A0A077ZBL4_TRITR Loading...

DNA repair protein REV1

Deoxycytidyl transferase involved in DNA repair. Transfers a dCMP residue from dCTP to the 3'-end of a DNA primer in a template-dependent reaction. May assist in the first step in the bypass of abasic lesions by the insertion of a nucleotide opposite the lesion. Required for normal induction of mutations by physical and chemical agents.

AlphaFold DB , UniProt , Accession A0A077ZBL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 897 aa.

						>A0A077ZBL4_TRITR|A0A077ZBL4
MFKSANSSLPNVAPIALSANKNNSCQEPPKFPRSRSAEDGNWKGWGEYMECKKSKLSAQFQKEASEYKDTKTIFKGISVYVNGYTEPPAAQLKRLILKHGGEYHIYRTSKTTHVIAANLAYAKVAKLKESDKVMRPEWITESVKAGCLLPERLYRLYSSCKPGSKLDDPGGMRKFVIPVENRSNEEPALPRQKTANVAVTSDPNFLQEFYDHSRLHFISTLAQELKSYVLNMRQTKKDRSGDRKRMQDSIESNRQGSSSDMGVSKFHPDDPFIAHLDLDCFFVSVSLQKYPELRGLPVVVAHSRGKGRVKDGHVSSWSEIASCNYEARSFGIRNGMLLGDAQKLCPSLKSLPYDFNRCKEVSTTFFSLVSRYTADIEAISCDEMYLNLKELCSSIDASSSEVISYLRREIYSTTGCSASAGIGPNKLVARLATRMAKPNGQYVVTSKQVSHFMEAISVGDLPGVGYSTLKKLKDLKVATCGDLVRLDLPTLVQRFGKKIGETLYAKARGIDSAPVQMEATKKSLSCDVNYGVRLKDWDETVEFVKKLSHEVSERMHRQSVEGRTFTLKLMIRAPEASVETMKFLGHGICDSVCKSVTIGTHTSSEPVIARTVVSLLRSLQPQPTDIRGVGEGYGRLKATSADLNNAPRVEEENTVTDVTVSNLGNAAPLEEKERASGSTASNFRSKQLQCEADKEVLDALPESIREKLTHLLAADGTAKRKRPQQQQLSEPPEEVAETESESSEPNTQCSLLIPEPSQIDQQVLEELPESIRKKIVRQIEQKRAKALDDRTPRLEFPFSSFDVYERFDPDEFKAVKQAVTSWIQSTTLPPPPDVFRVASFIVRLIYTKYLEMARNMMVYLREAMRKNPILKLPVETALESIQEIMVEEYGAPMAIDN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	32.3	Very low	237 Å²	237	153 Å²	153	100%	1.167	86%	0.859	S	S	*	*				0	124.1	0	-61.1	162.4	178.6	0	0	107.1
2	F	31.2	Very low	32.5	Very low	204 Å²	204	152.3 Å²	152.3	90%	0.895	86%	0.86	S	S	*	*			cis	-126.5	154.7	-15.4	-109.9	-95.6	0	0	0	107.8
3	K	26.3	Very low	32.4	Very low	205 Å²	205	146.7 Å²	146.7	89%	0.891	85%	0.845	S	S	*	*			trans	-137	158.9	171.4	-95.8	-170.2	176.2	-177.7	0	109
4	S	31.5	Very low	32.3	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	84%	0.844	S	S	*	*			trans	76	111.8	176	-160.5	0	0	0	0	116.7
5	A	39	Very low	32.3	Very low	101 Å²	101	146.1 Å²	146.1	84%	0.835	84%	0.841	S	S	*	*			trans	-150.7	119.1	147.9	0	0	0	0	0	106.9
6	N	29.5	Very low	32.1	Very low	166 Å²	166	143.2 Å²	143.2	89%	0.888	84%	0.84	S	S	*	*			trans	-123.2	122.3	-175.7	-113.1	-6.2	0	0	0	109.6
7	S	35.4	Very low	32	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	84%	0.841	S	S	*	*			trans	-160.3	102.3	168.2	55.1	0	0	0	0	108.3
8	S	32.4	Very low	32	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	84%	0.837	S	S	*	*				79.3	146.1	64.7	74.6	0	0	0	0	113.9
9	L	34.2	Very low	31.9	Very low	163 Å²	163	140.2 Å²	140.2	85%	0.853	84%	0.835	S	S	*	*			trans	91.6	142.4	-173.9	-54.4	173.1	0	0	0	114.3
10	P	32.3	Very low	32	Very low	114 Å²	114	140.8 Å²	140.8	74%	0.74	83%	0.834	S	S	*	*				-133.8	176.9	-76.9	27.5	-6.1	0	0	0	114.9
11	N	31.4	Very low	32	Very low	164 Å²	164	142.3 Å²	142.3	88%	0.877	83%	0.83	S	S	*	*			trans	-57.6	143.8	178.5	-71.2	-34.5	0	0	0	114.4
12	V	34.8	Very low	32	Very low	144 Å²	144	138.5 Å²	138.5	87%	0.873	82%	0.815	S	S	*	*			trans	-113.8	115.2	156.8	179	0	0	0	0	107.8
13	A	32	Very low	32.1	Very low	80 Å²	80	137 Å²	137	66%	0.661	82%	0.816	S	S	*	*			trans	-81.2	150.3	-178.5	0	0	0	0	0	112.1
14	P	31.1	Very low	32.2	Very low	128 Å²	128	132.1 Å²	132.1	83%	0.831	81%	0.808	S	S	*	*			trans	-73.8	130.4	177.8	30	-34	0	0	0	111.5	A16	P14-A16 PolarHBondContact O-N 2.65Å
15	I	31.6	Very low	31.9	Very low	157 Å²	157	132 Å²	132	81%	0.805	81%	0.805	S	S	*	*			trans	-79.5	101.3	174.7	-60.4	176.9	0	0	0	109.2	L17	I15-L17 HydrophobicContact CG2-CG 4.3Å
16	A	29.3	Very low	31.5	Very low	99 Å²	99	136.4 Å²	136.4	82%	0.818	81%	0.809	S	S	*	*			trans	-82.1	113.8	164.5	0	0	0	0	0	109.5	P14	P14-A16 PolarHBondContact O-N 2.65Å
17	L	30.9	Very low	31.5	Very low	165 Å²	165	135.2 Å²	135.2	86%	0.864	80%	0.798	S	S	*	*			trans	-89.9	115.5	174.7	-98.1	164.5	0	0	0	110.6	I15 A19	I15-L17 HydrophobicContact CG2-CG 4.3Å; L17-A19 PolarHBondContact O-N 2.78Å
18	S	30.9	Very low	31.3	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	80%	0.797	S	S	*	*			trans	-65.4	125.5	178.9	-178.4	0	0	0	0	111.9	N20	S18-N20 PolarHBondContact O-N 3.42Å; S18-N20 VanDerWaalsContact O-N 3.1Å
19	A	31.6	Very low	31.3	Very low	97 Å²	97	135.5 Å²	135.5	80%	0.802	80%	0.795	S	S	*	*			trans	-79.9	85	170.4	0	0	0	0	0	109.9	L17 K21	L17-A19 PolarHBondContact O-N 2.78Å; A19-K21 PolarHBondContact O-N 3.16Å
20	N	33.8	Very low	31.3	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	79%	0.787	S	S	*	*			trans	-63.3	128.6	179.1	-165.1	19.5	0	0	0	111	S18	S18-N20 PolarHBondContact O-N 3.42Å; S18-N20 VanDerWaalsContact O-N 3.1Å
21	K	31.5	Very low	31.4	Very low	172 Å²	172	137.9 Å²	137.9	75%	0.748	79%	0.787	S	S	*	*			trans	-81.6	165.1	174.3	-71.7	-179	177.7	177.5	0	110.2	A19	A19-K21 PolarHBondContact O-N 3.16Å
22	N	31.7	Very low	31.6	Very low	157 Å²	157	135.7 Å²	135.7	84%	0.84	78%	0.782	S	S	*	*			trans	73.5	85.2	176.3	-50.6	-11.9	0	0	0	115.2
23	N	33.5	Very low	31.4	Very low	174 Å²	174	139.7 Å²	139.7	93%	0.93	78%	0.781	S	S	*	*			trans	-146.2	147.9	130.3	-119.4	-24.4	0	0	0	109.9
24	S	28.9	Very low	31.4	Very low	101 Å²	101	139.4 Å²	139.4	71%	0.706	77%	0.774	S	S	*	*			trans	-104.4	161.3	-162.5	52.8	0	0	0	0	114.2
25	C	24.8	Very low	31.6	Very low	116 Å²	116	145.4 Å²	145.4	78%	0.784	78%	0.78	S	S	*	*			trans	59.2	104.9	159	-61.1	0	0	0	0	118.6
26	Q	29.4	Very low	31.8	Very low	194 Å²	194	141.5 Å²	141.5	91%	0.907	77%	0.767	S	S	*	*				-165.6	139.6	110	-101.2	165.1	24.1	0	0	110.2
27	E	29.6	Very low	32.3	Very low	141 Å²	141	140.2 Å²	140.2	66%	0.659	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.9	148.8	174.5	-73.8	-169.1	132.6	0	0	111.2	K30	E27-K30 IonicContact OE1-NZ 2.78Å; E27-K30 PolarHBondContact OE1-NZ 3.08Å; E27-K30 IonicContact OE2-NZ 2.65Å; E27-K30 PolarHBondContact OE2-NZ 2.97Å
28	P	31.3	Very low	32.6	Very low	111 Å²	111	140.9 Å²	140.9	72%	0.721	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-63.4	142.7	164.2	29.3	-34.1	0	0	0	110.1	K30	P28-K30 PolarHBondContact O-N 3.15Å
29	P	33.6	Very low	33	Very low	106 Å²	106	141.8 Å²	141.8	69%	0.688	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64	122.2	-174.1	24.7	-34	0	0	0	111.7	F31	P29-F31 HydrophobicContact CG-CE2 4.39Å; P29-F31 WeakPolarHBondContact O-CD2 3.49Å; P29-F31 PolarHBondContact O-N 3.38Å; P29-F31 VanDerWaalsContact O-N 3.09Å
30	K	34	Very low	33.4	Very low	160 Å²	160	141.5 Å²	141.5	70%	0.696	76%	0.758	S	S	*	*			trans	-67.3	103.1	172.5	-72.7	162.4	179.6	145.8	0	108.9	E27 P28	E27-K30 IonicContact OE1-NZ 2.78Å; E27-K30 PolarHBondContact OE1-NZ 3.08Å; E27-K30 IonicContact OE2-NZ 2.65Å; E27-K30 PolarHBondContact OE2-NZ 2.97Å; P28-K30 PolarHBondContact O-N 3.15Å
31	F	33.4	Very low	33.8	Very low	167 Å²	167	139.8 Å²	139.8	73%	0.732	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-64.6	143.9	175.8	-81.7	-93.2	0	0	0	110.9	P29 R33	P29-F31 HydrophobicContact CG-CE2 4.39Å; P29-F31 WeakPolarHBondContact O-CD2 3.49Å; P29-F31 PolarHBondContact O-N 3.38Å; P29-F31 VanDerWaalsContact O-N 3.09Å; F31-R33 PolarHBondContact O-N 3Å
32	P	36.4	Very low	34.4	Very low	118 Å²	118	140.8 Å²	140.8	77%	0.766	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-64.3	131.5	178.3	27	-34.1	0	0	0	110.2	S34	P32-S34 PolarHBondContact O-N 2.95Å
33	R	29.2	Very low	35.2	Very low	228 Å²	228	140.1 Å²	140.1	86%	0.86	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-59.1	124.3	171	-69.1	-178.4	178.3	176.2	-1	108.9	F31 R35	F31-R33 PolarHBondContact O-N 3Å; R33-R35 PolarHBondContact O-N 3.44Å
34	S	33.5	Very low	36.7	Very low	74 Å²	74	132.6 Å²	132.6	52%	0.517	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-64.6	130	167.1	44.2	0	0	0	0	108.9	P32 S36 A37	P32-S34 PolarHBondContact O-N 2.95Å; S34-S36 PolarHBondContact O-N 2.65Å; S34-A37 WeakPolarHBondContact O-CB 3.39Å; S34-A37 PolarHBondContact O-N 2.95Å
35	R	35	Very low	37.7	Very low	253 Å²	253	136.5 Å²	136.5	96%	0.955	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	11.3	179.2	-71.3	-176.1	173	177.9	-3.6	114.5	R33	R33-R35 PolarHBondContact O-N 3.44Å
36	S	36.6	Very low	39.9	Very low	75 Å²	75	133.1 Å²	133.1	52%	0.524	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.4	11.7	178.7	64.2	0	0	0	0	112.5	S34	S34-S36 PolarHBondContact O-N 2.65Å
37	A	38.8	Very low	41.9	Very low	73 Å²	73	127.3 Å²	127.3	60%	0.603	66%	0.658	S	S	*	*	S	Bend	trans	-96	0.2	-177.8	0	0	0	0	0	113.9	S34	S34-A37 WeakPolarHBondContact O-CB 3.39Å; S34-A37 PolarHBondContact O-N 2.95Å
38	E	37.6	Very low	43.9	Very low	178 Å²	178	126 Å²	126	83%	0.832	65%	0.648	S	S	*	*	S	Bend	trans	-90.3	-26.5	175.2	-68.2	175.7	165.5	0	0	111.2
39	D	39	Very low	45.7	Very low	130 Å²	130	121.8 Å²	121.8	70%	0.695	62%	0.619	S	S	*	*	S	Bend	trans	-84.5	115	166.1	-61	-49.2	0	0	0	110.5	N41	D39-N41 PolarHBondContact O-N 3.49Å
40	G	40.8	Very low	47.5	Very low	90 Å²	90	123.1 Å²	123.1	93%	0.928	62%	0.616	S	S	*	*			trans	-71.2	29	-172.9	0	0	0	0	0	117.2
41	N	40.7	Very low	49.4	Very low	117 Å²	117	119.7 Å²	119.7	63%	0.626	61%	0.612	S	S	*	*			trans	-97.6	90.8	-170.4	-170.4	-0.2	0	0	0	112.6	D39 K43	D39-N41 PolarHBondContact O-N 3.49Å; N41-K43 PolarHBondContact O-N 3.21Å
42	W	43.6	Very low	51.2	Low	193 Å²	193	115.3 Å²	115.3	73%	0.731	59%	0.592	S	S	*	*			trans	-70.6	112.2	176.4	172.3	70.2	0	0	0	111.9	G44	W42-G44 PolarHBondContact O-N 3.25Å
43	K	50.1	Low	53	Low	143 Å²	143	113.5 Å²	113.5	62%	0.622	57%	0.572	S	S	*	*			trans	-86.1	36	-175.6	-50	180	-174	166.2	0	113	N41 E47	N41-K43 PolarHBondContact O-N 3.21Å; K43-E47 HydrophobicContact CB-CG 4.09Å; K43-E47 WeakPolarHBondContact CB-OE2 3.44Å; K43-E47 WeakPolarHBondContact CD-OE1 3.27Å; K43-E47 PolarHBondContact N-OE2 3.09Å
44	G	63.7	Low	55.1	Low	17 Å²	17	106.5 Å²	106.5	18%	0.175	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	71.9	-153.2	169.3	0	0	0	0	0	115.8	W42 G46	W42-G44 PolarHBondContact O-N 3.25Å; G44-G46 PolarHBondContact O-N 2.9Å
45	W	49.9	Very low	57.2	Low	182 Å²	182	109.9 Å²	109.9	69%	0.689	56%	0.564	S	S	*	*	H	α-helix	trans	-67.9	-18.1	-171.5	-161.5	79.5	0	0	0	114.1	M49	W45-M49 HydrophobicContact CD2-CG 3.73Å; W45-M49 HydrophobicContact CE3-CG 3.68Å; W45-M49 HydrophobicContact CH2-CE 3.78Å; W45-M49 HydrophobicContact CH2-CG 3.8Å; W45-M49 HydrophobicContact CH2-SD 4.01Å; W45-M49 HydrophobicContact CZ2-CE 4.12Å; W45-M49 HydrophobicContact CZ2-CG 3.82Å; W45-M49 HydrophobicContact CZ2-SD 3.82Å; W45-M49 HydrophobicContact CZ3-CE 4.33Å; W45-M49 HydrophobicContact CZ3-CG 3.72Å; W45-M49 WeakPolarHBondContact O-CB 3.23Å; W45-M49 WeakPolarHBondContact O-CG 2.97Å; W45-M49 PolarHBondContact O-N 3.22Å
46	G	71.7	Confident	59	Low	46 Å²	46	99.5 Å²	99.5	47%	0.474	53%	0.527	S	S	.	.	H	α-helix	trans	-62.5	-60.7	177	0	0	0	0	0	112.1	G44 Y48 M49 E50	G44-G46 PolarHBondContact O-N 2.9Å; G46-Y48 VanDerWaalsContact C-N 3.29Å; G46-Y48 PolarHBondContact O-N 3.14Å; G46-M49 PolarHBondContact O-N 3.39Å; G46-E50 PolarHBondContact O-N 3.41Å
