrophobicContact CD2-CD1 4.28Å; Y975-I1003 HydrophobicContact CD2-CG2 4.31Å; Y975-I1003 HydrophobicContact CE1-CG1 4.41Å; Y975-I1003 HydrophobicContact CE1-CG2 3.97Å; Y975-I1003 HydrophobicContact CE2-CG2 4.03Å; Y975-I1003 HydrophobicContact CG-CD1 3.89Å; Y975-I1003 HydrophobicContact CG-CG1 4.1Å; Y975-I1003 HydrophobicContact CG-CG2 4.41Å; Y975-H1008 HydrophobicContact CE2-CB 3.85Å; Y975-H1008 AromaticContact CE2-ND1 3.47Å; Y975-H1008 WeakPolarHBondContact CE2-ND1 3.42Å; Y975-H1008 AromaticContact CZ-ND1 3.62Å; Y975-H1008 PolarHBondContact OH-ND1 2.9Å; Y975-I1012 HydrophobicContact CD2-CD1 4.45Å
976	T	92.7	Very high	80.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53.4	-50.2	-179	-58.7	0	0	0	0	111.8	Y899 I907 L973 N978 F979 I980	Y899-T976 HydrophobicContact CD1-CG2 4.12Å; Y899-T976 HydrophobicContact CD2-CG2 3.4Å; Y899-T976 HydrophobicContact CE1-CG2 4.44Å; Y899-T976 HydrophobicContact CE2-CG2 3.74Å; Y899-T976 HydrophobicContact CG-CG2 3.58Å; I907-T976 HydrophobicContact CG2-CG2 4.33Å; L973-T976 WeakPolarHBondContact O-CB 3.46Å; L973-T976 PolarHBondContact O-N 2.91Å; L973-T976 PolarHBondContact O-OG1 3.04Å; T976-N978 VanDerWaalsContact C-N 3.33Å; T976-N978 PolarHBondContact O-N 3.22Å; T976-F979 PolarHBondContact O-N 2.75Å; T976-I980 HydrophobicContact CG2-CD1 3.88Å; T976-I980 WeakPolarHBondContact O-CG1 3.46Å; T976-I980 PolarHBondContact O-N 2.95Å
977	Y	92.7	Very high	82.2	Confident	21 Å²	21	36 Å²	36	8%	0.082	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-33.1	178.4	-152.2	-112.8	0	0	0	113.3	P830 D861 L864 R865 Y899 V902 Y975 F979 I980 S981	P830-Y977 HydrophobicContact CB-CE2 3.78Å; P830-Y977 HydrophobicContact CG-CD2 4.1Å; P830-Y977 HydrophobicContact CG-CE2 3.8Å; D861-Y977 WeakPolarHBondContact OD1-CE1 3.33Å; D861-Y977 PolarHBondContact OD1-OH 2.74Å; L864-Y977 HydrophobicContact CB-CD1 3.43Å; L864-Y977 VanDerWaalsContact CB-CD1 3.43Å; L864-Y977 HydrophobicContact CB-CE1 3.86Å; L864-Y977 HydrophobicContact CB-CG 3.92Å; L864-Y977 HydrophobicContact CD1-CD1 4.07Å; L864-Y977 HydrophobicContact CD1-CD2 3.93Å; L864-Y977 HydrophobicContact CD1-CE1 4.23Å; L864-Y977 HydrophobicContact CD1-CE2 4.12Å; L864-Y977 HydrophobicContact CD1-CG 3.9Å; L864-Y977 HydrophobicContact CG-CD1 4.38Å; L864-Y977 HydrophobicContact CG-CG 4.46Å; R865-Y977 HydrophobicContact CG-CD1 4.12Å; R865-Y977 HydrophobicContact CG-CE1 3.98Å; Y899-Y977 AromaticContact CD1-CD2 3.85Å; Y899-Y977 HydrophobicContact CD1-CD2 3.85Å; Y899-Y977 AromaticContact CE1-CD2 3.65Å; Y899-Y977 HydrophobicContact CE1-CD2 3.65Å; Y899-Y977 HydrophobicContact CE1-CG 4.1Å; V902-Y977 HydrophobicContact CG2-CE2 4.2Å; Y975-Y977 VanDerWaalsContact C-N 3.34Å; Y975-Y977 PolarHBondContact O-N 2.78Å; Y977-F979 PolarHBondContact O-N 3.04Å; Y977-I980 PolarHBondContact O-N 3.25Å; Y977-S981 VanDerWaalsContact O-CB 3.27Å; Y977-S981 WeakPolarHBondContact O-CB 3.49Å; Y977-S981 PolarHBondContact O-N 2.88Å; Y977-S981 PolarHBondContact O-OG 2.91Å; Y977-S981 VanDerWaalsContact O-OG 3.11Å
978	N	92.8	Very high	83.7	Confident	24 Å²	24	35.9 Å²	35.9	13%	0.128	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-49.1	175.2	-71.7	57.3	0	0	0	111	Y975 T976 S981 A982 C1001	Y975-N978 WeakPolarHBondContact O-CB 3.49Å; Y975-N978 PolarHBondContact O-N 3.35Å; T976-N978 VanDerWaalsContact C-N 3.33Å; T976-N978 PolarHBondContact O-N 3.22Å; N978-S981 PolarHBondContact O-N 2.93Å; N978-S981 PolarHBondContact O-OG 3.03Å; N978-A982 WeakPolarHBondContact O-CB 3.43Å; N978-A982 PolarHBondContact O-N 2.95Å; N978-A982 VanDerWaalsContact O-N 3.1Å; N978-C1001 WeakPolarHBondContact CB-O 3.33Å; N978-C1001 PolarHBondContact ND2-O 3.01Å
979	F	91.9	Very high	85.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-49.6	175.7	-87.5	-113.4	0	0	0	111.8	I907 L911 Y975 T976 Y977 S981 A982 G983 V984 L989 L992 L997 I1003 I1012	I907-F979 HydrophobicContact CD1-CD1 3.99Å; I907-F979 HydrophobicContact CD1-CE1 4.42Å; I907-F979 HydrophobicContact CG1-CB 4.12Å; I907-F979 HydrophobicContact CG1-CD1 3.83Å; I907-F979 HydrophobicContact CG1-CG 4.22Å; L911-F979 HydrophobicContact CD1-CD2 4.31Å; L911-F979 HydrophobicContact CD2-CE2 4.16Å; L911-F979 HydrophobicContact CD2-CZ 4.3Å; Y975-F979 WeakPolarHBondContact O-CD2 3.43Å; Y975-F979 PolarHBondContact O-N 3.12Å; T976-F979 PolarHBondContact O-N 2.75Å; Y977-F979 PolarHBondContact O-N 3.04Å; F979-S981 PolarHBondContact O-N 3.06Å; F979-A982 CarbonylContact O-C 3.44Å; F979-A982 PolarHBondContact O-N 3.26Å; F979-G983 PolarHBondContact O-N 2.94Å; F979-V984 HydrophobicContact CB-CB 4.27Å; F979-V984 HydrophobicContact CD1-CB 3.87Å; F979-V984 HydrophobicContact CD1-CG1 3.49Å; F979-V984 VanDerWaalsContact CD1-CG1 3.49Å; F979-V984 HydrophobicContact CE1-CG1 3.97Å; F979-V984 HydrophobicContact CG-CB 4.41Å; F979-V984 HydrophobicContact CG-CG1 4.47Å; F979-V984 WeakPolarHBondContact O-CB 3.33Å; F979-V984 PolarHBondContact O-N 3.15Å; F979-L989 HydrophobicContact CE1-CD2 3.95Å; F979-L992 HydrophobicContact CE1-CD1 3.83Å; F979-L997 HydrophobicContact CE1-CD2 4.34Å; F979-L997 HydrophobicContact CE2-CD2 4.21Å; F979-L997 HydrophobicContact CZ-CD2 3.72Å; F979-I1003 HydrophobicContact CD2-CD1 4.34Å; F979-I1003 HydrophobicContact CE2-CD1 3.66Å; F979-I1012 HydrophobicContact CE2-CD1 4.07Å; F979-I1012 HydrophobicContact CZ-CD1 4.17Å; F979-I1012 HydrophobicContact CZ-CG2 3.92Å
980	I	90.5	Very high	86.6	Confident	25 Å²	25	33 Å²	33	13%	0.128	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-44.3	-178.9	-63.6	166.9	0	0	0	110.8	Y899 V902 D903 I907 T976 Y977 A982 G983	Y899-I980 HydrophobicContact CD1-CD1 4.36Å; Y899-I980 HydrophobicContact CG-CD1 4.49Å; V902-I980 HydrophobicContact CB-CG2 4.25Å; V902-I980 HydrophobicContact CG2-CD1 4.06Å; V902-I980 HydrophobicContact CG2-CG2 4.49Å; D903-I980 HydrophobicContact CB-CD1 3.86Å; I907-I980 HydrophobicContact CG2-CD1 4.07Å; I907-I980 HydrophobicContact CG2-CG1 3.72Å; T976-I980 HydrophobicContact CG2-CD1 3.88Å; T976-I980 WeakPolarHBondContact O-CG1 3.46Å; T976-I980 PolarHBondContact O-N 2.95Å; Y977-I980 PolarHBondContact O-N 3.25Å; I980-A982 PolarHBondContact O-N 2.6Å; I980-G983 PolarHBondContact O-N 3.07Å
981	S	89.3	Confident	87.4	Confident	69 Å²	69	40.2 Å²	40.2	48%	0.483	22%	0.223	S	C	.	.	H	α-helix	trans	-65.4	-25	178.6	70.8	0	0	0	0	113.8	Y977 N978 F979 G983	Y977-S981 VanDerWaalsContact O-CB 3.27Å; Y977-S981 WeakPolarHBondContact O-CB 3.49Å; Y977-S981 PolarHBondContact O-N 2.88Å; Y977-S981 PolarHBondContact O-OG 2.91Å; Y977-S981 VanDerWaalsContact O-OG 3.11Å; N978-S981 PolarHBondContact O-N 2.93Å; N978-S981 PolarHBondContact O-OG 3.03Å; F979-S981 PolarHBondContact O-N 3.06Å; S981-G983 VanDerWaalsContact C-N 3.34Å
982	A	89.8	Confident	87.8	Confident	38 Å²	38	41.3 Å²	41.3	31%	0.314	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.7	172.5	0	0	0	0	0	113.4	N978 F979 I980 V984	N978-A982 WeakPolarHBondContact O-CB 3.43Å; N978-A982 PolarHBondContact O-N 2.95Å; N978-A982 VanDerWaalsContact O-N 3.1Å; F979-A982 CarbonylContact O-C 3.44Å; F979-A982 PolarHBondContact O-N 3.26Å; I980-A982 PolarHBondContact O-N 2.6Å; A982-V984 VanDerWaalsContact C-N 3.28Å; A982-V984 HydrophobicContact CB-CG2 3.97Å; A982-V984 PolarHBondContact O-N 3.33Å
983	G	86.6	Confident	87.8	Confident	40 Å²	40	43.6 Å²	43.6	41%	0.412	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	15.5	-177.7	0	0	0	0	0	114.7	F979 I980 S981 H985	F979-G983 PolarHBondContact O-N 2.94Å; I980-G983 PolarHBondContact O-N 3.07Å; S981-G983 VanDerWaalsContact C-N 3.34Å; G983-H985 PolarHBondContact O-CD2 3.48Å; G983-H985 PolarHBondContact O-N 3.32Å
984	V	85.3	Confident	88	Confident	14 Å²	14	46.3 Å²	46.3	9%	0.085	26%	0.259	C	S	.	.			trans	-87	102	-174	-175	0	0	0	0	110.8	F979 A982 L992	F979-V984 HydrophobicContact CB-CB 4.27Å; F979-V984 HydrophobicContact CD1-CB 3.87Å; F979-V984 HydrophobicContact CD1-CG1 3.49Å; F979-V984 VanDerWaalsContact CD1-CG1 3.49Å; F979-V984 HydrophobicContact CE1-CG1 3.97Å; F979-V984 HydrophobicContact CG-CB 4.41Å; F979-V984 HydrophobicContact CG-CG1 4.47Å; F979-V984 WeakPolarHBondContact O-CB 3.33Å; F979-V984 PolarHBondContact O-N 3.15Å; A982-V984 VanDerWaalsContact C-N 3.28Å; A982-V984 HydrophobicContact CB-CG2 3.97Å; A982-V984 PolarHBondContact O-N 3.33Å; V984-L992 HydrophobicContact CG1-CD1 3.75Å; V984-L992 HydrophobicContact CG1-CD2 3.86Å; V984-L992 HydrophobicContact CG1-CG 4.25Å; V984-L992 HydrophobicContact CG2-CD2 4.15Å
985	H	81.6	Confident	88.1	Confident	52 Å²	52	51 Å²	51	24%	0.241	28%	0.279	C	S	.	.			trans	-99.7	162.8	174.5	-60.5	-64.5	0	0	0	112.4	T905 G983 P987 F988	T905-H985 HydrophobicContact CG2-CB 3.81Å; T905-H985 PolarHBondContact OG1-ND1 2.98Å; G983-H985 PolarHBondContact O-CD2 3.48Å; G983-H985 PolarHBondContact O-N 3.32Å; H985-P987 VanDerWaalsContact C-CD 3.4Å; H985-P987 VanDerWaalsContact C-N 3.33Å; H985-P987 VanDerWaalsContact O-N 3.11Å; H985-F988 HydrophobicContact CB-CD2 4.08Å; H985-F988 WeakPolarHBondContact O-CB 3.48Å; H985-F988 PolarHBondContact O-N 3.03Å
986	C	81.2	Confident	88.1	Confident	33 Å²	33	53.7 Å²	53.7	22%	0.223	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-47.8	-40.1	-178.5	-68.3	0	0	0	0	115.7	T905 F988 L989	T905-C986 PolarHBondContact O-SG 2.81Å; C986-F988 PolarHBondContact O-N 2.92Å; C986-L989 HydrophobicContact CB-CD1 4.31Å; C986-L989 WeakPolarHBondContact O-CB 3.45Å; C986-L989 WeakPolarHBondContact O-CG 3.49Å; C986-L989 PolarHBondContact O-N 3.49Å
987	P	77.8	Confident	88.1	Confident	90 Å²	90	53.7 Å²	53.7	58%	0.584	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-63.9	-21.2	176.4	-24.2	36	0	0	0	115.1	H985 P990	H985-P987 VanDerWaalsContact C-CD 3.4Å; H985-P987 VanDerWaalsContact C-N 3.33Å; H985-P987 VanDerWaalsContact O-N 3.11Å; P987-P990 WeakPolarHBondContact O-CD 3.41Å
988	F	81.9	Confident	88.2	Confident	116 Å²	116	56 Å²	56	51%	0.509	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-90	-12.8	-179.8	-63.5	-73.8	0	0	0	113.6	H985 C986 P990 Y991	H985-F988 HydrophobicContact CB-CD2 4.08Å; H985-F988 WeakPolarHBondContact O-CB 3.48Å; H985-F988 PolarHBondContact O-N 3.03Å; C986-F988 PolarHBondContact O-N 2.92Å; F988-P990 VanDerWaalsContact C-N 3.33Å; F988-Y991 PolarHBondContact O-N 2.87Å
989	L	86.3	Confident	88.1	Confident	10 Å²	10	59.6 Å²	59.6	5%	0.052	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-46.5	-44.8	178.5	-74.7	169.2	0	0	0	114.1	I907 W910 F979 C986 Y991 L992 I1016	I907-L989 HydrophobicContact CD1-CD1 4.01Å; I907-L989 HydrophobicContact CD1-CD2 3.86Å; I907-L989 HydrophobicContact CD1-CG 4.03Å; W910-L989 HydrophobicContact CD2-CD1 3.49Å; W910-L989 VanDerWaalsContact CD2-CD1 3.49Å; W910-L989 HydrophobicContact CD2-CD2 4.23Å; W910-L989 HydrophobicContact CE3-CD1 3.94Å; W910-L989 HydrophobicContact CE3-CD2 3.85Å; W910-L989 HydrophobicContact CG-CD1 3.75Å; W910-L989 HydrophobicContact CH2-CD2 3.96Å; W910-L989 HydrophobicContact CZ2-CD1 4.22Å; W910-L989 HydrophobicContact CZ2-CD2 4.29Å; W910-L989 HydrophobicContact CZ3-CD1 4.48Å; W910-L989 HydrophobicContact CZ3-CD2 3.71Å; F979-L989 HydrophobicContact CE1-CD2 3.95Å; C986-L989 HydrophobicContact CB-CD1 4.31Å; C986-L989 WeakPolarHBondContact O-CB 3.45Å; C986-L989 WeakPolarHBondContact O-CG 3.49Å; C986-L989 PolarHBondContact O-N 3.49Å; L989-Y991 PolarHBondContact O-N 2.89Å; L989-Y991 VanDerWaalsContact O-N 3.08Å; L989-L992 HydrophobicContact CD2-CD1 3.82Å; L989-L992 PolarHBondContact O-N 3.43Å; L989-I1016 HydrophobicContact CB-CD1 4.46Å; L989-I1016 HydrophobicContact CB-CG1 4.25Å; L989-I1016 HydrophobicContact CD2-CD1 4.01Å; L989-I1016 HydrophobicContact CD2-CG1 4.11Å; L989-I1016 WeakPolarHBondContact O-CG2 3.35Å
990	P	84.4	Confident	88	Confident	69 Å²	69	64.1 Å²	64.1	45%	0.448	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-64.6	-13.1	-179.1	-23.1	36.3	0	0	0	115.5	P987 F988 I1020	P987-P990 WeakPolarHBondContact O-CD 3.41Å; F988-P990 VanDerWaalsContact C-N 3.33Å; P990-I1020 HydrophobicContact CB-CD1 3.82Å; P990-I1020 HydrophobicContact CG-CD1 4.15Å
991	Y	86.4	Confident	88	Confident	181 Å²	181	63 Å²	63	71%	0.71	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-105.8	-1.6	-175.7	-54.3	-79.5	0	0	0	113.2	F988 L989	F988-Y991 PolarHBondContact O-N 2.87Å; L989-Y991 PolarHBondContact O-N 2.89Å; L989-Y991 VanDerWaalsContact O-N 3.08Å
992	L	89.1	Confident	88.1	Confident	26 Å²	26	65.5 Å²	65.5	14%	0.136	35%	0.345	C	S	.	.			trans	-71	140.3	179.8	-68.6	170.4	0	0	0	112	F979 V984 L989 L997 I1016	F979-L992 HydrophobicContact CE1-CD1 3.83Å; V984-L992 HydrophobicContact CG1-CD1 3.75Å; V984-L992 HydrophobicContact CG1-CD2 3.86Å; V984-L992 HydrophobicContact CG1-CG 4.25Å; V984-L992 HydrophobicContact CG2-CD2 4.15Å; L989-L992 HydrophobicContact CD2-CD1 3.82Å; L989-L992 PolarHBondContact O-N 3.43Å; L992-L997 HydrophobicContact CD1-CD2 4.21Å; L992-I1016 HydrophobicContact CB-CD1 4.44Å; L992-I1016 HydrophobicContact CD1-CD1 4.09Å
993	S	91.2	Very high	88.1	Confident	47 Å²	47	63.7 Å²	63.7	33%	0.329	33%	0.33	S	S	.	.			trans	-114.3	158.8	172.9	65	0	0	0	0	111	K995 M996 L997	S993-K995 PolarHBondContact O-N 2.92Å; S993-M996 PolarHBondContact O-N 3.03Å; S993-M996 VanDerWaalsContact O-N 3.1Å; S993-M996 WeakPolarHBondContact OG-CG 3.45Å; S993-M996 PolarHBondContact OG-N 2.89Å; S993-M996 PolarHBondContact OG-SD 2.89Å; S993-L997 WeakPolarHBondContact O-CG 3.48Å; S993-L997 PolarHBondContact O-N 2.91Å
994	D	92.9	Very high	88.2	Confident	63 Å²	63	68.3 Å²	68.3	34%	0.337	34%	0.339	S	S	.	.	H	α-helix	trans	-55.5	-34	173.4	-168.4	70.5	0	0	0	111.8	L997 L998 R1009 L1013	D994-L997 PolarHBondContact O-N 3.34Å; D994-L998 WeakPolarHBondContact O-CB 3.44Å; D994-L998 PolarHBondContact O-N 3.28Å; D994-R1009 PolarHBondContact O-NE 3.4Å; D994-R1009 WeakPolarHBondContact OD1-CB 3.28Å; D994-R1009 IonicContact OD1-CZ 3.61Å; D994-R1009 IonicContact OD1-NE 2.81Å; D994-R1009 PolarHBondContact OD1-NE 3.05Å; D994-R1009 IonicContact OD1-NH2 3.39Å; D994-R1009 IonicContact OD2-CZ 3.51Å; D994-R1009 IonicContact OD2-NE 2.81Å; D994-R1009 PolarHBondContact OD2-NE 3.42Å; D994-R1009 VanDerWaalsContact OD2-NE 3.12Å; D994-R1009 IonicContact OD2-NH2 3.55Å; D994-R1009 PolarHBondContact OD2-NH2 2.7Å; D994-L1013 HydrophobicContact CB-CD1 3.98Å
995	K	93.1	Very high	88.4	Confident	128 Å²	128	70.6 Å²	70.6	56%	0.557	35%	0.351	S	S	*	.	H	α-helix	trans	-62.1	-50.4	175.4	-166.5	-174.3	-176.8	-142.1	0	111.9	S993 L997 L998 E999	S993-K995 PolarHBondContact O-N 2.92Å; K995-L997 VanDerWaalsContact C-N 3.33Å; K995-L997 PolarHBondContact O-N 3.28Å; K995-L998 PolarHBondContact O-N 3.43Å; K995-E999 WeakPolarHBondContact CE-OE1 3.47Å; K995-E999 WeakPolarHBondContact CE-OE2 3.08Å; K995-E999 IonicContact NZ-OE1 2.88Å; K995-E999 IonicContact NZ-OE2 2.67Å; K995-E999 PolarHBondContact NZ-OE2 3.5Å; K995-E999 WeakPolarHBondContact O-CB 3.41Å; K995-E999 PolarHBondContact O-N 2.89Å
996	M	92.2	Very high	88.7	Confident	82 Å²	82	69.8 Å²	69.8	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-38.1	177.6	-70.6	153.4	162.6	0	0	112.2	S993 L998 D1000 C1001	S993-M996 PolarHBondContact O-N 3.03Å; S993-M996 VanDerWaalsContact O-N 3.1Å; S993-M996 WeakPolarHBondContact OG-CG 3.45Å; S993-M996 PolarHBondContact OG-N 2.89Å; S993-M996 PolarHBondContact OG-SD 2.89Å; M996-L998 VanDerWaalsContact C-N 3.27Å; M996-L998 PolarHBondContact O-N 3.47Å; M996-D1000 VanDerWaalsContact CA-OD2 3.26Å; M996-D1000 WeakPolarHBondContact CA-OD2 3.36Å; M996-D1000 WeakPolarHBondContact CB-OD2 3.44Å; M996-D1000 WeakPolarHBondContact CG-OD2 3.24Å; M996-D1000 WeakPolarHBondContact O-CB 3.49Å; M996-D1000 PolarHBondContact O-N 3.35Å; M996-C1001 PolarHBondContact O-N 3.34Å
997	L	93.4	Very high	89.1	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.8	-30.5	175.5	-70.3	174	0	0	0	112.1	F979 L992 S993 D994 K995 I1003 R1009 I1012 L1013	F979-L997 HydrophobicContact CE1-CD2 4.34Å; F979-L997 HydrophobicContact CE2-CD2 4.21Å; F979-L997 HydrophobicContact CZ-CD2 3.72Å; L992-L997 HydrophobicContact CD1-CD2 4.21Å; S993-L997 WeakPolarHBondContact O-CG 3.48Å; S993-L997 PolarHBondContact O-N 2.91Å; D994-L997 PolarHBondContact O-N 3.34Å; K995-L997 VanDerWaalsContact C-N 3.33Å; K995-L997 PolarHBondContact O-N 3.28Å; L997-I1003 HydrophobicContact CD2-CD1 4.17Å; L997-I1003 WeakPolarHBondContact O-CA 3.42Å; L997-I1003 VanDerWaalsContact O-CB 3.24Å; L997-I1003 WeakPolarHBondContact O-CB 3.44Å; L997-I1003 WeakPolarHBondContact O-CG1 3.26Å; L997-I1003 PolarHBondContact O-N 2.85Å; L997-R1009 HydrophobicContact CB-CB 4.28Å; L997-R1009 HydrophobicContact CB-CG 3.87Å; L997-R1009 HydrophobicContact CD1-CB 4.21Å; L997-I1012 HydrophobicContact CD1-CB 4.39Å; L997-I1012 HydrophobicContact CD1-CG2 3.81Å; L997-I1012 HydrophobicContact CD2-CG2 4.18Å; L997-L1013 HydrophobicContact CD1-CD1 4.24Å; L997-L1013 HydrophobicContact CD1-CD2 3.88Å; L997-L1013 HydrophobicContact CD1-CG 3.79Å
998	L	93.8	Very high	89.7	Confident	69 Å²	69	69.1 Å²	69.1	36%	0.361	34%	0.344	S	S	.	.	H	α-helix	trans	-82.5	-51.7	175.9	174.7	58.6	0	0	0	113	D994 K995 M996 H1002	D994-L998 WeakPolarHBondContact O-CB 3.44Å; D994-L998 PolarHBondContact O-N 3.28Å; K995-L998 PolarHBondContact O-N 3.43Å; M996-L998 VanDerWaalsContact C-N 3.27Å; M996-L998 PolarHBondContact O-N 3.47Å; L998-H1002 VanDerWaalsContact O-CA 3.25Å; L998-H1002 WeakPolarHBondContact O-CA 3.38Å; L998-H1002 PolarHBondContact O-N 3.35Å
999	E	91.5	Very high	90.3	Very high	100 Å²	100	64.9 Å²	64.9	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-81.6	-53.7	-171.8	-71.5	178.8	-162	0	0	111.4	K995 H1002	K995-E999 WeakPolarHBondContact CE-OE1 3.47Å; K995-E999 WeakPolarHBondContact CE-OE2 3.08Å; K995-E999 IonicContact NZ-OE1 2.88Å; K995-E999 IonicContact NZ-OE2 2.67Å; K995-E999 PolarHBondContact NZ-OE2 3.5Å; K995-E999 WeakPolarHBondContact O-CB 3.41Å; K995-E999 PolarHBondContact O-N 2.89Å; E999-H1002 PolarHBondContact O-CE1 3.43Å; E999-H1002 PolarHBondContact O-ND1 3.49Å
1000	D	90.9	Very high	90.5	Very high	94 Å²	94	70.4 Å²	70.4	50%	0.503	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-44.6	-174.3	-49.1	-59.8	0	0	0	112.2	M996 H1002	M996-D1000 VanDerWaalsContact CA-OD2 3.26Å; M996-D1000 WeakPolarHBondContact CA-OD2 3.36Å; M996-D1000 WeakPolarHBondContact CB-OD2 3.44Å; M996-D1000 WeakPolarHBondContact CG-OD2 3.24Å; M996-D1000 WeakPolarHBondContact O-CB 3.49Å; M996-D1000 PolarHBondContact O-N 3.35Å; D1000-H1002 VanDerWaalsContact C-N 3.33Å
1001	C	90.2	Very high	90.7	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.007	33%	0.334	C	S	.	.	S	Bend	trans	-86.2	-2.7	178.7	-55	0	0	0	0	113.3	N978 M996 I1003	N978-C1001 WeakPolarHBondContact CB-O 3.33Å; N978-C1001 PolarHBondContact ND2-O 3.01Å; M996-C1001 PolarHBondContact O-N 3.34Å; C1001-I1003 HydrophobicContact CB-CD1 4.1Å; C1001-I1003 HydrophobicContact CB-CG1 3.96Å; C1001-I1003 WeakPolarHBondContact O-CG1 3.47Å; C1001-I1003 PolarHBondContact O-N 3.41Å; C1001-I1003 VanDerWaalsContact O-N 3.13Å
1002	H	90.3	Very high	91	Very high	122 Å²	122	60.3 Å²	60.3	57%	0.565	30%	0.3	S	S	*	.			trans	56	25.1	178.5	-55.1	-24.4	0	0	0	115.7	L998 E999 D1000 K1004	L998-H1002 VanDerWaalsContact O-CA 3.25Å; L998-H1002 WeakPolarHBondContact O-CA 3.38Å; L998-H1002 PolarHBondContact O-N 3.35Å; E999-H1002 PolarHBondContact O-CE1 3.43Å; E999-H1002 PolarHBondContact O-ND1 3.49Å; D1000-H1002 VanDerWaalsContact C-N 3.33Å; H1002-K1004 VanDerWaalsContact C-N 3.35Å; H1002-K1004 PolarHBondContact O-N 3.27Å
1003	I	91.1	Very high	91	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.302	C	S	.	.			trans	-81.9	79.8	-177	-51	-179	0	0	0	109.8	Y975 F979 L997 C1001 N1005 H1008 R1009 I1012	Y975-I1003 HydrophobicContact CD1-CD1 4.24Å; Y975-I1003 HydrophobicContact CD1-CG1 3.92Å; Y975-I1003 HydrophobicContact CD1-CG2 4.23Å; Y975-I1003 HydrophobicContact CD2-CD1 4.28Å; Y975-I1003 HydrophobicContact CD2-CG2 4.31Å; Y975-I1003 HydrophobicContact CE1-CG1 4.41Å; Y975-I1003 HydrophobicContact CE1-CG2 3.97Å; Y975-I1003 HydrophobicContact CE2-CG2 4.03Å; Y975-I1003 HydrophobicContact CG-CD1 3.89Å; Y975-I1003 HydrophobicContact CG-CG1 4.1Å; Y975-I1003 HydrophobicContact CG-CG2 4.41Å; F979-I1003 HydrophobicContact CD2-CD1 4.34Å; F979-I1003 HydrophobicContact CE2-CD1 3.66Å; L997-I1003 HydrophobicContact CD2-CD1 4.17Å; L997-I1003 WeakPolarHBondContact O-CA 3.42Å; L997-I1003 VanDerWaalsContact O-CB 3.24Å; L997-I1003 WeakPolarHBondContact O-CB 3.44Å; L997-I1003 WeakPolarHBondContact O-CG1 3.26Å; L997-I1003 PolarHBondContact O-N 2.85Å; C1001-I1003 HydrophobicContact CB-CD1 4.1Å; C1001-I1003 HydrophobicContact CB-CG1 3.96Å; C1001-I1003 WeakPolarHBondContact O-CG1 3.47Å; C1001-I1003 PolarHBondContact O-N 3.41Å; C1001-I1003 VanDerWaalsContact O-N 3.13Å; I1003-N1005 PolarHBondContact O-N 2.81Å; I1003-N1005 VanDerWaalsContact O-N 3.16Å; I1003-H1008 HydrophobicContact CG2-CB 4.21Å; I1003-R1009 HydrophobicContact CB-CG 3.83Å; I1003-R1009 HydrophobicContact CG2-CG 3.7Å; I1003-R1009 WeakPolarHBondContact O-CD 3.46Å; I1003-R1009 WeakPolarHBondContact O-CG 3.43Å; I1003-R1009 PolarHBondContact O-NH1 2.93Å; I1003-I1012 HydrophobicContact CD1-CD1 3.81Å
1004	K	88.5	Confident	90.9	Very high	138 Å²	138	61.7 Å²	61.7	60%	0.6	30%	0.301	S	S	*	.			trans	-56.7	-32.7	-176	-58.9	-179.8	-169.8	177.2	0	113.2	D867 H1002 G1006 R1009	D867-K1004 IonicContact OD2-NZ 2.72Å; D867-K1004 PolarHBondContact OD2-NZ 3.35Å; H1002-K1004 VanDerWaalsContact C-N 3.35Å; H1002-K1004 PolarHBondContact O-N 3.27Å; K1004-G1006 PolarHBondContact O-N 3.15Å; K1004-R1009 PolarHBondContact O-NH1 3.2Å; K1004-R1009 VanDerWaalsContact O-NH1 3.12Å
1005	N	88.8	Confident	90.7	Very high	62 Å²	62	58.7 Å²	58.7	33%	0.332	29%	0.286	S	S	.	.			trans	-74.5	106.5	178.9	-175.7	-19.2	0	0	0	112.5	I1003 I1007 H1008 R1009	I1003-N1005 PolarHBondContact O-N 2.81Å; I1003-N1005 VanDerWaalsContact O-N 3.16Å; N1005-I1007 VanDerWaalsContact C-N 3.31Å; N1005-I1007 PolarHBondContact O-N 2.87Å; N1005-I1007 WeakPolarHBondContact OD1-CB 3.23Å; N1005-I1007 PolarHBondContact OD1-N 3.13Å; N1005-H1008 HydrophobicContact CB-CB 4.26Å; N1005-H1008 PolarHBondContact ND2-CD2 2.87Å; N1005-H1008 PolarHBondContact ND2-CE1 2.93Å; N1005-H1008 PolarHBondContact ND2-ND1 3.32Å; N1005-H1008 PolarHBondContact ND2-NE2 2.62Å; N1005-H1008 PolarHBondContact O-N 3.18Å; N1005-H1008 VanDerWaalsContact O-N 3.11Å; N1005-H1008 PolarHBondContact OD1-N 3.49Å; N1005-R1009 PolarHBondContact O-N 3.16Å
1006	G	88.2	Confident	90.4	Very high	34 Å²	34	53.1 Å²	53.1	35%	0.351	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-25.1	-180	0	0	0	0	0	115.3	K1004 H1008 K1010	K1004-G1006 PolarHBondContact O-N 3.15Å; G1006-H1008 VanDerWaalsContact C-N 3.3Å; G1006-K1010 WeakPolarHBondContact O-CB 3.25Å; G1006-K1010 PolarHBondContact O-N 2.64Å
1007	I	89	Confident	90	Very high	104 Å²	104	55.5 Å²	55.5	53%	0.533	27%	0.272	S	S	.	.	H	α-helix	trans	-67.5	-37.1	173.9	-56.8	177.1	0	0	0	109.6	N1005 K1010 R1011	N1005-I1007 VanDerWaalsContact C-N 3.31Å; N1005-I1007 PolarHBondContact O-N 2.87Å; N1005-I1007 WeakPolarHBondContact OD1-CB 3.23Å; N1005-I1007 PolarHBondContact OD1-N 3.13Å; I1007-K1010 PolarHBondContact O-N 2.86Å; I1007-R1011 WeakPolarHBondContact O-CG 3.4Å; I1007-R1011 PolarHBondContact O-N 3.44Å
1008	H	91.5	Very high	89.3	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.028	28%	0.284	C	S	.	.	H	α-helix	trans	-73.7	-41.8	-179.7	-64.1	-177.7	0	0	0	111.3	S969 L972 Y975 I1003 N1005 G1006 K1010 R1011 I1012	S969-H1008 PolarHBondContact O-CE1 3.31Å; S969-H1008 PolarHBondContact O-NE2 2.89Å; L972-H1008 HydrophobicContact CD2-CB 3.96Å; Y975-H1008 HydrophobicContact CE2-CB 3.85Å; Y975-H1008 AromaticContact CE2-ND1 3.47Å; Y975-H1008 WeakPolarHBondContact CE2-ND1 3.42Å; Y975-H1008 AromaticContact CZ-ND1 3.62Å; Y975-H1008 PolarHBondContact OH-ND1 2.9Å; I1003-H1008 HydrophobicContact CG2-CB 4.21Å; N1005-H1008 HydrophobicContact CB-CB 4.26Å; N1005-H1008 PolarHBondContact ND2-CD2 2.87Å; N1005-H1008 PolarHBondContact ND2-CE1 2.93Å; N1005-H1008 PolarHBondContact ND2-ND1 3.32Å; N1005-H1008 PolarHBondContact ND2-NE2 2.62Å; N1005-H1008 PolarHBondContact O-N 3.18Å; N1005-H1008 VanDerWaalsContact O-N 3.11Å; N1005-H1008 PolarHBondContact OD1-N 3.49Å; G1006-H1008 VanDerWaalsContact C-N 3.3Å; H1008-K1010 VanDerWaalsContact C-N 3.33Å; H1008-K1010 PolarHBondContact O-N 2.93Å; H1008-R1011 PolarHBondContact O-N 3.38Å; H1008-I1012 WeakPolarHBondContact O-CB 3.36Å; H1008-I1012 WeakPolarHBondContact O-CD1 3.47Å; H1008-I1012 VanDerWaalsContact O-CG1 3.25Å; H1008-I1012 WeakPolarHBondContact O-CG1 3.44Å; H1008-I1012 PolarHBondContact O-N 3.36Å
1009	R	93.1	Very high	88.3	Confident	26 Å²	26	56 Å²	56	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-44.1	171	-58.5	-165.1	-52.4	-92.6	8.4	112	D994 L997 I1003 K1004 N1005 I1012 L1013	D994-R1009 PolarHBondContact O-NE 3.4Å; D994-R1009 WeakPolarHBondContact OD1-CB 3.28Å; D994-R1009 IonicContact OD1-CZ 3.61Å; D994-R1009 IonicContact OD1-NE 2.81Å; D994-R1009 PolarHBondContact OD1-NE 3.05Å; D994-R1009 IonicContact OD1-NH2 3.39Å; D994-R1009 IonicContact OD2-CZ 3.51Å; D994-R1009 IonicContact OD2-NE 2.81Å; D994-R1009 PolarHBondContact OD2-NE 3.42Å; D994-R1009 VanDerWaalsContact OD2-NE 3.12Å; D994-R1009 IonicContact OD2-NH2 3.55Å; D994-R1009 PolarHBondContact OD2-NH2 2.7Å; L997-R1009 HydrophobicContact CB-CB 4.28Å; L997-R1009 HydrophobicContact CB-CG 3.87Å; L997-R1009 HydrophobicContact CD1-CB 4.21Å; I1003-R1009 HydrophobicContact CB-CG 3.83Å; I1003-R1009 HydrophobicContact CG2-CG 3.7Å; I1003-R1009 WeakPolarHBondContact O-CD 3.46Å; I1003-R1009 WeakPolarHBondContact O-CG 3.43Å; I1003-R1009 PolarHBondContact O-NH1 2.93Å; K1004-R1009 PolarHBondContact O-NH1 3.2Å; K1004-R1009 VanDerWaalsContact O-NH1 3.12Å; N1005-R1009 PolarHBondContact O-N 3.16Å; R1009-I1012 WeakPolarHBondContact O-CB 3.27Å; R1009-I1012 PolarHBondContact O-N 2.86Å; R1009-L1013 VanDerWaalsContact O-CG 3.32Å; R1009-L1013 WeakPolarHBondContact O-CG 3.38Å; R1009-L1013 PolarHBondContact O-N 3.4Å
1010	K	90.1	Very high	87.3	Confident	126 Å²	126	54.2 Å²	54.2	55%	0.548	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-48.7	175.5	-171.9	172.5	-171.3	-88.1	0	112.2	G1006 I1007 H1008 I1012 L1013 E1014	G1006-K1010 WeakPolarHBondContact O-CB 3.25Å; G1006-K1010 PolarHBondContact O-N 2.64Å; I1007-K1010 PolarHBondContact O-N 2.86Å; H1008-K1010 VanDerWaalsContact C-N 3.33Å; H1008-K1010 PolarHBondContact O-N 2.93Å; K1010-I1012 VanDerWaalsContact C-N 3.35Å; K1010-I1012 PolarHBondContact O-N 3.37Å; K1010-L1013 PolarHBondContact O-N 2.92Å; K1010-E1014 WeakPolarHBondContact CE-OE1 3.21Å; K1010-E1014 HydrophobicContact CG-CG 4.47Å; K1010-E1014 IonicContact NZ-OE1 3.44Å; K1010-E1014 PolarHBondContact NZ-OE1 2.67Å; K1010-E1014 WeakPolarHBondContact O-CG 3.38Å; K1010-E1014 PolarHBondContact O-N 2.81Å
1011	R	89.9	Confident	85.7	Confident	38 Å²	38	52.5 Å²	52.5	14%	0.143	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-42.4	176	-79.5	-175.4	-166.7	140.3	8.3	112.9	T918 F970 L972 I1007 H1008 E1014 A1015	T918-R1011 HydrophobicContact CG2-CB 3.87Å; T918-R1011 HydrophobicContact CG2-CG 4.13Å; T918-R1011 WeakPolarHBondContact CG2-O 3.36Å; F970-R1011 VanDerWaalsContact CD2-NH1 3.28Å; L972-R1011 HydrophobicContact CD1-CB 4.39Å; I1007-R1011 WeakPolarHBondContact O-CG 3.4Å; I1007-R1011 PolarHBondContact O-N 3.44Å; H1008-R1011 PolarHBondContact O-N 3.38Å; R1011-E1014 PolarHBondContact O-N 2.82Å; R1011-A1015 WeakPolarHBondContact O-CB 3.42Å; R1011-A1015 PolarHBondContact O-N 3.19Å
1012	I	91.4	Very high	83.9	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-48.7	175.3	-74	165.1	0	0	0	110.2	W910 L972 Y975 F979 L997 I1003 H1008 R1009 K1010 E1014 A1015 I1016	W910-I1012 HydrophobicContact CH2-CG2 4.21Å; W910-I1012 HydrophobicContact CZ3-CG2 4.44Å; L972-I1012 HydrophobicContact CD1-CG1 3.97Å; L972-I1012 HydrophobicContact CD2-CD1 4.43Å; L972-I1012 HydrophobicContact CD2-CG1 4.22Å; Y975-I1012 HydrophobicContact CD2-CD1 4.45Å; F979-I1012 HydrophobicContact CE2-CD1 4.07Å; F979-I1012 HydrophobicContact CZ-CD1 4.17Å; F979-I1012 HydrophobicContact CZ-CG2 3.92Å; L997-I1012 HydrophobicContact CD1-CB 4.39Å; L997-I1012 HydrophobicContact CD1-CG2 3.81Å; L997-I1012 HydrophobicContact CD2-CG2 4.18Å; I1003-I1012 HydrophobicContact CD1-CD1 3.81Å; H1008-I1012 WeakPolarHBondContact O-CB 3.36Å; H1008-I1012 WeakPolarHBondContact O-CD1 3.47Å; H1008-I1012 VanDerWaalsContact O-CG1 3.25Å; H1008-I1012 WeakPolarHBondContact O-CG1 3.44Å; H1008-I1012 PolarHBondContact O-N 3.36Å; R1009-I1012 WeakPolarHBondContact O-CB 3.27Å; R1009-I1012 PolarHBondContact O-N 2.86Å; K1010-I1012 VanDerWaalsContact C-N 3.35Å; K1010-I1012 PolarHBondContact O-N 3.37Å; I1012-E1014 PolarHBondContact O-N 3Å; I1012-A1015 PolarHBondContact O-N 3.14Å; I1012-I1016 HydrophobicContact CG2-CD1 3.87Å; I1012-I1016 VanDerWaalsContact O-CG1 3.26Å; I1012-I1016 WeakPolarHBondContact O-CG1 3.27Å; I1012-I1016 PolarHBondContact O-N 3.48Å
1013	L	90.6	Very high	81.9	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.188	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-39	178.4	-66.6	167.5	0	0	0	112.5	D994 L997 R1009 K1010 I1016 Q1017	D994-L1013 HydrophobicContact CB-CD1 3.98Å; L997-L1013 HydrophobicContact CD1-CD1 4.24Å; L997-L1013 HydrophobicContact CD1-CD2 3.88Å; L997-L1013 HydrophobicContact CD1-CG 3.79Å; R1009-L1013 VanDerWaalsContact O-CG 3.32Å; R1009-L1013 WeakPolarHBondContact O-CG 3.38Å; R1009-L1013 PolarHBondContact O-N 3.4Å; K1010-L1013 PolarHBondContact O-N 2.92Å; L1013-I1016 HydrophobicContact CD2-CD1 4.42Å; L1013-I1016 PolarHBondContact O-N 2.86Å; L1013-Q1017 VanDerWaalsContact O-CG 3.31Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.43Å; L1013-Q1017 PolarHBondContact O-N 3.12Å
1014	E	88.1	Confident	79.5	Confident	66 Å²	66	61.2 Å²	61.2	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-63.8	-39.1	173.7	-73.1	168.6	166.7	0	0	112.1	K1010 R1011 I1012 Q1017 S1018	K1010-E1014 WeakPolarHBondContact CE-OE1 3.21Å; K1010-E1014 HydrophobicContact CG-CG 4.47Å; K1010-E1014 IonicContact NZ-OE1 3.44Å; K1010-E1014 PolarHBondContact NZ-OE1 2.67Å; K1010-E1014 WeakPolarHBondContact O-CG 3.38Å; K1010-E1014 PolarHBondContact O-N 2.81Å; R1011-E1014 PolarHBondContact O-N 2.82Å; I1012-E1014 PolarHBondContact O-N 3Å; E1014-Q1017 PolarHBondContact O-N 3.32Å; E1014-S1018 WeakPolarHBondContact O-CB 3.47Å; E1014-S1018 PolarHBondContact O-N 3.24Å; E1014-S1018 PolarHBondContact O-OG 2.6Å
1015	A	88	Confident	77.1	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-38.8	175	0	0	0	0	0	112.4	W910 A914 T918 R1011 I1012 S1018 S1019	W910-A1015 HydrophobicContact CH2-CB 4.23Å; W910-A1015 HydrophobicContact CZ2-CB 3.99Å; A914-A1015 HydrophobicContact CB-CB 3.55Å; T918-A1015 HydrophobicContact CG2-CB 4.25Å; R1011-A1015 WeakPolarHBondContact O-CB 3.42Å; R1011-A1015 PolarHBondContact O-N 3.19Å; I1012-A1015 PolarHBondContact O-N 3.14Å; A1015-S1018 PolarHBondContact O-N 3.29Å; A1015-S1019 PolarHBondContact O-N 3.34Å; A1015-S1019 PolarHBondContact O-OG 3.33Å
1016	I	87.3	Confident	74.7	Confident	10 Å²	10	63.7 Å²	63.7	5%	0.051	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-48.6	173.3	-68	162.7	0	0	0	110.2	W910 L989 L992 I1012 L1013 S1018 S1019 I1020	W910-I1016 HydrophobicContact CH2-CD1 4.2Å; W910-I1016 HydrophobicContact CH2-CG1 3.58Å; W910-I1016 HydrophobicContact CZ2-CG1 3.56Å; L989-I1016 HydrophobicContact CB-CD1 4.46Å; L989-I1016 HydrophobicContact CB-CG1 4.25Å; L989-I1016 HydrophobicContact CD2-CD1 4.01Å; L989-I1016 HydrophobicContact CD2-CG1 4.11Å; L989-I1016 WeakPolarHBondContact O-CG2 3.35Å; L992-I1016 HydrophobicContact CB-CD1 4.44Å; L992-I1016 HydrophobicContact CD1-CD1 4.09Å; I1012-I1016 HydrophobicContact CG2-CD1 3.87Å; I1012-I1016 VanDerWaalsContact O-CG1 3.26Å; I1012-I1016 WeakPolarHBondContact O-CG1 3.27Å; I1012-I1016 PolarHBondContact O-N 3.48Å; L1013-I1016 HydrophobicContact CD2-CD1 4.42Å; L1013-I1016 PolarHBondContact O-N 2.86Å; I1016-S1018 VanDerWaalsContact C-N 3.3Å; I1016-S1018 PolarHBondContact O-N 2.73Å; I1016-S1019 PolarHBondContact O-N 3.23Å; I1016-S1019 PolarHBondContact O-OG 2.94Å; I1016-I1020 HydrophobicContact CG2-CD1 3.78Å; I1016-I1020 WeakPolarHBondContact O-CD1 3.47Å; I1016-I1020 VanDerWaalsContact O-CG1 3.27Å; I1016-I1020 WeakPolarHBondContact O-CG1 3.38Å; I1016-I1020 PolarHBondContact O-N 3.31Å; I1016-I1020 VanDerWaalsContact O-N 3.12Å
1017	Q	83.8	Confident	72.2	Confident	133 Å²	133	69.3 Å²	69.3	62%	0.621	34%	0.34	S	S	*	.	H	α-helix	trans	-61.3	-40.3	176.9	-71.1	172.2	12.5	0	0	111.8	L1013 E1014 I1020 S1021	L1013-Q1017 VanDerWaalsContact O-CG 3.31Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.43Å; L1013-Q1017 PolarHBondContact O-N 3.12Å; E1014-Q1017 PolarHBondContact O-N 3.32Å; Q1017-I1020 PolarHBondContact O-N 3.29Å; Q1017-S1021 WeakPolarHBondContact O-CB 3.15Å; Q1017-S1021 PolarHBondContact O-N 3.47Å
1018	S	79.6	Confident	69.5	Low	36 Å²	36	70.2 Å²	70.2	25%	0.252	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-45.6	178	-59.4	0	0	0	0	112.2	E1014 A1015 I1016 I1020 S1021 I1022	E1014-S1018 WeakPolarHBondContact O-CB 3.47Å; E1014-S1018 PolarHBondContact O-N 3.24Å; E1014-S1018 PolarHBondContact O-OG 2.6Å; A1015-S1018 PolarHBondContact O-N 3.29Å; I1016-S1018 VanDerWaalsContact C-N 3.3Å; I1016-S1018 PolarHBondContact O-N 2.73Å; S1018-I1020 PolarHBondContact O-N 3.41Å; S1018-S1021 PolarHBondContact O-N 3.46Å; S1018-I1022 WeakPolarHBondContact O-CG1 3.36Å; S1018-I1022 PolarHBondContact O-N 3.1Å
1019	S	72.7	Confident	66.8	Low	44 Å²	44	75.4 Å²	75.4	31%	0.308	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-38.7	179.5	67.5	0	0	0	0	112.4	A1015 I1016 H1023	A1015-S1019 PolarHBondContact O-N 3.34Å; A1015-S1019 PolarHBondContact O-OG 3.33Å; I1016-S1019 PolarHBondContact O-N 3.23Å; I1016-S1019 PolarHBondContact O-OG 2.94Å; S1019-H1023 PolarHBondContact O-N 3.3Å; S1019-H1023 VanDerWaalsContact O-N 3.15Å
1020	I	69.1	Low	63.9	Low	62 Å²	62	80.6 Å²	80.6	32%	0.318	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-41.1	173.7	-65	164.8	0	0	0	110.9	P990 I1016 Q1017 S1018 H1023 N1024	P990-I1020 HydrophobicContact CB-CD1 3.82Å; P990-I1020 HydrophobicContact CG-CD1 4.15Å; I1016-I1020 HydrophobicContact CG2-CD1 3.78Å; I1016-I1020 WeakPolarHBondContact O-CD1 3.47Å; I1016-I1020 VanDerWaalsContact O-CG1 3.27Å; I1016-I1020 WeakPolarHBondContact O-CG1 3.38Å; I1016-I1020 PolarHBondContact O-N 3.31Å; I1016-I1020 VanDerWaalsContact O-N 3.12Å; Q1017-I1020 PolarHBondContact O-N 3.29Å; S1018-I1020 PolarHBondContact O-N 3.41Å; I1020-H1023 PolarHBondContact O-N 3.45Å; I1020-N1024 WeakPolarHBondContact O-CB 3.49Å; I1020-N1024 PolarHBondContact O-N 3.39Å; I1020-N1024 PolarHBondContact O-ND2 2.93Å
1021	S	58.5	Low	61	Low	58 Å²	58	80.9 Å²	80.9	41%	0.406	42%	0.415	S	S	.	.	H	α-helix	trans	-63.5	-44.9	179.4	-165	0	0	0	0	112	Q1017 S1018 H1023 N1024 Q1025	Q1017-S1021 WeakPolarHBondContact O-CB 3.15Å; Q1017-S1021 PolarHBondContact O-N 3.47Å; S1018-S1021 PolarHBondContact O-N 3.46Å; S1021-H1023 PolarHBondContact O-N 2.95Å; S1021-N1024 PolarHBondContact O-N 2.94Å; S1021-Q1025 WeakPolarHBondContact O-CG 3.16Å; S1021-Q1025 PolarHBondContact O-N 2.79Å
1022	I	53	Low	58.1	Low	95 Å²	95	86.5 Å²	86.5	49%	0.487	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-45.4	175.7	-67.2	164.4	0	0	0	110.9	S1018 N1024 Q1025 L1026	S1018-I1022 WeakPolarHBondContact O-CG1 3.36Å; S1018-I1022 PolarHBondContact O-N 3.1Å; I1022-N1024 PolarHBondContact O-N 3.32Å; I1022-Q1025 PolarHBondContact O-N 2.84Å; I1022-L1026 HydrophobicContact CG2-CD1 4.28Å; I1022-L1026 PolarHBondContact O-N 3.46Å; I1022-L1026 VanDerWaalsContact O-N 3.16Å
1023	H	47.8	Very low	55.4	Low	132 Å²	132	92.2 Å²	92.2	61%	0.611	49%	0.488	S	S	*	.	H	α-helix	trans	-64.6	-26.9	178.1	-169.7	78.3	0	0	0	113.5	S1019 I1020 S1021 R1027	S1019-H1023 PolarHBondContact O-N 3.3Å; S1019-H1023 VanDerWaalsContact O-N 3.15Å; I1020-H1023 PolarHBondContact O-N 3.45Å; S1021-H1023 PolarHBondContact O-N 2.95Å; H1023-R1027 PolarHBondContact NE2-NH2 3.27Å; H1023-R1027 WeakPolarHBondContact O-CG 3.25Å
1024	N	41.4	Very low	52.6	Low	79 Å²	79	100 Å²	100	42%	0.422	52%	0.521	S	S	.	.	H	α-helix	trans	-84.1	-36.3	174.8	-73.1	-25.3	0	0	0	112.9	I1020 S1021 I1022 L1026 R1027 L1028	I1020-N1024 WeakPolarHBondContact O-CB 3.49Å; I1020-N1024 PolarHBondContact O-N 3.39Å; I1020-N1024 PolarHBondContact O-ND2 2.93Å; S1021-N1024 PolarHBondContact O-N 2.94Å; I1022-N1024 PolarHBondContact O-N 3.32Å; N1024-L1026 VanDerWaalsContact C-N 3.31Å; N1024-L1026 PolarHBondContact O-N 3.49Å; N1024-R1027 WeakPolarHBondContact O-CB 3.25Å; N1024-R1027 PolarHBondContact O-N 3.3Å; N1024-L1028 WeakPolarHBondContact O-CG 3.38Å; N1024-L1028 PolarHBondContact O-N 3.05Å