47	E	71.4	Confident	60.8	Low	71 Å²	71	98.4 Å²	98.4	33%	0.332	52%	0.52	S	S	.	.	H	α-helix	trans	-58.2	-40.7	178.3	-70.3	179.7	150.2	0	0	111.7	K43 M49 E50 C51	K43-E47 HydrophobicContact CB-CG 4.09Å; K43-E47 WeakPolarHBondContact CB-OE2 3.44Å; K43-E47 WeakPolarHBondContact CD-OE1 3.27Å; K43-E47 PolarHBondContact N-OE2 3.09Å; E47-M49 VanDerWaalsContact C-N 3.34Å; E47-M49 PolarHBondContact O-N 3.03Å; E47-E50 PolarHBondContact O-N 2.65Å; E47-C51 WeakPolarHBondContact O-CB 3.44Å; E47-C51 PolarHBondContact O-N 3.03Å
48	Y	71.2	Confident	62.6	Low	113 Å²	113	97 Å²	97	44%	0.443	51%	0.508	S	S	.	.	H	α-helix	trans	-56.3	-46.8	173.4	171.3	-97.1	0	0	0	112	G46 K52	G46-Y48 VanDerWaalsContact C-N 3.29Å; G46-Y48 PolarHBondContact O-N 3.14Å; Y48-K52 HydrophobicContact CE1-CD 3.81Å; Y48-K52 WeakPolarHBondContact O-CB 3.2Å; Y48-K52 PolarHBondContact O-N 3.09Å; Y48-K52 PolarHBondContact OH-NZ 3.4Å
49	M	69.5	Low	64.6	Low	24 Å²	24	93.5 Å²	93.5	12%	0.118	49%	0.491	C	S	.	.	H	α-helix	trans	-71.3	-28	179.9	-75.5	-65.4	-80.6	0	0	113	W45 G46 E47 K52 K53 Y106	W45-M49 HydrophobicContact CD2-CG 3.73Å; W45-M49 HydrophobicContact CE3-CG 3.68Å; W45-M49 HydrophobicContact CH2-CE 3.78Å; W45-M49 HydrophobicContact CH2-CG 3.8Å; W45-M49 HydrophobicContact CH2-SD 4.01Å; W45-M49 HydrophobicContact CZ2-CE 4.12Å; W45-M49 HydrophobicContact CZ2-CG 3.82Å; W45-M49 HydrophobicContact CZ2-SD 3.82Å; W45-M49 HydrophobicContact CZ3-CE 4.33Å; W45-M49 HydrophobicContact CZ3-CG 3.72Å; W45-M49 WeakPolarHBondContact O-CB 3.23Å; W45-M49 WeakPolarHBondContact O-CG 2.97Å; W45-M49 PolarHBondContact O-N 3.22Å; G46-M49 PolarHBondContact O-N 3.39Å; E47-M49 VanDerWaalsContact C-N 3.34Å; E47-M49 PolarHBondContact O-N 3.03Å; M49-K52 HydrophobicContact SD-CD 4.22Å; M49-K53 WeakPolarHBondContact O-CB 3.49Å; M49-K53 VanDerWaalsContact O-CD 3.27Å; M49-K53 WeakPolarHBondContact O-CD 3.47Å; M49-K53 WeakPolarHBondContact O-CG 3.4Å; M49-K53 PolarHBondContact O-N 3.2Å; M49-Y106 HydrophobicContact CE-CE1 4.48Å
50	E	71.9	Confident	66.3	Low	133 Å²	133	88.7 Å²	88.7	62%	0.621	46%	0.464	S	S	*	.	H	α-helix	trans	-73.8	-47.4	172.8	-64	-155.9	140.8	0	0	112.1	G46 E47 K52 K53 S54	G46-E50 PolarHBondContact O-N 3.41Å; E47-E50 PolarHBondContact O-N 2.65Å; E50-K52 VanDerWaalsContact C-N 3.27Å; E50-K52 PolarHBondContact O-N 3.21Å; E50-K53 PolarHBondContact O-N 2.89Å; E50-S54 WeakPolarHBondContact O-CB 3.5Å; E50-S54 PolarHBondContact O-N 3.44Å
51	C	73.2	Confident	67.9	Low	89 Å²	89	90.1 Å²	90.1	60%	0.601	45%	0.447	S	S	*	.	H	α-helix	trans	-56.6	-40.9	171.5	-75.9	0	0	0	0	111.8	E47 S54 K55	E47-C51 WeakPolarHBondContact O-CB 3.44Å; E47-C51 PolarHBondContact O-N 3.03Å; C51-S54 PolarHBondContact O-N 2.81Å; C51-K55 WeakPolarHBondContact O-CB 3.3Å; C51-K55 PolarHBondContact O-N 3.02Å
52	K	71.5	Confident	69.7	Low	74 Å²	74	91.3 Å²	91.3	32%	0.322	45%	0.447	S	S	.	.	H	α-helix	trans	-65.3	-45.8	175.6	-170.3	171.7	-168.3	164.5	0	112.6	Y48 M49 E50 S54 K55 L56	Y48-K52 HydrophobicContact CE1-CD 3.81Å; Y48-K52 WeakPolarHBondContact O-CB 3.2Å; Y48-K52 PolarHBondContact O-N 3.09Å; Y48-K52 PolarHBondContact OH-NZ 3.4Å; M49-K52 HydrophobicContact SD-CD 4.22Å; E50-K52 VanDerWaalsContact C-N 3.27Å; E50-K52 PolarHBondContact O-N 3.21Å; K52-S54 VanDerWaalsContact C-N 3.32Å; K52-S54 PolarHBondContact O-N 3.09Å; K52-K55 PolarHBondContact O-N 3.27Å; K52-L56 HydrophobicContact CG-CD1 4.06Å; K52-L56 WeakPolarHBondContact O-CB 3.2Å; K52-L56 WeakPolarHBondContact O-CD1 3.41Å; K52-L56 VanDerWaalsContact O-CG 3.23Å; K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 3.08Å
53	K	73.6	Confident	71.4	Confident	80 Å²	80	84.8 Å²	84.8	35%	0.348	42%	0.424	S	S	.	.	H	α-helix	trans	-59.5	-42.8	173.9	-73.4	160.6	-166.6	165.3	0	111.2	M49 E50 L56 S57 Y106	M49-K53 WeakPolarHBondContact O-CB 3.49Å; M49-K53 VanDerWaalsContact O-CD 3.27Å; M49-K53 WeakPolarHBondContact O-CD 3.47Å; M49-K53 WeakPolarHBondContact O-CG 3.4Å; M49-K53 PolarHBondContact O-N 3.2Å; E50-K53 PolarHBondContact O-N 2.89Å; K53-L56 PolarHBondContact O-N 2.96Å; K53-S57 WeakPolarHBondContact O-CB 3.3Å; K53-S57 PolarHBondContact O-N 2.94Å; K53-Y106 HydrophobicContact CG-CD2 4.13Å
54	S	75	Confident	72.5	Confident	81 Å²	81	79.6 Å²	79.6	57%	0.566	41%	0.408	S	S	*	.	H	α-helix	trans	-64.5	-49.5	179.1	-167.9	0	0	0	0	112	E50 C51 K52 L56 S57 A58	E50-S54 WeakPolarHBondContact O-CB 3.5Å; E50-S54 PolarHBondContact O-N 3.44Å; C51-S54 PolarHBondContact O-N 2.81Å; K52-S54 VanDerWaalsContact C-N 3.32Å; K52-S54 PolarHBondContact O-N 3.09Å; S54-L56 VanDerWaalsContact C-N 3.33Å; S54-L56 PolarHBondContact O-N 3.43Å; S54-S57 WeakPolarHBondContact O-CB 3.13Å; S54-S57 PolarHBondContact O-N 3.05Å; S54-S57 VanDerWaalsContact O-N 3.14Å; S54-A58 PolarHBondContact O-N 3.23Å
55	K	76.7	Confident	73	Confident	145 Å²	145	83 Å²	83	63%	0.63	43%	0.429	S	S	*	.	H	α-helix	trans	-56.4	-44.5	175.7	-173.5	172	-176.4	172.4	0	112	C51 K52 A58 Q59	C51-K55 WeakPolarHBondContact O-CB 3.3Å; C51-K55 PolarHBondContact O-N 3.02Å; K52-K55 PolarHBondContact O-N 3.27Å; K55-A58 PolarHBondContact O-N 2.97Å; K55-Q59 WeakPolarHBondContact O-CG 3.2Å; K55-Q59 PolarHBondContact O-N 3.39Å
56	L	73.8	Confident	74.3	Confident	36 Å²	36	80.6 Å²	80.6	19%	0.188	43%	0.426	C	S	.	.	H	α-helix	trans	-67.2	-39.7	176.8	-68.5	166.9	0	0	0	112.4	K52 K53 S54 Q59 F60 I105 Y106	K52-L56 HydrophobicContact CG-CD1 4.06Å; K52-L56 WeakPolarHBondContact O-CB 3.2Å; K52-L56 WeakPolarHBondContact O-CD1 3.41Å; K52-L56 VanDerWaalsContact O-CG 3.23Å; K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 3.08Å; K53-L56 PolarHBondContact O-N 2.96Å; S54-L56 VanDerWaalsContact C-N 3.33Å; S54-L56 PolarHBondContact O-N 3.43Å; L56-Q59 PolarHBondContact O-N 2.86Å; L56-F60 WeakPolarHBondContact O-CD2 3.34Å; L56-F60 WeakPolarHBondContact O-CG 3.32Å; L56-F60 PolarHBondContact O-N 3.15Å; L56-I105 HydrophobicContact CB-CD1 4.46Å; L56-I105 HydrophobicContact CD1-CD1 3.86Å; L56-I105 HydrophobicContact CD2-CD1 3.84Å; L56-I105 HydrophobicContact CG-CD1 4.27Å; L56-Y106 HydrophobicContact CD1-CE2 4.07Å
57	S	73.6	Confident	74.2	Confident	52 Å²	52	81.4 Å²	81.4	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-63	-42.1	175.8	-163.9	0	0	0	0	111.9	K53 S54 F60 Q61	K53-S57 WeakPolarHBondContact O-CB 3.3Å; K53-S57 PolarHBondContact O-N 2.94Å; S54-S57 WeakPolarHBondContact O-CB 3.13Å; S54-S57 PolarHBondContact O-N 3.05Å; S54-S57 VanDerWaalsContact O-N 3.14Å; S57-F60 PolarHBondContact O-N 3Å; S57-Q61 PolarHBondContact O-N 3.43Å
58	A	77.2	Confident	73.6	Confident	43 Å²	43	87.9 Å²	87.9	36%	0.355	44%	0.442	S	S	.	.	H	α-helix	trans	-66.4	-39.7	176.6	0	0	0	0	0	112.1	S54 K55 F60 Q61 K62	S54-A58 PolarHBondContact O-N 3.23Å; K55-A58 PolarHBondContact O-N 2.97Å; A58-F60 PolarHBondContact O-N 2.64Å; A58-Q61 PolarHBondContact O-N 2.69Å; A58-K62 PolarHBondContact O-N 2.77Å
59	Q	78.4	Confident	73	Confident	105 Å²	105	86 Å²	86	49%	0.491	44%	0.44	S	S	.	.	H	α-helix	trans	-60.6	-42.7	172.3	-75.7	175.9	-29.8	0	0	111.8	K55 L56 K62 E63	K55-Q59 WeakPolarHBondContact O-CG 3.2Å; K55-Q59 PolarHBondContact O-N 3.39Å; L56-Q59 PolarHBondContact O-N 2.86Å; Q59-K62 PolarHBondContact O-N 3.37Å; Q59-E63 PolarHBondContact O-N 3.31Å
60	F	74.6	Confident	72.4	Confident	29 Å²	29	89.5 Å²	89.5	13%	0.127	46%	0.462	C	S	.	.	H	α-helix	trans	-73	-30.9	177.7	-64.8	-24.6	0	0	0	114.3	L56 S57 A58 K62 E63 A64 Y103 I105	L56-F60 WeakPolarHBondContact O-CD2 3.34Å; L56-F60 WeakPolarHBondContact O-CG 3.32Å; L56-F60 PolarHBondContact O-N 3.15Å; S57-F60 PolarHBondContact O-N 3Å; A58-F60 PolarHBondContact O-N 2.64Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-E63 WeakPolarHBondContact CD1-OE2 3.39Å; F60-E63 PolarHBondContact O-N 3.32Å; F60-A64 VanDerWaalsContact O-CB 3.26Å; F60-A64 WeakPolarHBondContact O-CB 3.19Å; F60-A64 PolarHBondContact O-N 3.15Å; F60-Y103 VanDerWaalsContact CD2-O 3.28Å; F60-Y103 WeakPolarHBondContact CD2-O 3.29Å; F60-Y103 HydrophobicContact CE2-CD1 4.15Å; F60-I105 HydrophobicContact CE2-CD1 3.73Å; F60-I105 HydrophobicContact CE2-CG1 3.78Å; F60-I105 HydrophobicContact CZ-CD1 3.42Å; F60-I105 VanDerWaalsContact CZ-CD1 3.42Å; F60-I105 HydrophobicContact CZ-CG1 3.75Å
61	Q	74.6	Confident	72.1	Confident	119 Å²	119	89.6 Å²	89.6	56%	0.556	46%	0.461	S	S	*	.	H	α-helix	trans	-66.8	-36.2	170.3	-77.8	179.8	-31.3	0	0	111.6	S57 A58 S65	S57-Q61 PolarHBondContact O-N 3.43Å; A58-Q61 PolarHBondContact O-N 2.69Å; Q61-S65 PolarHBondContact O-N 2.92Å; Q61-S65 VanDerWaalsContact O-N 3.09Å
62	K	79.1	Confident	72.6	Confident	143 Å²	143	90.1 Å²	90.1	62%	0.622	46%	0.461	S	S	*	.	H	α-helix	trans	-64.4	-49.9	171	-169.9	178.7	178.4	-177.5	0	111.5	A58 Q59 F60 A64 S65 E66	A58-K62 PolarHBondContact O-N 2.77Å; Q59-K62 PolarHBondContact O-N 3.37Å; F60-K62 VanDerWaalsContact C-N 3.33Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 3.03Å; K62-S65 WeakPolarHBondContact O-CB 3.27Å; K62-S65 PolarHBondContact O-N 3.01Å; K62-S65 PolarHBondContact O-OG 2.81Å; K62-E66 PolarHBondContact O-N 3.04Å
63	E	78.5	Confident	73.4	Confident	56 Å²	56	87.5 Å²	87.5	26%	0.262	45%	0.451	S	S	.	.	H	α-helix	trans	-59.9	-36.5	177.2	-170.4	-177.1	158.7	0	0	112.3	Q59 F60 E66 Y67 K93 L97	Q59-E63 PolarHBondContact O-N 3.31Å; F60-E63 WeakPolarHBondContact CD1-OE2 3.39Å; F60-E63 PolarHBondContact O-N 3.32Å; E63-E66 PolarHBondContact O-N 2.84Å; E63-Y67 HydrophobicContact CG-CE2 4.41Å; E63-Y67 WeakPolarHBondContact O-CD2 3.43Å; E63-Y67 WeakPolarHBondContact O-CE2 3.36Å; E63-K93 WeakPolarHBondContact OE1-CE 3.5Å; E63-K93 IonicContact OE1-NZ 3.99Å; E63-K93 PolarHBondContact OE1-NZ 3.49Å; E63-K93 WeakPolarHBondContact OE2-CE 3.3Å; E63-K93 IonicContact OE2-NZ 2.77Å; E63-K93 PolarHBondContact OE2-NZ 3.14Å; E63-L97 HydrophobicContact CG-CD1 4.43Å
64	A	73.8	Confident	74.2	Confident	34 Å²	34	83.8 Å²	83.8	28%	0.281	43%	0.434	S	S	.	.	H	α-helix	trans	-63.3	-40.3	172.7	0	0	0	0	0	112.2	F60 K62 E66 Y67 L97	F60-A64 VanDerWaalsContact O-CB 3.26Å; F60-A64 WeakPolarHBondContact O-CB 3.19Å; F60-A64 PolarHBondContact O-N 3.15Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 3.03Å; A64-E66 PolarHBondContact O-N 2.93Å; A64-Y67 PolarHBondContact O-N 3.13Å; A64-Y67 VanDerWaalsContact O-N 3.09Å; A64-L97 HydrophobicContact CB-CD2 4.32Å
65	S	74.5	Confident	74.8	Confident	89 Å²	89	87.8 Å²	87.8	62%	0.622	44%	0.442	S	S	*	.	H	α-helix	trans	-66.9	-15.8	179.8	74.7	0	0	0	0	114.5	Q61 K62	Q61-S65 PolarHBondContact O-N 2.92Å; Q61-S65 VanDerWaalsContact O-N 3.09Å; K62-S65 WeakPolarHBondContact O-CB 3.27Å; K62-S65 PolarHBondContact O-N 3.01Å; K62-S65 PolarHBondContact O-OG 2.81Å
66	E	76.2	Confident	75.4	Confident	131 Å²	131	84 Å²	84	61%	0.612	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.7	173.6	-66	173.9	-170.5	0	0	112.3	K62 E63 A64 K68	K62-E66 PolarHBondContact O-N 3.04Å; E63-E66 PolarHBondContact O-N 2.84Å; A64-E66 PolarHBondContact O-N 2.93Å; E66-K68 PolarHBondContact O-N 3.27Å