1025	Q	37.9	Very low	49.7	Very low	127 Å²	127	104.2 Å²	104.2	59%	0.593	54%	0.544	S	S	*	.	H	α-helix	trans	-61.5	-40.4	175.1	-76.1	-180	-12.6	0	0	111.5	S1021 I1022 R1027 L1028	S1021-Q1025 WeakPolarHBondContact O-CG 3.16Å; S1021-Q1025 PolarHBondContact O-N 2.79Å; I1022-Q1025 PolarHBondContact O-N 2.84Å; Q1025-R1027 PolarHBondContact O-N 3.13Å; Q1025-L1028 PolarHBondContact O-N 3.18Å; Q1025-L1028 VanDerWaalsContact O-N 3.16Å
1026	L	37.4	Very low	46.8	Very low	124 Å²	124	111.5 Å²	111.5	65%	0.649	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-3.3	172.9	-71.4	168.4	0	0	0	114.8	I1022 N1024	I1022-L1026 HydrophobicContact CG2-CD1 4.28Å; I1022-L1026 PolarHBondContact O-N 3.46Å; I1022-L1026 VanDerWaalsContact O-N 3.16Å; N1024-L1026 VanDerWaalsContact C-N 3.31Å; N1024-L1026 PolarHBondContact O-N 3.49Å
1027	R	35	Very low	44.1	Very low	152 Å²	152	117.7 Å²	117.7	57%	0.574	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-3.8	176	-67.8	177.8	174.6	-146.7	-6.3	114	H1023 N1024 Q1025	H1023-R1027 PolarHBondContact NE2-NH2 3.27Å; H1023-R1027 WeakPolarHBondContact O-CG 3.25Å; N1024-R1027 WeakPolarHBondContact O-CB 3.25Å; N1024-R1027 PolarHBondContact O-N 3.3Å; Q1025-R1027 PolarHBondContact O-N 3.13Å
1028	L	32.5	Very low	41.5	Very low	124 Å²	124	116 Å²	116	65%	0.649	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-4.6	-173.2	-71.9	169.7	0	0	0	113.8	N1024 Q1025	N1024-L1028 WeakPolarHBondContact O-CG 3.38Å; N1024-L1028 PolarHBondContact O-N 3.05Å; Q1025-L1028 PolarHBondContact O-N 3.18Å; Q1025-L1028 VanDerWaalsContact O-N 3.16Å
1029	T	35.3	Very low	39.2	Very low	115 Å²	115	120.3 Å²	120.3	71%	0.706	66%	0.655	S	S	*	*	S	Bend	trans	-88.2	-8.6	179	48.4	0	0	0	0	115.1
1030	D	33.5	Very low	37.6	Very low	134 Å²	134	127 Å²	127	72%	0.717	68%	0.678	S	S	*	*	S	Bend	trans	-86.4	-1.2	-179.4	-79.3	-23.6	0	0	0	114.2	D1032	D1030-D1032 PolarHBondContact O-N 3.27Å
1031	N	28.2	Very low	36.5	Very low	133 Å²	133	127.6 Å²	127.6	71%	0.711	69%	0.686	S	S	*	*			trans	-92.4	52.5	-173.2	-80.4	-44.8	0	0	0	114.1
1032	D	29.1	Very low	36.2	Very low	155 Å²	155	132.2 Å²	132.2	83%	0.829	71%	0.706	S	S	*	*			trans	-148.4	56.9	170.8	-133	-20.2	0	0	0	115.3	D1030	D1030-D1032 PolarHBondContact O-N 3.27Å
1033	S	34.2	Very low	36.7	Very low	121 Å²	121	129.9 Å²	129.9	85%	0.846	69%	0.693	S	S	*	*			trans	-165.3	140.1	143.2	32	0	0	0	0	115.6
1034	K	31.5	Very low	38.1	Very low	200 Å²	200	129 Å²	129	87%	0.87	69%	0.685	S	S	*	*			trans	-45.3	146.9	-175.7	-63.1	159.4	179.8	169.4	0	117.3
1035	L	27.1	Very low	40.1	Very low	154 Å²	154	125.7 Å²	125.7	81%	0.806	67%	0.667	S	S	*	*			trans	22.3	114.2	146.7	-88.7	69.3	0	0	0	117.8
1036	N	27.9	Very low	42.5	Very low	153 Å²	153	119.9 Å²	119.9	82%	0.818	64%	0.64	S	S	*	*				-168.6	155.3	101.4	-99.2	-28.6	0	0	0	113.8	S1038	N1036-S1038 PolarHBondContact O-N 2.97Å
1037	T	29.9	Very low	45.2	Very low	140 Å²	140	114 Å²	114	86%	0.859	61%	0.609	S	S	*	*			trans	-74	113.3	178.8	49.2	0	0	0	0	112.4
1038	S	29.5	Very low	47.9	Very low	99 Å²	99	106.7 Å²	106.7	69%	0.692	58%	0.582	S	S	*	*			trans	-157.7	137.3	151	57.9	0	0	0	0	111.1	N1036 K1040	N1036-S1038 PolarHBondContact O-N 2.97Å; S1038-K1040 PolarHBondContact O-N 3.47Å; S1038-K1040 VanDerWaalsContact O-N 3.15Å
1039	S	32.4	Very low	50.9	Low	125 Å²	125	100.8 Å²	100.8	87%	0.874	55%	0.551	S	S	*	*			trans	-81.6	90	-176.4	52.6	0	0	0	0	111.6
1040	K	39.5	Very low	53.6	Low	184 Å²	184	95.3 Å²	95.3	80%	0.8	52%	0.517	S	S	*	.			trans	-86.2	131.5	163.6	-69.7	-173	177.2	-178.1	0	109.6	S1038	S1038-K1040 PolarHBondContact O-N 3.47Å; S1038-K1040 VanDerWaalsContact O-N 3.15Å
1041	P	44.3	Very low	56.5	Low	76 Å²	76	89.6 Å²	89.6	49%	0.494	49%	0.486	S	S	.	.			trans	-67.4	142.8	175.3	28.8	-33.9	0	0	0	110.3	K1043	P1041-K1043 PolarHBondContact O-N 3.4Å
1042	N	52.7	Low	59.5	Low	155 Å²	155	83.9 Å²	83.9	83%	0.829	45%	0.454	S	S	*	.			trans	-65.3	102.7	172.5	-94.9	-14.2	0	0	0	109.3	Y1044	N1042-Y1044 PolarHBondContact O-N 3.3Å
1043	K	64.5	Low	62.2	Low	45 Å²	45	83.4 Å²	83.4	20%	0.196	44%	0.441	C	S	.	.			trans	-66.1	120.3	175.2	-70.9	-175.9	165.3	-150.8	0	109	P1041 R1095 S1096 S1097 Y1098 S1132 C1134	P1041-K1043 PolarHBondContact O-N 3.4Å; K1043-R1095 WeakPolarHBondContact CE-O 3.42Å; K1043-S1096 CarbonylContact C-O 3.57Å; K1043-S1096 VanDerWaalsContact CA-O 3.23Å; K1043-S1096 WeakPolarHBondContact CA-O 3.47Å; K1043-S1096 WeakPolarHBondContact CB-O 3.46Å; K1043-S1097 WeakPolarHBondContact CD-O 3.26Å; K1043-S1097 WeakPolarHBondContact CE-O 3.22Å; K1043-S1097 PolarHBondContact NZ-O 2.81Å; K1043-Y1098 HydrophobicContact CB-CD1 4.26Å; K1043-Y1098 HydrophobicContact CB-CD2 3.92Å; K1043-Y1098 HydrophobicContact CB-CE1 3.95Å; K1043-Y1098 HydrophobicContact CB-CE2 3.58Å; K1043-Y1098 HydrophobicContact CB-CG 4.25Å; K1043-Y1098 HydrophobicContact CD-CD1 4.15Å; K1043-Y1098 HydrophobicContact CD-CE1 4.32Å; K1043-Y1098 HydrophobicContact CD-CG 4.48Å; K1043-Y1098 VanDerWaalsContact O-CE2 3.23Å; K1043-Y1098 WeakPolarHBondContact O-CE2 3.39Å; K1043-Y1098 PolarHBondContact O-OH 3.14Å; K1043-S1132 PolarHBondContact NZ-O 3.34Å; K1043-C1134 PolarHBondContact NZ-SG 3.36Å
1044	Y	76.7	Confident	64.6	Low	113 Å²	113	81.7 Å²	81.7	44%	0.443	43%	0.429	S	S	.	.			trans	-124.6	-0.6	-173.4	70.1	-94.5	0	0	0	113.4	N1042 R1073 S1096	N1042-Y1044 PolarHBondContact O-N 3.3Å; Y1044-R1073 PolarHBondContact O-NH1 3.43Å; Y1044-R1073 VanDerWaalsContact O-NH1 3.1Å; Y1044-R1073 PolarHBondContact O-NH2 3.28Å; Y1044-S1096 VanDerWaalsContact CE1-CB 3.41Å; Y1044-S1096 WeakPolarHBondContact CE1-OG 3.42Å; Y1044-S1096 PolarHBondContact N-O 3Å
1045	I	82.6	Confident	67.4	Low	11 Å²	11	75 Å²	75	6%	0.056	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131	173	-63.5	170.8	0	0	0	107.2	I1047 F1075 S1096 S1097 Y1098	I1045-I1047 VanDerWaalsContact CG2-O 3.28Å; I1045-I1047 WeakPolarHBondContact CG2-O 3.25Å; I1045-F1075 HydrophobicContact CD1-CB 4.14Å; I1045-F1075 HydrophobicContact CD1-CD2 4.29Å; I1045-F1075 HydrophobicContact CD1-CG 4.33Å; I1045-F1075 HydrophobicContact CG2-CB 3.85Å; I1045-S1096 PolarHBondContact N-O 3.28Å; I1045-S1096 VanDerWaalsContact N-O 3.13Å; I1045-S1097 CarbonylContact O-C 3.58Å; I1045-S1097 VanDerWaalsContact O-CA 3.25Å; I1045-S1097 WeakPolarHBondContact O-CA 3.4Å; I1045-Y1098 WeakPolarHBondContact O-CD2 3.44Å; I1045-Y1098 PolarHBondContact O-N 2.95Å
1046	D	89	Confident	70.4	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-38.6	-176.3	-55.3	-44.4	0	0	0	110.7	Y1072 R1073 N1099	D1046-Y1072 HydrophobicContact CB-CD1 4.15Å; D1046-R1073 PolarHBondContact N-O 2.89Å; D1046-R1073 IonicContact OD1-CZ 3.91Å; D1046-R1073 IonicContact OD1-NE 3.33Å; D1046-R1073 IonicContact OD1-NH2 2.85Å; D1046-R1073 PolarHBondContact OD1-NH2 3.11Å; D1046-R1073 WeakPolarHBondContact OD2-CB 3.4Å; D1046-R1073 WeakPolarHBondContact OD2-CG 3.29Å; D1046-R1073 IonicContact OD2-CZ 2.88Å; D1046-R1073 PolarHBondContact OD2-N 2.95Å; D1046-R1073 IonicContact OD2-NE 3.54Å; D1046-R1073 PolarHBondContact OD2-NE 2.83Å; D1046-R1073 IonicContact OD2-NH2 3.21Å; D1046-N1099 WeakPolarHBondContact O-CB 3.36Å; D1046-N1099 PolarHBondContact O-N 3.1Å; D1046-N1099 VanDerWaalsContact O-N 3.11Å; D1046-N1099 PolarHBondContact O-ND2 2.94Å
1047	I	93	Very high	73.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	128.1	179.3	-50	177.3	0	0	0	109.8	I1045 I1049 F1067 Y1072 R1073 V1074 F1075 V1101 M1182	I1045-I1047 VanDerWaalsContact CG2-O 3.28Å; I1045-I1047 WeakPolarHBondContact CG2-O 3.25Å; I1047-I1049 HydrophobicContact CG2-CG1 4.04Å; I1047-F1067 HydrophobicContact CD1-CB 3.8Å; I1047-F1067 HydrophobicContact CD1-CD1 3.57Å; I1047-F1067 HydrophobicContact CD1-CD2 3.6Å; I1047-F1067 HydrophobicContact CD1-CE1 4Å; I1047-F1067 HydrophobicContact CD1-CE2 4.04Å; I1047-F1067 HydrophobicContact CD1-CG 3.38Å; I1047-F1067 HydrophobicContact CD1-CZ 4.23Å; I1047-Y1072 HydrophobicContact CD1-CD2 4.49Å; I1047-Y1072 HydrophobicContact CD1-CG 4.23Å; I1047-R1073 PolarHBondContact N-O 2.99Å; I1047-V1074 HydrophobicContact CB-CG1 4.39Å; I1047-V1074 HydrophobicContact CD1-CG2 4.47Å; I1047-V1074 CarbonylContact O-C 3.57Å; I1047-V1074 WeakPolarHBondContact O-CA 3.33Å; I1047-F1075 PolarHBondContact O-N 3.39Å; I1047-V1101 HydrophobicContact CG2-CB 4.21Å; I1047-V1101 HydrophobicContact CG2-CG2 3.68Å; I1047-M1182 HydrophobicContact CD1-CE 3.61Å; I1047-M1182 HydrophobicContact CD1-SD 3.74Å; I1047-M1182 HydrophobicContact CG1-CE 3.64Å; I1047-M1182 HydrophobicContact CG1-SD 4.22Å
1048	F	93	Very high	76.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.5	161	-175	-79.2	0	0	0	108.8	F1075 L1090 I1094 N1099 F1100 V1101	F1048-F1075 HydrophobicContact CD2-CB 4.22Å; F1048-F1075 AromaticContact CD2-CD1 3.62Å; F1048-F1075 HydrophobicContact CD2-CD1 3.62Å; F1048-F1075 HydrophobicContact CD2-CE1 4.46Å; F1048-F1075 HydrophobicContact CD2-CG 4.27Å; F1048-F1075 AromaticContact CE2-CD1 3.43Å; F1048-F1075 HydrophobicContact CE2-CD1 3.43Å; F1048-F1075 VanDerWaalsContact CE2-CD1 3.43Å; F1048-F1075 AromaticContact CE2-CE1 3.86Å; F1048-F1075 HydrophobicContact CE2-CE1 3.86Å; F1048-F1075 HydrophobicContact CE2-CG 4.46Å; F1048-F1075 HydrophobicContact CZ-CD1 4.39Å; F1048-L1090 HydrophobicContact CE2-CD1 4.17Å; F1048-L1090 HydrophobicContact CZ-CD1 3.9Å; F1048-L1090 HydrophobicContact CZ-CG 4.21Å; F1048-I1094 HydrophobicContact CD1-CD1 4.43Å; F1048-I1094 HydrophobicContact CD1-CG1 3.86Å; F1048-I1094 HydrophobicContact CD2-CG1 3.68Å; F1048-I1094 HydrophobicContact CE1-CD1 3.88Å; F1048-I1094 HydrophobicContact CE1-CG1 3.7Å; F1048-I1094 HydrophobicContact CE2-CD1 4.23Å; F1048-I1094 HydrophobicContact CE2-CG1 3.51Å; F1048-I1094 HydrophobicContact CG-CG1 3.86Å; F1048-I1094 HydrophobicContact CZ-CD1 3.77Å; F1048-I1094 HydrophobicContact CZ-CG1 3.52Å; F1048-N1099 PolarHBondContact N-O 2.95Å; F1048-F1100 HydrophobicContact CB-CD2 4.21Å; F1048-F1100 AromaticContact CD1-CD2 3.62Å; F1048-F1100 HydrophobicContact CD1-CD2 3.62Å; F1048-F1100 AromaticContact CD1-CE2 3.5Å; F1048-F1100 HydrophobicContact CD1-CE2 3.5Å; F1048-F1100 HydrophobicContact CE1-CD2 4.39Å; F1048-F1100 AromaticContact CE1-CE2 3.82Å; F1048-F1100 HydrophobicContact CE1-CE2 3.82Å; F1048-F1100 HydrophobicContact CG-CD2 4.21Å; F1048-F1100 HydrophobicContact CG-CE2 4.44Å; F1048-F1100 CarbonylContact O-C 3.52Å; F1048-F1100 WeakPolarHBondContact O-CA 3.38Å; F1048-V1101 PolarHBondContact O-N 3.38Å
1049	I	94.6	Very high	79.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.1	176.5	-57.1	-178	0	0	0	110.4	I1047 A1060 L1063 K1064 F1067 V1074 F1075 L1076 V1101 V1103	I1047-I1049 HydrophobicContact CG2-CG1 4.04Å; I1049-A1060 HydrophobicContact CG2-CB 3.88Å; I1049-L1063 HydrophobicContact CD1-CB 3.95Å; I1049-K1064 HydrophobicContact CD1-CB 4.27Å; I1049-F1067 HydrophobicContact CD1-CD2 4.24Å; I1049-F1067 HydrophobicContact CD1-CE2 4.41Å; I1049-V1074 HydrophobicContact CD1-CG1 3.49Å; I1049-V1074 VanDerWaalsContact CD1-CG1 3.49Å; I1049-V1074 HydrophobicContact CG1-CG1 3.73Å; I1049-F1075 PolarHBondContact N-O 3.04Å; I1049-L1076 HydrophobicContact CB-CD1 3.85Å; I1049-L1076 HydrophobicContact CG2-CD1 3.93Å; I1049-V1101 WeakPolarHBondContact CA-O 3.34Å; I1049-V1101 HydrophobicContact CG1-CB 4.31Å; I1049-V1103 HydrophobicContact CG2-CG2 3.71Å
1050	S	92.9	Very high	82.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.4	170.9	178.9	0	0	0	0	110.5	V1101 V1103 E1125	S1050-V1101 PolarHBondContact N-O 3.43Å; S1050-V1103 PolarHBondContact O-N 3.13Å; S1050-E1125 WeakPolarHBondContact CB-OE2 3.39Å; S1050-E1125 PolarHBondContact OG-OE2 3.47Å
1051	Y	94	Very high	84.7	Confident	13 Å²	13	47 Å²	47	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	150.6	-175	70.2	-74.1	0	0	0	112.7	R1053 A1060 L1076 D1077 I1078	Y1051-R1053 HydrophobicContact CE2-CB 4.3Å; Y1051-R1053 HydrophobicContact CE2-CG 3.98Å; Y1051-R1053 PolarHBondContact O-N 2.93Å; Y1051-R1053 VanDerWaalsContact O-N 3.15Å; Y1051-A1060 HydrophobicContact CD1-CB 3.81Å; Y1051-A1060 HydrophobicContact CD2-CB 3.87Å; Y1051-A1060 HydrophobicContact CE1-CB 4.44Å; Y1051-A1060 HydrophobicContact CE2-CB 4.47Å; Y1051-A1060 HydrophobicContact CG-CB 3.51Å; Y1051-L1076 HydrophobicContact CD1-CD1 3.68Å; Y1051-L1076 HydrophobicContact CE1-CD1 3.43Å; Y1051-L1076 VanDerWaalsContact CE1-CD1 3.43Å; Y1051-L1076 HydrophobicContact CE1-CG 4.09Å; Y1051-D1077 HydrophobicContact CE1-CB 4.21Å; Y1051-I1078 WeakPolarHBondContact OH-CD1 3.43Å; Y1051-I1078 WeakPolarHBondContact OH-CG1 3.48Å
1052	R	91.7	Very high	87	Confident	14 Å²	14	46 Å²	46	5%	0.053	23%	0.234	C	C	.	.			trans	-74.4	104.6	172	-176.7	63.6	67.4	-164.7	-0	109.7	S1054 T1055 G1056 A1108 D1120 I1122	R1052-S1054 PolarHBondContact O-N 2.81Å; R1052-T1055 WeakPolarHBondContact CB-OG1 3.28Å; R1052-T1055 WeakPolarHBondContact CG-OG1 3.23Å; R1052-T1055 PolarHBondContact O-N 2.72Å; R1052-G1056 PolarHBondContact O-N 2.8Å; R1052-A1108 HydrophobicContact CB-CB 4.17Å; R1052-A1108 VanDerWaalsContact CZ-O 3.25Å; R1052-A1108 PolarHBondContact NE-O 3.2Å; R1052-A1108 PolarHBondContact NH2-O 3.42Å; R1052-D1120 IonicContact CZ-OD1 3.61Å; R1052-D1120 VanDerWaalsContact CZ-OD1 3.25Å; R1052-D1120 IonicContact CZ-OD2 2.97Å; R1052-D1120 IonicContact NH1-OD1 3.96Å; R1052-D1120 PolarHBondContact NH1-OD1 3.45Å; R1052-D1120 IonicContact NH1-OD2 3.56Å; R1052-D1120 PolarHBondContact NH1-OD2 2.72Å; R1052-D1120 IonicContact NH2-OD1 3.65Å; R1052-D1120 PolarHBondContact NH2-OD1 3.19Å; R1052-D1120 IonicContact NH2-OD2 2.68Å; R1052-I1122 HydrophobicContact CB-CD1 3.73Å; R1052-I1122 VanDerWaalsContact CZ-CD1 3.45Å
1053	R	84.6	Confident	89.1	Confident	144 Å²	144	38.6 Å²	38.6	54%	0.543	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-31.7	-176	-66.7	-172.3	-176.9	176.4	2.4	115.6	Y1051 D1077	Y1051-R1053 HydrophobicContact CE2-CB 4.3Å; Y1051-R1053 HydrophobicContact CE2-CG 3.98Å; Y1051-R1053 PolarHBondContact O-N 2.93Å; Y1051-R1053 VanDerWaalsContact O-N 3.15Å; R1053-D1077 IonicContact CZ-OD1 3.42Å; R1053-D1077 IonicContact CZ-OD2 3.93Å; R1053-D1077 IonicContact NE-OD2 2.76Å; R1053-D1077 PolarHBondContact NE-OD2 2.8Å; R1053-D1077 IonicContact NH2-OD1 3.49Å; R1053-D1077 PolarHBondContact NH2-OD1 2.98Å; R1053-D1077 IonicContact NH2-OD2 3.85Å; R1053-D1077 PolarHBondContact NH2-OD2 3.03Å
1054	S	86	Confident	90.4	Very high	85 Å²	85	37.9 Å²	37.9	59%	0.594	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-11.7	-179	54.9	0	0	0	0	115.8	R1052	R1052-S1054 PolarHBondContact O-N 2.81Å
1055	T	89.5	Confident	91.1	Very high	60 Å²	60	36.4 Å²	36.4	37%	0.368	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.2	-35.4	-174	54.7	0	0	0	0	113.6	R1052 T1105	R1052-T1055 WeakPolarHBondContact CB-OG1 3.28Å; R1052-T1055 WeakPolarHBondContact CG-OG1 3.23Å; R1052-T1055 PolarHBondContact O-N 2.72Å; T1055-T1105 WeakPolarHBondContact CB-OG1 3.48Å; T1055-T1105 PolarHBondContact OG1-OG1 2.84Å
1056	G	89.2	Confident	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-97.9	2.7	-175.7	0	0	0	0	0	115.8	R1052 Q1058 L1059 A1060 T1105	R1052-G1056 PolarHBondContact O-N 2.8Å; G1056-Q1058 PolarHBondContact O-N 3.47Å; G1056-L1059 PolarHBondContact O-N 3.03Å; G1056-A1060 VanDerWaalsContact O-CB 3.23Å; G1056-A1060 WeakPolarHBondContact O-CB 3.49Å; G1056-A1060 PolarHBondContact O-N 2.93Å; G1056-T1105 WeakPolarHBondContact CA-OG1 3.5Å; G1056-T1105 PolarHBondContact N-OG1 2.7Å
1057	S	89.2	Confident	91.8	Very high	44 Å²	44	36.3 Å²	36.3	31%	0.308	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-39.4	-173.5	50.7	0	0	0	0	113.7	S1061	S1057-S1061 WeakPolarHBondContact O-CB 3.49Å; S1057-S1061 PolarHBondContact O-N 3.27Å; S1057-S1061 VanDerWaalsContact O-N 3.11Å; S1057-S1061 PolarHBondContact O-OG 2.91Å
1058	Q	91.3	Very high	91.5	Very high	166 Å²	166	40 Å²	40	78%	0.776	21%	0.21	S	C	*	.	H	α-helix	trans	-64.4	-53.6	176.2	-67.1	179.3	-8.3	0	0	111.1	G1056 A1060 S1061 L1062	G1056-Q1058 PolarHBondContact O-N 3.47Å; Q1058-A1060 PolarHBondContact O-N 2.89Å; Q1058-S1061 PolarHBondContact O-N 2.91Å; Q1058-L1062 PolarHBondContact O-N 3.14Å
1059	L	94.4	Very high	91.1	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-41.7	-179.9	-179.9	54.4	0	0	0	112.3	G1056 S1061 L1062 L1063 V1103 T1105 D1141 W1166	G1056-L1059 PolarHBondContact O-N 3.03Å; L1059-S1061 VanDerWaalsContact C-N 3.29Å; L1059-S1061 PolarHBondContact O-N 2.92Å; L1059-L1062 PolarHBondContact O-N 3.05Å; L1059-L1063 HydrophobicContact CD1-CD1 4.2Å; L1059-L1063 HydrophobicContact CD1-CG 4.07Å; L1059-L1063 HydrophobicContact CG-CD1 4.03Å; L1059-L1063 HydrophobicContact CG-CG 4.4Å; L1059-L1063 WeakPolarHBondContact O-CB 3.45Å; L1059-L1063 VanDerWaalsContact O-CG 3.22Å; L1059-L1063 WeakPolarHBondContact O-CG 3.49Å; L1059-L1063 PolarHBondContact O-N 2.69Å; L1059-V1103 HydrophobicContact CB-CG1 4.14Å; L1059-V1103 HydrophobicContact CD2-CG1 3.78Å; L1059-V1103 HydrophobicContact CG-CG1 3.91Å; L1059-T1105 HydrophobicContact CD2-CG2 4.43Å; L1059-D1141 HydrophobicContact CD2-CB 3.64Å; L1059-W1166 HydrophobicContact CD1-CD2 3.69Å; L1059-W1166 HydrophobicContact CD1-CE3 4.26Å; L1059-W1166 HydrophobicContact CD1-CG 3.95Å; L1059-W1166 HydrophobicContact CD1-CH2 4.5Å; L1059-W1166 HydrophobicContact CD1-CZ2 3.96Å; L1059-W1166 HydrophobicContact CD2-CB 4.49Å; L1059-W1166 HydrophobicContact CD2-CG 4.26Å
1060	A	93.3	Very high	90.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-35.8	175.9	0	0	0	0	0	112.7	I1049 Y1051 G1056 Q1058 K1064 L1076 V1103	I1049-A1060 HydrophobicContact CG2-CB 3.88Å; Y1051-A1060 HydrophobicContact CD1-CB 3.81Å; Y1051-A1060 HydrophobicContact CD2-CB 3.87Å; Y1051-A1060 HydrophobicContact CE1-CB 4.44Å; Y1051-A1060 HydrophobicContact CE2-CB 4.47Å; Y1051-A1060 HydrophobicContact CG-CB 3.51Å; G1056-A1060 VanDerWaalsContact O-CB 3.23Å; G1056-A1060 WeakPolarHBondContact O-CB 3.49Å; G1056-A1060 PolarHBondContact O-N 2.93Å; Q1058-A1060 PolarHBondContact O-N 2.89Å; A1060-K1064 WeakPolarHBondContact O-CB 2.94Å; A1060-K1064 PolarHBondContact O-N 3.34Å; A1060-L1076 HydrophobicContact CB-CD1 3.94Å; A1060-V1103 HydrophobicContact CB-CG2 4.22Å