67	Y	70	Confident	76.2	Confident	62 Å²	62	83 Å²	83	24%	0.243	44%	0.438	C	S	.	.			trans	-81.1	79	176.2	-67.3	-82.8	0	0	0	111.9	E63 A64 D69 R94 K98	E63-Y67 HydrophobicContact CG-CE2 4.41Å; E63-Y67 WeakPolarHBondContact O-CD2 3.43Å; E63-Y67 WeakPolarHBondContact O-CE2 3.36Å; A64-Y67 PolarHBondContact O-N 3.13Å; A64-Y67 VanDerWaalsContact O-N 3.09Å; Y67-D69 PolarHBondContact O-N 2.6Å; Y67-R94 HydrophobicContact CE1-CG 4.23Å; Y67-R94 WeakPolarHBondContact OH-CG 3.2Å; Y67-R94 PolarHBondContact OH-NE 2.73Å; Y67-K98 HydrophobicContact CD1-CB 3.87Å; Y67-K98 HydrophobicContact CD1-CD 4.43Å; Y67-K98 HydrophobicContact CD1-CG 3.98Å; Y67-K98 HydrophobicContact CE1-CB 4.38Å; Y67-K98 HydrophobicContact CG-CB 4.25Å
68	K	58.7	Low	77.1	Confident	207 Å²	207	80.9 Å²	80.9	90%	0.9	42%	0.423	S	S	*	.			trans	-63.2	3.1	175.9	-64.1	-175.5	176.8	-178.6	0	115.7	E66	E66-K68 PolarHBondContact O-N 3.27Å
69	D	58.6	Low	77.8	Confident	75 Å²	75	78.9 Å²	78.9	40%	0.401	41%	0.407	S	S	.	.			trans	-127.8	94.7	-157.1	-179.4	29.1	0	0	0	115.1	Y67 K98	Y67-D69 PolarHBondContact O-N 2.6Å; D69-K98 WeakPolarHBondContact O-CE 3.17Å; D69-K98 VanDerWaalsContact OD2-CE 3.23Å; D69-K98 WeakPolarHBondContact OD2-CE 3.26Å; D69-K98 IonicContact OD2-NZ 2.65Å; D69-K98 PolarHBondContact OD2-NZ 3.37Å
70	T	58.1	Low	78.5	Confident	97 Å²	97	76.2 Å²	76.2	60%	0.595	39%	0.393	S	S	*	.			trans	60.1	142.7	144.6	66.9	0	0	0	0	123.1	H99	T70-H99 PolarHBondContact O-ND1 2.87Å; T70-H99 VanDerWaalsContact O-ND1 3.08Å
71	K	65.3	Low	79.2	Confident	135 Å²	135	75.4 Å²	75.4	59%	0.587	39%	0.39	S	S	*	.			trans	62.4	104.4	175.1	-57.5	-171.9	-179.2	-175.7	0	115.7	I73 H99	K71-I73 HydrophobicContact CB-CD1 4.24Å; K71-I73 HydrophobicContact CB-CG1 3.91Å; K71-I73 PolarHBondContact O-N 3.08Å; K71-H99 CarbonylContact O-C 3.6Å; K71-H99 VanDerWaalsContact O-CA 3.27Å; K71-H99 WeakPolarHBondContact O-CA 3.38Å; K71-H99 WeakPolarHBondContact O-CB 3.46Å; K71-H99 PolarHBondContact O-ND1 3.36Å; K71-H99 VanDerWaalsContact O-ND1 3.15Å
72	T	82.7	Confident	79.8	Confident	100 Å²	100	70.7 Å²	70.7	61%	0.613	37%	0.368	S	S	*	.			trans	-81.3	55.5	177.3	62.2	0	0	0	0	112.7	F74 K75 H99	T72-F74 VanDerWaalsContact C-N 3.3Å; T72-F74 PolarHBondContact O-N 3.26Å; T72-K75 PolarHBondContact O-N 3.46Å; T72-H99 CarbonylContact C-O 3.6Å; T72-H99 VanDerWaalsContact C-O 3.29Å; T72-H99 WeakPolarHBondContact CA-O 3.43Å
73	I	88.4	Confident	79.9	Confident	19 Å²	19	66.4 Å²	66.4	10%	0.097	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-35.7	-173.8	-53.6	176.5	0	0	0	111.9	K71 H99 L148	K71-I73 HydrophobicContact CB-CD1 4.24Å; K71-I73 HydrophobicContact CB-CG1 3.91Å; K71-I73 PolarHBondContact O-N 3.08Å; I73-H99 HydrophobicContact CB-CB 4.07Å; I73-H99 HydrophobicContact CD1-CB 4.35Å; I73-H99 HydrophobicContact CG1-CB 4.22Å; I73-H99 PolarHBondContact N-O 3.26Å; I73-L148 HydrophobicContact CG2-CB 4.36Å
74	F	90.4	Very high	80	Confident	1 Å²	1	71.2 Å²	71.2	0%	0.004	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	25.3	-176.2	-56.7	-63	0	0	0	113.3	T72 G76 I77 H99 G101 I139 V143 L148	T72-F74 VanDerWaalsContact C-N 3.3Å; T72-F74 PolarHBondContact O-N 3.26Å; F74-G76 PolarHBondContact O-N 2.83Å; F74-G76 VanDerWaalsContact O-N 3.14Å; F74-I77 HydrophobicContact CB-CB 4.24Å; F74-I77 HydrophobicContact CD1-CD1 4.32Å; F74-I77 WeakPolarHBondContact O-CB 3.48Å; F74-I77 PolarHBondContact O-N 2.93Å; F74-H99 HydrophobicContact CD2-CB 3.78Å; F74-H99 HydrophobicContact CE2-CB 4.09Å; F74-H99 PolarHBondContact N-O 3.33Å; F74-G101 WeakPolarHBondContact O-CA 3.37Å; F74-I139 HydrophobicContact CE1-CG1 4.44Å; F74-I139 HydrophobicContact CE2-CG2 4.09Å; F74-I139 HydrophobicContact CZ-CB 4.23Å; F74-I139 HydrophobicContact CZ-CG1 4.34Å; F74-I139 HydrophobicContact CZ-CG2 3.86Å; F74-V143 HydrophobicContact CE2-CG2 3.64Å; F74-V143 HydrophobicContact CZ-CG2 3.92Å; F74-L148 HydrophobicContact CD1-CD1 3.69Å; F74-L148 HydrophobicContact CE1-CD1 3.73Å
75	K	87.7	Confident	80.6	Confident	166 Å²	166	69.9 Å²	69.9	72%	0.722	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	119	-179.2	-170	177.7	179.3	-178.8	0	111.3	T72 I77 G100	T72-K75 PolarHBondContact O-N 3.46Å; K75-I77 VanDerWaalsContact C-N 3.34Å; K75-G100 WeakPolarHBondContact CA-O 3.49Å
76	G	88.4	Confident	81.1	Confident	64 Å²	64	68.5 Å²	68.5	66%	0.66	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	7.1	-177.4	0	0	0	0	0	115	F74	F74-G76 PolarHBondContact O-N 2.83Å; F74-G76 VanDerWaalsContact O-N 3.14Å
77	I	91.4	Very high	81.7	Confident	15 Å²	15	63.1 Å²	63.1	8%	0.077	33%	0.331	C	S	.	.			trans	-102.1	104.5	174.6	-68.8	166.1	0	0	0	109.2	F74 K75 V79 G101 E102 W138 L148	F74-I77 HydrophobicContact CB-CB 4.24Å; F74-I77 HydrophobicContact CD1-CD1 4.32Å; F74-I77 WeakPolarHBondContact O-CB 3.48Å; F74-I77 PolarHBondContact O-N 2.93Å; K75-I77 VanDerWaalsContact C-N 3.34Å; I77-V79 HydrophobicContact CG2-CG2 3.71Å; I77-G101 WeakPolarHBondContact O-CA 3.45Å; I77-E102 PolarHBondContact O-N 3.45Å; I77-W138 HydrophobicContact CD1-CH2 3.95Å; I77-W138 HydrophobicContact CD1-CZ2 4.42Å; I77-W138 HydrophobicContact CG2-CH2 4.31Å; I77-W138 HydrophobicContact CG2-CZ3 4.39Å; I77-L148 HydrophobicContact CD1-CD1 3.7Å; I77-L148 HydrophobicContact CD1-CD2 3.56Å; I77-L148 HydrophobicContact CD1-CG 4.29Å
78	S	91.4	Very high	82.5	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.063	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.7	171.7	-33.5	0	0	0	0	110.3	E102 K110 T112 H113	S78-E102 WeakPolarHBondContact CA-O 3.28Å; S78-E102 WeakPolarHBondContact CB-OE2 3.38Å; S78-E102 PolarHBondContact OG-OE2 3.4Å; S78-K110 WeakPolarHBondContact CB-O 3.47Å; S78-T112 PolarHBondContact N-OG1 2.67Å; S78-T112 PolarHBondContact O-N 2.83Å; S78-T112 PolarHBondContact O-OG1 3.03Å; S78-H113 PolarHBondContact O-N 3.34Å
79	V	92.6	Very high	84	Confident	1 Å²	1	55 Å²	55	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.7	-166.4	176.3	0	0	0	0	112.4	I77 V81 I96 E102 H104 H113 I115	I77-V79 HydrophobicContact CG2-CG2 3.71Å; V79-V81 HydrophobicContact CG1-CG2 4.33Å; V79-I96 HydrophobicContact CB-CD1 3.8Å; V79-I96 HydrophobicContact CG1-CD1 3.7Å; V79-I96 HydrophobicContact CG2-CD1 3.91Å; V79-I96 HydrophobicContact CG2-CG1 4.27Å; V79-I96 HydrophobicContact CG2-CG2 4.27Å; V79-E102 PolarHBondContact N-O 3.05Å; V79-H104 PolarHBondContact O-N 2.85Å; V79-H113 WeakPolarHBondContact CA-O 3.39Å; V79-I115 HydrophobicContact CG1-CB 4.49Å; V79-I115 HydrophobicContact CG1-CD1 4.45Å; V79-I115 HydrophobicContact CG1-CG1 3.49Å; V79-I115 VanDerWaalsContact CG1-CG1 3.49Å
80	Y	92.5	Very high	85.4	Confident	49 Å²	49	55.2 Å²	55.2	19%	0.192	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.6	163	169.3	-119.1	0	0	0	110.4	N82 I105 R107 H113 V114 I115	Y80-N82 HydrophobicContact CD1-CB 4.1Å; Y80-N82 HydrophobicContact CE1-CB 3.6Å; Y80-I105 VanDerWaalsContact CE2-O 3.27Å; Y80-I105 WeakPolarHBondContact CE2-O 3.27Å; Y80-R107 HydrophobicContact CD1-CB 3.65Å; Y80-R107 HydrophobicContact CD1-CG 4.27Å; Y80-R107 HydrophobicContact CE1-CB 3.92Å; Y80-R107 HydrophobicContact CG-CB 4Å; Y80-H113 PolarHBondContact N-O 2.8Å; Y80-V114 HydrophobicContact CD1-CG1 4.14Å; Y80-V114 HydrophobicContact CD1-CG2 4.3Å; Y80-V114 CarbonylContact O-C 3.47Å; Y80-V114 VanDerWaalsContact O-CA 3.29Å; Y80-V114 WeakPolarHBondContact O-CA 3.43Å; Y80-I115 PolarHBondContact O-N 2.95Å
81	V	91.2	Very high	87	Confident	12 Å²	12	55.6 Å²	55.6	7%	0.073	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.4	173.7	-179.1	0	0	0	0	110	V79 T85 A89 L92 Y103 I115	V79-V81 HydrophobicContact CG1-CG2 4.33Å; V81-T85 HydrophobicContact CG1-CG2 3.68Å; V81-T85 WeakPolarHBondContact CG1-OG1 3.26Å; V81-A89 HydrophobicContact CB-CB 4.07Å; V81-A89 HydrophobicContact CG1-CB 3.67Å; V81-A89 HydrophobicContact CG2-CB 4.43Å; V81-L92 HydrophobicContact CG1-CD1 4.5Å; V81-L92 HydrophobicContact CG2-CB 4.42Å; V81-L92 HydrophobicContact CG2-CD1 4.11Å; V81-Y103 HydrophobicContact CB-CE2 4.33Å; V81-Y103 HydrophobicContact CG2-CE2 3.61Å; V81-I115 CarbonylContact C-O 3.55Å; V81-I115 WeakPolarHBondContact CA-O 3.43Å; V81-I115 HydrophobicContact CG2-CB 4.21Å
82	N	86.9	Confident	88.3	Confident	19 Å²	19	49.2 Å²	49.2	10%	0.102	29%	0.288	C	S	.	.			trans	-132.9	104	-169.4	-171.3	-2.2	0	0	0	111.3	Y80 V114 I115 A116 L119 K123	Y80-N82 HydrophobicContact CD1-CB 4.1Å; Y80-N82 HydrophobicContact CE1-CB 3.6Å; N82-V114 HydrophobicContact CB-CG1 3.78Å; N82-I115 PolarHBondContact N-O 3.12Å; N82-A116 VanDerWaalsContact O-CB 3.27Å; N82-A116 WeakPolarHBondContact O-CB 3.27Å; N82-L119 HydrophobicContact CB-CD2 4.06Å; N82-L119 WeakPolarHBondContact ND2-CD2 3.41Å; N82-K123 PolarHBondContact OD1-NZ 3.41Å
83	G	80.6	Confident	88.7	Confident	54 Å²	54	46 Å²	46	56%	0.557	27%	0.266	S	S	*	.	S	Bend	trans	84.8	-159.5	-177.2	0	0	0	0	0	113
84	Y	80.6	Confident	88.8	Confident	157 Å²	157	52.7 Å²	52.7	62%	0.616	29%	0.29	S	S	*	.			trans	-66.9	142.3	179.4	-170.4	-92.5	0	0	0	111.5	E86 A117	Y84-E86 HydrophobicContact CE1-CB 4.3Å; Y84-E86 VanDerWaalsContact CE1-OE2 3.27Å; Y84-E86 WeakPolarHBondContact CE1-OE2 3.35Å; Y84-E86 PolarHBondContact OH-OE2 2.91Å; Y84-A117 HydrophobicContact CD1-CB 4.42Å; Y84-A117 VanDerWaalsContact O-CB 3.29Å; Y84-A117 WeakPolarHBondContact O-CB 3.12Å; Y84-A117 PolarHBondContact O-N 3.2Å
85	T	87	Confident	88.9	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.031	30%	0.299	C	S	.	.			trans	-146	142.7	175.9	33.6	0	0	0	0	109.8	V81 P87 P88 A89 L92 I115 P136	V81-T85 HydrophobicContact CG1-CG2 3.68Å; V81-T85 WeakPolarHBondContact CG1-OG1 3.26Å; T85-P87 CarbonylContact C-O 3.59Å; T85-P87 VanDerWaalsContact C-O 3.26Å; T85-P87 CarbonylContact O-C 3.56Å; T85-P87 VanDerWaalsContact O-C 3.29Å; T85-P88 WeakPolarHBondContact O-CA 3.45Å; T85-A89 PolarHBondContact OG1-N 2.98Å; T85-L92 HydrophobicContact CG2-CD1 3.9Å; T85-I115 HydrophobicContact CG2-CG2 4Å; T85-P136 HydrophobicContact CG2-CB 4.02Å; T85-P136 HydrophobicContact CG2-CG 4.23Å
86	E	84.1	Confident	89	Confident	60 Å²	60	46.6 Å²	46.6	28%	0.28	27%	0.265	S	S	.	.	S	Bend	trans	-120.3	115.1	174.6	-156.8	82.7	-114.3	0	0	106.4	Y84 P136 D311	Y84-E86 HydrophobicContact CE1-CB 4.3Å; Y84-E86 VanDerWaalsContact CE1-OE2 3.27Å; Y84-E86 WeakPolarHBondContact CE1-OE2 3.35Å; Y84-E86 PolarHBondContact OH-OE2 2.91Å; E86-P136 VanDerWaalsContact O-CB 3.3Å; E86-P136 WeakPolarHBondContact O-CB 3.18Å; E86-P136 WeakPolarHBondContact O-CG 3.2Å; E86-D311 HydrophobicContact CG-CB 4.29Å
87	P	88.1	Confident	89.1	Confident	19 Å²	19	44 Å²	44	12%	0.123	24%	0.236	C	C	.	.	S	Bend	cis	-67.7	166	-5.1	31.9	-37.4	0	0	0	112.9	T85 Q91 L92 T140	T85-P87 CarbonylContact C-O 3.59Å; T85-P87 VanDerWaalsContact C-O 3.26Å; T85-P87 CarbonylContact O-C 3.56Å; T85-P87 VanDerWaalsContact O-C 3.29Å; P87-Q91 HydrophobicContact CB-CB 4.2Å; P87-Q91 HydrophobicContact CB-CG 4.07Å; P87-Q91 HydrophobicContact CG-CG 4.31Å; P87-L92 HydrophobicContact CG-CD2 3.88Å; P87-L92 HydrophobicContact CG-CG 4.28Å; P87-L92 WeakPolarHBondContact O-CG 3.43Å; P87-T140 VanDerWaalsContact CD-CG2 3.48Å; P87-T140 HydrophobicContact CG-CG2 3.62Å
88	P	87.8	Confident	88.9	Confident	68 Å²	68	46.6 Å²	46.6	44%	0.442	25%	0.247	S	C	.	.			trans	-58.2	152.8	-175.6	-27.1	35.7	0	0	0	114.7	T85 A90 Q91 L92	T85-P88 WeakPolarHBondContact O-CA 3.45Å; P88-A90 PolarHBondContact O-N 3.5Å; P88-Q91 WeakPolarHBondContact O-CA 3.07Å; P88-Q91 WeakPolarHBondContact O-CB 3.4Å; P88-Q91 PolarHBondContact O-N 3.31Å; P88-L92 PolarHBondContact O-N 3.06Å
89	A	89.5	Confident	88.9	Confident	31 Å²	31	47 Å²	47	26%	0.256	25%	0.248	S	C	.	.	H	α-helix	trans	-49	-35.3	-179.3	0	0	0	0	0	114.9	V81 T85 K93	V81-A89 HydrophobicContact CB-CB 4.07Å; V81-A89 HydrophobicContact CG1-CB 3.67Å; V81-A89 HydrophobicContact CG2-CB 4.43Å; T85-A89 PolarHBondContact OG1-N 2.98Å; A89-K93 WeakPolarHBondContact O-CB 3.35Å; A89-K93 PolarHBondContact O-N 2.93Å
90	A	88.8	Confident	88.6	Confident	78 Å²	78	48.9 Å²	48.9	65%	0.645	27%	0.267	S	S	*	.	H	α-helix	trans	-70.2	-33.4	176.3	0	0	0	0	0	113.5	P88 R94	P88-A90 PolarHBondContact O-N 3.5Å; A90-R94 PolarHBondContact O-N 3.35Å; A90-R94 VanDerWaalsContact O-N 3.17Å
91	Q	90.9	Very high	88.4	Confident	106 Å²	106	46.9 Å²	46.9	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	-75.8	-40.2	173.2	-176.9	172.8	-8.7	0	0	110.8	P87 P88 K93 R94 L95	P87-Q91 HydrophobicContact CB-CB 4.2Å; P87-Q91 HydrophobicContact CB-CG 4.07Å; P87-Q91 HydrophobicContact CG-CG 4.31Å; P88-Q91 WeakPolarHBondContact O-CA 3.07Å; P88-Q91 WeakPolarHBondContact O-CB 3.4Å; P88-Q91 PolarHBondContact O-N 3.31Å; Q91-K93 PolarHBondContact O-N 3.37Å; Q91-R94 PolarHBondContact O-N 3.39Å; Q91-L95 WeakPolarHBondContact O-CG 3.48Å; Q91-L95 PolarHBondContact O-N 2.89Å
92	L	92.6	Very high	88.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-47.5	170.9	-68	176	0	0	0	111.1	V81 T85 P87 P88 R94 L95 I96 I115 P136 I139	V81-L92 HydrophobicContact CG1-CD1 4.5Å; V81-L92 HydrophobicContact CG2-CB 4.42Å; V81-L92 HydrophobicContact CG2-CD1 4.11Å; T85-L92 HydrophobicContact CG2-CD1 3.9Å; P87-L92 HydrophobicContact CG-CD2 3.88Å; P87-L92 HydrophobicContact CG-CG 4.28Å; P87-L92 WeakPolarHBondContact O-CG 3.43Å; P88-L92 PolarHBondContact O-N 3.06Å; L92-R94 VanDerWaalsContact C-N 3.31Å; L92-R94 PolarHBondContact O-N 2.7Å; L92-L95 PolarHBondContact O-N 2.99Å; L92-L95 VanDerWaalsContact O-N 3.15Å; L92-I96 HydrophobicContact CB-CD1 4.4Å; L92-I96 WeakPolarHBondContact O-CB 3.33Å; L92-I96 VanDerWaalsContact O-CD1 3.3Å; L92-I96 WeakPolarHBondContact O-CD1 3.48Å; L92-I96 WeakPolarHBondContact O-CG1 3.45Å; L92-I96 PolarHBondContact O-N 3.18Å; L92-I115 HydrophobicContact CD1-CG2 4.12Å; L92-P136 HydrophobicContact CD1-CB 4Å; L92-P136 HydrophobicContact CD2-CB 4.39Å; L92-I139 HydrophobicContact CD2-CB 4.03Å; L92-I139 HydrophobicContact CD2-CD1 4.12Å; L92-I139 HydrophobicContact CD2-CG2 4Å
93	K	91.8	Very high	88.5	Confident	33 Å²	33	50.7 Å²	50.7	14%	0.143	28%	0.277	C	S	.	.	H	α-helix	trans	-49.7	-50.8	171.9	178.9	-166.4	178.5	-146	0	111.3	E63 A89 Q91 L95 I96 L97 Y103	E63-K93 WeakPolarHBondContact OE1-CE 3.5Å; E63-K93 IonicContact OE1-NZ 3.99Å; E63-K93 PolarHBondContact OE1-NZ 3.49Å; E63-K93 WeakPolarHBondContact OE2-CE 3.3Å; E63-K93 IonicContact OE2-NZ 2.77Å; E63-K93 PolarHBondContact OE2-NZ 3.14Å; A89-K93 WeakPolarHBondContact O-CB 3.35Å; A89-K93 PolarHBondContact O-N 2.93Å; Q91-K93 PolarHBondContact O-N 3.37Å; K93-L95 VanDerWaalsContact C-N 3.35Å; K93-L95 PolarHBondContact O-N 3.37Å; K93-I96 PolarHBondContact O-N 2.89Å; K93-L97 HydrophobicContact CD-CD1 4.5Å; K93-L97 HydrophobicContact CG-CD1 3.92Å; K93-L97 HydrophobicContact CG-CG 4.31Å; K93-L97 WeakPolarHBondContact O-CB 3.38Å; K93-L97 WeakPolarHBondContact O-CG 3.39Å; K93-L97 PolarHBondContact O-N 3.49Å; K93-Y103 HydrophobicContact CB-CD1 4.3Å; K93-Y103 HydrophobicContact CB-CD2 3.61Å; K93-Y103 HydrophobicContact CB-CE1 4.42Å; K93-Y103 HydrophobicContact CB-CE2 3.7Å; K93-Y103 HydrophobicContact CB-CG 3.92Å; K93-Y103 HydrophobicContact CD-CD1 4.27Å; K93-Y103 HydrophobicContact CG-CD1 3.92Å; K93-Y103 HydrophobicContact CG-CD2 3.93Å; K93-Y103 HydrophobicContact CG-CE1 4.39Å; K93-Y103 HydrophobicContact CG-CE2 4.36Å; K93-Y103 HydrophobicContact CG-CG 3.68Å
94	R	90.3	Very high	88.9	Confident	160 Å²	160	49.2 Å²	49.2	60%	0.604	26%	0.255	S	S	*	.	H	α-helix	trans	-61.5	-40.4	-179.7	-167.3	169.7	-164.1	-160.6	0	112.8	Y67 A90 Q91 L92 K98	Y67-R94 HydrophobicContact CE1-CG 4.23Å; Y67-R94 WeakPolarHBondContact OH-CG 3.2Å; Y67-R94 PolarHBondContact OH-NE 2.73Å; A90-R94 PolarHBondContact O-N 3.35Å; A90-R94 VanDerWaalsContact O-N 3.17Å; Q91-R94 PolarHBondContact O-N 3.39Å; L92-R94 VanDerWaalsContact C-N 3.31Å; L92-R94 PolarHBondContact O-N 2.7Å; R94-K98 VanDerWaalsContact O-CB 3.27Å; R94-K98 WeakPolarHBondContact O-CB 3.26Å; R94-K98 PolarHBondContact O-N 3.42Å
95	L	91.7	Very high	89	Confident	38 Å²	38	44.9 Å²	44.9	20%	0.199	24%	0.242	C	C	.	.	H	α-helix	trans	-68	-43	176.5	-68	173.6	0	0	0	112.4	Q91 L92 K93 H99 I139 T140 V143	Q91-L95 WeakPolarHBondContact O-CG 3.48Å; Q91-L95 PolarHBondContact O-N 2.89Å; L92-L95 PolarHBondContact O-N 2.99Å; L92-L95 VanDerWaalsContact O-N 3.15Å; K93-L95 VanDerWaalsContact C-N 3.35Å; K93-L95 PolarHBondContact O-N 3.37Å; L95-H99 PolarHBondContact O-CD2 2.99Å; L95-H99 PolarHBondContact O-N 3.06Å; L95-H99 VanDerWaalsContact O-N 3.15Å; L95-I139 HydrophobicContact CB-CG2 4.04Å; L95-I139 HydrophobicContact CD1-CG2 4.31Å; L95-T140 HydrophobicContact CD1-CG2 4.09Å; L95-V143 HydrophobicContact CB-CG2 4.45Å; L95-V143 HydrophobicContact CD2-CG1 4.32Å
96	I	91.3	Very high	88.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-52.3	178	-66.2	155.9	0	0	0	110.3	V79 L92 K93 H99 G100 G101 Y103 I139	V79-I96 HydrophobicContact CB-CD1 3.8Å; V79-I96 HydrophobicContact CG1-CD1 3.7Å; V79-I96 HydrophobicContact CG2-CD1 3.91Å; V79-I96 HydrophobicContact CG2-CG1 4.27Å; V79-I96 HydrophobicContact CG2-CG2 4.27Å; L92-I96 HydrophobicContact CB-CD1 4.4Å; L92-I96 WeakPolarHBondContact O-CB 3.33Å; L92-I96 VanDerWaalsContact O-CD1 3.3Å; L92-I96 WeakPolarHBondContact O-CD1 3.48Å; L92-I96 WeakPolarHBondContact O-CG1 3.45Å; L92-I96 PolarHBondContact O-N 3.18Å; K93-I96 PolarHBondContact O-N 2.89Å; I96-H99 CarbonylContact O-C 3.56Å; I96-H99 PolarHBondContact O-N 3.12Å; I96-G100 PolarHBondContact O-N 3.29Å; I96-G101 PolarHBondContact O-N 3.08Å; I96-Y103 HydrophobicContact CD1-CD2 3.84Å; I96-Y103 HydrophobicContact CD1-CE2 4.44Å; I96-I139 HydrophobicContact CD1-CD1 3.76Å; I96-I139 HydrophobicContact CG1-CD1 3.86Å; I96-I139 HydrophobicContact CG1-CG2 4.36Å
97	L	90.1	Very high	88.6	Confident	11 Å²	11	51 Å²	51	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-45.1	-178.6	-66.1	-177.9	0	0	0	111.6	E63 A64 K93 H99 G100	E63-L97 HydrophobicContact CG-CD1 4.43Å; A64-L97 HydrophobicContact CB-CD2 4.32Å; K93-L97 HydrophobicContact CD-CD1 4.5Å; K93-L97 HydrophobicContact CG-CD1 3.92Å; K93-L97 HydrophobicContact CG-CG 4.31Å; K93-L97 WeakPolarHBondContact O-CB 3.38Å; K93-L97 WeakPolarHBondContact O-CG 3.39Å; K93-L97 PolarHBondContact O-N 3.49Å; L97-H99 VanDerWaalsContact C-N 3.26Å; L97-H99 PolarHBondContact O-N 3.1Å; L97-G100 PolarHBondContact O-N 2.84Å
98	K	88.1	Confident	88.3	Confident	68 Å²	68	52.1 Å²	52.1	30%	0.296	27%	0.269	S	S	.	.	H	α-helix	trans	-58.4	-40	177.4	-175.7	177.7	-179.7	-177.5	0	111.7	Y67 D69 R94 G100	Y67-K98 HydrophobicContact CD1-CB 3.87Å; Y67-K98 HydrophobicContact CD1-CD 4.43Å; Y67-K98 HydrophobicContact CD1-CG 3.98Å; Y67-K98 HydrophobicContact CE1-CB 4.38Å; Y67-K98 HydrophobicContact CG-CB 4.25Å; D69-K98 WeakPolarHBondContact O-CE 3.17Å; D69-K98 VanDerWaalsContact OD2-CE 3.23Å; D69-K98 WeakPolarHBondContact OD2-CE 3.26Å; D69-K98 IonicContact OD2-NZ 2.65Å; D69-K98 PolarHBondContact OD2-NZ 3.37Å; R94-K98 VanDerWaalsContact O-CB 3.27Å; R94-K98 WeakPolarHBondContact O-CB 3.26Å; R94-K98 PolarHBondContact O-N 3.42Å; K98-G100 PolarHBondContact O-N 3.35Å
99	H	90.2	Very high	88	Confident	19 Å²	19	55.3 Å²	55.3	9%	0.088	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	26.1	-177.5	-63.6	-57.8	0	0	0	114.3	T70 K71 T72 I73 F74 L95 I96 L97	T70-H99 PolarHBondContact O-ND1 2.87Å; T70-H99 VanDerWaalsContact O-ND1 3.08Å; K71-H99 CarbonylContact O-C 3.6Å; K71-H99 VanDerWaalsContact O-CA 3.27Å; K71-H99 WeakPolarHBondContact O-CA 3.38Å; K71-H99 WeakPolarHBondContact O-CB 3.46Å; K71-H99 PolarHBondContact O-ND1 3.36Å; K71-H99 VanDerWaalsContact O-ND1 3.15Å; T72-H99 CarbonylContact C-O 3.6Å; T72-H99 VanDerWaalsContact C-O 3.29Å; T72-H99 WeakPolarHBondContact CA-O 3.43Å; I73-H99 HydrophobicContact CB-CB 4.07Å; I73-H99 HydrophobicContact CD1-CB 4.35Å; I73-H99 HydrophobicContact CG1-CB 4.22Å; I73-H99 PolarHBondContact N-O 3.26Å; F74-H99 HydrophobicContact CD2-CB 3.78Å; F74-H99 HydrophobicContact CE2-CB 4.09Å; F74-H99 PolarHBondContact N-O 3.33Å; L95-H99 PolarHBondContact O-CD2 2.99Å; L95-H99 PolarHBondContact O-N 3.06Å; L95-H99 VanDerWaalsContact O-N 3.15Å; I96-H99 CarbonylContact O-C 3.56Å; I96-H99 PolarHBondContact O-N 3.12Å; L97-H99 VanDerWaalsContact C-N 3.26Å; L97-H99 PolarHBondContact O-N 3.1Å
100	G	86.1	Confident	87.7	Confident	40 Å²	40	61.1 Å²	61.1	41%	0.412	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	19.9	164.1	0	0	0	0	0	116.4	K75 I96 L97 K98	K75-G100 WeakPolarHBondContact CA-O 3.49Å; I96-G100 PolarHBondContact O-N 3.29Å; L97-G100 PolarHBondContact O-N 2.84Å; K98-G100 PolarHBondContact O-N 3.35Å
101	G	89.1	Confident	87.6	Confident	7 Å²	7	58.2 Å²	58.2	7%	0.072	29%	0.287	C	S	.	.			trans	-99.2	169.1	168.4	0	0	0	0	0	112.4	F74 I77 I96	F74-G101 WeakPolarHBondContact O-CA 3.37Å; I77-G101 WeakPolarHBondContact O-CA 3.45Å; I96-G101 PolarHBondContact O-N 3.08Å
102	E	88.9	Confident	87.6	Confident	80 Å²	80	55.8 Å²	55.8	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.8	177.9	-59.4	-179.4	135	0	0	111.4	I77 S78 V79 H104	I77-E102 PolarHBondContact O-N 3.45Å; S78-E102 WeakPolarHBondContact CA-O 3.28Å; S78-E102 WeakPolarHBondContact CB-OE2 3.38Å; S78-E102 PolarHBondContact OG-OE2 3.4Å; V79-E102 PolarHBondContact N-O 3.05Å; E102-H104 IonicContact OE2-NE2 3.73Å
103	Y	90.9	Very high	87.7	Confident	30 Å²	30	56.1 Å²	56.1	12%	0.118	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.4	175.6	-173.5	-83.5	0	0	0	111.3	F60 V81 K93 I96 I105	F60-Y103 VanDerWaalsContact CD2-O 3.28Å; F60-Y103 WeakPolarHBondContact CD2-O 3.29Å; F60-Y103 HydrophobicContact CE2-CD1 4.15Å; V81-Y103 HydrophobicContact CB-CE2 4.33Å; V81-Y103 HydrophobicContact CG2-CE2 3.61Å; K93-Y103 HydrophobicContact CB-CD1 4.3Å; K93-Y103 HydrophobicContact CB-CD2 3.61Å; K93-Y103 HydrophobicContact CB-CE1 4.42Å; K93-Y103 HydrophobicContact CB-CE2 3.7Å; K93-Y103 HydrophobicContact CB-CG 3.92Å; K93-Y103 HydrophobicContact CD-CD1 4.27Å; K93-Y103 HydrophobicContact CG-CD1 3.92Å; K93-Y103 HydrophobicContact CG-CD2 3.93Å; K93-Y103 HydrophobicContact CG-CE1 4.39Å; K93-Y103 HydrophobicContact CG-CE2 4.36Å; K93-Y103 HydrophobicContact CG-CG 3.68Å; I96-Y103 HydrophobicContact CD1-CD2 3.84Å; I96-Y103 HydrophobicContact CD1-CE2 4.44Å; Y103-I105 HydrophobicContact CE1-CG1 4.48Å