1061	S	91.9	Very high	90.1	Very high	49 Å²	49	48.6 Å²	48.6	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-70.4	-42.1	174.5	-56.3	0	0	0	0	111.8	S1057 Q1058 L1059 K1064 V1065	S1057-S1061 WeakPolarHBondContact O-CB 3.49Å; S1057-S1061 PolarHBondContact O-N 3.27Å; S1057-S1061 VanDerWaalsContact O-N 3.11Å; S1057-S1061 PolarHBondContact O-OG 2.91Å; Q1058-S1061 PolarHBondContact O-N 2.91Å; L1059-S1061 VanDerWaalsContact C-N 3.29Å; L1059-S1061 PolarHBondContact O-N 2.92Å; S1061-K1064 WeakPolarHBondContact O-CB 3.29Å; S1061-K1064 PolarHBondContact O-N 2.94Å; S1061-V1065 WeakPolarHBondContact O-CG2 3.47Å; S1061-V1065 PolarHBondContact O-N 3.44Å; S1061-V1065 VanDerWaalsContact O-N 3.11Å
1062	L	94.1	Very high	89.8	Confident	54 Å²	54	48.8 Å²	48.8	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-44.2	176.6	-178.3	56.4	0	0	0	111.8	Q1058 L1059 V1065 H1066 W1166	Q1058-L1062 PolarHBondContact O-N 3.14Å; L1059-L1062 PolarHBondContact O-N 3.05Å; L1062-V1065 PolarHBondContact O-N 3.32Å; L1062-H1066 PolarHBondContact O-CD2 3.12Å; L1062-H1066 PolarHBondContact O-N 3.41Å; L1062-W1166 HydrophobicContact CD2-CH2 4.49Å; L1062-W1166 HydrophobicContact CD2-CZ2 3.76Å; L1062-W1166 HydrophobicContact CG-CZ2 4.39Å
1063	L	94.8	Very high	89.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-44.6	172.4	-70.4	167.5	0	0	0	111.6	I1049 L1059 V1065 H1066 F1067 V1101 V1103 I1139 W1166 I1175	I1049-L1063 HydrophobicContact CD1-CB 3.95Å; L1059-L1063 HydrophobicContact CD1-CD1 4.2Å; L1059-L1063 HydrophobicContact CD1-CG 4.07Å; L1059-L1063 HydrophobicContact CG-CD1 4.03Å; L1059-L1063 HydrophobicContact CG-CG 4.4Å; L1059-L1063 WeakPolarHBondContact O-CB 3.45Å; L1059-L1063 VanDerWaalsContact O-CG 3.22Å; L1059-L1063 WeakPolarHBondContact O-CG 3.49Å; L1059-L1063 PolarHBondContact O-N 2.69Å; L1063-V1065 VanDerWaalsContact C-N 3.29Å; L1063-V1065 PolarHBondContact O-N 3.34Å; L1063-H1066 PolarHBondContact O-N 3.15Å; L1063-F1067 HydrophobicContact CB-CD2 4.33Å; L1063-F1067 HydrophobicContact CB-CE2 4.03Å; L1063-F1067 HydrophobicContact CD2-CE2 4.23Å; L1063-F1067 HydrophobicContact CD2-CZ 4.42Å; L1063-F1067 WeakPolarHBondContact O-CD2 3.43Å; L1063-F1067 WeakPolarHBondContact O-CG 3.41Å; L1063-F1067 PolarHBondContact O-N 3.06Å; L1063-V1101 HydrophobicContact CD1-CG1 4.36Å; L1063-V1103 HydrophobicContact CD1-CG2 3.66Å; L1063-I1139 HydrophobicContact CD1-CD1 3.81Å; L1063-I1139 HydrophobicContact CD2-CD1 3.75Å; L1063-I1139 HydrophobicContact CG-CD1 4.46Å; L1063-W1166 HydrophobicContact CD2-CE3 4.36Å; L1063-W1166 HydrophobicContact CD2-CH2 4.5Å; L1063-W1166 HydrophobicContact CD2-CZ3 3.94Å; L1063-I1175 HydrophobicContact CD2-CD1 3.63Å
1064	K	93.3	Very high	89.6	Confident	30 Å²	30	47.2 Å²	47.2	13%	0.13	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-41.9	176.8	-174.2	-166.3	-176.4	-175.8	0	112	I1049 A1060 S1061 H1068 V1074 L1076 D1079	I1049-K1064 HydrophobicContact CD1-CB 4.27Å; A1060-K1064 WeakPolarHBondContact O-CB 2.94Å; A1060-K1064 PolarHBondContact O-N 3.34Å; S1061-K1064 WeakPolarHBondContact O-CB 3.29Å; S1061-K1064 PolarHBondContact O-N 2.94Å; K1064-H1068 WeakPolarHBondContact O-CB 3.31Å; K1064-H1068 PolarHBondContact O-N 3.39Å; K1064-H1068 VanDerWaalsContact O-N 3.07Å; K1064-H1068 PolarHBondContact O-ND1 3.44Å; K1064-V1074 HydrophobicContact CB-CG1 4.33Å; K1064-V1074 HydrophobicContact CG-CB 4.12Å; K1064-V1074 HydrophobicContact CG-CG1 4Å; K1064-L1076 HydrophobicContact CD-CB 4.01Å; K1064-L1076 HydrophobicContact CD-CD2 3.89Å; K1064-D1079 VanDerWaalsContact CE-OD2 3.28Å; K1064-D1079 WeakPolarHBondContact CE-OD2 3.49Å; K1064-D1079 IonicContact NZ-OD1 2.85Å; K1064-D1079 PolarHBondContact NZ-OD1 3.17Å; K1064-D1079 IonicContact NZ-OD2 2.73Å; K1064-D1079 PolarHBondContact NZ-OD2 3.13Å
1065	V	91.4	Very high	89.7	Confident	81 Å²	81	45 Å²	45	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-66.4	-52.2	176.7	172.5	0	0	0	0	110.8	S1061 L1062 L1063 F1067 H1068 L1069	S1061-V1065 WeakPolarHBondContact O-CG2 3.47Å; S1061-V1065 PolarHBondContact O-N 3.44Å; S1061-V1065 VanDerWaalsContact O-N 3.11Å; L1062-V1065 PolarHBondContact O-N 3.32Å; L1063-V1065 VanDerWaalsContact C-N 3.29Å; L1063-V1065 PolarHBondContact O-N 3.34Å; V1065-F1067 VanDerWaalsContact C-N 3.3Å; V1065-F1067 PolarHBondContact O-N 3.11Å; V1065-H1068 PolarHBondContact O-N 3.5Å; V1065-H1068 VanDerWaalsContact O-N 3.09Å; V1065-L1069 HydrophobicContact CG1-CD1 3.92Å; V1065-L1069 HydrophobicContact CG1-CG 4.34Å; V1065-L1069 WeakPolarHBondContact O-CG 3.1Å; V1065-L1069 PolarHBondContact O-N 2.97Å
1066	H	93.6	Very high	89.4	Confident	14 Å²	14	42.3 Å²	42.3	7%	0.065	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-41	179.6	-87	-59.8	0	0	0	113.7	L1062 L1063 R1070 Q1171 E1172 I1175	L1062-H1066 PolarHBondContact O-CD2 3.12Å; L1062-H1066 PolarHBondContact O-N 3.41Å; L1063-H1066 PolarHBondContact O-N 3.15Å; H1066-R1070 PolarHBondContact O-N 3.02Å; H1066-Q1171 PolarHBondContact NE2-OE1 3.14Å; H1066-E1172 IonicContact CE1-OE1 3.24Å; H1066-E1172 PolarHBondContact CE1-OE1 2.83Å; H1066-E1172 IonicContact ND1-OE1 2.74Å; H1066-I1175 HydrophobicContact CB-CD1 3.58Å; H1066-I1175 HydrophobicContact CB-CG1 3.78Å
1067	F	93	Very high	88.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-74.7	-33.6	176.2	-66.4	-48.9	0	0	0	113.2	I1047 I1049 L1063 V1065 R1070 G1071 Y1072 V1074 V1101 I1175 V1178 M1182	I1047-F1067 HydrophobicContact CD1-CB 3.8Å; I1047-F1067 HydrophobicContact CD1-CD1 3.57Å; I1047-F1067 HydrophobicContact CD1-CD2 3.6Å; I1047-F1067 HydrophobicContact CD1-CE1 4Å; I1047-F1067 HydrophobicContact CD1-CE2 4.04Å; I1047-F1067 HydrophobicContact CD1-CG 3.38Å; I1047-F1067 HydrophobicContact CD1-CZ 4.23Å; I1049-F1067 HydrophobicContact CD1-CD2 4.24Å; I1049-F1067 HydrophobicContact CD1-CE2 4.41Å; L1063-F1067 HydrophobicContact CB-CD2 4.33Å; L1063-F1067 HydrophobicContact CB-CE2 4.03Å; L1063-F1067 HydrophobicContact CD2-CE2 4.23Å; L1063-F1067 HydrophobicContact CD2-CZ 4.42Å; L1063-F1067 WeakPolarHBondContact O-CD2 3.43Å; L1063-F1067 WeakPolarHBondContact O-CG 3.41Å; L1063-F1067 PolarHBondContact O-N 3.06Å; V1065-F1067 VanDerWaalsContact C-N 3.3Å; V1065-F1067 PolarHBondContact O-N 3.11Å; F1067-R1070 CarbonylContact O-C 3.54Å; F1067-R1070 PolarHBondContact O-N 3.35Å; F1067-G1071 PolarHBondContact O-N 3.39Å; F1067-Y1072 HydrophobicContact CD1-CD2 4.47Å; F1067-Y1072 PolarHBondContact O-N 3.47Å; F1067-V1074 HydrophobicContact CB-CG2 3.42Å; F1067-V1074 VanDerWaalsContact CB-CG2 3.42Å; F1067-V1074 HydrophobicContact CD2-CG2 4.43Å; F1067-V1074 HydrophobicContact CG-CG2 4.37Å; F1067-V1101 HydrophobicContact CE2-CG2 4.42Å; F1067-I1175 HydrophobicContact CD1-CG2 4.12Å; F1067-I1175 HydrophobicContact CE1-CD1 4.37Å; F1067-I1175 HydrophobicContact CE1-CG2 3.87Å; F1067-I1175 HydrophobicContact CZ-CD1 4.36Å; F1067-V1178 HydrophobicContact CE1-CB 4.47Å; F1067-V1178 HydrophobicContact CE1-CG1 4.05Å; F1067-V1178 HydrophobicContact CZ-CB 4.32Å; F1067-V1178 HydrophobicContact CZ-CG1 3.71Å; F1067-M1182 HydrophobicContact CE1-SD 4.29Å
1068	H	87	Confident	86.9	Confident	76 Å²	76	46.3 Å²	46.3	35%	0.352	23%	0.232	S	C	.	.	H	α-helix	trans	-65.1	-40.3	172.1	-92.8	77.5	0	0	0	112	K1064 V1065 R1070 G1071 I1196	K1064-H1068 WeakPolarHBondContact O-CB 3.31Å; K1064-H1068 PolarHBondContact O-N 3.39Å; K1064-H1068 VanDerWaalsContact O-N 3.07Å; K1064-H1068 PolarHBondContact O-ND1 3.44Å; V1065-H1068 PolarHBondContact O-N 3.5Å; V1065-H1068 VanDerWaalsContact O-N 3.09Å; H1068-R1070 PolarHBondContact O-N 2.85Å; H1068-G1071 WeakPolarHBondContact O-CA 3.29Å; H1068-G1071 PolarHBondContact O-N 2.97Å; H1068-I1196 WeakPolarHBondContact O-CD1 3.44Å
1069	L	83.7	Confident	84.9	Confident	103 Å²	103	41.1 Å²	41.1	54%	0.539	21%	0.209	S	C	.	.	H	α-helix	trans	-63.4	-29.8	174.9	-68.8	172	0	0	0	112.2	V1065 G1071	V1065-L1069 HydrophobicContact CG1-CD1 3.92Å; V1065-L1069 HydrophobicContact CG1-CG 4.34Å; V1065-L1069 WeakPolarHBondContact O-CG 3.1Å; V1065-L1069 PolarHBondContact O-N 2.97Å; L1069-G1071 VanDerWaalsContact C-N 3.29Å
1070	R	84	Confident	82.5	Confident	58 Å²	58	52.1 Å²	52.1	22%	0.219	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.8	170.3	-72.3	172.5	166.3	73.8	-3.9	114.1	H1066 F1067 H1068 Y1072 E1172 I1175 D1176 E1179	H1066-R1070 PolarHBondContact O-N 3.02Å; F1067-R1070 CarbonylContact O-C 3.54Å; F1067-R1070 PolarHBondContact O-N 3.35Å; H1068-R1070 PolarHBondContact O-N 2.85Å; R1070-Y1072 HydrophobicContact CB-CD2 3.86Å; R1070-Y1072 HydrophobicContact CB-CE2 3.89Å; R1070-E1172 IonicContact CZ-OE2 2.73Å; R1070-E1172 IonicContact NH1-OE2 3.48Å; R1070-E1172 PolarHBondContact NH1-OE2 2.67Å; R1070-E1172 IonicContact NH2-OE2 2.8Å; R1070-E1172 PolarHBondContact NH2-OE2 3Å; R1070-I1175 VanDerWaalsContact CZ-CG2 3.45Å; R1070-D1176 IonicContact CZ-OD1 3.67Å; R1070-D1176 IonicContact NE-OD1 2.77Å; R1070-D1176 IonicContact NH2-OD1 2.77Å; R1070-D1176 PolarHBondContact NH2-OD1 2.67Å; R1070-E1179 WeakPolarHBondContact CD-OE2 3.4Å; R1070-E1179 IonicContact NE-OE2 3.69Å; R1070-E1179 PolarHBondContact NE-OE2 3.24Å
1071	G	82.9	Confident	80.1	Confident	20 Å²	20	55.5 Å²	55.5	21%	0.206	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	10.9	173.7	0	0	0	0	0	116.3	F1067 H1068 L1069	F1067-G1071 PolarHBondContact O-N 3.39Å; H1068-G1071 WeakPolarHBondContact O-CA 3.29Å; H1068-G1071 PolarHBondContact O-N 2.97Å; L1069-G1071 VanDerWaalsContact C-N 3.29Å
1072	Y	87.7	Confident	77.5	Confident	18 Å²	18	59.6 Å²	59.6	7%	0.071	29%	0.291	C	S	.	.			trans	-84.6	141.2	179	-65.4	-71.9	0	0	0	112.6	D1046 I1047 F1067 R1070 V1074 E1179 M1182 K1184	D1046-Y1072 HydrophobicContact CB-CD1 4.15Å; I1047-Y1072 HydrophobicContact CD1-CD2 4.49Å; I1047-Y1072 HydrophobicContact CD1-CG 4.23Å; F1067-Y1072 HydrophobicContact CD1-CD2 4.47Å; F1067-Y1072 PolarHBondContact O-N 3.47Å; R1070-Y1072 HydrophobicContact CB-CD2 3.86Å; R1070-Y1072 HydrophobicContact CB-CE2 3.89Å; Y1072-V1074 PolarHBondContact O-N 3.42Å; Y1072-E1179 HydrophobicContact CE2-CG 4.33Å; Y1072-E1179 PolarHBondContact OH-OE1 3.27Å; Y1072-M1182 HydrophobicContact CD1-CE 3.79Å; Y1072-M1182 HydrophobicContact CD2-CE 4.37Å; Y1072-M1182 HydrophobicContact CE1-CE 3.66Å; Y1072-M1182 HydrophobicContact CE2-CE 4.26Å; Y1072-M1182 HydrophobicContact CG-CE 4.16Å; Y1072-K1184 WeakPolarHBondContact OH-CE 3.23Å; Y1072-K1184 PolarHBondContact OH-NZ 3.04Å
1073	R	83.5	Confident	74.8	Confident	113 Å²	113	62.1 Å²	62.1	43%	0.426	32%	0.319	S	S	.	.			trans	-80.8	98.1	173.3	-58.5	166.9	-65.8	172.2	3.8	109.7	Y1044 D1046 I1047	Y1044-R1073 PolarHBondContact O-NH1 3.43Å; Y1044-R1073 VanDerWaalsContact O-NH1 3.1Å; Y1044-R1073 PolarHBondContact O-NH2 3.28Å; D1046-R1073 PolarHBondContact N-O 2.89Å; D1046-R1073 IonicContact OD1-CZ 3.91Å; D1046-R1073 IonicContact OD1-NE 3.33Å; D1046-R1073 IonicContact OD1-NH2 2.85Å; D1046-R1073 PolarHBondContact OD1-NH2 3.11Å; D1046-R1073 WeakPolarHBondContact OD2-CB 3.4Å; D1046-R1073 WeakPolarHBondContact OD2-CG 3.29Å; D1046-R1073 IonicContact OD2-CZ 2.88Å; D1046-R1073 PolarHBondContact OD2-N 2.95Å; D1046-R1073 IonicContact OD2-NE 3.54Å; D1046-R1073 PolarHBondContact OD2-NE 2.83Å; D1046-R1073 IonicContact OD2-NH2 3.21Å; I1047-R1073 PolarHBondContact N-O 2.99Å
1074	V	88.8	Confident	72.7	Confident	12 Å²	12	64.9 Å²	64.9	7%	0.073	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.9	-179.9	-167	0	0	0	0	111.2	I1047 I1049 K1064 F1067 Y1072	I1047-V1074 HydrophobicContact CB-CG1 4.39Å; I1047-V1074 HydrophobicContact CD1-CG2 4.47Å; I1047-V1074 CarbonylContact O-C 3.57Å; I1047-V1074 WeakPolarHBondContact O-CA 3.33Å; I1049-V1074 HydrophobicContact CD1-CG1 3.49Å; I1049-V1074 VanDerWaalsContact CD1-CG1 3.49Å; I1049-V1074 HydrophobicContact CG1-CG1 3.73Å; K1064-V1074 HydrophobicContact CB-CG1 4.33Å; K1064-V1074 HydrophobicContact CG-CB 4.12Å; K1064-V1074 HydrophobicContact CG-CG1 4Å; F1067-V1074 HydrophobicContact CB-CG2 3.42Å; F1067-V1074 VanDerWaalsContact CB-CG2 3.42Å; F1067-V1074 HydrophobicContact CD2-CG2 4.43Å; F1067-V1074 HydrophobicContact CG-CG2 4.37Å; Y1072-V1074 PolarHBondContact O-N 3.42Å
1075	F	86.6	Confident	70.6	Confident	39 Å²	39	72.1 Å²	72.1	17%	0.171	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.1	166	-167.5	-86.6	0	0	0	110.8	I1045 I1047 F1048 I1049 L1090	I1045-F1075 HydrophobicContact CD1-CB 4.14Å; I1045-F1075 HydrophobicContact CD1-CD2 4.29Å; I1045-F1075 HydrophobicContact CD1-CG 4.33Å; I1045-F1075 HydrophobicContact CG2-CB 3.85Å; I1047-F1075 PolarHBondContact O-N 3.39Å; F1048-F1075 HydrophobicContact CD2-CB 4.22Å; F1048-F1075 AromaticContact CD2-CD1 3.62Å; F1048-F1075 HydrophobicContact CD2-CD1 3.62Å; F1048-F1075 HydrophobicContact CD2-CE1 4.46Å; F1048-F1075 HydrophobicContact CD2-CG 4.27Å; F1048-F1075 AromaticContact CE2-CD1 3.43Å; F1048-F1075 HydrophobicContact CE2-CD1 3.43Å; F1048-F1075 VanDerWaalsContact CE2-CD1 3.43Å; F1048-F1075 AromaticContact CE2-CE1 3.86Å; F1048-F1075 HydrophobicContact CE2-CE1 3.86Å; F1048-F1075 HydrophobicContact CE2-CG 4.46Å; F1048-F1075 HydrophobicContact CZ-CD1 4.39Å; I1049-F1075 PolarHBondContact N-O 3.04Å; F1075-L1090 HydrophobicContact CE1-CD1 4.3Å
1076	L	83.7	Confident	68.7	Low	3 Å²	3	70.8 Å²	70.8	2%	0.016	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.9	174.7	-174.6	72.1	0	0	0	108.7	I1049 Y1051 A1060 K1064 I1078 D1079	I1049-L1076 HydrophobicContact CB-CD1 3.85Å; I1049-L1076 HydrophobicContact CG2-CD1 3.93Å; Y1051-L1076 HydrophobicContact CD1-CD1 3.68Å; Y1051-L1076 HydrophobicContact CE1-CD1 3.43Å; Y1051-L1076 VanDerWaalsContact CE1-CD1 3.43Å; Y1051-L1076 HydrophobicContact CE1-CG 4.09Å; A1060-L1076 HydrophobicContact CB-CD1 3.94Å; K1064-L1076 HydrophobicContact CD-CB 4.01Å; K1064-L1076 HydrophobicContact CD-CD2 3.89Å; L1076-I1078 HydrophobicContact CD2-CD1 4.09Å; L1076-I1078 HydrophobicContact CD2-CG1 4.3Å; L1076-I1078 HydrophobicContact CG-CG1 4.46Å; L1076-I1078 PolarHBondContact O-N 3.07Å; L1076-D1079 PolarHBondContact O-N 3.45Å
1077	D	65.5	Low	67	Low	22 Å²	22	74.6 Å²	74.6	12%	0.118	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	3.4	-175.3	164	65	0	0	0	116.5	Y1051 R1053 L1090	Y1051-D1077 HydrophobicContact CE1-CB 4.21Å; R1053-D1077 IonicContact CZ-OD1 3.42Å; R1053-D1077 IonicContact CZ-OD2 3.93Å; R1053-D1077 IonicContact NE-OD2 2.76Å; R1053-D1077 PolarHBondContact NE-OD2 2.8Å; R1053-D1077 IonicContact NH2-OD1 3.49Å; R1053-D1077 PolarHBondContact NH2-OD1 2.98Å; R1053-D1077 IonicContact NH2-OD2 3.85Å; R1053-D1077 PolarHBondContact NH2-OD2 3.03Å; D1077-L1090 HydrophobicContact CB-CD1 4.25Å
1078	I	60.9	Low	65.9	Low	106 Å²	106	81.2 Å²	81.2	54%	0.544	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-24.4	170.6	-53.3	-179.7	0	0	0	111.5	Y1051 L1076 R1080	Y1051-I1078 WeakPolarHBondContact OH-CD1 3.43Å; Y1051-I1078 WeakPolarHBondContact OH-CG1 3.48Å; L1076-I1078 HydrophobicContact CD2-CD1 4.09Å; L1076-I1078 HydrophobicContact CD2-CG1 4.3Å; L1076-I1078 HydrophobicContact CG-CG1 4.46Å; L1076-I1078 PolarHBondContact O-N 3.07Å; I1078-R1080 PolarHBondContact O-N 3.23Å; I1078-R1080 VanDerWaalsContact O-N 3.15Å
1079	D	48.3	Very low	65.1	Low	56 Å²	56	79.8 Å²	79.8	30%	0.299	42%	0.415	S	S	.	.	S	Bend	trans	-81.6	99.9	-169.3	-65.9	-16.8	0	0	0	112.9	K1064 L1076	K1064-D1079 VanDerWaalsContact CE-OD2 3.28Å; K1064-D1079 WeakPolarHBondContact CE-OD2 3.49Å; K1064-D1079 IonicContact NZ-OD1 2.85Å; K1064-D1079 PolarHBondContact NZ-OD1 3.17Å; K1064-D1079 IonicContact NZ-OD2 2.73Å; K1064-D1079 PolarHBondContact NZ-OD2 3.13Å; L1076-D1079 PolarHBondContact O-N 3.45Å
1080	R	44.4	Very low	64.8	Low	241 Å²	241	75 Å²	75	91%	0.909	39%	0.389	S	S	*	.	S	Bend	trans	66.7	59.9	157.2	-51.9	176.1	173.1	-173.6	-1.7	117.8	I1078	I1078-R1080 PolarHBondContact O-N 3.23Å; I1078-R1080 VanDerWaalsContact O-N 3.15Å
1081	L	43.9	Very low	64.8	Low	71 Å²	71	73.9 Å²	73.9	37%	0.372	39%	0.388	S	S	.	.			trans	-127.8	117.6	159.3	-71.3	174.5	0	0	0	111.5	F1086 S1089	L1081-F1086 HydrophobicContact CB-CE1 3.87Å; L1081-F1086 HydrophobicContact CB-CE2 3.9Å; L1081-F1086 HydrophobicContact CB-CZ 3.52Å; L1081-F1086 HydrophobicContact CD1-CD1 4.23Å; L1081-F1086 HydrophobicContact CD1-CE1 4.15Å; L1081-F1086 WeakPolarHBondContact O-CZ 3.4Å; L1081-S1089 WeakPolarHBondContact CD1-OG 3.31Å
1082	T	36.9	Very low	64.7	Low	135 Å²	135	78 Å²	78	83%	0.828	40%	0.401	S	S	*	.			trans	-73.5	152.7	172	44	0	0	0	0	110.9	G1084 F1086	T1082-G1084 PolarHBondContact O-N 2.97Å; T1082-F1086 WeakPolarHBondContact O-CE2 3.43Å
1083	A	36.6	Very low	64.5	Low	106 Å²	106	77.7 Å²	77.7	88%	0.876	40%	0.402	S	S	*	.	S	Bend	trans	-56.3	119.9	-175.4	0	0	0	0	0	112.3
1084	G	52.1	Low	64.7	Low	59 Å²	59	72.3 Å²	72.3	61%	0.608	38%	0.381	S	S	*	.	S	Bend	trans	175.8	-151.7	-171.2	0	0	0	0	0	112.8	T1082 F1086	T1082-G1084 PolarHBondContact O-N 2.97Å; G1084-F1086 PolarHBondContact O-N 3.09Å
1085	K	48.2	Very low	64.6	Low	181 Å²	181	76.2 Å²	76.2	79%	0.787	40%	0.395	S	S	*	.			trans	-71	70.1	176.7	-76.7	-171	170.7	-169.9	0	112.2	H1087	K1085-H1087 PolarHBondContact O-N 3.03Å; K1085-H1087 VanDerWaalsContact O-N 3.09Å
1086	F	51.4	Low	64.4	Low	54 Å²	54	74.4 Å²	74.4	24%	0.237	39%	0.387	C	S	.	.	H	α-helix	trans	-58.7	-21.9	-172.2	-114.1	-103	0	0	0	116.5	L1081 T1082 G1084 W1121	L1081-F1086 HydrophobicContact CB-CE1 3.87Å; L1081-F1086 HydrophobicContact CB-CE2 3.9Å; L1081-F1086 HydrophobicContact CB-CZ 3.52Å; L1081-F1086 HydrophobicContact CD1-CD1 4.23Å; L1081-F1086 HydrophobicContact CD1-CE1 4.15Å; L1081-F1086 WeakPolarHBondContact O-CZ 3.4Å; T1082-F1086 WeakPolarHBondContact O-CE2 3.43Å; G1084-F1086 PolarHBondContact O-N 3.09Å; F1086-W1121 HydrophobicContact CB-CH2 4.31Å
1087	H	59	Low	64.6	Low	93 Å²	93	74.3 Å²	74.3	43%	0.431	39%	0.387	S	S	.	.	H	α-helix	trans	-78.9	-41.8	-162.9	-60.5	80.7	0	0	0	113.8	K1085 L1091 W1121	K1085-H1087 PolarHBondContact O-N 3.03Å; K1085-H1087 VanDerWaalsContact O-N 3.09Å; H1087-L1091 VanDerWaalsContact O-CG 3.27Å; H1087-L1091 WeakPolarHBondContact O-CG 3.5Å; H1087-L1091 PolarHBondContact O-N 2.9Å; H1087-W1121 HydrophobicContact CB-CH2 4.23Å; H1087-W1121 AromaticContact CD2-CH2 3.15Å; H1087-W1121 WeakPolarHBondContact CD2-CH2 3.47Å; H1087-W1121 AromaticContact CD2-CZ2 3.54Å; H1087-W1121 AromaticContact CD2-CZ3 3.84Å; H1087-W1121 AromaticContact CE1-CH2 3.96Å; H1087-W1121 AromaticContact CE1-CZ2 3.86Å; H1087-W1121 AromaticContact CG-CH2 3.56Å; H1087-W1121 AromaticContact NE2-CH2 3.47Å; H1087-W1121 WeakPolarHBondContact NE2-CH2 3.45Å; H1087-W1121 AromaticContact NE2-CZ2 3.31Å; H1087-W1121 VanDerWaalsContact NE2-CZ2 3.31Å; H1087-W1121 WeakPolarHBondContact NE2-CZ2 3.46Å