104	H	88.7	Confident	87.6	Confident	23 Å²	23	54.8 Å²	54.8	11%	0.106	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.4	175.8	-57.8	164.7	0	0	0	110.9	V79 E102 Y106 T108 T111	V79-H104 PolarHBondContact O-N 2.85Å; E102-H104 IonicContact OE2-NE2 3.73Å; H104-Y106 VanDerWaalsContact C-N 3.26Å; H104-Y106 VanDerWaalsContact CB-O 3.29Å; H104-Y106 WeakPolarHBondContact CB-O 3.5Å; H104-Y106 PolarHBondContact O-N 3.21Å; H104-T108 PolarHBondContact CE1-OG1 2.97Å; H104-T108 PolarHBondContact ND1-OG1 3.23Å; H104-T111 PolarHBondContact ND1-OG1 2.86Å
105	I	82.7	Confident	87.8	Confident	67 Å²	67	47.1 Å²	47.1	34%	0.344	25%	0.247	S	C	.	.	S	Bend	trans	-64.5	-31.9	169	-79.3	162.5	0	0	0	111.6	L56 F60 Y80 Y103	L56-I105 HydrophobicContact CB-CD1 4.46Å; L56-I105 HydrophobicContact CD1-CD1 3.86Å; L56-I105 HydrophobicContact CD2-CD1 3.84Å; L56-I105 HydrophobicContact CG-CD1 4.27Å; F60-I105 HydrophobicContact CE2-CD1 3.73Å; F60-I105 HydrophobicContact CE2-CG1 3.78Å; F60-I105 HydrophobicContact CZ-CD1 3.42Å; F60-I105 VanDerWaalsContact CZ-CD1 3.42Å; F60-I105 HydrophobicContact CZ-CG1 3.75Å; Y80-I105 VanDerWaalsContact CE2-O 3.27Å; Y80-I105 WeakPolarHBondContact CE2-O 3.27Å; Y103-I105 HydrophobicContact CE1-CG1 4.48Å
106	Y	81.3	Confident	87.6	Confident	83 Å²	83	45.3 Å²	45.3	33%	0.325	24%	0.237	S	C	.	.	S	Bend	trans	-123.9	141.1	-178.8	-56.3	-70.2	0	0	0	109.4	M49 K53 L56 H104 T108	M49-Y106 HydrophobicContact CE-CE1 4.48Å; K53-Y106 HydrophobicContact CG-CD2 4.13Å; L56-Y106 HydrophobicContact CD1-CE2 4.07Å; H104-Y106 VanDerWaalsContact C-N 3.26Å; H104-Y106 VanDerWaalsContact CB-O 3.29Å; H104-Y106 WeakPolarHBondContact CB-O 3.5Å; H104-Y106 PolarHBondContact O-N 3.21Å; Y106-T108 PolarHBondContact O-N 3.43Å
107	R	83	Confident	87.4	Confident	110 Å²	110	47.5 Å²	47.5	42%	0.415	26%	0.255	S	S	.	.			trans	-58.9	125.9	170.8	-171.6	176	169.6	176.8	-3.2	109.9	Y80 T111 D131	Y80-R107 HydrophobicContact CD1-CB 3.65Å; Y80-R107 HydrophobicContact CD1-CG 4.27Å; Y80-R107 HydrophobicContact CE1-CB 3.92Å; Y80-R107 HydrophobicContact CG-CB 4Å; R107-T111 HydrophobicContact CG-CG2 4.28Å; R107-D131 IonicContact CZ-OD1 2.95Å; R107-D131 IonicContact CZ-OD2 3.85Å; R107-D131 VanDerWaalsContact CZ-OD2 3.31Å; R107-D131 IonicContact NH1-OD1 2.69Å; R107-D131 IonicContact NH1-OD2 3.83Å; R107-D131 PolarHBondContact NH1-OD2 3.15Å; R107-D131 IonicContact NH2-OD1 2.74Å; R107-D131 PolarHBondContact NH2-OD1 2.89Å; R107-D131 IonicContact NH2-OD2 2.69Å; R107-D131 PolarHBondContact NH2-OD2 3.17Å
108	T	81.1	Confident	87	Confident	43 Å²	43	51 Å²	51	26%	0.264	27%	0.274	S	S	.	.			trans	-120.6	173.6	174.9	64.3	0	0	0	0	110.4	H104 Y106 K110 T111	H104-T108 PolarHBondContact CE1-OG1 2.97Å; H104-T108 PolarHBondContact ND1-OG1 3.23Å; Y106-T108 PolarHBondContact O-N 3.43Å; T108-K110 PolarHBondContact O-N 3.17Å; T108-K110 PolarHBondContact OG1-N 3.34Å; T108-T111 PolarHBondContact N-OG1 2.85Å; T108-T111 VanDerWaalsContact N-OG1 3.12Å; T108-T111 WeakPolarHBondContact O-CB 3.35Å; T108-T111 PolarHBondContact O-N 3.5Å; T108-T111 VanDerWaalsContact O-N 3.08Å; T108-T111 PolarHBondContact OG1-N 3.33Å
109	S	80.9	Confident	86.6	Confident	134 Å²	134	48 Å²	48	94%	0.937	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.3	168.5	47.2	0	0	0	0	113.5
110	K	83.3	Confident	85.6	Confident	153 Å²	153	48.3 Å²	48.3	67%	0.665	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.9	173.8	-63.9	-175.4	176.7	-175.1	0	113.7	S78 T108 T112	S78-K110 WeakPolarHBondContact CB-O 3.47Å; T108-K110 PolarHBondContact O-N 3.17Å; T108-K110 PolarHBondContact OG1-N 3.34Å; K110-T112 PolarHBondContact O-N 3Å; K110-T112 VanDerWaalsContact O-N 3.13Å
111	T	87.8	Confident	85	Confident	18 Å²	18	54.9 Å²	54.9	11%	0.11	28%	0.28	C	S	.	.			trans	-67.9	111.7	178.4	-68.5	0	0	0	0	110.2	H104 R107 T108 H113 V114	H104-T111 PolarHBondContact ND1-OG1 2.86Å; R107-T111 HydrophobicContact CG-CG2 4.28Å; T108-T111 PolarHBondContact N-OG1 2.85Å; T108-T111 VanDerWaalsContact N-OG1 3.12Å; T108-T111 WeakPolarHBondContact O-CB 3.35Å; T108-T111 PolarHBondContact O-N 3.5Å; T108-T111 VanDerWaalsContact O-N 3.08Å; T108-T111 PolarHBondContact OG1-N 3.33Å; T111-H113 VanDerWaalsContact CG2-O 3.26Å; T111-H113 WeakPolarHBondContact CG2-O 3.36Å; T111-V114 HydrophobicContact CG2-CG2 4.27Å
112	T	90.9	Very high	84.1	Confident	54 Å²	54	57.9 Å²	57.9	33%	0.331	30%	0.304	S	S	.	.			trans	-79.2	-36	178.3	65.8	0	0	0	0	113	S78 K110	S78-T112 PolarHBondContact N-OG1 2.67Å; S78-T112 PolarHBondContact O-N 2.83Å; S78-T112 PolarHBondContact O-OG1 3.03Å; K110-T112 PolarHBondContact O-N 3Å; K110-T112 VanDerWaalsContact O-N 3.13Å
113	H	93.3	Very high	83.2	Confident	7 Å²	7	58.4 Å²	58.4	3%	0.032	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.1	-174.5	-65	82.3	0	0	0	111.2	S78 V79 Y80 T111 K132 W138 E151	S78-H113 PolarHBondContact O-N 3.34Å; V79-H113 WeakPolarHBondContact CA-O 3.39Å; Y80-H113 PolarHBondContact N-O 2.8Å; T111-H113 VanDerWaalsContact CG2-O 3.26Å; T111-H113 WeakPolarHBondContact CG2-O 3.36Å; H113-K132 WeakPolarHBondContact NE2-CD 3.23Å; H113-W138 HydrophobicContact CB-CZ3 4.1Å; H113-W138 AromaticContact CD2-CH2 3.39Å; H113-W138 WeakPolarHBondContact CD2-CH2 3.34Å; H113-W138 AromaticContact CD2-CZ3 3.51Å; H113-W138 AromaticContact CE1-CH2 3.7Å; H113-W138 AromaticContact CG-CH2 3.8Å; H113-W138 AromaticContact CG-CZ3 3.7Å; H113-W138 AromaticContact ND1-CH2 3.96Å; H113-W138 AromaticContact NE2-CH2 3.34Å; H113-W138 VanDerWaalsContact NE2-CH2 3.34Å; H113-W138 WeakPolarHBondContact NE2-CH2 3.38Å; H113-W138 AromaticContact NE2-CZ3 3.99Å; H113-E151 IonicContact NE2-OE1 3.9Å; H113-E151 PolarHBondContact NE2-OE1 3.08Å
114	V	90.9	Very high	82.5	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.6	172.4	179.5	0	0	0	0	108.3	Y80 N82 T111 K132 V133 M134	Y80-V114 HydrophobicContact CD1-CG1 4.14Å; Y80-V114 HydrophobicContact CD1-CG2 4.3Å; Y80-V114 CarbonylContact O-C 3.47Å; Y80-V114 VanDerWaalsContact O-CA 3.29Å; Y80-V114 WeakPolarHBondContact O-CA 3.43Å; N82-V114 HydrophobicContact CB-CG1 3.78Å; T111-V114 HydrophobicContact CG2-CG2 4.27Å; V114-K132 PolarHBondContact N-O 2.98Å; V114-V133 HydrophobicContact CB-CG2 4.32Å; V114-V133 CarbonylContact O-C 3.45Å; V114-V133 VanDerWaalsContact O-CA 3.29Å; V114-V133 WeakPolarHBondContact O-CA 3.43Å; V114-M134 PolarHBondContact O-N 3.4Å
115	I	93.3	Very high	81.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.7	178.7	-48.9	-63.6	0	0	0	109.6	V79 Y80 V81 N82 T85 L92 M134 P136 W138 I139	V79-I115 HydrophobicContact CG1-CB 4.49Å; V79-I115 HydrophobicContact CG1-CD1 4.45Å; V79-I115 HydrophobicContact CG1-CG1 3.49Å; V79-I115 VanDerWaalsContact CG1-CG1 3.49Å; Y80-I115 PolarHBondContact O-N 2.95Å; V81-I115 CarbonylContact C-O 3.55Å; V81-I115 WeakPolarHBondContact CA-O 3.43Å; V81-I115 HydrophobicContact CG2-CB 4.21Å; N82-I115 PolarHBondContact N-O 3.12Å; T85-I115 HydrophobicContact CG2-CG2 4Å; L92-I115 HydrophobicContact CD1-CG2 4.12Å; I115-M134 WeakPolarHBondContact CA-O 3.37Å; I115-M134 HydrophobicContact CD1-CB 3.77Å; I115-M134 HydrophobicContact CD1-CG 4.08Å; I115-P136 HydrophobicContact CG2-CB 3.91Å; I115-W138 HydrophobicContact CD1-CE3 3.92Å; I115-W138 HydrophobicContact CD1-CZ3 4.33Å; I115-I139 HydrophobicContact CD1-CD1 3.9Å; I115-I139 HydrophobicContact CD1-CG1 4.42Å; I115-I139 HydrophobicContact CG1-CD1 3.76Å
116	A	88.9	Confident	81.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.354	C	S	.	.			trans	-152.5	151.5	176.6	0	0	0	0	0	109.9	N82 L119 M134 R135 P136 L156	N82-A116 VanDerWaalsContact O-CB 3.27Å; N82-A116 WeakPolarHBondContact O-CB 3.27Å; A116-L119 HydrophobicContact CB-CD2 3.68Å; A116-L119 HydrophobicContact CB-CG 3.94Å; A116-M134 PolarHBondContact N-O 2.89Å; A116-R135 WeakPolarHBondContact O-CA 3.29Å; A116-P136 WeakPolarHBondContact O-CD 3.38Å; A116-L156 HydrophobicContact CB-CD1 4.19Å; A116-L156 WeakPolarHBondContact O-CD1 3.42Å
117	A	86.2	Confident	80.8	Confident	45 Å²	45	64.3 Å²	64.3	37%	0.372	35%	0.349	S	S	.	.	S	Bend	trans	-77.2	-29.8	163.9	0	0	0	0	0	111.7	Y84	Y84-A117 HydrophobicContact CD1-CB 4.42Å; Y84-A117 VanDerWaalsContact O-CB 3.29Å; Y84-A117 WeakPolarHBondContact O-CB 3.12Å; Y84-A117 PolarHBondContact O-N 3.2Å
118	N	81.9	Confident	80.4	Confident	85 Å²	85	66.2 Å²	66.2	46%	0.455	36%	0.36	S	S	.	.			trans	-158	154	173.3	-178.5	36.2	0	0	0	109.2	Y157	N118-Y157 PolarHBondContact OD1-OH 3.2Å
119	L	78.4	Confident	79.8	Confident	6 Å²	6	72 Å²	72	3%	0.031	39%	0.385	C	S	.	.			trans	-118	129.8	165.2	-65.9	-180	0	0	0	110.4	N82 A116 K123 V124 L127 V133 Y157	N82-L119 HydrophobicContact CB-CD2 4.06Å; N82-L119 WeakPolarHBondContact ND2-CD2 3.41Å; A116-L119 HydrophobicContact CB-CD2 3.68Å; A116-L119 HydrophobicContact CB-CG 3.94Å; L119-K123 HydrophobicContact CB-CB 4.32Å; L119-K123 HydrophobicContact CD2-CD 4.23Å; L119-V124 HydrophobicContact CB-CG2 3.82Å; L119-V124 WeakPolarHBondContact O-CG2 3.37Å; L119-L127 HydrophobicContact CD1-CD1 4.25Å; L119-L127 HydrophobicContact CD1-CD2 4.22Å; L119-V133 HydrophobicContact CD1-CB 4.49Å; L119-V133 HydrophobicContact CD1-CG1 3.74Å; L119-V133 HydrophobicContact CD1-CG2 3.93Å; L119-V133 HydrophobicContact CG-CG1 4.28Å; L119-Y157 HydrophobicContact CB-CE2 4.19Å; L119-Y157 HydrophobicContact CD1-CE2 4.19Å; L119-Y157 HydrophobicContact CG-CE2 4.38Å; L119-Y157 PolarHBondContact N-OH 2.62Å; L119-Y157 VanDerWaalsContact N-OH 3.11Å; L119-Y157 PolarHBondContact O-OH 3.45Å
120	A	70.7	Confident	79.7	Confident	24 Å²	24	70.1 Å²	70.1	20%	0.198	37%	0.371	C	S	.	.			trans	-52	142.2	169.8	0	0	0	0	0	111.4	A122 K123 V124 E579	A120-A122 VanDerWaalsContact C-N 3.26Å; A120-A122 PolarHBondContact O-N 2.67Å; A120-A122 VanDerWaalsContact O-N 3.08Å; A120-K123 WeakPolarHBondContact O-CA 3.45Å; A120-K123 WeakPolarHBondContact O-CB 3.4Å; A120-K123 PolarHBondContact O-N 3.25Å; A120-V124 PolarHBondContact O-N 3.05Å; A120-E579 WeakPolarHBondContact CB-OE1 3.24Å
121	Y	71.9	Confident	79.5	Confident	178 Å²	178	63.7 Å²	63.7	70%	0.698	34%	0.344	S	S	*	.	H	α-helix	trans	-50.9	-40.1	-173.2	-172.6	-98.4	0	0	0	114.1	K123 V124 A125 L166	Y121-K123 PolarHBondContact O-N 2.91Å; Y121-V124 WeakPolarHBondContact O-CB 3.04Å; Y121-V124 PolarHBondContact O-N 3.49Å; Y121-A125 WeakPolarHBondContact O-CB 3.39Å; Y121-A125 PolarHBondContact O-N 2.85Å; Y121-L166 HydrophobicContact CE2-CD1 4.48Å
122	A	71.1	Confident	79.6	Confident	71 Å²	71	66.1 Å²	66.1	59%	0.587	35%	0.353	S	S	*	.	H	α-helix	trans	-67.7	-15	177	0	0	0	0	0	115.1	A120 K126	A120-A122 VanDerWaalsContact C-N 3.26Å; A120-A122 PolarHBondContact O-N 2.67Å; A120-A122 VanDerWaalsContact O-N 3.08Å; A122-K126 WeakPolarHBondContact O-CD 3.45Å; A122-K126 WeakPolarHBondContact O-CG 3.4Å
123	K	70.5	Confident	79.5	Confident	91 Å²	91	63.7 Å²	63.7	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-87.8	-39.5	166.2	-69.4	-179.4	176	178	0	111.1	N82 L119 A120 Y121 K126 L127	N82-K123 PolarHBondContact OD1-NZ 3.41Å; L119-K123 HydrophobicContact CB-CB 4.32Å; L119-K123 HydrophobicContact CD2-CD 4.23Å; A120-K123 WeakPolarHBondContact O-CA 3.45Å; A120-K123 WeakPolarHBondContact O-CB 3.4Å; A120-K123 PolarHBondContact O-N 3.25Å; Y121-K123 PolarHBondContact O-N 2.91Å; K123-K126 CarbonylContact O-C 3.56Å; K123-K126 PolarHBondContact O-N 3.39Å; K123-L127 PolarHBondContact O-N 2.99Å
124	V	76.3	Confident	79.4	Confident	35 Å²	35	63.4 Å²	63.4	21%	0.212	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-46.5	176.7	-176.3	0	0	0	0	110.8	L119 A120 Y121 K126 L127 Y157	L119-V124 HydrophobicContact CB-CG2 3.82Å; L119-V124 WeakPolarHBondContact O-CG2 3.37Å; A120-V124 PolarHBondContact O-N 3.05Å; Y121-V124 WeakPolarHBondContact O-CB 3.04Å; Y121-V124 PolarHBondContact O-N 3.49Å; V124-K126 PolarHBondContact O-N 3.5Å; V124-L127 HydrophobicContact CG1-CD1 4.29Å; V124-L127 WeakPolarHBondContact O-CB 3.4Å; V124-L127 WeakPolarHBondContact O-CG 3.45Å; V124-L127 PolarHBondContact O-N 3.46Å; V124-Y157 HydrophobicContact CG1-CD1 4.16Å; V124-Y157 HydrophobicContact CG1-CE1 4.12Å; V124-Y157 HydrophobicContact CG1-CG 4.4Å; V124-Y157 HydrophobicContact CG2-CE1 3.88Å; V124-Y157 HydrophobicContact CG2-CE2 3.9Å; V124-Y157 VanDerWaalsContact CG2-CZ 3.46Å; V124-Y157 WeakPolarHBondContact CG2-OH 3.43Å
125	A	71.6	Confident	79.5	Confident	74 Å²	74	67 Å²	67	61%	0.612	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-3.3	175.4	0	0	0	0	0	114.7	Y121	Y121-A125 WeakPolarHBondContact O-CB 3.39Å; Y121-A125 PolarHBondContact O-N 2.85Å
126	K	73.1	Confident	79.5	Confident	173 Å²	173	67 Å²	67	75%	0.752	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	5.2	174.7	-65.6	-177	-179.2	-175.3	0	112.9	A122 K123 V124	A122-K126 WeakPolarHBondContact O-CD 3.45Å; A122-K126 WeakPolarHBondContact O-CG 3.4Å; K123-K126 CarbonylContact O-C 3.56Å; K123-K126 PolarHBondContact O-N 3.39Å; V124-K126 PolarHBondContact O-N 3.5Å
127	L	72.4	Confident	79.7	Confident	44 Å²	44	70.4 Å²	70.4	23%	0.23	37%	0.366	C	S	.	.			trans	-73.8	139.4	170.9	-63.6	172.6	0	0	0	109.8	L119 K123 V124 D131 V133 Y157	L119-L127 HydrophobicContact CD1-CD1 4.25Å; L119-L127 HydrophobicContact CD1-CD2 4.22Å; K123-L127 PolarHBondContact O-N 2.99Å; V124-L127 HydrophobicContact CG1-CD1 4.29Å; V124-L127 WeakPolarHBondContact O-CB 3.4Å; V124-L127 WeakPolarHBondContact O-CG 3.45Å; V124-L127 PolarHBondContact O-N 3.46Å; L127-D131 VanDerWaalsContact CA-OD2 3.32Å; L127-D131 WeakPolarHBondContact CA-OD2 3.3Å; L127-D131 HydrophobicContact CB-CB 4.26Å; L127-D131 HydrophobicContact CD2-CB 4.04Å; L127-D131 WeakPolarHBondContact CD2-OD2 3.47Å; L127-V133 HydrophobicContact CD1-CG2 3.63Å; L127-V133 HydrophobicContact CD2-CG2 3.59Å; L127-V133 HydrophobicContact CG-CG2 4.27Å; L127-Y157 HydrophobicContact CD1-CD2 3.93Å; L127-Y157 HydrophobicContact CD1-CE2 4.3Å
128	K	74.6	Confident	80.1	Confident	150 Å²	150	68.3 Å²	68.3	65%	0.652	35%	0.348	S	S	*	.			trans	-80.4	155.9	163.4	-61.2	-172.3	177.6	-171.2	0	109.1	S130 D131	K128-S130 PolarHBondContact O-N 3.21Å; K128-D131 VanDerWaalsContact N-CG 3.35Å; K128-D131 PolarHBondContact N-OD2 2.88Å; K128-D131 WeakPolarHBondContact O-CB 3.34Å; K128-D131 PolarHBondContact O-N 3.1Å
129	E	68.6	Low	80.7	Confident	166 Å²	166	64.2 Å²	64.2	78%	0.776	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.7	177.7	-171.5	162.3	-148.1	0	0	113	D131 R155	E129-D131 VanDerWaalsContact C-N 3.25Å; E129-D131 PolarHBondContact O-N 3.45Å; E129-R155 PolarHBondContact O-NH2 2.99Å; E129-R155 VanDerWaalsContact O-NH2 3.08Å
130	S	77.1	Confident	81.4	Confident	94 Å²	94	65.6 Å²	65.6	66%	0.657	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.9	169.8	52.9	0	0	0	0	114.7	K128 K132	K128-S130 PolarHBondContact O-N 3.21Å; S130-K132 PolarHBondContact O-N 3.22Å
131	D	80.1	Confident	82.4	Confident	18 Å²	18	67.5 Å²	67.5	10%	0.096	34%	0.34	C	S	.	.			trans	-75.6	119.6	-178.2	-68.5	-8.8	0	0	0	111.4	R107 L127 K128 E129 V133 R155	R107-D131 IonicContact CZ-OD1 2.95Å; R107-D131 IonicContact CZ-OD2 3.85Å; R107-D131 VanDerWaalsContact CZ-OD2 3.31Å; R107-D131 IonicContact NH1-OD1 2.69Å; R107-D131 IonicContact NH1-OD2 3.83Å; R107-D131 PolarHBondContact NH1-OD2 3.15Å; R107-D131 IonicContact NH2-OD1 2.74Å; R107-D131 PolarHBondContact NH2-OD1 2.89Å; R107-D131 IonicContact NH2-OD2 2.69Å; R107-D131 PolarHBondContact NH2-OD2 3.17Å; L127-D131 VanDerWaalsContact CA-OD2 3.32Å; L127-D131 WeakPolarHBondContact CA-OD2 3.3Å; L127-D131 HydrophobicContact CB-CB 4.26Å; L127-D131 HydrophobicContact CD2-CB 4.04Å; L127-D131 WeakPolarHBondContact CD2-OD2 3.47Å; K128-D131 VanDerWaalsContact N-CG 3.35Å; K128-D131 PolarHBondContact N-OD2 2.88Å; K128-D131 WeakPolarHBondContact O-CB 3.34Å; K128-D131 PolarHBondContact O-N 3.1Å; E129-D131 VanDerWaalsContact C-N 3.25Å; E129-D131 PolarHBondContact O-N 3.45Å; D131-V133 PolarHBondContact O-N 2.89Å; D131-R155 PolarHBondContact O-NH2 3.32Å
132	K	88.8	Confident	83.5	Confident	68 Å²	68	59 Å²	59	30%	0.296	31%	0.307	S	S	.	.			trans	-89.5	86.8	175.8	-60.7	-173.7	175.9	-163.8	0	110.4	H113 V114 S130 M134 E151	H113-K132 WeakPolarHBondContact NE2-CD 3.23Å; V114-K132 PolarHBondContact N-O 2.98Å; S130-K132 PolarHBondContact O-N 3.22Å; K132-M134 HydrophobicContact CB-SD 3.96Å; K132-E151 VanDerWaalsContact CD-OE2 3.32Å; K132-E151 WeakPolarHBondContact CD-OE2 3.43Å; K132-E151 WeakPolarHBondContact CE-OE2 3.33Å; K132-E151 IonicContact NZ-OE1 3.71Å; K132-E151 PolarHBondContact NZ-OE1 3.14Å; K132-E151 IonicContact NZ-OE2 2.66Å; K132-E151 PolarHBondContact NZ-OE2 2.9Å
133	V	90	Very high	84.4	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.1	171.3	-172.4	0	0	0	0	109.9	V114 L119 L127 D131 R155 L156 Y157	V114-V133 HydrophobicContact CB-CG2 4.32Å; V114-V133 CarbonylContact O-C 3.45Å; V114-V133 VanDerWaalsContact O-CA 3.29Å; V114-V133 WeakPolarHBondContact O-CA 3.43Å; L119-V133 HydrophobicContact CD1-CB 4.49Å; L119-V133 HydrophobicContact CD1-CG1 3.74Å; L119-V133 HydrophobicContact CD1-CG2 3.93Å; L119-V133 HydrophobicContact CG-CG1 4.28Å; L127-V133 HydrophobicContact CD1-CG2 3.63Å; L127-V133 HydrophobicContact CD2-CG2 3.59Å; L127-V133 HydrophobicContact CG-CG2 4.27Å; D131-V133 PolarHBondContact O-N 2.89Å; V133-R155 CarbonylContact O-C 3.57Å; V133-R155 WeakPolarHBondContact O-CA 3.5Å; V133-R155 WeakPolarHBondContact O-CG 3.43Å; V133-L156 HydrophobicContact CB-CB 4.38Å; V133-L156 HydrophobicContact CG1-CB 3.88Å; V133-L156 HydrophobicContact CG1-CD1 4.05Å; V133-L156 PolarHBondContact O-N 3.11Å; V133-Y157 HydrophobicContact CB-CD2 4.19Å; V133-Y157 HydrophobicContact CG1-CD2 4.3Å; V133-Y157 HydrophobicContact CG1-CE2 4.15Å
134	M	91.9	Very high	85.4	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.8	-176.1	-34.4	-54.2	-66.5	0	0	110.8	V114 I115 A116 K132 W138 E151 Y154 R155	V114-M134 PolarHBondContact O-N 3.4Å; I115-M134 WeakPolarHBondContact CA-O 3.37Å; I115-M134 HydrophobicContact CD1-CB 3.77Å; I115-M134 HydrophobicContact CD1-CG 4.08Å; A116-M134 PolarHBondContact N-O 2.89Å; K132-M134 HydrophobicContact CB-SD 3.96Å; M134-W138 HydrophobicContact CB-CB 4.3Å; M134-W138 HydrophobicContact CB-CD2 4.36Å; M134-W138 HydrophobicContact CB-CE3 4Å; M134-W138 HydrophobicContact CE-CD2 4.47Å; M134-W138 HydrophobicContact CG-CD2 4.24Å; M134-W138 HydrophobicContact CG-CE3 3.73Å; M134-W138 HydrophobicContact CG-CZ3 4.04Å; M134-E151 HydrophobicContact CE-CB 3.6Å; M134-E151 HydrophobicContact CE-CG 4.1Å; M134-E151 WeakPolarHBondContact CE-O 3.27Å; M134-Y154 CarbonylContact C-O 3.56Å; M134-Y154 WeakPolarHBondContact CA-O 3.49Å; M134-R155 HydrophobicContact CE-CB 4.14Å; M134-R155 HydrophobicContact CE-CG 4.46Å; M134-R155 HydrophobicContact SD-CB 4.48Å; M134-R155 HydrophobicContact SD-CG 4.2Å
135	R	92.7	Very high	85.9	Confident	81 Å²	81	61.2 Å²	61.2	31%	0.306	31%	0.314	S	S	.	.			trans	-70.5	150.6	166.7	-59.7	-171.8	-49.9	-89.3	-0.4	110.8	A116 E137 W138 L153 Y154 L156	A116-R135 WeakPolarHBondContact O-CA 3.29Å; R135-E137 WeakPolarHBondContact CB-OE2 3.44Å; R135-E137 IonicContact CZ-OE2 2.67Å; R135-E137 IonicContact NE-OE2 2.73Å; R135-E137 PolarHBondContact NE-OE2 3.36Å; R135-E137 IonicContact NH2-OE2 2.7Å; R135-E137 PolarHBondContact O-N 2.89Å; R135-W138 WeakPolarHBondContact O-CB 3.44Å; R135-W138 PolarHBondContact O-N 3.19Å; R135-W138 VanDerWaalsContact O-N 3.12Å; R135-L153 PolarHBondContact NH1-O 2.6Å; R135-L153 PolarHBondContact NH2-O 2.82Å; R135-Y154 PolarHBondContact N-O 2.86Å; R135-L156 HydrophobicContact CG-CB 4.45Å; R135-L156 HydrophobicContact CG-CD1 4.18Å; R135-L156 HydrophobicContact CG-CG 3.84Å
136	P	92.8	Very high	86.7	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24	-176.7	27.1	-36.8	0	0	0	113.8	T85 E86 L92 I115 A116 W138 I139	T85-P136 HydrophobicContact CG2-CB 4.02Å; T85-P136 HydrophobicContact CG2-CG 4.23Å; E86-P136 VanDerWaalsContact O-CB 3.3Å; E86-P136 WeakPolarHBondContact O-CB 3.18Å; E86-P136 WeakPolarHBondContact O-CG 3.2Å; L92-P136 HydrophobicContact CD1-CB 4Å; L92-P136 HydrophobicContact CD2-CB 4.39Å; I115-P136 HydrophobicContact CG2-CB 3.91Å; A116-P136 WeakPolarHBondContact O-CD 3.38Å; P136-W138 PolarHBondContact O-N 2.86Å; P136-W138 VanDerWaalsContact O-N 3.1Å; P136-I139 PolarHBondContact O-N 3.39Å
137	E	92.8	Very high	87.6	Confident	71 Å²	71	53.8 Å²	53.8	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-63.1	-18	177.1	-40.4	86	-150	0	0	112.8	R135 I139 T140 E141 Y154	R135-E137 WeakPolarHBondContact CB-OE2 3.44Å; R135-E137 IonicContact CZ-OE2 2.67Å; R135-E137 IonicContact NE-OE2 2.73Å; R135-E137 PolarHBondContact NE-OE2 3.36Å; R135-E137 IonicContact NH2-OE2 2.7Å; R135-E137 PolarHBondContact O-N 2.89Å; E137-I139 PolarHBondContact O-N 2.88Å; E137-T140 WeakPolarHBondContact CA-OG1 3.29Å; E137-T140 PolarHBondContact O-N 2.85Å; E137-T140 PolarHBondContact O-OG1 3.38Å; E137-E141 HydrophobicContact CB-CG 4.41Å; E137-E141 VanDerWaalsContact O-CB 3.26Å; E137-E141 WeakPolarHBondContact O-CB 3.5Å; E137-E141 WeakPolarHBondContact O-CG 3.27Å; E137-E141 PolarHBondContact O-N 2.86Å; E137-Y154 HydrophobicContact CB-CD1 4.17Å; E137-Y154 HydrophobicContact CB-CE1 3.99Å