1088	E	69.2	Low	65.7	Low	140 Å²	140	76.4 Å²	76.4	65%	0.654	39%	0.393	S	S	*	.	H	α-helix	trans	-74.9	-37.7	-169.5	-67.1	176.6	119.3	0	0	112.6	H1092	E1088-H1092 WeakPolarHBondContact O-CB 3.47Å; E1088-H1092 PolarHBondContact O-N 3.13Å
1089	S	69.6	Low	67.3	Low	46 Å²	46	71.4 Å²	71.4	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-68	-41.8	178.2	50.3	0	0	0	0	112.6	L1081 H1092 S1093	L1081-S1089 WeakPolarHBondContact CD1-OG 3.31Å; S1089-H1092 WeakPolarHBondContact O-CB 3.41Å; S1089-H1092 PolarHBondContact O-N 3.35Å; S1089-S1093 PolarHBondContact O-N 2.91Å; S1089-S1093 PolarHBondContact O-OG 3.34Å
1090	L	78.4	Confident	69.6	Low	1 Å²	1	68.8 Å²	68.8	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-49	177.6	-168.1	78.3	0	0	0	111.2	F1048 F1075 D1077 H1092 S1093 I1094 W1121 E1125	F1048-L1090 HydrophobicContact CE2-CD1 4.17Å; F1048-L1090 HydrophobicContact CZ-CD1 3.9Å; F1048-L1090 HydrophobicContact CZ-CG 4.21Å; F1075-L1090 HydrophobicContact CE1-CD1 4.3Å; D1077-L1090 HydrophobicContact CB-CD1 4.25Å; L1090-H1092 VanDerWaalsContact C-N 3.27Å; L1090-H1092 PolarHBondContact O-N 3.43Å; L1090-S1093 WeakPolarHBondContact O-CB 3.44Å; L1090-S1093 PolarHBondContact O-N 3.01Å; L1090-I1094 PolarHBondContact O-N 2.98Å; L1090-I1094 VanDerWaalsContact O-N 3.09Å; L1090-W1121 HydrophobicContact CD2-CE3 3.72Å; L1090-W1121 HydrophobicContact CD2-CZ3 3.61Å; L1090-E1125 HydrophobicContact CD2-CG 4.07Å
1091	L	82.6	Confident	72	Confident	36 Å²	36	57.3 Å²	57.3	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-68.3	-26.3	178.6	-60	173	0	0	0	112.1	H1087 I1094 R1095 C1128	H1087-L1091 VanDerWaalsContact O-CG 3.27Å; H1087-L1091 WeakPolarHBondContact O-CG 3.5Å; H1087-L1091 PolarHBondContact O-N 2.9Å; L1091-I1094 HydrophobicContact CD2-CD1 4.4Å; L1091-R1095 WeakPolarHBondContact O-CG 3.32Å; L1091-R1095 PolarHBondContact O-N 3.24Å; L1091-R1095 VanDerWaalsContact O-N 3.11Å; L1091-C1128 HydrophobicContact CD2-CB 3.66Å
1092	H	82.5	Confident	74.5	Confident	105 Å²	105	54 Å²	54	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-71.2	-40.5	170.7	-172.4	84.9	0	0	0	112.3	E1088 S1089 L1090 I1094 R1095 S1096	E1088-H1092 WeakPolarHBondContact O-CB 3.47Å; E1088-H1092 PolarHBondContact O-N 3.13Å; S1089-H1092 WeakPolarHBondContact O-CB 3.41Å; S1089-H1092 PolarHBondContact O-N 3.35Å; L1090-H1092 VanDerWaalsContact C-N 3.27Å; L1090-H1092 PolarHBondContact O-N 3.43Å; H1092-I1094 VanDerWaalsContact C-N 3.32Å; H1092-I1094 PolarHBondContact O-N 2.78Å; H1092-R1095 PolarHBondContact O-N 3.26Å; H1092-S1096 VanDerWaalsContact O-CB 3.31Å; H1092-S1096 WeakPolarHBondContact O-CB 3.44Å; H1092-S1096 PolarHBondContact O-N 3.07Å; H1092-S1096 PolarHBondContact O-OG 2.72Å
1093	S	83.1	Confident	77.3	Confident	12 Å²	12	47.5 Å²	47.5	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-40.2	173.1	-69.3	0	0	0	0	112	S1089 L1090 S1096 S1097	S1089-S1093 PolarHBondContact O-N 2.91Å; S1089-S1093 PolarHBondContact O-OG 3.34Å; L1090-S1093 WeakPolarHBondContact O-CB 3.44Å; L1090-S1093 PolarHBondContact O-N 3.01Å; S1093-S1096 CarbonylContact O-C 3.45Å; S1093-S1096 PolarHBondContact O-N 3.41Å; S1093-S1097 PolarHBondContact O-N 2.7Å
1094	I	87.5	Confident	80.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-50.3	174.2	-66.6	169.7	0	0	0	110.9	F1048 L1090 L1091 H1092 S1096 S1097 F1100 E1125 C1128 A1129 C1134	F1048-I1094 HydrophobicContact CD1-CD1 4.43Å; F1048-I1094 HydrophobicContact CD1-CG1 3.86Å; F1048-I1094 HydrophobicContact CD2-CG1 3.68Å; F1048-I1094 HydrophobicContact CE1-CD1 3.88Å; F1048-I1094 HydrophobicContact CE1-CG1 3.7Å; F1048-I1094 HydrophobicContact CE2-CD1 4.23Å; F1048-I1094 HydrophobicContact CE2-CG1 3.51Å; F1048-I1094 HydrophobicContact CG-CG1 3.86Å; F1048-I1094 HydrophobicContact CZ-CD1 3.77Å; F1048-I1094 HydrophobicContact CZ-CG1 3.52Å; L1090-I1094 PolarHBondContact O-N 2.98Å; L1090-I1094 VanDerWaalsContact O-N 3.09Å; L1091-I1094 HydrophobicContact CD2-CD1 4.4Å; H1092-I1094 VanDerWaalsContact C-N 3.32Å; H1092-I1094 PolarHBondContact O-N 2.78Å; I1094-S1096 PolarHBondContact O-N 3.37Å; I1094-S1096 VanDerWaalsContact O-N 3.13Å; I1094-S1097 PolarHBondContact O-N 3.45Å; I1094-S1097 PolarHBondContact O-OG 3.41Å; I1094-S1097 VanDerWaalsContact O-OG 3.1Å; I1094-F1100 HydrophobicContact CD1-CE2 3.94Å; I1094-F1100 HydrophobicContact CG1-CD2 4.34Å; I1094-F1100 HydrophobicContact CG1-CE2 4.03Å; I1094-F1100 HydrophobicContact CG2-CD2 4.06Å; I1094-F1100 HydrophobicContact CG2-CE2 4.19Å; I1094-E1125 HydrophobicContact CD1-CB 3.77Å; I1094-E1125 HydrophobicContact CD1-CG 3.79Å; I1094-C1128 HydrophobicContact CG2-CB 4.31Å; I1094-A1129 HydrophobicContact CG2-CB 3.92Å; I1094-C1134 PolarHBondContact O-SG 3.27Å
1095	R	86.1	Confident	82.1	Confident	94 Å²	94	39.9 Å²	39.9	36%	0.355	18%	0.184	S	C	.	.	H	α-helix	trans	-59.7	-25.3	176.9	-76.3	167.2	179.8	129.4	3.7	113.2	K1043 L1091 H1092 C1128 E1131	K1043-R1095 WeakPolarHBondContact CE-O 3.42Å; L1091-R1095 WeakPolarHBondContact O-CG 3.32Å; L1091-R1095 PolarHBondContact O-N 3.24Å; L1091-R1095 VanDerWaalsContact O-N 3.11Å; H1092-R1095 PolarHBondContact O-N 3.26Å; R1095-C1128 VanDerWaalsContact CZ-SG 3.51Å; R1095-E1131 IonicContact NH2-OE2 3.73Å; R1095-E1131 PolarHBondContact NH2-OE2 3.09Å
1096	S	83	Confident	84.3	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.014	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	3.6	178.5	-54	0	0	0	0	114.1	K1043 Y1044 I1045 H1092 S1093 I1094	K1043-S1096 CarbonylContact C-O 3.57Å; K1043-S1096 VanDerWaalsContact CA-O 3.23Å; K1043-S1096 WeakPolarHBondContact CA-O 3.47Å; K1043-S1096 WeakPolarHBondContact CB-O 3.46Å; Y1044-S1096 VanDerWaalsContact CE1-CB 3.41Å; Y1044-S1096 WeakPolarHBondContact CE1-OG 3.42Å; Y1044-S1096 PolarHBondContact N-O 3Å; I1045-S1096 PolarHBondContact N-O 3.28Å; I1045-S1096 VanDerWaalsContact N-O 3.13Å; H1092-S1096 VanDerWaalsContact O-CB 3.31Å; H1092-S1096 WeakPolarHBondContact O-CB 3.44Å; H1092-S1096 PolarHBondContact O-N 3.07Å; H1092-S1096 PolarHBondContact O-OG 2.72Å; S1093-S1096 CarbonylContact O-C 3.45Å; S1093-S1096 PolarHBondContact O-N 3.41Å; I1094-S1096 PolarHBondContact O-N 3.37Å; I1094-S1096 VanDerWaalsContact O-N 3.13Å
1097	S	88.4	Confident	86.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.4	178.8	83.8	0	0	0	0	113.2	K1043 I1045 S1093 I1094 N1099 C1134	K1043-S1097 WeakPolarHBondContact CD-O 3.26Å; K1043-S1097 WeakPolarHBondContact CE-O 3.22Å; K1043-S1097 PolarHBondContact NZ-O 2.81Å; I1045-S1097 CarbonylContact O-C 3.58Å; I1045-S1097 VanDerWaalsContact O-CA 3.25Å; I1045-S1097 WeakPolarHBondContact O-CA 3.4Å; S1093-S1097 PolarHBondContact O-N 2.7Å; I1094-S1097 PolarHBondContact O-N 3.45Å; I1094-S1097 PolarHBondContact O-OG 3.41Å; I1094-S1097 VanDerWaalsContact O-OG 3.1Å; S1097-N1099 PolarHBondContact OG-O 2.9Å; S1097-N1099 VanDerWaalsContact OG-O 3.09Å; S1097-C1134 PolarHBondContact O-SG 3.21Å
1098	Y	88.5	Confident	87.6	Confident	67 Å²	67	35.7 Å²	35.7	26%	0.263	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-51.1	169.2	-74.7	-79.8	0	0	0	111.2	K1043 I1045 N1135 P1185	K1043-Y1098 HydrophobicContact CB-CD1 4.26Å; K1043-Y1098 HydrophobicContact CB-CD2 3.92Å; K1043-Y1098 HydrophobicContact CB-CE1 3.95Å; K1043-Y1098 HydrophobicContact CB-CE2 3.58Å; K1043-Y1098 HydrophobicContact CB-CG 4.25Å; K1043-Y1098 HydrophobicContact CD-CD1 4.15Å; K1043-Y1098 HydrophobicContact CD-CE1 4.32Å; K1043-Y1098 HydrophobicContact CD-CG 4.48Å; K1043-Y1098 VanDerWaalsContact O-CE2 3.23Å; K1043-Y1098 WeakPolarHBondContact O-CE2 3.39Å; K1043-Y1098 PolarHBondContact O-OH 3.14Å; I1045-Y1098 WeakPolarHBondContact O-CD2 3.44Å; I1045-Y1098 PolarHBondContact O-N 2.95Å; Y1098-N1135 PolarHBondContact O-N 3.33Å; Y1098-P1185 HydrophobicContact CD2-CB 4.25Å; Y1098-P1185 HydrophobicContact CD2-CG 4.19Å; Y1098-P1185 HydrophobicContact CE1-CB 4.19Å; Y1098-P1185 HydrophobicContact CE2-CB 3.78Å; Y1098-P1185 HydrophobicContact CE2-CG 4.07Å
1099	N	94.4	Very high	88.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.1	-177.4	-53.6	-83.8	0	0	0	110.5	D1046 F1048 S1097 N1135 M1182 I1183	D1046-N1099 WeakPolarHBondContact O-CB 3.36Å; D1046-N1099 PolarHBondContact O-N 3.1Å; D1046-N1099 VanDerWaalsContact O-N 3.11Å; D1046-N1099 PolarHBondContact O-ND2 2.94Å; F1048-N1099 PolarHBondContact N-O 2.95Å; S1097-N1099 PolarHBondContact OG-O 2.9Å; S1097-N1099 VanDerWaalsContact OG-O 3.09Å; N1099-N1135 WeakPolarHBondContact CA-O 3.4Å; N1099-N1135 PolarHBondContact OD1-ND2 3.21Å; N1099-M1182 HydrophobicContact CB-CG 4.39Å; N1099-M1182 WeakPolarHBondContact OD1-CA 3.3Å; N1099-I1183 PolarHBondContact ND2-O 2.86Å; N1099-I1183 PolarHBondContact OD1-N 3.47Å
1100	F	95	Very high	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	106.8	177.9	-178.7	-86.1	0	0	0	108.5	F1048 I1094 L1102 E1125 V1126 A1129 C1134 N1135 I1136 I1137	F1048-F1100 HydrophobicContact CB-CD2 4.21Å; F1048-F1100 AromaticContact CD1-CD2 3.62Å; F1048-F1100 HydrophobicContact CD1-CD2 3.62Å; F1048-F1100 AromaticContact CD1-CE2 3.5Å; F1048-F1100 HydrophobicContact CD1-CE2 3.5Å; F1048-F1100 HydrophobicContact CE1-CD2 4.39Å; F1048-F1100 AromaticContact CE1-CE2 3.82Å; F1048-F1100 HydrophobicContact CE1-CE2 3.82Å; F1048-F1100 HydrophobicContact CG-CD2 4.21Å; F1048-F1100 HydrophobicContact CG-CE2 4.44Å; F1048-F1100 CarbonylContact O-C 3.52Å; F1048-F1100 WeakPolarHBondContact O-CA 3.38Å; I1094-F1100 HydrophobicContact CD1-CE2 3.94Å; I1094-F1100 HydrophobicContact CG1-CD2 4.34Å; I1094-F1100 HydrophobicContact CG1-CE2 4.03Å; I1094-F1100 HydrophobicContact CG2-CD2 4.06Å; I1094-F1100 HydrophobicContact CG2-CE2 4.19Å; F1100-L1102 HydrophobicContact CE1-CB 4.18Å; F1100-L1102 HydrophobicContact CE1-CD1 4.41Å; F1100-E1125 HydrophobicContact CE2-CB 4.31Å; F1100-E1125 HydrophobicContact CZ-CB 4.03Å; F1100-V1126 HydrophobicContact CE1-CG2 3.96Å; F1100-V1126 HydrophobicContact CZ-CG2 4.19Å; F1100-A1129 HydrophobicContact CB-CB 4.16Å; F1100-A1129 HydrophobicContact CD1-CB 3.85Å; F1100-A1129 HydrophobicContact CD2-CB 3.63Å; F1100-A1129 HydrophobicContact CE1-CB 4.08Å; F1100-A1129 HydrophobicContact CE2-CB 3.86Å; F1100-A1129 HydrophobicContact CG-CB 3.61Å; F1100-A1129 HydrophobicContact CZ-CB 4.07Å; F1100-C1134 HydrophobicContact CB-CB 4.05Å; F1100-N1135 PolarHBondContact N-O 3.38Å; F1100-I1136 HydrophobicContact CB-CG1 4.25Å; F1100-I1136 HydrophobicContact CD1-CG1 4.08Å; F1100-I1136 HydrophobicContact CD1-CG2 4.2Å; F1100-I1136 HydrophobicContact CG-CG1 4.5Å; F1100-I1136 CarbonylContact O-C 3.5Å; F1100-I1136 VanDerWaalsContact O-CA 3.3Å; F1100-I1136 WeakPolarHBondContact O-CA 3.39Å; F1100-I1137 PolarHBondContact O-N 2.89Å
1101	V	96.2	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.2	-178.8	169.5	0	0	0	0	108.6	I1047 F1048 I1049 S1050 L1063 F1067 V1103 I1137 I1139 V1178	I1047-V1101 HydrophobicContact CG2-CB 4.21Å; I1047-V1101 HydrophobicContact CG2-CG2 3.68Å; F1048-V1101 PolarHBondContact O-N 3.38Å; I1049-V1101 WeakPolarHBondContact CA-O 3.34Å; I1049-V1101 HydrophobicContact CG1-CB 4.31Å; S1050-V1101 PolarHBondContact N-O 3.43Å; L1063-V1101 HydrophobicContact CD1-CG1 4.36Å; F1067-V1101 HydrophobicContact CE2-CG2 4.42Å; V1101-V1103 HydrophobicContact CG1-CG2 4.41Å; V1101-I1137 WeakPolarHBondContact CA-O 3.39Å; V1101-I1139 HydrophobicContact CG1-CD1 3.46Å; V1101-I1139 VanDerWaalsContact CG1-CD1 3.46Å; V1101-I1139 HydrophobicContact CG1-CG1 4.01Å; V1101-V1178 HydrophobicContact CG2-CG1 4.49Å
1102	L	96	Very high	90.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	110.9	-178.3	179.3	63.4	0	0	0	110.4	F1100 L1104 I1122 V1126 I1137 P1138 I1139 I1158	F1100-L1102 HydrophobicContact CE1-CB 4.18Å; F1100-L1102 HydrophobicContact CE1-CD1 4.41Å; L1102-L1104 HydrophobicContact CD2-CD2 4.04Å; L1102-L1104 HydrophobicContact CD2-CG 4.38Å; L1102-L1104 HydrophobicContact CG-CD2 4Å; L1102-L1104 HydrophobicContact CG-CG 4.18Å; L1102-L1104 PolarHBondContact O-N 3.39Å; L1102-I1122 HydrophobicContact CD1-CG2 3.83Å; L1102-V1126 HydrophobicContact CD1-CG2 3.85Å; L1102-V1126 HydrophobicContact CD2-CG2 3.85Å; L1102-V1126 HydrophobicContact CG-CG2 4.46Å; L1102-I1137 PolarHBondContact N-O 3.25Å; L1102-P1138 WeakPolarHBondContact O-CA 3.41Å; L1102-I1139 PolarHBondContact O-N 3.06Å; L1102-I1158 HydrophobicContact CD2-CD1 3.78Å; L1102-I1158 HydrophobicContact CD2-CG1 3.72Å
1103	V	96.5	Very high	90.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	101.2	-175.7	-175	0	0	0	0	110.8	I1049 S1050 L1059 A1060 L1063 V1101 T1105	I1049-V1103 HydrophobicContact CG2-CG2 3.71Å; S1050-V1103 PolarHBondContact O-N 3.13Å; L1059-V1103 HydrophobicContact CB-CG1 4.14Å; L1059-V1103 HydrophobicContact CD2-CG1 3.78Å; L1059-V1103 HydrophobicContact CG-CG1 3.91Å; A1060-V1103 HydrophobicContact CB-CG2 4.22Å; L1063-V1103 HydrophobicContact CD1-CG2 3.66Å; V1101-V1103 HydrophobicContact CG1-CG2 4.41Å; V1103-T1105 HydrophobicContact CG1-CG2 4.38Å; V1103-T1105 PolarHBondContact O-N 3.08Å
1104	L	95.4	Very high	90.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	88.8	179.5	-61.5	175.4	0	0	0	109.9	L1102 A1108 L1109 P1138 I1139 T1140 D1141 F1143 W1145	L1102-L1104 HydrophobicContact CD2-CD2 4.04Å; L1102-L1104 HydrophobicContact CD2-CG 4.38Å; L1102-L1104 HydrophobicContact CG-CD2 4Å; L1102-L1104 HydrophobicContact CG-CG 4.18Å; L1102-L1104 PolarHBondContact O-N 3.39Å; L1104-A1108 HydrophobicContact CD2-CB 4.19Å; L1104-L1109 HydrophobicContact CD2-CD1 4.26Å; L1104-L1109 HydrophobicContact CD2-CD2 3.96Å; L1104-L1109 HydrophobicContact CD2-CG 3.92Å; L1104-P1138 HydrophobicContact CD1-CB 3.95Å; L1104-I1139 PolarHBondContact N-O 2.96Å; L1104-T1140 HydrophobicContact CB-CG2 4.07Å; L1104-T1140 HydrophobicContact CD1-CG2 4.07Å; L1104-T1140 WeakPolarHBondContact O-CA 3.43Å; L1104-D1141 PolarHBondContact O-N 3.18Å; L1104-F1143 HydrophobicContact CB-CB 4.22Å; L1104-F1143 HydrophobicContact CB-CD1 3.76Å; L1104-F1143 HydrophobicContact CB-CD2 4.37Å; L1104-F1143 HydrophobicContact CB-CE1 4.17Å; L1104-F1143 HydrophobicContact CB-CG 3.86Å; L1104-F1143 HydrophobicContact CD1-CD1 4.07Å; L1104-F1143 HydrophobicContact CD1-CE1 3.89Å; L1104-F1143 HydrophobicContact CD2-CE1 4.38Å; L1104-F1143 HydrophobicContact CD2-CZ 4.35Å; L1104-F1143 HydrophobicContact CG-CD1 4.42Å; L1104-F1143 HydrophobicContact CG-CE1 4.38Å; L1104-F1143 VanDerWaalsContact O-CB 3.22Å; L1104-F1143 WeakPolarHBondContact O-CB 3.27Å; L1104-W1145 HydrophobicContact CD1-CH2 3.42Å; L1104-W1145 VanDerWaalsContact CD1-CH2 3.42Å; L1104-W1145 HydrophobicContact CD1-CZ2 3.7Å; L1104-W1145 HydrophobicContact CD1-CZ3 3.99Å
1105	T	94	Very high	90.6	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.025	18%	0.178	C	C	.	.			trans	-87.4	170.4	166.4	39.6	0	0	0	0	110.8	T1055 G1056 L1059 V1103 R1107 A1108 D1141 F1143	T1055-T1105 WeakPolarHBondContact CB-OG1 3.48Å; T1055-T1105 PolarHBondContact OG1-OG1 2.84Å; G1056-T1105 WeakPolarHBondContact CA-OG1 3.5Å; G1056-T1105 PolarHBondContact N-OG1 2.7Å; L1059-T1105 HydrophobicContact CD2-CG2 4.43Å; V1103-T1105 HydrophobicContact CG1-CG2 4.38Å; V1103-T1105 PolarHBondContact O-N 3.08Å; T1105-R1107 PolarHBondContact O-N 2.9Å; T1105-A1108 WeakPolarHBondContact O-CB 3.36Å; T1105-A1108 PolarHBondContact O-N 2.95Å; T1105-D1141 HydrophobicContact CG2-CB 4.28Å; T1105-F1143 VanDerWaalsContact O-CD2 3.22Å; T1105-F1143 WeakPolarHBondContact O-CD2 3.48Å
1106	P	93.5	Very high	90.4	Very high	62 Å²	62	41.7 Å²	41.7	40%	0.403	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	134.7	177.4	-23.7	35.6	0	0	0	110.2	A1108 D1141 N1142	P1106-A1108 VanDerWaalsContact C-N 3.26Å; P1106-A1108 PolarHBondContact O-N 3.22Å; P1106-D1141 VanDerWaalsContact CD-O 3.28Å; P1106-D1141 WeakPolarHBondContact CD-O 3.5Å; P1106-N1142 HydrophobicContact CG-CB 4.01Å
1107	R	89.2	Confident	90.4	Very high	177 Å²	177	49.4 Å²	49.4	67%	0.668	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	14.9	-178.3	-49.1	-175	65.2	-174.3	-1.7	116.3	T1105 L1109 D1110	T1105-R1107 PolarHBondContact O-N 2.9Å; R1107-L1109 VanDerWaalsContact C-N 3.34Å; R1107-L1109 PolarHBondContact O-N 3.31Å; R1107-D1110 VanDerWaalsContact CA-OD1 3.22Å; R1107-D1110 WeakPolarHBondContact CA-OD1 3.36Å; R1107-D1110 HydrophobicContact CB-CB 4.49Å; R1107-D1110 WeakPolarHBondContact CB-OD1 3.32Å; R1107-D1110 IonicContact CZ-OD2 3.57Å; R1107-D1110 VanDerWaalsContact CZ-OD2 3.24Å; R1107-D1110 IonicContact NE-OD2 3.81Å; R1107-D1110 PolarHBondContact NE-OD2 2.78Å; R1107-D1110 IonicContact NH2-OD2 2.76Å; R1107-D1110 PolarHBondContact NH2-OD2 3.12Å; R1107-D1110 PolarHBondContact O-N 2.88Å
1108	A	91.1	Very high	90.2	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-40.5	-179.8	0	0	0	0	0	113.8	R1052 L1104 T1105 P1106 F1143	R1052-A1108 HydrophobicContact CB-CB 4.17Å; R1052-A1108 VanDerWaalsContact CZ-O 3.25Å; R1052-A1108 PolarHBondContact NE-O 3.2Å; R1052-A1108 PolarHBondContact NH2-O 3.42Å; L1104-A1108 HydrophobicContact CD2-CB 4.19Å; T1105-A1108 WeakPolarHBondContact O-CB 3.36Å; T1105-A1108 PolarHBondContact O-N 2.95Å; P1106-A1108 VanDerWaalsContact C-N 3.26Å; P1106-A1108 PolarHBondContact O-N 3.22Å; A1108-F1143 HydrophobicContact CB-CE2 4.5Å
1109	L	92.2	Very high	89.9	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.6	-178.7	-60.2	-173.5	0	0	0	114.8	L1104 R1107 R1111 C1112 L1113 I1122 F1143 P1146 L1151	L1104-L1109 HydrophobicContact CD2-CD1 4.26Å; L1104-L1109 HydrophobicContact CD2-CD2 3.96Å; L1104-L1109 HydrophobicContact CD2-CG 3.92Å; R1107-L1109 VanDerWaalsContact C-N 3.34Å; R1107-L1109 PolarHBondContact O-N 3.31Å; L1109-R1111 PolarHBondContact O-N 3.14Å; L1109-R1111 VanDerWaalsContact O-N 3.07Å; L1109-C1112 WeakPolarHBondContact O-CB 3.37Å; L1109-C1112 PolarHBondContact O-N 3.4Å; L1109-L1113 PolarHBondContact O-N 3.39Å; L1109-I1122 HydrophobicContact CD2-CG2 4.34Å; L1109-F1143 HydrophobicContact CB-CZ 4.4Å; L1109-F1143 HydrophobicContact CD1-CZ 3.92Å; L1109-F1143 HydrophobicContact CG-CE2 4.41Å; L1109-F1143 HydrophobicContact CG-CZ 3.98Å; L1109-P1146 HydrophobicContact CD1-CG 4.46Å; L1109-L1151 HydrophobicContact CD1-CD2 4.26Å
1110	D	91	Very high	89.5	Confident	64 Å²	64	52.7 Å²	52.7	34%	0.342	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-41.3	-175.9	-84.6	29.3	0	0	0	113.6	R1107 C1112	R1107-D1110 VanDerWaalsContact CA-OD1 3.22Å; R1107-D1110 WeakPolarHBondContact CA-OD1 3.36Å; R1107-D1110 HydrophobicContact CB-CB 4.49Å; R1107-D1110 WeakPolarHBondContact CB-OD1 3.32Å; R1107-D1110 IonicContact CZ-OD2 3.57Å; R1107-D1110 VanDerWaalsContact CZ-OD2 3.24Å; R1107-D1110 IonicContact NE-OD2 3.81Å; R1107-D1110 PolarHBondContact NE-OD2 2.78Å; R1107-D1110 IonicContact NH2-OD2 2.76Å; R1107-D1110 PolarHBondContact NH2-OD2 3.12Å; R1107-D1110 PolarHBondContact O-N 2.88Å; D1110-C1112 VanDerWaalsContact C-N 3.34Å
1111	R	88.6	Confident	89.1	Confident	163 Å²	163	57 Å²	57	62%	0.615	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.3	-177.9	-56.6	-174	-175.1	-179.5	-0.7	114.1	L1109 D1120	L1109-R1111 PolarHBondContact O-N 3.14Å; L1109-R1111 VanDerWaalsContact O-N 3.07Å; R1111-D1120 HydrophobicContact CB-CB 4.44Å
1112	C	89.4	Confident	88.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-16.8	175.5	-48.4	0	0	0	0	111.4	L1109 D1110 N1114 D1115 P1152 L1155	L1109-C1112 WeakPolarHBondContact O-CB 3.37Å; L1109-C1112 PolarHBondContact O-N 3.4Å; D1110-C1112 VanDerWaalsContact C-N 3.34Å; C1112-N1114 PolarHBondContact O-N 3.32Å; C1112-D1115 WeakPolarHBondContact O-CB 3.41Å; C1112-D1115 PolarHBondContact O-N 3.46Å; C1112-D1115 VanDerWaalsContact O-N 3.13Å; C1112-P1152 WeakPolarHBondContact O-CD 3.46Å; C1112-P1152 WeakPolarHBondContact O-CG 3.43Å; C1112-L1155 HydrophobicContact CB-CD2 3.56Å
1113	L	86.7	Confident	88.6	Confident	59 Å²	59	57.1 Å²	57.1	31%	0.309	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	120.9	176.2	-59.6	175.8	0	0	0	109.8	L1109 D1115 P1146 L1151	L1109-L1113 PolarHBondContact O-N 3.39Å; L1113-D1115 PolarHBondContact O-N 2.93Å; L1113-P1146 HydrophobicContact CD2-CB 3.79Å; L1113-P1146 HydrophobicContact CD2-CG 4.09Å; L1113-L1151 HydrophobicContact CD2-CD2 4Å
1114	N	80.8	Confident	88.2	Confident	121 Å²	121	59.7 Å²	59.7	65%	0.647	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	21.9	-174	-45.3	-73.5	0	0	0	115.9	C1112 I1116 S1150	C1112-N1114 PolarHBondContact O-N 3.32Å; N1114-I1116 PolarHBondContact O-N 3.39Å; N1114-S1150 PolarHBondContact N-O 2.81Å
1115	D	87.1	Confident	88	Confident	13 Å²	13	60 Å²	60	7%	0.07	29%	0.288	C	S	.	.			trans	-77	61.8	176.7	-177.8	33.3	0	0	0	112.6	C1112 L1113 H1117 C1118 T1119 D1120 H1123 P1152	C1112-D1115 WeakPolarHBondContact O-CB 3.41Å; C1112-D1115 PolarHBondContact O-N 3.46Å; C1112-D1115 VanDerWaalsContact O-N 3.13Å; L1113-D1115 PolarHBondContact O-N 2.93Å; D1115-H1117 PolarHBondContact O-N 2.86Å; D1115-C1118 PolarHBondContact O-N 3.17Å; D1115-C1118 WeakPolarHBondContact OD2-CA 3.18Å; D1115-T1119 VanDerWaalsContact CG-N 3.26Å; D1115-T1119 WeakPolarHBondContact OD1-CB 3.23Å; D1115-T1119 PolarHBondContact OD1-N 2.72Å; D1115-T1119 PolarHBondContact OD1-OG1 3.21Å; D1115-T1119 PolarHBondContact OD2-N 3.18Å; D1115-D1120 PolarHBondContact OD2-N 3.01Å; D1115-H1123 PolarHBondContact O-CE1 2.99Å; D1115-H1123 PolarHBondContact O-ND1 3.3Å; D1115-H1123 IonicContact OD2-CE1 3.97Å; D1115-H1123 IonicContact OD2-CG 2.65Å; D1115-H1123 IonicContact OD2-ND1 3.39Å; D1115-H1123 PolarHBondContact OD2-ND1 2.87Å; D1115-P1152 HydrophobicContact CB-CG 4.43Å
1116	I	82	Confident	87.9	Confident	138 Å²	138	59.9 Å²	59.9	71%	0.708	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.4	-174.2	-61.8	161.6	0	0	0	113	N1114	N1114-I1116 PolarHBondContact O-N 3.39Å
1117	H	82.3	Confident	87.9	Confident	163 Å²	163	58 Å²	58	76%	0.755	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	10.6	-179.5	-63.1	-36.5	0	0	0	113.7	D1115 T1119	D1115-H1117 PolarHBondContact O-N 2.86Å; H1117-T1119 VanDerWaalsContact C-N 3.33Å; H1117-T1119 HydrophobicContact CB-CG2 3.83Å; H1117-T1119 PolarHBondContact O-N 2.99Å
1118	C	84.5	Confident	87.9	Confident	33 Å²	33	49.7 Å²	49.7	22%	0.223	24%	0.243	C	C	.	.			trans	46.5	55.7	-178.2	-157.2	0	0	0	0	111.7	D1115 K1124	D1115-C1118 PolarHBondContact O-N 3.17Å; D1115-C1118 WeakPolarHBondContact OD2-CA 3.18Å; C1118-K1124 WeakPolarHBondContact O-CE 3.17Å
1119	T	81.3	Confident	87.9	Confident	87 Å²	87	49.7 Å²	49.7	53%	0.534	24%	0.243	S	C	.	.			trans	-88.8	-35	-176.3	66.7	0	0	0	0	112.3	D1115 H1117 K1124	D1115-T1119 VanDerWaalsContact CG-N 3.26Å; D1115-T1119 WeakPolarHBondContact OD1-CB 3.23Å; D1115-T1119 PolarHBondContact OD1-N 2.72Å; D1115-T1119 PolarHBondContact OD1-OG1 3.21Å; D1115-T1119 PolarHBondContact OD2-N 3.18Å; H1117-T1119 VanDerWaalsContact C-N 3.33Å; H1117-T1119 HydrophobicContact CB-CG2 3.83Å; H1117-T1119 PolarHBondContact O-N 2.99Å; T1119-K1124 WeakPolarHBondContact O-CE 3.36Å; T1119-K1124 PolarHBondContact O-NZ 2.88Å
1120	D	87.6	Confident	87.9	Confident	17 Å²	17	51.8 Å²	51.8	9%	0.091	25%	0.254	C	S	.	.	S	Bend	trans	-74	146.8	-178.8	-169.8	-106.1	0	0	0	111.9	R1052 R1111 D1115 I1122 H1123 K1124	R1052-D1120 IonicContact CZ-OD1 3.61Å; R1052-D1120 VanDerWaalsContact CZ-OD1 3.25Å; R1052-D1120 IonicContact CZ-OD2 2.97Å; R1052-D1120 IonicContact NH1-OD1 3.96Å; R1052-D1120 PolarHBondContact NH1-OD1 3.45Å; R1052-D1120 IonicContact NH1-OD2 3.56Å; R1052-D1120 PolarHBondContact NH1-OD2 2.72Å; R1052-D1120 IonicContact NH2-OD1 3.65Å; R1052-D1120 PolarHBondContact NH2-OD1 3.19Å; R1052-D1120 IonicContact NH2-OD2 2.68Å; R1111-D1120 HydrophobicContact CB-CB 4.44Å; D1115-D1120 PolarHBondContact OD2-N 3.01Å; D1120-I1122 PolarHBondContact OD1-N 2.8Å; D1120-H1123 HydrophobicContact CB-CB 4.25Å; D1120-H1123 WeakPolarHBondContact O-CB 3.31Å; D1120-H1123 PolarHBondContact O-N 3.36Å; D1120-K1124 WeakPolarHBondContact O-CG 3.49Å; D1120-K1124 PolarHBondContact O-N 2.83Å; D1120-K1124 VanDerWaalsContact O-N 3.13Å
1121	W	85.8	Confident	87.8	Confident	90 Å²	90	55.1 Å²	55.1	34%	0.341	27%	0.268	S	S	.	.	H	α-helix	trans	-67.6	-42.2	-176.5	-78.9	95.8	0	0	0	113.1	F1086 H1087 L1090 H1123 K1124 E1125	F1086-W1121 HydrophobicContact CB-CH2 4.31Å; H1087-W1121 HydrophobicContact CB-CH2 4.23Å; H1087-W1121 AromaticContact CD2-CH2 3.15Å; H1087-W1121 WeakPolarHBondContact CD2-CH2 3.47Å; H1087-W1121 AromaticContact CD2-CZ2 3.54Å; H1087-W1121 AromaticContact CD2-CZ3 3.84Å; H1087-W1121 AromaticContact CE1-CH2 3.96Å; H1087-W1121 AromaticContact CE1-CZ2 3.86Å; H1087-W1121 AromaticContact CG-CH2 3.56Å; H1087-W1121 AromaticContact NE2-CH2 3.47Å; H1087-W1121 WeakPolarHBondContact NE2-CH2 3.45Å; H1087-W1121 AromaticContact NE2-CZ2 3.31Å; H1087-W1121 VanDerWaalsContact NE2-CZ2 3.31Å; H1087-W1121 WeakPolarHBondContact NE2-CZ2 3.46Å; L1090-W1121 HydrophobicContact CD2-CE3 3.72Å; L1090-W1121 HydrophobicContact CD2-CZ3 3.61Å; W1121-H1123 PolarHBondContact O-N 3.5Å; W1121-K1124 PolarHBondContact O-N 2.8Å; W1121-E1125 WeakPolarHBondContact O-CB 3.47Å; W1121-E1125 WeakPolarHBondContact O-CG 3.28Å; W1121-E1125 PolarHBondContact O-N 3.35Å
1122	I	90.1	Very high	87.6	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-36.3	178.3	-56.3	-174.4	0	0	0	110.2	R1052 L1102 L1109 D1120 E1125 V1126	R1052-I1122 HydrophobicContact CB-CD1 3.73Å; R1052-I1122 VanDerWaalsContact CZ-CD1 3.45Å; L1102-I1122 HydrophobicContact CD1-CG2 3.83Å; L1109-I1122 HydrophobicContact CD2-CG2 4.34Å; D1120-I1122 PolarHBondContact OD1-N 2.8Å; I1122-E1125 PolarHBondContact O-N 2.9Å; I1122-V1126 HydrophobicContact CG2-CG2 4.06Å; I1122-V1126 WeakPolarHBondContact O-CB 3.4Å; I1122-V1126 VanDerWaalsContact O-CG2 3.27Å; I1122-V1126 WeakPolarHBondContact O-CG2 3.21Å; I1122-V1126 PolarHBondContact O-N 3.47Å
1123	H	91.2	Very high	87.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-51	176.2	-167.8	-173.2	0	0	0	111.2	D1115 D1120 W1121 E1125 V1126 V1127 D1154	D1115-H1123 PolarHBondContact O-CE1 2.99Å; D1115-H1123 PolarHBondContact O-ND1 3.3Å; D1115-H1123 IonicContact OD2-CE1 3.97Å; D1115-H1123 IonicContact OD2-CG 2.65Å; D1115-H1123 IonicContact OD2-ND1 3.39Å; D1115-H1123 PolarHBondContact OD2-ND1 2.87Å; D1120-H1123 HydrophobicContact CB-CB 4.25Å; D1120-H1123 WeakPolarHBondContact O-CB 3.31Å; D1120-H1123 PolarHBondContact O-N 3.36Å; W1121-H1123 PolarHBondContact O-N 3.5Å; H1123-E1125 VanDerWaalsContact C-N 3.34Å; H1123-E1125 PolarHBondContact O-N 2.81Å; H1123-V1126 PolarHBondContact O-N 3.29Å; H1123-V1127 WeakPolarHBondContact O-CB 3.37Å; H1123-V1127 WeakPolarHBondContact O-CG2 3.25Å; H1123-V1127 PolarHBondContact O-N 3.07Å; H1123-D1154 IonicContact CE1-OD1 3.54Å; H1123-D1154 IonicContact NE2-OD1 3.5Å; H1123-D1154 PolarHBondContact NE2-OD1 3.19Å; H1123-D1154 IonicContact NE2-OD2 2.7Å
1124	K	88.8	Confident	87.6	Confident	54 Å²	54	49.3 Å²	49.3	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-42.4	175.1	-67.1	166.2	-175	163.3	0	113	C1118 T1119 D1120 W1121 C1128	C1118-K1124 WeakPolarHBondContact O-CE 3.17Å; T1119-K1124 WeakPolarHBondContact O-CE 3.36Å; T1119-K1124 PolarHBondContact O-NZ 2.88Å; D1120-K1124 WeakPolarHBondContact O-CG 3.49Å; D1120-K1124 PolarHBondContact O-N 2.83Å; D1120-K1124 VanDerWaalsContact O-N 3.13Å; W1121-K1124 PolarHBondContact O-N 2.8Å; K1124-C1128 WeakPolarHBondContact O-CB 3.32Å; K1124-C1128 PolarHBondContact O-N 3.02Å
1125	E	91.1	Very high	88.2	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-46.1	-178.7	-70.3	167.4	-148.3	0	0	111.7	S1050 L1090 I1094 F1100 W1121 I1122 H1123 C1128 A1129	S1050-E1125 WeakPolarHBondContact CB-OE2 3.39Å; S1050-E1125 PolarHBondContact OG-OE2 3.47Å; L1090-E1125 HydrophobicContact CD2-CG 4.07Å; I1094-E1125 HydrophobicContact CD1-CB 3.77Å; I1094-E1125 HydrophobicContact CD1-CG 3.79Å; F1100-E1125 HydrophobicContact CE2-CB 4.31Å; F1100-E1125 HydrophobicContact CZ-CB 4.03Å; W1121-E1125 WeakPolarHBondContact O-CB 3.47Å; W1121-E1125 WeakPolarHBondContact O-CG 3.28Å; W1121-E1125 PolarHBondContact O-N 3.35Å; I1122-E1125 PolarHBondContact O-N 2.9Å; H1123-E1125 VanDerWaalsContact C-N 3.34Å; H1123-E1125 PolarHBondContact O-N 2.81Å; E1125-C1128 PolarHBondContact O-N 3.25Å; E1125-A1129 WeakPolarHBondContact O-CB 3.42Å; E1125-A1129 PolarHBondContact O-N 3.35Å
1126	V	92.1	Very high	88.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-42.8	179.4	176.4	0	0	0	0	111.3	F1100 L1102 I1122 H1123 C1128 A1129 L1130 L1155 I1158	F1100-V1126 HydrophobicContact CE1-CG2 3.96Å; F1100-V1126 HydrophobicContact CZ-CG2 4.19Å; L1102-V1126 HydrophobicContact CD1-CG2 3.85Å; L1102-V1126 HydrophobicContact CD2-CG2 3.85Å; L1102-V1126 HydrophobicContact CG-CG2 4.46Å; I1122-V1126 HydrophobicContact CG2-CG2 4.06Å; I1122-V1126 WeakPolarHBondContact O-CB 3.4Å; I1122-V1126 VanDerWaalsContact O-CG2 3.27Å; I1122-V1126 WeakPolarHBondContact O-CG2 3.21Å; I1122-V1126 PolarHBondContact O-N 3.47Å; H1123-V1126 PolarHBondContact O-N 3.29Å; V1126-C1128 VanDerWaalsContact C-N 3.33Å; V1126-C1128 PolarHBondContact O-N 3.18Å; V1126-A1129 WeakPolarHBondContact O-CB 3.5Å; V1126-A1129 PolarHBondContact O-N 3.47Å; V1126-A1129 VanDerWaalsContact O-N 3.15Å; V1126-L1130 HydrophobicContact CG1-CD1 4Å; V1126-L1130 HydrophobicContact CG1-CG 4.45Å; V1126-L1130 VanDerWaalsContact O-CG 3.31Å; V1126-L1130 WeakPolarHBondContact O-CG 3.46Å; V1126-L1130 PolarHBondContact O-N 3.06Å; V1126-L1155 HydrophobicContact CB-CD1 3.76Å; V1126-L1155 HydrophobicContact CG1-CD1 3.5Å; V1126-L1155 HydrophobicContact CG2-CD1 4.41Å; V1126-I1158 HydrophobicContact CG1-CD1 4.21Å; V1126-I1158 HydrophobicContact CG1-CG1 4.44Å
1127	V	92.3	Very high	89.2	Confident	23 Å²	23	38.8 Å²	38.8	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-43.6	174.8	171.4	0	0	0	0	110.7	H1123 A1129 L1130 E1131 D1154	H1123-V1127 WeakPolarHBondContact O-CB 3.37Å; H1123-V1127 WeakPolarHBondContact O-CG2 3.25Å; H1123-V1127 PolarHBondContact O-N 3.07Å; V1127-A1129 VanDerWaalsContact C-N 3.34Å; V1127-A1129 PolarHBondContact O-N 3.4Å; V1127-L1130 WeakPolarHBondContact O-CB 3.44Å; V1127-L1130 PolarHBondContact O-N 3.02Å; V1127-E1131 WeakPolarHBondContact O-CG 3.32Å; V1127-E1131 PolarHBondContact O-N 2.58Å; V1127-D1154 HydrophobicContact CG2-CB 4.11Å
1128	C	90.2	Very high	89.9	Confident	3 Å²	3	31 Å²	31	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-37.1	174	-175.1	0	0	0	0	113.1	L1091 I1094 R1095 K1124 E1125 V1126 S1132	L1091-C1128 HydrophobicContact CD2-CB 3.66Å; I1094-C1128 HydrophobicContact CG2-CB 4.31Å; R1095-C1128 VanDerWaalsContact CZ-SG 3.51Å; K1124-C1128 WeakPolarHBondContact O-CB 3.32Å; K1124-C1128 PolarHBondContact O-N 3.02Å; E1125-C1128 PolarHBondContact O-N 3.25Å; V1126-C1128 VanDerWaalsContact C-N 3.33Å; V1126-C1128 PolarHBondContact O-N 3.18Å; C1128-S1132 VanDerWaalsContact O-CB 3.23Å; C1128-S1132 WeakPolarHBondContact O-CB 3.44Å; C1128-S1132 PolarHBondContact O-N 2.7Å; C1128-S1132 PolarHBondContact O-OG 3.42Å
1129	A	91.8	Very high	90.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68	-37.2	176.5	0	0	0	0	0	112.4	I1094 F1100 E1125 V1126 V1127 S1132 G1133 C1134 I1136	I1094-A1129 HydrophobicContact CG2-CB 3.92Å; F1100-A1129 HydrophobicContact CB-CB 4.16Å; F1100-A1129 HydrophobicContact CD1-CB 3.85Å; F1100-A1129 HydrophobicContact CD2-CB 3.63Å; F1100-A1129 HydrophobicContact CE1-CB 4.08Å; F1100-A1129 HydrophobicContact CE2-CB 3.86Å; F1100-A1129 HydrophobicContact CG-CB 3.61Å; F1100-A1129 HydrophobicContact CZ-CB 4.07Å; E1125-A1129 WeakPolarHBondContact O-CB 3.42Å; E1125-A1129 PolarHBondContact O-N 3.35Å; V1126-A1129 WeakPolarHBondContact O-CB 3.5Å; V1126-A1129 PolarHBondContact O-N 3.47Å; V1126-A1129 VanDerWaalsContact O-N 3.15Å; V1127-A1129 VanDerWaalsContact C-N 3.34Å; V1127-A1129 PolarHBondContact O-N 3.4Å; A1129-S1132 PolarHBondContact O-OG 3.04Å; A1129-G1133 PolarHBondContact O-N 3.05Å; A1129-C1134 HydrophobicContact CB-CB 4.36Å; A1129-C1134 PolarHBondContact O-N 3.18Å; A1129-I1136 HydrophobicContact CB-CD1 3.95Å; A1129-I1136 HydrophobicContact CB-CG1 4.12Å
1130	L	90.9	Very high	91.1	Very high	47 Å²	47	25.8 Å²	25.8	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-52.2	172.9	-69.7	162.4	0	0	0	111	V1126 V1127 S1132 G1133 I1136 S1157 Y1161	V1126-L1130 HydrophobicContact CG1-CD1 4Å; V1126-L1130 HydrophobicContact CG1-CG 4.45Å; V1126-L1130 VanDerWaalsContact O-CG 3.31Å; V1126-L1130 WeakPolarHBondContact O-CG 3.46Å; V1126-L1130 PolarHBondContact O-N 3.06Å; V1127-L1130 WeakPolarHBondContact O-CB 3.44Å; V1127-L1130 PolarHBondContact O-N 3.02Å; L1130-S1132 PolarHBondContact O-N 2.89Å; L1130-G1133 PolarHBondContact O-N 3.23Å; L1130-I1136 HydrophobicContact CD2-CD1 3.62Å; L1130-I1136 HydrophobicContact CG-CD1 3.74Å; L1130-S1157 VanDerWaalsContact CD1-OG 3.22Å; L1130-S1157 WeakPolarHBondContact CD1-OG 3.46Å; L1130-Y1161 HydrophobicContact CD2-CE2 4.21Å; L1130-Y1161 WeakPolarHBondContact CD2-OH 3.33Å
1131	E	89.8	Confident	91.5	Very high	134 Å²	134	25.8 Å²	25.8	63%	0.626	14%	0.142	S	C	*	.	H	α-helix	trans	-54.3	-39.6	175.8	-76.1	-177.7	166.3	0	0	112.9	R1095 V1127 G1133	R1095-E1131 IonicContact NH2-OE2 3.73Å; R1095-E1131 PolarHBondContact NH2-OE2 3.09Å; V1127-E1131 WeakPolarHBondContact O-CG 3.32Å; V1127-E1131 PolarHBondContact O-N 2.58Å; E1131-G1133 VanDerWaalsContact C-N 3.34Å
1132	S	85.1	Confident	91.7	Very high	29 Å²	29	27.6 Å²	27.6	20%	0.203	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.7	-173.7	63.4	0	0	0	0	114.8	K1043 C1128 A1129 L1130 C1134	K1043-S1132 PolarHBondContact NZ-O 3.34Å; C1128-S1132 VanDerWaalsContact O-CB 3.23Å; C1128-S1132 WeakPolarHBondContact O-CB 3.44Å; C1128-S1132 PolarHBondContact O-N 2.7Å; C1128-S1132 PolarHBondContact O-OG 3.42Å; A1129-S1132 PolarHBondContact O-OG 3.04Å; L1130-S1132 PolarHBondContact O-N 2.89Å; S1132-C1134 VanDerWaalsContact C-N 3.27Å; S1132-C1134 PolarHBondContact O-N 2.84Å; S1132-C1134 PolarHBondContact OG-SG 3.27Å
1133	G	85.6	Confident	91.8	Very high	61 Å²	61	28.6 Å²	28.6	63%	0.629	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	42.5	179.3	0	0	0	0	0	112.2	A1129 L1130 E1131	A1129-G1133 PolarHBondContact O-N 3.05Å; L1130-G1133 PolarHBondContact O-N 3.23Å; E1131-G1133 VanDerWaalsContact C-N 3.34Å
1134	C	89	Confident	91.7	Very high	10 Å²	10	34.2 Å²	34.2	7%	0.068	20%	0.198	C	C	.	.			trans	-79.8	147.5	171.2	-68.6	0	0	0	0	110	K1043 I1094 S1097 F1100 A1129 S1132 I1136	K1043-C1134 PolarHBondContact NZ-SG 3.36Å; I1094-C1134 PolarHBondContact O-SG 3.27Å; S1097-C1134 PolarHBondContact O-SG 3.21Å; F1100-C1134 HydrophobicContact CB-CB 4.05Å; A1129-C1134 HydrophobicContact CB-CB 4.36Å; A1129-C1134 PolarHBondContact O-N 3.18Å; S1132-C1134 VanDerWaalsContact C-N 3.27Å; S1132-C1134 PolarHBondContact O-N 2.84Å; S1132-C1134 PolarHBondContact OG-SG 3.27Å; C1134-I1136 PolarHBondContact O-N 3.22Å; C1134-I1136 VanDerWaalsContact O-N 3.12Å
1135	N	93.5	Very high	91.7	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.219	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	100.5	176.7	179.6	48.5	0	0	0	109.6	Y1098 N1099 F1100 F1181 I1183	Y1098-N1135 PolarHBondContact O-N 3.33Å; N1099-N1135 WeakPolarHBondContact CA-O 3.4Å; N1099-N1135 PolarHBondContact OD1-ND2 3.21Å; F1100-N1135 PolarHBondContact N-O 3.38Å; N1135-F1181 PolarHBondContact ND2-O 3.38Å; N1135-I1183 HydrophobicContact CB-CD1 3.83Å; N1135-I1183 HydrophobicContact CB-CG1 3.96Å; N1135-I1183 PolarHBondContact ND2-N 3.38Å
1136	I	95.1	Very high	91.5	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.6	-175	-60.6	172.1	0	0	0	110.4	F1100 A1129 L1130 C1134 I1158 Y1161	F1100-I1136 HydrophobicContact CB-CG1 4.25Å; F1100-I1136 HydrophobicContact CD1-CG1 4.08Å; F1100-I1136 HydrophobicContact CD1-CG2 4.2Å; F1100-I1136 HydrophobicContact CG-CG1 4.5Å; F1100-I1136 CarbonylContact O-C 3.5Å; F1100-I1136 VanDerWaalsContact O-CA 3.3Å; F1100-I1136 WeakPolarHBondContact O-CA 3.39Å; A1129-I1136 HydrophobicContact CB-CD1 3.95Å; A1129-I1136 HydrophobicContact CB-CG1 4.12Å; L1130-I1136 HydrophobicContact CD2-CD1 3.62Å; L1130-I1136 HydrophobicContact CG-CD1 3.74Å; C1134-I1136 PolarHBondContact O-N 3.22Å; C1134-I1136 VanDerWaalsContact O-N 3.12Å; I1136-I1158 HydrophobicContact CG2-CD1 3.55Å; I1136-Y1161 HydrophobicContact CB-CD1 4.02Å; I1136-Y1161 HydrophobicContact CB-CE1 3.84Å; I1136-Y1161 HydrophobicContact CG2-CD1 4.39Å; I1136-Y1161 WeakPolarHBondContact O-CD1 3.2Å