138	W	94.6	Very high	88.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-39.4	173	-174.1	45.9	0	0	0	111.9	I77 H113 I115 M134 R135 P136 S142 L148 L149 E151 Y154	I77-W138 HydrophobicContact CD1-CH2 3.95Å; I77-W138 HydrophobicContact CD1-CZ2 4.42Å; I77-W138 HydrophobicContact CG2-CH2 4.31Å; I77-W138 HydrophobicContact CG2-CZ3 4.39Å; H113-W138 HydrophobicContact CB-CZ3 4.1Å; H113-W138 AromaticContact CD2-CH2 3.39Å; H113-W138 WeakPolarHBondContact CD2-CH2 3.34Å; H113-W138 AromaticContact CD2-CZ3 3.51Å; H113-W138 AromaticContact CE1-CH2 3.7Å; H113-W138 AromaticContact CG-CH2 3.8Å; H113-W138 AromaticContact CG-CZ3 3.7Å; H113-W138 AromaticContact ND1-CH2 3.96Å; H113-W138 AromaticContact NE2-CH2 3.34Å; H113-W138 VanDerWaalsContact NE2-CH2 3.34Å; H113-W138 WeakPolarHBondContact NE2-CH2 3.38Å; H113-W138 AromaticContact NE2-CZ3 3.99Å; I115-W138 HydrophobicContact CD1-CE3 3.92Å; I115-W138 HydrophobicContact CD1-CZ3 4.33Å; M134-W138 HydrophobicContact CB-CB 4.3Å; M134-W138 HydrophobicContact CB-CD2 4.36Å; M134-W138 HydrophobicContact CB-CE3 4Å; M134-W138 HydrophobicContact CE-CD2 4.47Å; M134-W138 HydrophobicContact CG-CD2 4.24Å; M134-W138 HydrophobicContact CG-CE3 3.73Å; M134-W138 HydrophobicContact CG-CZ3 4.04Å; R135-W138 WeakPolarHBondContact O-CB 3.44Å; R135-W138 PolarHBondContact O-N 3.19Å; R135-W138 VanDerWaalsContact O-N 3.12Å; P136-W138 PolarHBondContact O-N 2.86Å; P136-W138 VanDerWaalsContact O-N 3.1Å; W138-S142 WeakPolarHBondContact O-CB 3.2Å; W138-S142 PolarHBondContact O-N 2.84Å; W138-S142 PolarHBondContact O-OG 2.97Å; W138-L148 HydrophobicContact CH2-CD1 4.27Å; W138-L148 HydrophobicContact CZ2-CD1 3.67Å; W138-L148 HydrophobicContact CZ2-CD2 4.47Å; W138-L148 HydrophobicContact CZ2-CG 4.23Å; W138-L149 PolarHBondContact NE1-O 3.31Å; W138-E151 HydrophobicContact CH2-CG 4.45Å; W138-E151 HydrophobicContact CZ2-CG 3.73Å; W138-Y154 HydrophobicContact CB-CD1 3.94Å; W138-Y154 HydrophobicContact CB-CD2 4.24Å; W138-Y154 HydrophobicContact CB-CG 3.67Å; W138-Y154 AromaticContact CD1-CD2 3.48Å; W138-Y154 VanDerWaalsContact CD1-CD2 3.48Å; W138-Y154 AromaticContact CD1-CG 3.82Å; W138-Y154 HydrophobicContact CG-CD2 4.19Å; W138-Y154 HydrophobicContact CG-CG 4.07Å; W138-Y154 VanDerWaalsContact N-CD1 3.31Å
139	I	93.7	Very high	89.2	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-76.8	-49.8	-179.3	-68.2	170	0	0	0	109.7	F74 L92 L95 I96 I115 P136 E137 S142 V143	F74-I139 HydrophobicContact CE1-CG1 4.44Å; F74-I139 HydrophobicContact CE2-CG2 4.09Å; F74-I139 HydrophobicContact CZ-CB 4.23Å; F74-I139 HydrophobicContact CZ-CG1 4.34Å; F74-I139 HydrophobicContact CZ-CG2 3.86Å; L92-I139 HydrophobicContact CD2-CB 4.03Å; L92-I139 HydrophobicContact CD2-CD1 4.12Å; L92-I139 HydrophobicContact CD2-CG2 4Å; L95-I139 HydrophobicContact CB-CG2 4.04Å; L95-I139 HydrophobicContact CD1-CG2 4.31Å; I96-I139 HydrophobicContact CD1-CD1 3.76Å; I96-I139 HydrophobicContact CG1-CD1 3.86Å; I96-I139 HydrophobicContact CG1-CG2 4.36Å; I115-I139 HydrophobicContact CD1-CD1 3.9Å; I115-I139 HydrophobicContact CD1-CG1 4.42Å; I115-I139 HydrophobicContact CG1-CD1 3.76Å; P136-I139 PolarHBondContact O-N 3.39Å; E137-I139 PolarHBondContact O-N 2.88Å; I139-S142 PolarHBondContact O-N 2.84Å; I139-V143 WeakPolarHBondContact O-CG2 3.42Å; I139-V143 PolarHBondContact O-N 3.02Å
140	T	93.9	Very high	90.1	Very high	35 Å²	35	45.2 Å²	45.2	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-43.5	-176.2	55.1	0	0	0	0	112.3	P87 L95 E137 V143 K144	P87-T140 VanDerWaalsContact CD-CG2 3.48Å; P87-T140 HydrophobicContact CG-CG2 3.62Å; L95-T140 HydrophobicContact CD1-CG2 4.09Å; E137-T140 WeakPolarHBondContact CA-OG1 3.29Å; E137-T140 PolarHBondContact O-N 2.85Å; E137-T140 PolarHBondContact O-OG1 3.38Å; T140-V143 PolarHBondContact O-N 2.84Å; T140-K144 WeakPolarHBondContact O-CB 3.37Å; T140-K144 PolarHBondContact O-N 2.87Å
141	E	92.9	Very high	90.7	Very high	64 Å²	64	43.6 Å²	43.6	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-72.3	-31	177.8	-62.8	-63.9	121.5	0	0	111.9	E137 K144 A145 L149 Y154	E137-E141 HydrophobicContact CB-CG 4.41Å; E137-E141 VanDerWaalsContact O-CB 3.26Å; E137-E141 WeakPolarHBondContact O-CB 3.5Å; E137-E141 WeakPolarHBondContact O-CG 3.27Å; E137-E141 PolarHBondContact O-N 2.86Å; E141-K144 PolarHBondContact O-N 3.07Å; E141-K144 VanDerWaalsContact OE1-CD 3.27Å; E141-K144 WeakPolarHBondContact OE1-CD 3.45Å; E141-K144 IonicContact OE1-NZ 3.43Å; E141-K144 PolarHBondContact OE1-NZ 2.73Å; E141-K144 IonicContact OE2-NZ 2.65Å; E141-K144 PolarHBondContact OE2-NZ 2.96Å; E141-A145 WeakPolarHBondContact O-CB 3.49Å; E141-A145 PolarHBondContact O-N 3.46Å; E141-L149 VanDerWaalsContact C-CD1 3.49Å; E141-L149 HydrophobicContact CB-CD1 3.66Å; E141-L149 WeakPolarHBondContact O-CD1 3.29Å; E141-Y154 HydrophobicContact CB-CE1 4.41Å; E141-Y154 WeakPolarHBondContact CB-OH 3.32Å; E141-Y154 HydrophobicContact CG-CE1 4.49Å
142	S	93.3	Very high	90.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-39.7	171	-63.4	0	0	0	0	112.6	W138 I139 G146 C147 L149	W138-S142 WeakPolarHBondContact O-CB 3.2Å; W138-S142 PolarHBondContact O-N 2.84Å; W138-S142 PolarHBondContact O-OG 2.97Å; I139-S142 PolarHBondContact O-N 2.84Å; S142-G146 PolarHBondContact O-N 3.04Å; S142-C147 CarbonylContact C-O 3.29Å; S142-C147 VanDerWaalsContact CA-O 3.3Å; S142-C147 WeakPolarHBondContact CA-O 3.14Å; S142-C147 WeakPolarHBondContact CB-O 3.45Å; S142-C147 PolarHBondContact O-N 3.34Å; S142-C147 VanDerWaalsContact O-N 3.16Å; S142-C147 VanDerWaalsContact O-O 3.05Å; S142-L149 PolarHBondContact OG-N 2.99Å
143	V	91.6	Very high	90.7	Very high	34 Å²	34	53.1 Å²	53.1	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-44.2	173.9	171.2	0	0	0	0	111.1	F74 L95 I139 T140 G146	F74-V143 HydrophobicContact CE2-CG2 3.64Å; F74-V143 HydrophobicContact CZ-CG2 3.92Å; L95-V143 HydrophobicContact CB-CG2 4.45Å; L95-V143 HydrophobicContact CD2-CG1 4.32Å; I139-V143 WeakPolarHBondContact O-CG2 3.42Å; I139-V143 PolarHBondContact O-N 3.02Å; T140-V143 PolarHBondContact O-N 2.84Å; V143-G146 WeakPolarHBondContact O-CA 3.13Å; V143-G146 PolarHBondContact O-N 3.05Å; V143-G146 VanDerWaalsContact O-N 3.08Å
144	K	89.8	Confident	90.7	Very high	152 Å²	152	54.5 Å²	54.5	66%	0.661	28%	0.277	S	S	*	.	H	α-helix	trans	-67.7	-37.6	-179.7	179.6	-175.6	167.6	-154.6	0	113.1	T140 E141 G146	T140-K144 WeakPolarHBondContact O-CB 3.37Å; T140-K144 PolarHBondContact O-N 2.87Å; E141-K144 PolarHBondContact O-N 3.07Å; E141-K144 VanDerWaalsContact OE1-CD 3.27Å; E141-K144 WeakPolarHBondContact OE1-CD 3.45Å; E141-K144 IonicContact OE1-NZ 3.43Å; E141-K144 PolarHBondContact OE1-NZ 2.73Å; E141-K144 IonicContact OE2-NZ 2.65Å; E141-K144 PolarHBondContact OE2-NZ 2.96Å; K144-G146 VanDerWaalsContact C-N 3.27Å
145	A	88.4	Confident	90.5	Very high	57 Å²	57	58.6 Å²	58.6	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-73.4	-19.5	169.8	0	0	0	0	0	112.6	E141 C147 L149	E141-A145 WeakPolarHBondContact O-CB 3.49Å; E141-A145 PolarHBondContact O-N 3.46Å; A145-C147 VanDerWaalsContact C-N 3.25Å; A145-C147 PolarHBondContact O-N 3.2Å; A145-L149 HydrophobicContact CB-CD1 4.28Å; A145-L149 HydrophobicContact CB-CD2 3.97Å; A145-L149 HydrophobicContact CB-CG 4.26Å
146	G	88.1	Confident	89.9	Confident	22 Å²	22	56.6 Å²	56.6	23%	0.227	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	8	-177.8	0	0	0	0	0	114.7	S142 V143 K144	S142-G146 PolarHBondContact O-N 3.04Å; V143-G146 WeakPolarHBondContact O-CA 3.13Å; V143-G146 PolarHBondContact O-N 3.05Å; V143-G146 VanDerWaalsContact O-N 3.08Å; K144-G146 VanDerWaalsContact C-N 3.27Å
147	C	91.1	Very high	89	Confident	68 Å²	68	58.7 Å²	58.7	46%	0.459	30%	0.296	S	S	.	.	S	Bend	trans	-146.4	156.1	-179.1	64.1	0	0	0	0	110.5	S142 A145 L149	S142-C147 CarbonylContact C-O 3.29Å; S142-C147 VanDerWaalsContact CA-O 3.3Å; S142-C147 WeakPolarHBondContact CA-O 3.14Å; S142-C147 WeakPolarHBondContact CB-O 3.45Å; S142-C147 PolarHBondContact O-N 3.34Å; S142-C147 VanDerWaalsContact O-N 3.16Å; S142-C147 VanDerWaalsContact O-O 3.05Å; A145-C147 VanDerWaalsContact C-N 3.25Å; A145-C147 PolarHBondContact O-N 3.2Å; C147-L149 PolarHBondContact O-N 3.21Å
148	L	91	Very high	87.3	Confident	75 Å²	75	59.9 Å²	59.9	39%	0.393	31%	0.313	S	S	.	.			trans	-70.4	115.6	-179.4	-171	71.7	0	0	0	111.1	I73 F74 I77 W138	I73-L148 HydrophobicContact CG2-CB 4.36Å; F74-L148 HydrophobicContact CD1-CD1 3.69Å; F74-L148 HydrophobicContact CE1-CD1 3.73Å; I77-L148 HydrophobicContact CD1-CD1 3.7Å; I77-L148 HydrophobicContact CD1-CD2 3.56Å; I77-L148 HydrophobicContact CD1-CG 4.29Å; W138-L148 HydrophobicContact CH2-CD1 4.27Å; W138-L148 HydrophobicContact CZ2-CD1 3.67Å; W138-L148 HydrophobicContact CZ2-CD2 4.47Å; W138-L148 HydrophobicContact CZ2-CG 4.23Å
149	L	90.4	Very high	85.1	Confident	39 Å²	39	64.5 Å²	64.5	20%	0.204	35%	0.345	C	S	.	.			trans	-79.2	151.8	-178.2	-65.8	177.2	0	0	0	112.3	W138 E141 S142 A145 C147 E151 Y154	W138-L149 PolarHBondContact NE1-O 3.31Å; E141-L149 VanDerWaalsContact C-CD1 3.49Å; E141-L149 HydrophobicContact CB-CD1 3.66Å; E141-L149 WeakPolarHBondContact O-CD1 3.29Å; S142-L149 PolarHBondContact OG-N 2.99Å; A145-L149 HydrophobicContact CB-CD1 4.28Å; A145-L149 HydrophobicContact CB-CD2 3.97Å; A145-L149 HydrophobicContact CB-CG 4.26Å; C147-L149 PolarHBondContact O-N 3.21Å; L149-E151 PolarHBondContact O-N 3.05Å; L149-E151 VanDerWaalsContact O-N 3.15Å; L149-Y154 HydrophobicContact CB-CE2 3.91Å; L149-Y154 HydrophobicContact CD1-CE2 4.2Å; L149-Y154 VanDerWaalsContact CD1-OH 3.3Å; L149-Y154 WeakPolarHBondContact CD1-OH 3.09Å
150	P	87.9	Confident	82.3	Confident	67 Å²	67	68.6 Å²	68.6	44%	0.435	37%	0.372	S	S	.	.			trans	-59.9	117.7	-175.8	-25.6	35.2	0	0	0	113.3	R152 L153	P150-R152 HydrophobicContact CB-CG 4.24Å; P150-R152 PolarHBondContact O-N 2.79Å; P150-L153 HydrophobicContact CB-CD1 4.41Å; P150-L153 HydrophobicContact CB-CG 4.49Å; P150-L153 PolarHBondContact O-N 3.33Å
151	E	87.9	Confident	79.3	Confident	60 Å²	60	75.3 Å²	75.3	28%	0.28	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-43.3	-43.5	-179.4	-69.2	172.1	-156.1	0	0	113.4	H113 K132 M134 W138 L149 L153 Y154 R155	H113-E151 IonicContact NE2-OE1 3.9Å; H113-E151 PolarHBondContact NE2-OE1 3.08Å; K132-E151 VanDerWaalsContact CD-OE2 3.32Å; K132-E151 WeakPolarHBondContact CD-OE2 3.43Å; K132-E151 WeakPolarHBondContact CE-OE2 3.33Å; K132-E151 IonicContact NZ-OE1 3.71Å; K132-E151 PolarHBondContact NZ-OE1 3.14Å; K132-E151 IonicContact NZ-OE2 2.66Å; K132-E151 PolarHBondContact NZ-OE2 2.9Å; M134-E151 HydrophobicContact CE-CB 3.6Å; M134-E151 HydrophobicContact CE-CG 4.1Å; M134-E151 WeakPolarHBondContact CE-O 3.27Å; W138-E151 HydrophobicContact CH2-CG 4.45Å; W138-E151 HydrophobicContact CZ2-CG 3.73Å; L149-E151 PolarHBondContact O-N 3.05Å; L149-E151 VanDerWaalsContact O-N 3.15Å; E151-L153 PolarHBondContact O-N 2.92Å; E151-Y154 CarbonylContact O-C 3.48Å; E151-Y154 PolarHBondContact O-N 2.92Å; E151-R155 PolarHBondContact O-N 3.3Å
152	R	86	Confident	76.3	Confident	199 Å²	199	78.8 Å²	78.8	75%	0.751	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-53.4	-24.5	-177.5	70	-179	-177.1	87.6	-1	115.2	P150	P150-R152 HydrophobicContact CB-CG 4.24Å; P150-R152 PolarHBondContact O-N 2.79Å
153	L	83.7	Confident	73.6	Confident	86 Å²	86	83 Å²	83	45%	0.45	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-81.6	-20.2	179.5	-56.6	176.6	0	0	0	112.5	R135 P150 E151	R135-L153 PolarHBondContact NH1-O 2.6Å; R135-L153 PolarHBondContact NH2-O 2.82Å; P150-L153 HydrophobicContact CB-CD1 4.41Å; P150-L153 HydrophobicContact CB-CG 4.49Å; P150-L153 PolarHBondContact O-N 3.33Å; E151-L153 PolarHBondContact O-N 2.92Å