1137	I	95.9	Very high	91.1	Very high	3 Å²	3	44 Å²	44	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	102.6	177.2	-49.8	172.4	0	0	0	108.8	F1100 V1101 L1102 V1164 V1178 F1181 M1182	F1100-I1137 PolarHBondContact O-N 2.89Å; V1101-I1137 WeakPolarHBondContact CA-O 3.39Å; L1102-I1137 PolarHBondContact N-O 3.25Å; I1137-V1164 HydrophobicContact CG2-CG2 4.36Å; I1137-V1178 HydrophobicContact CD1-CG1 3.99Å; I1137-V1178 HydrophobicContact CG2-CG1 4.19Å; I1137-F1181 HydrophobicContact CD1-CB 3.98Å; I1137-F1181 HydrophobicContact CG1-CB 4.33Å; I1137-F1181 HydrophobicContact CG2-CB 4.49Å; I1137-F1181 HydrophobicContact CG2-CD2 4.41Å; I1137-M1182 HydrophobicContact CD1-CB 4.49Å; I1137-M1182 HydrophobicContact CD1-CG 3.68Å
1138	P	96.5	Very high	90.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	136.5	172.4	-15.1	29.6	0	0	0	111	L1102 L1104 W1145 I1158 A1163 V1164	L1102-P1138 WeakPolarHBondContact O-CA 3.41Å; L1104-P1138 HydrophobicContact CD1-CB 3.95Å; P1138-W1145 HydrophobicContact CB-CH2 4.44Å; P1138-W1145 HydrophobicContact CB-CZ2 4.48Å; P1138-I1158 HydrophobicContact CG-CD1 4.3Å; P1138-A1163 HydrophobicContact CB-CB 4.03Å; P1138-A1163 CarbonylContact O-C 3.59Å; P1138-A1163 VanDerWaalsContact O-CA 3.31Å; P1138-A1163 WeakPolarHBondContact O-CA 3.43Å; P1138-V1164 PolarHBondContact O-N 3.5Å
1139	I	96.7	Very high	90.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.4	171.2	-61	-179	0	0	0	108.1	L1063 V1101 L1102 L1104 V1164 W1166 V1178	L1063-I1139 HydrophobicContact CD1-CD1 3.81Å; L1063-I1139 HydrophobicContact CD2-CD1 3.75Å; L1063-I1139 HydrophobicContact CG-CD1 4.46Å; V1101-I1139 HydrophobicContact CG1-CD1 3.46Å; V1101-I1139 VanDerWaalsContact CG1-CD1 3.46Å; V1101-I1139 HydrophobicContact CG1-CG1 4.01Å; L1102-I1139 PolarHBondContact O-N 3.06Å; L1104-I1139 PolarHBondContact N-O 2.96Å; I1139-V1164 CarbonylContact C-O 3.5Å; I1139-V1164 VanDerWaalsContact CA-O 3.28Å; I1139-V1164 WeakPolarHBondContact CA-O 3.48Å; I1139-W1166 HydrophobicContact CG2-CB 4.04Å; I1139-V1178 HydrophobicContact CD1-CG2 3.67Å; I1139-V1178 HydrophobicContact CG1-CG2 4.08Å
1140	T	95.1	Very high	90.1	Very high	10 Å²	10	54.4 Å²	54.4	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.5	-177.6	55.3	0	0	0	0	111.7	L1104 F1143 W1145 A1163 V1164 N1165 W1166	L1104-T1140 HydrophobicContact CB-CG2 4.07Å; L1104-T1140 HydrophobicContact CD1-CG2 4.07Å; L1104-T1140 WeakPolarHBondContact O-CA 3.43Å; T1140-F1143 HydrophobicContact CG2-CB 4.44Å; T1140-F1143 HydrophobicContact CG2-CD1 4.01Å; T1140-W1145 HydrophobicContact CG2-CZ2 4.41Å; T1140-A1163 HydrophobicContact CG2-CB 4.09Å; T1140-V1164 PolarHBondContact N-O 3.27Å; T1140-N1165 PolarHBondContact O-OD1 3.31Å; T1140-N1165 WeakPolarHBondContact OG1-CA 3.31Å; T1140-N1165 PolarHBondContact OG1-OD1 3.08Å; T1140-N1165 VanDerWaalsContact OG1-OD1 3.07Å; T1140-W1166 PolarHBondContact O-N 3.37Å
1141	D	94.3	Very high	90	Very high	17 Å²	17	52.3 Å²	52.3	9%	0.091	29%	0.293	C	S	.	.	S	Bend	trans	-122.2	110.1	168.7	179.6	4.3	0	0	0	107.8	L1059 L1104 T1105 P1106 F1143 W1166 H1168	L1059-D1141 HydrophobicContact CD2-CB 3.64Å; L1104-D1141 PolarHBondContact O-N 3.18Å; T1105-D1141 HydrophobicContact CG2-CB 4.28Å; P1106-D1141 VanDerWaalsContact CD-O 3.28Å; P1106-D1141 WeakPolarHBondContact CD-O 3.5Å; D1141-F1143 PolarHBondContact O-N 2.85Å; D1141-W1166 HydrophobicContact CB-CB 4.29Å; D1141-H1168 IonicContact OD1-NE2 3.24Å; D1141-H1168 PolarHBondContact OD1-NE2 3.22Å; D1141-H1168 IonicContact OD2-CE1 2.72Å; D1141-H1168 PolarHBondContact OD2-CE1 2.95Å; D1141-H1168 IonicContact OD2-NE2 3.22Å; D1141-H1168 PolarHBondContact OD2-NE2 3.36Å
1142	N	90.1	Very high	89.9	Confident	129 Å²	129	46.5 Å²	46.5	69%	0.69	27%	0.267	S	S	*	.	S	Bend	trans	49.3	26.3	-178.6	-69.7	-81	0	0	0	115.1	P1106	P1106-N1142 HydrophobicContact CG-CB 4.01Å
1143	F	92.3	Very high	90	Very high	24 Å²	24	52.7 Å²	52.7	11%	0.105	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-95.4	131.7	-173.4	173.7	-102.8	0	0	0	113.1	L1104 T1105 A1108 L1109 T1140 D1141 W1145	L1104-F1143 HydrophobicContact CB-CB 4.22Å; L1104-F1143 HydrophobicContact CB-CD1 3.76Å; L1104-F1143 HydrophobicContact CB-CD2 4.37Å; L1104-F1143 HydrophobicContact CB-CE1 4.17Å; L1104-F1143 HydrophobicContact CB-CG 3.86Å; L1104-F1143 HydrophobicContact CD1-CD1 4.07Å; L1104-F1143 HydrophobicContact CD1-CE1 3.89Å; L1104-F1143 HydrophobicContact CD2-CE1 4.38Å; L1104-F1143 HydrophobicContact CD2-CZ 4.35Å; L1104-F1143 HydrophobicContact CG-CD1 4.42Å; L1104-F1143 HydrophobicContact CG-CE1 4.38Å; L1104-F1143 VanDerWaalsContact O-CB 3.22Å; L1104-F1143 WeakPolarHBondContact O-CB 3.27Å; T1105-F1143 VanDerWaalsContact O-CD2 3.22Å; T1105-F1143 WeakPolarHBondContact O-CD2 3.48Å; A1108-F1143 HydrophobicContact CB-CE2 4.5Å; L1109-F1143 HydrophobicContact CB-CZ 4.4Å; L1109-F1143 HydrophobicContact CD1-CZ 3.92Å; L1109-F1143 HydrophobicContact CG-CE2 4.41Å; L1109-F1143 HydrophobicContact CG-CZ 3.98Å; T1140-F1143 HydrophobicContact CG2-CB 4.44Å; T1140-F1143 HydrophobicContact CG2-CD1 4.01Å; D1141-F1143 PolarHBondContact O-N 2.85Å; F1143-W1145 HydrophobicContact CD1-CD2 4.43Å; F1143-W1145 AromaticContact CE1-CD2 3.77Å; F1143-W1145 HydrophobicContact CE1-CD2 3.77Å; F1143-W1145 AromaticContact CE1-CE3 3.82Å; F1143-W1145 HydrophobicContact CE1-CE3 3.82Å; F1143-W1145 HydrophobicContact CE1-CG 4.11Å; F1143-W1145 HydrophobicContact CE1-CZ3 4.29Å
1144	T	89.4	Confident	90.1	Very high	120 Å²	120	53.5 Å²	53.5	74%	0.736	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-96.7	121.7	171.9	52.7	0	0	0	0	110.6
1145	W	89.2	Confident	90.1	Very high	97 Å²	97	53.1 Å²	53.1	37%	0.367	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.1	173.9	-72.5	101	0	0	0	111.6	L1104 P1138 T1140 F1143 I1158 T1159 A1163	L1104-W1145 HydrophobicContact CD1-CH2 3.42Å; L1104-W1145 VanDerWaalsContact CD1-CH2 3.42Å; L1104-W1145 HydrophobicContact CD1-CZ2 3.7Å; L1104-W1145 HydrophobicContact CD1-CZ3 3.99Å; P1138-W1145 HydrophobicContact CB-CH2 4.44Å; P1138-W1145 HydrophobicContact CB-CZ2 4.48Å; T1140-W1145 HydrophobicContact CG2-CZ2 4.41Å; F1143-W1145 HydrophobicContact CD1-CD2 4.43Å; F1143-W1145 AromaticContact CE1-CD2 3.77Å; F1143-W1145 HydrophobicContact CE1-CD2 3.77Å; F1143-W1145 AromaticContact CE1-CE3 3.82Å; F1143-W1145 HydrophobicContact CE1-CE3 3.82Å; F1143-W1145 HydrophobicContact CE1-CG 4.11Å; F1143-W1145 HydrophobicContact CE1-CZ3 4.29Å; W1145-I1158 HydrophobicContact CZ3-CG2 4.24Å; W1145-T1159 HydrophobicContact CE3-CG2 3.97Å; W1145-T1159 HydrophobicContact CZ3-CG2 4.12Å; W1145-A1163 HydrophobicContact CZ2-CB 4.32Å
1146	P	86.7	Confident	89.9	Confident	34 Å²	34	55 Å²	55	22%	0.221	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-71.8	164.5	170.7	32	-35.7	0	0	0	111.1	L1109 L1113 A1148 L1151	L1109-P1146 HydrophobicContact CD1-CG 4.46Å; L1113-P1146 HydrophobicContact CD2-CB 3.79Å; L1113-P1146 HydrophobicContact CD2-CG 4.09Å; P1146-A1148 PolarHBondContact O-N 3.12Å; P1146-L1151 HydrophobicContact CG-CD1 4.08Å; P1146-L1151 HydrophobicContact CG-CD2 4.09Å; P1146-L1151 HydrophobicContact CG-CG 4.07Å
1147	L	83.8	Confident	89.5	Confident	137 Å²	137	56.8 Å²	56.8	72%	0.717	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-59.7	129.9	172.2	-68.2	171.4	0	0	0	109.8	E1149 S1150	L1147-E1149 PolarHBondContact O-N 3.14Å; L1147-E1149 VanDerWaalsContact O-N 3.11Å; L1147-S1150 WeakPolarHBondContact O-CB 3.49Å; L1147-S1150 PolarHBondContact O-N 2.97Å; L1147-S1150 PolarHBondContact O-OG 3.31Å
1148	A	83.3	Confident	89.2	Confident	40 Å²	40	56.7 Å²	56.7	33%	0.331	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-54.6	-35.2	-177.1	0	0	0	0	0	112.9	P1146 S1150 L1151 R1156	P1146-A1148 PolarHBondContact O-N 3.12Å; A1148-S1150 VanDerWaalsContact C-N 3.28Å; A1148-S1150 PolarHBondContact O-N 3.32Å; A1148-L1151 PolarHBondContact O-N 3.33Å; A1148-R1156 HydrophobicContact CB-CG 4.04Å; A1148-R1156 WeakPolarHBondContact O-CG 3.42Å; A1148-R1156 PolarHBondContact O-NE 3.46Å
1149	E	84	Confident	88.8	Confident	169 Å²	169	59 Å²	59	79%	0.79	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.6	176.2	-63.5	173.8	179.9	0	0	113.6	L1147 L1151 R1156	L1147-E1149 PolarHBondContact O-N 3.14Å; L1147-E1149 VanDerWaalsContact O-N 3.11Å; E1149-L1151 VanDerWaalsContact C-N 3.32Å; E1149-R1156 PolarHBondContact O-NH2 3.06Å
1150	S	86.2	Confident	88.4	Confident	35 Å²	35	64.5 Å²	64.5	25%	0.245	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-81.7	-9.1	179	69.2	0	0	0	0	114.2	N1114 L1147 A1148	N1114-S1150 PolarHBondContact N-O 2.81Å; L1147-S1150 WeakPolarHBondContact O-CB 3.49Å; L1147-S1150 PolarHBondContact O-N 2.97Å; L1147-S1150 PolarHBondContact O-OG 3.31Å; A1148-S1150 VanDerWaalsContact C-N 3.28Å; A1148-S1150 PolarHBondContact O-N 3.32Å
1151	L	87.7	Confident	88.2	Confident	2 Å²	2	68 Å²	68	1%	0.01	36%	0.357	C	S	.	.	S	Bend	trans	-88.7	144.4	168.2	-67.1	170.1	0	0	0	110.2	L1109 L1113 P1146 A1148 E1149 L1155 R1156 I1158 T1159	L1109-L1151 HydrophobicContact CD1-CD2 4.26Å; L1113-L1151 HydrophobicContact CD2-CD2 4Å; P1146-L1151 HydrophobicContact CG-CD1 4.08Å; P1146-L1151 HydrophobicContact CG-CD2 4.09Å; P1146-L1151 HydrophobicContact CG-CG 4.07Å; A1148-L1151 PolarHBondContact O-N 3.33Å; E1149-L1151 VanDerWaalsContact C-N 3.32Å; L1151-L1155 HydrophobicContact CD2-CD2 4.04Å; L1151-R1156 PolarHBondContact O-NH2 3.25Å; L1151-I1158 HydrophobicContact CD1-CG2 4.36Å; L1151-T1159 HydrophobicContact CD1-CG2 3.6Å
1152	P	88.3	Confident	88	Confident	13 Å²	13	73.4 Å²	73.4	8%	0.084	39%	0.386	C	S	.	.			trans	-48	148.4	165.1	-30.5	38.3	0	0	0	112.8	C1112 D1115 D1154 L1155 R1156	C1112-P1152 WeakPolarHBondContact O-CD 3.46Å; C1112-P1152 WeakPolarHBondContact O-CG 3.43Å; D1115-P1152 HydrophobicContact CB-CG 4.43Å; P1152-D1154 WeakPolarHBondContact CB-OD1 3.49Å; P1152-D1154 PolarHBondContact O-N 2.65Å; P1152-L1155 HydrophobicContact CB-CB 4.27Å; P1152-L1155 PolarHBondContact O-N 2.98Å; P1152-R1156 WeakPolarHBondContact O-CB 3.47Å; P1152-R1156 PolarHBondContact O-N 3.42Å
1153	E	86.4	Confident	88.1	Confident	159 Å²	159	68.9 Å²	68.9	74%	0.743	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-34.2	-167.8	-176.9	163.2	-146.2	0	0	113.7
1154	D	89.4	Confident	88.2	Confident	78 Å²	78	67.8 Å²	67.8	42%	0.417	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-46.5	168.9	48.1	-7	0	0	0	112.3	H1123 V1127 P1152 S1157	H1123-D1154 IonicContact CE1-OD1 3.54Å; H1123-D1154 IonicContact NE2-OD1 3.5Å; H1123-D1154 PolarHBondContact NE2-OD1 3.19Å; H1123-D1154 IonicContact NE2-OD2 2.7Å; V1127-D1154 HydrophobicContact CG2-CB 4.11Å; P1152-D1154 WeakPolarHBondContact CB-OD1 3.49Å; P1152-D1154 PolarHBondContact O-N 2.65Å; D1154-S1157 PolarHBondContact O-OG 3.2Å
1155	L	89.2	Confident	88.4	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-72.2	-28.9	178.6	-171.6	57.9	0	0	0	113.5	C1112 V1126 L1151 P1152 S1157 I1158	C1112-L1155 HydrophobicContact CB-CD2 3.56Å; V1126-L1155 HydrophobicContact CB-CD1 3.76Å; V1126-L1155 HydrophobicContact CG1-CD1 3.5Å; V1126-L1155 HydrophobicContact CG2-CD1 4.41Å; L1151-L1155 HydrophobicContact CD2-CD2 4.04Å; P1152-L1155 HydrophobicContact CB-CB 4.27Å; P1152-L1155 PolarHBondContact O-N 2.98Å; L1155-S1157 PolarHBondContact O-N 3.25Å; L1155-I1158 HydrophobicContact CD1-CG2 4.36Å; L1155-I1158 HydrophobicContact CG-CG2 4.42Å; L1155-I1158 WeakPolarHBondContact O-CB 3.42Å; L1155-I1158 WeakPolarHBondContact O-CG2 3.49Å; L1155-I1158 PolarHBondContact O-N 2.86Å
1156	R	88.2	Confident	88.7	Confident	81 Å²	81	62 Å²	62	31%	0.306	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-52.2	-31.7	-172.6	-173	173.9	-64.2	142.6	5.5	114.1	A1148 E1149 L1151 P1152 I1158 T1159	A1148-R1156 HydrophobicContact CB-CG 4.04Å; A1148-R1156 WeakPolarHBondContact O-CG 3.42Å; A1148-R1156 PolarHBondContact O-NE 3.46Å; E1149-R1156 PolarHBondContact O-NH2 3.06Å; L1151-R1156 PolarHBondContact O-NH2 3.25Å; P1152-R1156 WeakPolarHBondContact O-CB 3.47Å; P1152-R1156 PolarHBondContact O-N 3.42Å; R1156-I1158 PolarHBondContact O-N 3.26Å; R1156-I1158 VanDerWaalsContact O-N 3.11Å; R1156-T1159 PolarHBondContact O-N 2.84Å; R1156-T1159 PolarHBondContact O-OG1 3.46Å
1157	S	86.8	Confident	88.9	Confident	44 Å²	44	64 Å²	64	31%	0.308	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-53.1	-28.5	175.4	60.1	0	0	0	0	113.9	L1130 D1154 L1155 T1159 T1160 Y1161	L1130-S1157 VanDerWaalsContact CD1-OG 3.22Å; L1130-S1157 WeakPolarHBondContact CD1-OG 3.46Å; D1154-S1157 PolarHBondContact O-OG 3.2Å; L1155-S1157 PolarHBondContact O-N 3.25Å; S1157-T1159 PolarHBondContact O-N 3.44Å; S1157-T1159 VanDerWaalsContact O-N 3.13Å; S1157-T1160 PolarHBondContact O-N 2.84Å; S1157-T1160 PolarHBondContact O-OG1 2.9Å; S1157-Y1161 VanDerWaalsContact O-CD2 3.29Å; S1157-Y1161 WeakPolarHBondContact O-CD2 3.26Å; S1157-Y1161 WeakPolarHBondContact O-CE2 3.4Å
1158	I	89.9	Confident	89.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-60.1	-26.3	-179.1	-162.3	58.7	0	0	0	113.4	L1102 V1126 I1136 P1138 W1145 L1151 L1155 R1156 T1160 Y1161	L1102-I1158 HydrophobicContact CD2-CD1 3.78Å; L1102-I1158 HydrophobicContact CD2-CG1 3.72Å; V1126-I1158 HydrophobicContact CG1-CD1 4.21Å; V1126-I1158 HydrophobicContact CG1-CG1 4.44Å; I1136-I1158 HydrophobicContact CG2-CD1 3.55Å; P1138-I1158 HydrophobicContact CG-CD1 4.3Å; W1145-I1158 HydrophobicContact CZ3-CG2 4.24Å; L1151-I1158 HydrophobicContact CD1-CG2 4.36Å; L1155-I1158 HydrophobicContact CD1-CG2 4.36Å; L1155-I1158 HydrophobicContact CG-CG2 4.42Å; L1155-I1158 WeakPolarHBondContact O-CB 3.42Å; L1155-I1158 WeakPolarHBondContact O-CG2 3.49Å; L1155-I1158 PolarHBondContact O-N 2.86Å; R1156-I1158 PolarHBondContact O-N 3.26Å; R1156-I1158 VanDerWaalsContact O-N 3.11Å; I1158-T1160 PolarHBondContact O-N 3.33Å; I1158-Y1161 HydrophobicContact CD1-CD2 4.31Å; I1158-Y1161 PolarHBondContact O-N 3.2Å
1159	T	87.9	Confident	89.4	Confident	47 Å²	47	66.4 Å²	66.4	29%	0.288	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-73.9	-9.6	-177.8	65.8	0	0	0	0	113.8	W1145 L1151 R1156 S1157	W1145-T1159 HydrophobicContact CE3-CG2 3.97Å; W1145-T1159 HydrophobicContact CZ3-CG2 4.12Å; L1151-T1159 HydrophobicContact CD1-CG2 3.6Å; R1156-T1159 PolarHBondContact O-N 2.84Å; R1156-T1159 PolarHBondContact O-OG1 3.46Å; S1157-T1159 PolarHBondContact O-N 3.44Å; S1157-T1159 VanDerWaalsContact O-N 3.13Å
1160	T	88.5	Confident	89.8	Confident	117 Å²	117	65.8 Å²	65.8	72%	0.718	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-98.3	1.4	176.8	63.9	0	0	0	0	113.7	S1157 I1158	S1157-T1160 PolarHBondContact O-N 2.84Å; S1157-T1160 PolarHBondContact O-OG1 2.9Å; I1158-T1160 PolarHBondContact O-N 3.33Å
1161	Y	90.8	Very high	90	Very high	84 Å²	84	66.9 Å²	66.9	33%	0.329	34%	0.339	S	S	.	.	S	Bend	trans	-84.3	142.9	-179.9	-76.9	-103.4	0	0	0	112.1	L1130 I1136 S1157 I1158 A1163	L1130-Y1161 HydrophobicContact CD2-CE2 4.21Å; L1130-Y1161 WeakPolarHBondContact CD2-OH 3.33Å; I1136-Y1161 HydrophobicContact CB-CD1 4.02Å; I1136-Y1161 HydrophobicContact CB-CE1 3.84Å; I1136-Y1161 HydrophobicContact CG2-CD1 4.39Å; I1136-Y1161 WeakPolarHBondContact O-CD1 3.2Å; S1157-Y1161 VanDerWaalsContact O-CD2 3.29Å; S1157-Y1161 WeakPolarHBondContact O-CD2 3.26Å; S1157-Y1161 WeakPolarHBondContact O-CE2 3.4Å; I1158-Y1161 HydrophobicContact CD1-CD2 4.31Å; I1158-Y1161 PolarHBondContact O-N 3.2Å; Y1161-A1163 PolarHBondContact O-N 3.02Å
1162	N	90.3	Very high	90.1	Very high	129 Å²	129	71.2 Å²	71.2	69%	0.69	36%	0.359	S	S	*	.			trans	-69.7	101.9	177.8	-75.3	-39.3	0	0	0	111.2	F1181	N1162-F1181 HydrophobicContact CB-CE2 4.4Å
1163	A	91.6	Very high	90.2	Very high	34 Å²	34	73.6 Å²	73.6	28%	0.281	38%	0.38	S	S	.	.			trans	-75.2	145.7	177.2	0	0	0	0	0	113.1	P1138 T1140 W1145 Y1161	P1138-A1163 HydrophobicContact CB-CB 4.03Å; P1138-A1163 CarbonylContact O-C 3.59Å; P1138-A1163 VanDerWaalsContact O-CA 3.31Å; P1138-A1163 WeakPolarHBondContact O-CA 3.43Å; T1140-A1163 HydrophobicContact CG2-CB 4.09Å; W1145-A1163 HydrophobicContact CZ2-CB 4.32Å; Y1161-A1163 PolarHBondContact O-N 3.02Å
1164	V	94.3	Very high	90.5	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.8	164.3	-179.7	0	0	0	0	108.6	I1137 P1138 I1139 T1140 W1166 K1177 V1178 F1181	I1137-V1164 HydrophobicContact CG2-CG2 4.36Å; P1138-V1164 PolarHBondContact O-N 3.5Å; I1139-V1164 CarbonylContact C-O 3.5Å; I1139-V1164 VanDerWaalsContact CA-O 3.28Å; I1139-V1164 WeakPolarHBondContact CA-O 3.48Å; T1140-V1164 PolarHBondContact N-O 3.27Å; V1164-W1166 PolarHBondContact O-N 2.89Å; V1164-K1177 HydrophobicContact CG1-CB 4.42Å; V1164-K1177 HydrophobicContact CG1-CD 4.2Å; V1164-K1177 HydrophobicContact CG1-CG 4.35Å; V1164-K1177 HydrophobicContact CG2-CD 4.49Å; V1164-K1177 HydrophobicContact CG2-CG 4.15Å; V1164-V1178 HydrophobicContact CB-CG2 3.99Å; V1164-V1178 HydrophobicContact CG1-CG2 4.03Å; V1164-V1178 HydrophobicContact CG2-CG2 3.83Å; V1164-F1181 HydrophobicContact CG2-CD2 3.72Å; V1164-F1181 HydrophobicContact CG2-CE2 3.74Å
1165	N	93.9	Very high	90.8	Very high	89 Å²	89	62.7 Å²	62.7	48%	0.476	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122	171.6	-167.3	78.2	0	0	0	110.2	T1140	T1140-N1165 PolarHBondContact O-OD1 3.31Å; T1140-N1165 WeakPolarHBondContact OG1-CA 3.31Å; T1140-N1165 PolarHBondContact OG1-OD1 3.08Å; T1140-N1165 VanDerWaalsContact OG1-OD1 3.07Å
1166	W	95.2	Very high	90.9	Very high	7 Å²	7	65.7 Å²	65.7	3%	0.027	34%	0.343	C	S	.	.			trans	-74.5	140.6	176.4	-175.7	-104.2	0	0	0	110.8	L1059 L1062 L1063 I1139 T1140 D1141 V1164 H1168 Q1171 C1174 I1175	L1059-W1166 HydrophobicContact CD1-CD2 3.69Å; L1059-W1166 HydrophobicContact CD1-CE3 4.26Å; L1059-W1166 HydrophobicContact CD1-CG 3.95Å; L1059-W1166 HydrophobicContact CD1-CH2 4.5Å; L1059-W1166 HydrophobicContact CD1-CZ2 3.96Å; L1059-W1166 HydrophobicContact CD2-CB 4.49Å; L1059-W1166 HydrophobicContact CD2-CG 4.26Å; L1062-W1166 HydrophobicContact CD2-CH2 4.49Å; L1062-W1166 HydrophobicContact CD2-CZ2 3.76Å; L1062-W1166 HydrophobicContact CG-CZ2 4.39Å; L1063-W1166 HydrophobicContact CD2-CE3 4.36Å; L1063-W1166 HydrophobicContact CD2-CH2 4.5Å; L1063-W1166 HydrophobicContact CD2-CZ3 3.94Å; I1139-W1166 HydrophobicContact CG2-CB 4.04Å; T1140-W1166 PolarHBondContact O-N 3.37Å; D1141-W1166 HydrophobicContact CB-CB 4.29Å; V1164-W1166 PolarHBondContact O-N 2.89Å; W1166-H1168 AromaticContact CD1-CD2 3.95Å; W1166-H1168 AromaticContact CD1-CE1 3.41Å; W1166-H1168 VanDerWaalsContact CD1-CE1 3.41Å; W1166-H1168 AromaticContact CD1-CG 3.94Å; W1166-H1168 AromaticContact CD1-ND1 3.59Å; W1166-H1168 AromaticContact CD1-NE2 3.62Å; W1166-H1168 AromaticContact NE1-CE1 3.25Å; W1166-H1168 PolarHBondContact NE1-CE1 3.06Å; W1166-H1168 AromaticContact NE1-CG 3.61Å; W1166-H1168 AromaticContact NE1-ND1 3.01Å; W1166-H1168 PolarHBondContact NE1-ND1 3.28Å; W1166-H1168 AromaticContact NE1-NE2 3.87Å; W1166-Q1171 HydrophobicContact CH2-CB 3.69Å; W1166-Q1171 HydrophobicContact CH2-CG 4.01Å; W1166-Q1171 HydrophobicContact CZ2-CB 3.9Å; W1166-Q1171 HydrophobicContact CZ2-CG 3.66Å; W1166-C1174 HydrophobicContact CE3-CB 3.59Å; W1166-C1174 HydrophobicContact CZ3-CB 3.69Å; W1166-I1175 HydrophobicContact CH2-CD1 4.26Å; W1166-I1175 HydrophobicContact CZ3-CD1 3.87Å; W1166-I1175 HydrophobicContact CZ3-CG1 4.27Å
1167	I	92.3	Very high	91.1	Very high	75 Å²	75	66.8 Å²	66.8	39%	0.385	35%	0.35	S	S	.	.			trans	-135	116.4	173.3	-50.2	175.5	0	0	0	107.4	D1169 Y1170 C1174	I1167-D1169 PolarHBondContact O-N 3.35Å; I1167-D1169 VanDerWaalsContact O-N 3.16Å; I1167-Y1170 HydrophobicContact CB-CD2 4.37Å; I1167-Y1170 HydrophobicContact CG2-CD2 3.83Å; I1167-Y1170 CarbonylContact O-C 3.57Å; I1167-Y1170 PolarHBondContact O-N 3.14Å; I1167-C1174 PolarHBondContact N-SG 3.16Å
1168	H	88.5	Confident	91.5	Very high	89 Å²	89	64.8 Å²	64.8	41%	0.412	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.9	-170.5	-66.8	-77.5	0	0	0	114.2	D1141 W1166 Q1171	D1141-H1168 IonicContact OD1-NE2 3.24Å; D1141-H1168 PolarHBondContact OD1-NE2 3.22Å; D1141-H1168 IonicContact OD2-CE1 2.72Å; D1141-H1168 PolarHBondContact OD2-CE1 2.95Å; D1141-H1168 IonicContact OD2-NE2 3.22Å; D1141-H1168 PolarHBondContact OD2-NE2 3.36Å; W1166-H1168 AromaticContact CD1-CD2 3.95Å; W1166-H1168 AromaticContact CD1-CE1 3.41Å; W1166-H1168 VanDerWaalsContact CD1-CE1 3.41Å; W1166-H1168 AromaticContact CD1-CG 3.94Å; W1166-H1168 AromaticContact CD1-ND1 3.59Å; W1166-H1168 AromaticContact CD1-NE2 3.62Å; W1166-H1168 AromaticContact NE1-CE1 3.25Å; W1166-H1168 PolarHBondContact NE1-CE1 3.06Å; W1166-H1168 AromaticContact NE1-CG 3.61Å; W1166-H1168 AromaticContact NE1-ND1 3.01Å; W1166-H1168 PolarHBondContact NE1-ND1 3.28Å; W1166-H1168 AromaticContact NE1-NE2 3.87Å; H1168-Q1171 WeakPolarHBondContact O-CG 3.27Å; H1168-Q1171 PolarHBondContact O-NE2 3.49Å
1169	D	88.8	Confident	91.5	Very high	139 Å²	139	66.5 Å²	66.5	74%	0.743	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-19.6	176.1	-54.4	-43.3	0	0	0	113.6	I1167	I1167-D1169 PolarHBondContact O-N 3.35Å; I1167-D1169 VanDerWaalsContact O-N 3.16Å
1170	Y	91	Very high	91.6	Very high	156 Å²	156	72.4 Å²	72.4	61%	0.612	37%	0.366	S	S	*	.			trans	-123.9	43.1	-172.6	-60.3	-59.7	0	0	0	112.1	I1167 E1172 A1173 C1174	I1167-Y1170 HydrophobicContact CB-CD2 4.37Å; I1167-Y1170 HydrophobicContact CG2-CD2 3.83Å; I1167-Y1170 CarbonylContact O-C 3.57Å; I1167-Y1170 PolarHBondContact O-N 3.14Å; Y1170-E1172 PolarHBondContact O-N 2.95Å; Y1170-A1173 PolarHBondContact O-N 2.92Å; Y1170-C1174 PolarHBondContact O-N 2.77Å; Y1170-C1174 VanDerWaalsContact O-N 3.12Å; Y1170-C1174 PolarHBondContact O-SG 2.95Å
1171	Q	92	Very high	91.7	Very high	58 Å²	58	70.8 Å²	70.8	27%	0.271	35%	0.349	S	S	.	.	H	α-helix	trans	-54.5	-51.9	-171.4	-53.2	-170.2	13.2	0	0	112.8	H1066 W1166 H1168 A1173 C1174 I1175	H1066-Q1171 PolarHBondContact NE2-OE1 3.14Å; W1166-Q1171 HydrophobicContact CH2-CB 3.69Å; W1166-Q1171 HydrophobicContact CH2-CG 4.01Å; W1166-Q1171 HydrophobicContact CZ2-CB 3.9Å; W1166-Q1171 HydrophobicContact CZ2-CG 3.66Å; H1168-Q1171 WeakPolarHBondContact O-CG 3.27Å; H1168-Q1171 PolarHBondContact O-NE2 3.49Å; Q1171-A1173 PolarHBondContact O-N 3.3Å; Q1171-C1174 WeakPolarHBondContact O-CA 3.45Å; Q1171-C1174 VanDerWaalsContact O-CB 3.3Å; Q1171-C1174 WeakPolarHBondContact O-CB 3.39Å; Q1171-C1174 PolarHBondContact O-N 3.43Å; Q1171-I1175 WeakPolarHBondContact O-CG1 3.25Å; Q1171-I1175 PolarHBondContact O-N 2.9Å
1172	E	89.8	Confident	91.7	Very high	94 Å²	94	67.7 Å²	67.7	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-58.4	-46.1	-178.1	-62.4	-59.6	160.4	0	0	112.3	H1066 R1070 Y1170 C1174 I1175 D1176	H1066-E1172 IonicContact CE1-OE1 3.24Å; H1066-E1172 PolarHBondContact CE1-OE1 2.83Å; H1066-E1172 IonicContact ND1-OE1 2.74Å; R1070-E1172 IonicContact CZ-OE2 2.73Å; R1070-E1172 IonicContact NH1-OE2 3.48Å; R1070-E1172 PolarHBondContact NH1-OE2 2.67Å; R1070-E1172 IonicContact NH2-OE2 2.8Å; R1070-E1172 PolarHBondContact NH2-OE2 3Å; Y1170-E1172 PolarHBondContact O-N 2.95Å; E1172-C1174 PolarHBondContact O-N 3.24Å; E1172-I1175 PolarHBondContact O-N 2.7Å; E1172-D1176 VanDerWaalsContact O-CG 3.27Å; E1172-D1176 PolarHBondContact O-N 3.26Å
1173	A	90.1	Very high	91.4	Very high	62 Å²	62	66.1 Å²	66.1	51%	0.512	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-27.3	177.4	0	0	0	0	0	112.8	Y1170 Q1171 K1177	Y1170-A1173 PolarHBondContact O-N 2.92Å; Q1171-A1173 PolarHBondContact O-N 3.3Å; A1173-K1177 WeakPolarHBondContact O-CB 3.48Å; A1173-K1177 PolarHBondContact O-N 3Å
1174	C	93.1	Very high	90.5	Very high	9 Å²	9	69.5 Å²	69.5	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-71.3	-43.5	170.6	-61.3	0	0	0	0	111.3	W1166 I1167 Y1170 Q1171 E1172 K1177 V1178	W1166-C1174 HydrophobicContact CE3-CB 3.59Å; W1166-C1174 HydrophobicContact CZ3-CB 3.69Å; I1167-C1174 PolarHBondContact N-SG 3.16Å; Y1170-C1174 PolarHBondContact O-N 2.77Å; Y1170-C1174 VanDerWaalsContact O-N 3.12Å; Y1170-C1174 PolarHBondContact O-SG 2.95Å; Q1171-C1174 WeakPolarHBondContact O-CA 3.45Å; Q1171-C1174 VanDerWaalsContact O-CB 3.3Å; Q1171-C1174 WeakPolarHBondContact O-CB 3.39Å; Q1171-C1174 PolarHBondContact O-N 3.43Å; E1172-C1174 PolarHBondContact O-N 3.24Å; C1174-K1177 PolarHBondContact O-N 3.45Å; C1174-V1178 WeakPolarHBondContact O-CG2 3.46Å; C1174-V1178 PolarHBondContact O-N 2.77Å
1175	I	94.2	Very high	88.9	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-46.3	176.6	-57.3	-66.4	0	0	0	111	L1063 H1066 F1067 R1070 W1166 Q1171 E1172 K1177 V1178 E1179	L1063-I1175 HydrophobicContact CD2-CD1 3.63Å; H1066-I1175 HydrophobicContact CB-CD1 3.58Å; H1066-I1175 HydrophobicContact CB-CG1 3.78Å; F1067-I1175 HydrophobicContact CD1-CG2 4.12Å; F1067-I1175 HydrophobicContact CE1-CD1 4.37Å; F1067-I1175 HydrophobicContact CE1-CG2 3.87Å; F1067-I1175 HydrophobicContact CZ-CD1 4.36Å; R1070-I1175 VanDerWaalsContact CZ-CG2 3.45Å; W1166-I1175 HydrophobicContact CH2-CD1 4.26Å; W1166-I1175 HydrophobicContact CZ3-CD1 3.87Å; W1166-I1175 HydrophobicContact CZ3-CG1 4.27Å; Q1171-I1175 WeakPolarHBondContact O-CG1 3.25Å; Q1171-I1175 PolarHBondContact O-N 2.9Å; E1172-I1175 PolarHBondContact O-N 2.7Å; I1175-K1177 PolarHBondContact O-N 3.34Å; I1175-V1178 CarbonylContact O-C 3.6Å; I1175-V1178 WeakPolarHBondContact O-CA 3.23Å; I1175-V1178 WeakPolarHBondContact O-CB 3.41Å; I1175-V1178 PolarHBondContact O-N 3.19Å; I1175-E1179 WeakPolarHBondContact O-CB 3.29Å; I1175-E1179 PolarHBondContact O-N 2.94Å
1176	D	92.2	Very high	87	Confident	64 Å²	64	74.2 Å²	74.2	34%	0.342	36%	0.361	S	S	.	.	H	α-helix	trans	-58.9	-30.6	176.8	-66.1	-18.4	0	0	0	112.2	R1070 E1172 K1180	R1070-D1176 IonicContact CZ-OD1 3.67Å; R1070-D1176 IonicContact NE-OD1 2.77Å; R1070-D1176 IonicContact NH2-OD1 2.77Å; R1070-D1176 PolarHBondContact NH2-OD1 2.67Å; E1172-D1176 VanDerWaalsContact O-CG 3.27Å; E1172-D1176 PolarHBondContact O-N 3.26Å; D1176-K1180 WeakPolarHBondContact O-CD 3.37Å; D1176-K1180 VanDerWaalsContact O-CG 3.25Å; D1176-K1180 WeakPolarHBondContact O-CG 3.42Å; D1176-K1180 PolarHBondContact O-N 3.42Å
1177	K	92.8	Very high	84.6	Confident	103 Å²	103	79.3 Å²	79.3	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-76.1	-36.7	174.6	-173.6	174.1	173.7	-176.7	0	112.4	V1164 A1173 C1174 I1175	V1164-K1177 HydrophobicContact CG1-CB 4.42Å; V1164-K1177 HydrophobicContact CG1-CD 4.2Å; V1164-K1177 HydrophobicContact CG1-CG 4.35Å; V1164-K1177 HydrophobicContact CG2-CD 4.49Å; V1164-K1177 HydrophobicContact CG2-CG 4.15Å; A1173-K1177 WeakPolarHBondContact O-CB 3.48Å; A1173-K1177 PolarHBondContact O-N 3Å; C1174-K1177 PolarHBondContact O-N 3.45Å; I1175-K1177 PolarHBondContact O-N 3.34Å
1178	V	93.7	Very high	82.1	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.012	39%	0.389	C	S	.	.	H	α-helix	trans	-65	-42.9	170.3	175.6	0	0	0	0	110.6	F1067 V1101 I1137 I1139 V1164 C1174 I1175 K1180 F1181 M1182	F1067-V1178 HydrophobicContact CE1-CB 4.47Å; F1067-V1178 HydrophobicContact CE1-CG1 4.05Å; F1067-V1178 HydrophobicContact CZ-CB 4.32Å; F1067-V1178 HydrophobicContact CZ-CG1 3.71Å; V1101-V1178 HydrophobicContact CG2-CG1 4.49Å; I1137-V1178 HydrophobicContact CD1-CG1 3.99Å; I1137-V1178 HydrophobicContact CG2-CG1 4.19Å; I1139-V1178 HydrophobicContact CD1-CG2 3.67Å; I1139-V1178 HydrophobicContact CG1-CG2 4.08Å; V1164-V1178 HydrophobicContact CB-CG2 3.99Å; V1164-V1178 HydrophobicContact CG1-CG2 4.03Å; V1164-V1178 HydrophobicContact CG2-CG2 3.83Å; C1174-V1178 WeakPolarHBondContact O-CG2 3.46Å; C1174-V1178 PolarHBondContact O-N 2.77Å; I1175-V1178 CarbonylContact O-C 3.6Å; I1175-V1178 WeakPolarHBondContact O-CA 3.23Å; I1175-V1178 WeakPolarHBondContact O-CB 3.41Å; I1175-V1178 PolarHBondContact O-N 3.19Å; V1178-K1180 VanDerWaalsContact C-N 3.29Å; V1178-K1180 PolarHBondContact O-N 2.84Å; V1178-F1181 CarbonylContact O-C 3.57Å; V1178-F1181 WeakPolarHBondContact O-CA 3.44Å; V1178-F1181 WeakPolarHBondContact O-CB 3.2Å; V1178-F1181 PolarHBondContact O-N 3.38Å; V1178-M1182 HydrophobicContact CG1-CG 4.42Å; V1178-M1182 HydrophobicContact CG1-SD 4.49Å; V1178-M1182 PolarHBondContact O-N 2.92Å; V1178-M1182 VanDerWaalsContact O-N 3.09Å
1179	E	91	Very high	79.8	Confident	38 Å²	38	79.4 Å²	79.4	18%	0.178	41%	0.405	C	S	.	.	H	α-helix	trans	-64	-33.3	-179.4	-167.4	176.9	162.4	0	0	112.5	R1070 Y1072 I1175 F1181 M1182 K1184	R1070-E1179 WeakPolarHBondContact CD-OE2 3.4Å; R1070-E1179 IonicContact NE-OE2 3.69Å; R1070-E1179 PolarHBondContact NE-OE2 3.24Å; Y1072-E1179 HydrophobicContact CE2-CG 4.33Å; Y1072-E1179 PolarHBondContact OH-OE1 3.27Å; I1175-E1179 WeakPolarHBondContact O-CB 3.29Å; I1175-E1179 PolarHBondContact O-N 2.94Å; E1179-F1181 PolarHBondContact O-N 2.92Å; E1179-M1182 PolarHBondContact O-N 3.14Å; E1179-K1184 WeakPolarHBondContact OE1-CE 3.2Å; E1179-K1184 IonicContact OE1-NZ 3.12Å; E1179-K1184 PolarHBondContact OE1-NZ 3.09Å
1180	K	90.4	Very high	77.4	Confident	170 Å²	170	77.4 Å²	77.4	74%	0.739	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.8	170.1	-75.4	163.6	-172.8	164.9	0	114	D1176 V1178	D1176-K1180 WeakPolarHBondContact O-CD 3.37Å; D1176-K1180 VanDerWaalsContact O-CG 3.25Å; D1176-K1180 WeakPolarHBondContact O-CG 3.42Å; D1176-K1180 PolarHBondContact O-N 3.42Å; V1178-K1180 VanDerWaalsContact C-N 3.29Å; V1178-K1180 PolarHBondContact O-N 2.84Å
1181	F	90.4	Very high	75.1	Confident	84 Å²	84	74.3 Å²	74.3	37%	0.368	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-4.7	173.2	-64.8	-22.9	0	0	0	113	N1135 I1137 N1162 V1164 V1178 E1179	N1135-F1181 PolarHBondContact ND2-O 3.38Å; I1137-F1181 HydrophobicContact CD1-CB 3.98Å; I1137-F1181 HydrophobicContact CG1-CB 4.33Å; I1137-F1181 HydrophobicContact CG2-CB 4.49Å; I1137-F1181 HydrophobicContact CG2-CD2 4.41Å; N1162-F1181 HydrophobicContact CB-CE2 4.4Å; V1164-F1181 HydrophobicContact CG2-CD2 3.72Å; V1164-F1181 HydrophobicContact CG2-CE2 3.74Å; V1178-F1181 CarbonylContact O-C 3.57Å; V1178-F1181 WeakPolarHBondContact O-CA 3.44Å; V1178-F1181 WeakPolarHBondContact O-CB 3.2Å; V1178-F1181 PolarHBondContact O-N 3.38Å; E1179-F1181 PolarHBondContact O-N 2.92Å
1182	M	90.8	Very high	72.4	Confident	18 Å²	18	75.5 Å²	75.5	9%	0.089	41%	0.406	C	S	.	.	S	Bend	trans	-80.9	140.2	178.9	-77.3	175.3	53.1	0	0	113	I1047 F1067 Y1072 N1099 I1137 V1178 E1179 K1184	I1047-M1182 HydrophobicContact CD1-CE 3.61Å; I1047-M1182 HydrophobicContact CD1-SD 3.74Å; I1047-M1182 HydrophobicContact CG1-CE 3.64Å; I1047-M1182 HydrophobicContact CG1-SD 4.22Å; F1067-M1182 HydrophobicContact CE1-SD 4.29Å; Y1072-M1182 HydrophobicContact CD1-CE 3.79Å; Y1072-M1182 HydrophobicContact CD2-CE 4.37Å; Y1072-M1182 HydrophobicContact CE1-CE 3.66Å; Y1072-M1182 HydrophobicContact CE2-CE 4.26Å; Y1072-M1182 HydrophobicContact CG-CE 4.16Å; N1099-M1182 HydrophobicContact CB-CG 4.39Å; N1099-M1182 WeakPolarHBondContact OD1-CA 3.3Å; I1137-M1182 HydrophobicContact CD1-CB 4.49Å; I1137-M1182 HydrophobicContact CD1-CG 3.68Å; V1178-M1182 HydrophobicContact CG1-CG 4.42Å; V1178-M1182 HydrophobicContact CG1-SD 4.49Å; V1178-M1182 PolarHBondContact O-N 2.92Å; V1178-M1182 VanDerWaalsContact O-N 3.09Å; E1179-M1182 PolarHBondContact O-N 3.14Å; M1182-K1184 PolarHBondContact O-N 2.97Å
1183	I	82.5	Confident	69.8	Low	96 Å²	96	75.4 Å²	75.4	49%	0.492	42%	0.415	S	S	.	.			trans	-77.6	112	161.2	-59.4	-178.3	0	0	0	107.4	N1099 N1135	N1099-I1183 PolarHBondContact ND2-O 2.86Å; N1099-I1183 PolarHBondContact OD1-N 3.47Å; N1135-I1183 HydrophobicContact CB-CD1 3.83Å; N1135-I1183 HydrophobicContact CB-CG1 3.96Å; N1135-I1183 PolarHBondContact ND2-N 3.38Å
1184	K	74.3	Confident	67.4	Low	106 Å²	106	77 Å²	77	46%	0.461	42%	0.422	S	S	.	.			trans	-86.5	127.5	173.5	-59	-172.7	178.8	-163.2	0	109.5	Y1072 E1179 M1182	Y1072-K1184 WeakPolarHBondContact OH-CE 3.23Å; Y1072-K1184 PolarHBondContact OH-NZ 3.04Å; E1179-K1184 WeakPolarHBondContact OE1-CE 3.2Å; E1179-K1184 IonicContact OE1-NZ 3.12Å; E1179-K1184 PolarHBondContact OE1-NZ 3.09Å; M1182-K1184 PolarHBondContact O-N 2.97Å
1185	P	59.6	Low	64.6	Low	12 Å²	12	83 Å²	83	8%	0.078	45%	0.449	C	S	.	.			trans	-69.5	142.3	175.4	27.1	-30.7	0	0	0	110.9	Y1098 T1187 S1188	Y1098-P1185 HydrophobicContact CD2-CB 4.25Å; Y1098-P1185 HydrophobicContact CD2-CG 4.19Å; Y1098-P1185 HydrophobicContact CE1-CB 4.19Å; Y1098-P1185 HydrophobicContact CE2-CB 3.78Å; Y1098-P1185 HydrophobicContact CE2-CG 4.07Å; P1185-T1187 PolarHBondContact O-N 2.95Å; P1185-S1188 PolarHBondContact O-N 3.42Å; P1185-S1188 VanDerWaalsContact O-N 3.12Å; P1185-S1188 PolarHBondContact O-OG 2.97Å; P1185-S1188 VanDerWaalsContact O-OG 3.14Å
1186	I	53.6	Low	61.8	Low	177 Å²	177	86.2 Å²	86.2	91%	0.908	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23	-172	-61.1	170.9	0	0	0	112.6
1187	T	45.1	Very low	58.9	Low	114 Å²	114	91.2 Å²	91.2	70%	0.699	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-0.9	-176	49.8	0	0	0	0	115.2	P1185 T1189	P1185-T1187 PolarHBondContact O-N 2.95Å; T1187-T1189 PolarHBondContact O-N 3.33Å
1188	S	40.3	Very low	56	Low	44 Å²	44	91.6 Å²	91.6	31%	0.308	50%	0.497	S	S	.	.			trans	-88.2	83.2	176.5	65.3	0	0	0	0	112.1	P1185	P1185-S1188 PolarHBondContact O-N 3.42Å; P1185-S1188 VanDerWaalsContact O-N 3.12Å; P1185-S1188 PolarHBondContact O-OG 2.97Å; P1185-S1188 VanDerWaalsContact O-OG 3.14Å
1189	T	41	Very low	52.9	Low	122 Å²	122	100.8 Å²	100.8	75%	0.748	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-61.7	133.8	143.8	39	0	0	0	0	107.8	T1187 L1191	T1187-T1189 PolarHBondContact O-N 3.33Å; T1189-L1191 PolarHBondContact O-N 2.95Å
1190	P	38.6	Very low	49.8	Very low	97 Å²	97	107.8 Å²	107.8	63%	0.63	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-62.6	135.8	-179.7	25.4	-33.3	0	0	0	109.7
1191	L	41.3	Very low	46.7	Very low	90 Å²	90	111.3 Å²	111.3	47%	0.471	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-60.3	134.1	177	-72.6	167.9	0	0	0	109.5	T1189 C1193	T1189-L1191 PolarHBondContact O-N 2.95Å; L1191-C1193 PolarHBondContact O-N 2.68Å
1192	P	36.6	Very low	44.6	Very low	84 Å²	84	112.7 Å²	112.7	55%	0.545	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-61.3	141	176.2	26.1	-33.7	0	0	0	110	S1194 Q1195	P1192-S1194 PolarHBondContact O-N 3.26Å; P1192-Q1195 PolarHBondContact O-N 2.72Å
1193	C	35.6	Very low	42.1	Very low	91 Å²	91	117.7 Å²	117.7	62%	0.615	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-56.6	-15.8	-173	-73.3	0	0	0	0	114.6	L1191 Q1195 I1196	L1191-C1193 PolarHBondContact O-N 2.68Å; C1193-Q1195 PolarHBondContact O-N 2.67Å; C1193-Q1195 VanDerWaalsContact O-N 3.11Å; C1193-I1196 HydrophobicContact CB-CD1 4.47Å; C1193-I1196 PolarHBondContact O-N 2.67Å
1194	S	37.8	Very low	39.9	Very low	97 Å²	97	118.9 Å²	118.9	68%	0.678	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-61.4	-10.8	174.7	51.4	0	0	0	0	115.4	P1192	P1192-S1194 PolarHBondContact O-N 3.26Å
1195	Q	34.8	Very low	37.8	Very low	133 Å²	133	119.6 Å²	119.6	62%	0.621	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-98.6	-4.6	171.2	-67.8	-166.9	-12.1	0	0	114.4	P1192 C1193 K1197	P1192-Q1195 PolarHBondContact O-N 2.72Å; C1193-Q1195 PolarHBondContact O-N 2.67Å; C1193-Q1195 VanDerWaalsContact O-N 3.11Å; Q1195-K1197 PolarHBondContact O-N 2.66Å; Q1195-K1197 VanDerWaalsContact O-N 3.11Å
1196	I	36.8	Very low	36.5	Very low	68 Å²	68	126.4 Å²	126.4	35%	0.349	68%	0.676	S	S	.	*			trans	-78.8	96.9	172.9	-55.2	177.6	0	0	0	107.7	H1068 C1193	H1068-I1196 WeakPolarHBondContact O-CD1 3.44Å; C1193-I1196 HydrophobicContact CB-CD1 4.47Å; C1193-I1196 PolarHBondContact O-N 2.67Å
1197	K	31.2	Very low	35.4	Very low	169 Å²	169	123 Å²	123	74%	0.735	66%	0.66	S	S	*	*			trans	-57.6	133.1	167	-73	-161.8	173	-158.2	0	109.1	Q1195 F1199	Q1195-K1197 PolarHBondContact O-N 2.66Å; Q1195-K1197 VanDerWaalsContact O-N 3.11Å; K1197-F1199 PolarHBondContact O-N 2.61Å
1198	P	31.5	Very low	34.7	Very low	111 Å²	111	123.6 Å²	123.6	72%	0.721	66%	0.658	S	S	*	*			trans	-54.6	133.7	165.2	-22.4	33.3	0	0	0	109.5	E1200	P1198-E1200 VanDerWaalsContact C-N 3.3Å; P1198-E1200 PolarHBondContact O-N 3.27Å; P1198-E1200 VanDerWaalsContact O-N 3.1Å
1199	F	28.9	Very low	34.2	Very low	196 Å²	196	129.8 Å²	129.8	86%	0.86	69%	0.685	S	S	*	*			trans	-77.3	89.4	162.6	-106.5	-88.5	0	0	0	107.1	K1197 K1201	K1197-F1199 PolarHBondContact O-N 2.61Å; F1199-K1201 PolarHBondContact O-N 3.43Å; F1199-K1201 VanDerWaalsContact O-N 3.14Å
1200	E	24.9	Very low	33.7	Very low	184 Å²	184	130.4 Å²	130.4	86%	0.86	68%	0.679	S	S	*	*			trans	-64.4	110	171	-70.9	-175.9	119.2	0	0	109.8	P1198	P1198-E1200 VanDerWaalsContact C-N 3.3Å; P1198-E1200 PolarHBondContact O-N 3.27Å; P1198-E1200 VanDerWaalsContact O-N 3.1Å
1201	K	26.1	Very low	33.2	Very low	245 Å²	245	133.5 Å²	133.5	100%	1.065	68%	0.684	S	S	*	*			trans	-163.9	0	163.3	-119.3	-175.9	-178.3	-174	0	112	F1199	F1199-K1201 PolarHBondContact O-N 3.43Å; F1199-K1201 VanDerWaalsContact O-N 3.14Å

Retrieved 1,201 of 1,201 residues in 413.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).