154	Y	90.1	Very high	70.8	Confident	32 Å²	32	84.6 Å²	84.6	13%	0.125	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-4.3	-173.2	-58.4	-92.4	0	0	0	114	M134 R135 E137 W138 E141 L149 E151 L156	M134-Y154 CarbonylContact C-O 3.56Å; M134-Y154 WeakPolarHBondContact CA-O 3.49Å; R135-Y154 PolarHBondContact N-O 2.86Å; E137-Y154 HydrophobicContact CB-CD1 4.17Å; E137-Y154 HydrophobicContact CB-CE1 3.99Å; W138-Y154 HydrophobicContact CB-CD1 3.94Å; W138-Y154 HydrophobicContact CB-CD2 4.24Å; W138-Y154 HydrophobicContact CB-CG 3.67Å; W138-Y154 AromaticContact CD1-CD2 3.48Å; W138-Y154 VanDerWaalsContact CD1-CD2 3.48Å; W138-Y154 AromaticContact CD1-CG 3.82Å; W138-Y154 HydrophobicContact CG-CD2 4.19Å; W138-Y154 HydrophobicContact CG-CG 4.07Å; W138-Y154 VanDerWaalsContact N-CD1 3.31Å; E141-Y154 HydrophobicContact CB-CE1 4.41Å; E141-Y154 WeakPolarHBondContact CB-OH 3.32Å; E141-Y154 HydrophobicContact CG-CE1 4.49Å; L149-Y154 HydrophobicContact CB-CE2 3.91Å; L149-Y154 HydrophobicContact CD1-CE2 4.2Å; L149-Y154 VanDerWaalsContact CD1-OH 3.3Å; L149-Y154 WeakPolarHBondContact CD1-OH 3.09Å; E151-Y154 CarbonylContact O-C 3.48Å; E151-Y154 PolarHBondContact O-N 2.92Å; Y154-L156 PolarHBondContact O-N 3.19Å
155	R	87.3	Confident	67.9	Low	87 Å²	87	86.2 Å²	86.2	33%	0.328	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-60.2	132.9	175.5	-151.5	176.5	-174.3	171	-1.4	109.4	E129 D131 V133 M134 E151 Y157	E129-R155 PolarHBondContact O-NH2 2.99Å; E129-R155 VanDerWaalsContact O-NH2 3.08Å; D131-R155 PolarHBondContact O-NH2 3.32Å; V133-R155 CarbonylContact O-C 3.57Å; V133-R155 WeakPolarHBondContact O-CA 3.5Å; V133-R155 WeakPolarHBondContact O-CG 3.43Å; M134-R155 HydrophobicContact CE-CB 4.14Å; M134-R155 HydrophobicContact CE-CG 4.46Å; M134-R155 HydrophobicContact SD-CB 4.48Å; M134-R155 HydrophobicContact SD-CG 4.2Å; E151-R155 PolarHBondContact O-N 3.3Å; R155-Y157 WeakPolarHBondContact CD-O 3.42Å; R155-Y157 WeakPolarHBondContact CG-O 3.37Å
156	L	79.7	Confident	65.3	Low	40 Å²	40	90 Å²	90	21%	0.209	50%	0.501	C	S	.	.	S	Bend	trans	-82.6	-29	-173.6	-138.4	163.7	0	0	0	111.7	A116 V133 R135 Y154	A116-L156 HydrophobicContact CB-CD1 4.19Å; A116-L156 WeakPolarHBondContact O-CD1 3.42Å; V133-L156 HydrophobicContact CB-CB 4.38Å; V133-L156 HydrophobicContact CG1-CB 3.88Å; V133-L156 HydrophobicContact CG1-CD1 4.05Å; V133-L156 PolarHBondContact O-N 3.11Å; R135-L156 HydrophobicContact CG-CB 4.45Å; R135-L156 HydrophobicContact CG-CD1 4.18Å; R135-L156 HydrophobicContact CG-CG 3.84Å; Y154-L156 PolarHBondContact O-N 3.19Å
157	Y	74.8	Confident	62.8	Low	45 Å²	45	95.8 Å²	95.8	18%	0.176	53%	0.527	C	S	.	.	S	Bend	trans	-127.9	123.5	175.2	-53.7	-74.4	0	0	0	109	N118 L119 V124 L127 V133 R155	N118-Y157 PolarHBondContact OD1-OH 3.2Å; L119-Y157 HydrophobicContact CB-CE2 4.19Å; L119-Y157 HydrophobicContact CD1-CE2 4.19Å; L119-Y157 HydrophobicContact CG-CE2 4.38Å; L119-Y157 PolarHBondContact N-OH 2.62Å; L119-Y157 VanDerWaalsContact N-OH 3.11Å; L119-Y157 PolarHBondContact O-OH 3.45Å; V124-Y157 HydrophobicContact CG1-CD1 4.16Å; V124-Y157 HydrophobicContact CG1-CE1 4.12Å; V124-Y157 HydrophobicContact CG1-CG 4.4Å; V124-Y157 HydrophobicContact CG2-CE1 3.88Å; V124-Y157 HydrophobicContact CG2-CE2 3.9Å; V124-Y157 VanDerWaalsContact CG2-CZ 3.46Å; V124-Y157 WeakPolarHBondContact CG2-OH 3.43Å; L127-Y157 HydrophobicContact CD1-CD2 3.93Å; L127-Y157 HydrophobicContact CD1-CE2 4.3Å; V133-Y157 HydrophobicContact CB-CD2 4.19Å; V133-Y157 HydrophobicContact CG1-CD2 4.3Å; V133-Y157 HydrophobicContact CG1-CE2 4.15Å; R155-Y157 WeakPolarHBondContact CD-O 3.42Å; R155-Y157 WeakPolarHBondContact CG-O 3.37Å
158	S	57.5	Low	60	Low	96 Å²	96	98.9 Å²	98.9	67%	0.671	54%	0.539	S	S	*	.			trans	-78.1	161.3	165.4	-63.1	0	0	0	0	109.7	C160	S158-C160 VanDerWaalsContact C-N 3.3Å; S158-C160 PolarHBondContact O-N 2.88Å
159	S	48.9	Very low	57.3	Low	97 Å²	97	101.6 Å²	101.6	68%	0.678	56%	0.561	S	S	*	*			trans	-71	80.9	179.2	52	0	0	0	0	111.6
160	C	33.7	Very low	54.4	Low	86 Å²	86	102 Å²	102	58%	0.581	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-99.5	133.4	176	-66.8	0	0	0	0	110.8	S158	S158-C160 VanDerWaalsContact C-N 3.3Å; S158-C160 PolarHBondContact O-N 2.88Å
161	K	31.7	Very low	51.6	Low	175 Å²	175	102.4 Å²	102.4	76%	0.761	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-64.5	146.4	-178.5	-63.2	178.1	-179.5	179	0	111	G163 S164	K161-G163 PolarHBondContact O-N 3.02Å; K161-S164 PolarHBondContact O-N 3.02Å; K161-S164 PolarHBondContact O-OG 3.44Å
162	P	29.8	Very low	48.8	Very low	138 Å²	138	108.5 Å²	108.5	90%	0.896	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	123.6	170.7	-23.4	33.3	0	0	0	110.6
163	G	36.2	Very low	46.1	Very low	87 Å²	87	110.6 Å²	110.6	90%	0.897	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.2	-10.7	179.7	0	0	0	0	0	116.1	K161	K161-G163 PolarHBondContact O-N 3.02Å
164	S	32.7	Very low	43.5	Very low	68 Å²	68	115.4 Å²	115.4	48%	0.476	65%	0.647	S	S	.	*	S	Bend	trans	-77.1	142.4	167.9	52.6	0	0	0	0	111.3	K161	K161-S164 PolarHBondContact O-N 3.02Å; K161-S164 PolarHBondContact O-OG 3.44Å
165	K	29.9	Very low	40.5	Very low	187 Å²	187	123.6 Å²	123.6	81%	0.813	68%	0.684	S	S	*	*			trans	-62.5	146	176.9	-70.6	179.1	179	175.8	0	109.9	D167	K165-D167 PolarHBondContact O-N 2.76Å; K165-D167 VanDerWaalsContact O-N 3.15Å
166	L	33.7	Very low	37.9	Very low	137 Å²	137	126.3 Å²	126.3	72%	0.717	71%	0.71	S	S	*	*			trans	-70.1	106	168.6	-83.1	158.3	0	0	0	108.8	Y121	Y121-L166 HydrophobicContact CE2-CD1 4.48Å
167	D	34.6	Very low	35.5	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	74%	0.737	S	S	*	*			trans	-65.3	147.5	176.7	-70.6	-48.4	0	0	0	112.1	K165	K165-D167 PolarHBondContact O-N 2.76Å; K165-D167 VanDerWaalsContact O-N 3.15Å
168	D	32.6	Very low	33.2	Very low	133 Å²	133	135 Å²	135	71%	0.711	76%	0.764	S	S	*	*			trans	-64.3	128.4	-176.5	175.1	44.7	0	0	0	112.1	G170	D168-G170 PolarHBondContact O-N 3.34Å
169	P	33.9	Very low	31.9	Very low	132 Å²	132	137.5 Å²	137.5	86%	0.857	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	47.4	174.7	31.9	-37.1	0	0	0	113.7
170	G	30.2	Very low	30.9	Very low	48 Å²	48	139.9 Å²	139.9	50%	0.495	78%	0.776	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.1	-9.3	170.9	0	0	0	0	0	114.7	D168 M172	D168-G170 PolarHBondContact O-N 3.34Å; G170-M172 VanDerWaalsContact C-N 3.31Å; G170-M172 PolarHBondContact O-N 3.06Å
171	G	27.9	Very low	30.9	Very low	76 Å²	76	143.9 Å²	143.9	78%	0.784	79%	0.791	S	S	*	*			trans	-72.8	29.9	-163.4	0	0	0	0	0	119.6
172	M	30.5	Very low	30.9	Very low	188 Å²	188	145 Å²	145	93%	0.926	79%	0.79	S	S	*	*			trans	-149.1	73.8	171.7	-117.1	174.9	-146.2	0	0	114.4	G170	G170-M172 VanDerWaalsContact C-N 3.31Å; G170-M172 PolarHBondContact O-N 3.06Å
173	R	28.7	Very low	30.9	Very low	242 Å²	242	143.1 Å²	143.1	91%	0.913	78%	0.781	S	S	*	*			trans	-108.4	99.9	158.5	-81.4	-173.4	171.9	-164.4	-2.5	110.5
174	K	29.5	Very low	30.7	Very low	187 Å²	187	147.1 Å²	147.1	81%	0.813	78%	0.781	S	S	*	*			trans	-170.8	156.6	158.2	-103.2	152.1	-174.2	-179.4	0	108.3
175	F	27.6	Very low	30.6	Very low	204 Å²	204	153.4 Å²	153.4	90%	0.895	80%	0.803	S	S	*	*			trans	65.5	76.3	-175.6	-46.9	-74.2	0	0	0	115.7
176	V	31.1	Very low	30.6	Very low	145 Å²	145	153.3 Å²	153.3	88%	0.879	81%	0.806	S	S	*	*				-161.2	153.6	112.2	151.1	0	0	0	0	106.9
177	I	30	Very low	30.6	Very low	153 Å²	153	152.7 Å²	152.7	79%	0.785	81%	0.81	S	S	*	*			trans	-86.4	142.2	-167.3	-62.9	168.4	0	0	0	110.6
178	P	26.3	Very low	30.5	Very low	115 Å²	115	150.9 Å²	150.9	75%	0.747	82%	0.815	S	S	*	*			trans	-79.6	161.3	-179.1	33.5	-37.2	0	0	0	113.6
179	V	31.5	Very low	30.4	Very low	147 Å²	147	152 Å²	152	89%	0.891	82%	0.82	S	S	*	*			trans	-121.2	136.6	162.9	177.6	0	0	0	0	107.8
180	E	27.7	Very low	30	Very low	148 Å²	148	151.2 Å²	151.2	69%	0.692	82%	0.815	S	S	*	*			trans	-79.4	147.5	-174.6	-54.6	-172.2	159.3	0	0	113.1
181	N	32.1	Very low	29.9	Very low	169 Å²	169	160.7 Å²	160.7	90%	0.904	84%	0.836	S	S	*	*			trans	-157.3	159.6	132.2	-114.4	-46.6	0	0	0	111.4
182	R	31.7	Very low	30	Very low	199 Å²	199	164.1 Å²	164.1	75%	0.751	83%	0.831	S	S	*	*			trans	-105.2	155.9	-151.7	-61.2	-179.4	179.2	-179.7	-0.9	115.6
183	S	30.2	Very low	29.8	Very low	99 Å²	99	164.5 Å²	164.5	69%	0.692	83%	0.828	S	S	*	*			trans	48.1	110.3	145.6	58.9	0	0	0	0	119.9
184	N	33.1	Very low	29.8	Very low	170 Å²	170	159.3 Å²	159.3	91%	0.909	82%	0.823	S	S	*	*				-151.4	135.9	112	-95.3	-21.3	0	0	0	108.6
185	E	29.7	Very low	30.3	Very low	201 Å²	201	154.3 Å²	154.3	94%	0.939	82%	0.817	S	S	*	*			trans	-97.9	137.1	-179.6	-64.1	-167.6	135.7	0	0	111.1
186	E	30.9	Very low	31.4	Very low	184 Å²	184	152.1 Å²	152.1	86%	0.86	81%	0.814	S	S	*	*			trans	-138.4	139.3	169.7	-159.3	179.8	-136.2	0	0	108.1	A188	E186-A188 PolarHBondContact O-N 2.99Å
187	P	33.7	Very low	32.7	Very low	124 Å²	124	148.8 Å²	148.8	81%	0.805	79%	0.794	S	S	*	*			trans	-64.8	121.8	-165.2	-24.9	35.6	0	0	0	114.2	L189	P187-L189 PolarHBondContact O-N 3.18Å
188	A	31.2	Very low	34.6	Very low	104 Å²	104	141.9 Å²	141.9	86%	0.86	76%	0.76	S	S	*	*			trans	-73.5	98	179.9	0	0	0	0	0	112	E186	E186-A188 PolarHBondContact O-N 2.99Å
189	L	30.1	Very low	37	Very low	157 Å²	157	140.6 Å²	140.6	82%	0.822	75%	0.75	S	S	*	*			trans	-51.3	148.7	169.3	-78.5	167.8	0	0	0	111.9	P187 R191	P187-L189 PolarHBondContact O-N 3.18Å; L189-R191 PolarHBondContact O-N 2.92Å
190	P	27.5	Very low	39.3	Very low	116 Å²	116	133.7 Å²	133.7	75%	0.753	71%	0.708	S	S	*	*			trans	-55.1	128.1	-169.4	-27.8	35.2	0	0	0	113.8	Q192	P190-Q192 PolarHBondContact O-N 3.16Å
191	R	26.5	Very low	41.6	Very low	247 Å²	247	129.5 Å²	129.5	93%	0.932	70%	0.695	S	S	*	*			trans	-65.6	95.3	169	-70.4	-177.6	179	175.4	1.6	109	L189 K193	L189-R191 PolarHBondContact O-N 2.92Å; R191-K193 PolarHBondContact O-N 3.31Å; R191-K193 VanDerWaalsContact O-N 3.12Å
192	Q	29.6	Very low	44	Very low	147 Å²	147	124 Å²	124	69%	0.687	67%	0.665	S	S	*	*			trans	-52.4	121.9	164.3	-67.5	-170.3	-76.7	0	0	107.7	P190 T194	P190-Q192 PolarHBondContact O-N 3.16Å; Q192-T194 PolarHBondContact O-N 3.28Å
193	K	28.1	Very low	46.4	Very low	197 Å²	197	119.4 Å²	119.4	86%	0.857	66%	0.662	S	S	*	*			trans	-54.4	141.2	172.5	-67.6	177.8	180	175.5	0	107.9	R191 A195	R191-K193 PolarHBondContact O-N 3.31Å; R191-K193 VanDerWaalsContact O-N 3.12Å; K193-A195 PolarHBondContact O-N 3.45Å
194	T	28.7	Very low	49.1	Very low	132 Å²	132	119.9 Å²	119.9	81%	0.81	66%	0.656	S	S	*	*			trans	-61.4	105.7	170.1	45.3	0	0	0	0	108.1	Q192 N196	Q192-T194 PolarHBondContact O-N 3.28Å; T194-N196 PolarHBondContact O-N 3.09Å
195	A	38.9	Very low	51.8	Low	83 Å²	83	112.3 Å²	112.3	69%	0.686	62%	0.615	S	S	*	*			trans	-58.4	137.2	173.4	0	0	0	0	0	109	K193 V197	K193-A195 PolarHBondContact O-N 3.45Å; A195-V197 PolarHBondContact O-N 3.46Å; A195-V197 VanDerWaalsContact O-N 3.11Å
196	N	50.1	Low	54.8	Low	157 Å²	157	103.5 Å²	103.5	84%	0.84	57%	0.574	S	S	*	*			trans	-69.4	107.3	168.9	-68.8	-24.1	0	0	0	106.6	T194 A198	T194-N196 PolarHBondContact O-N 3.09Å; N196-A198 PolarHBondContact O-N 3.14Å
197	V	59.9	Low	57.6	Low	76 Å²	76	99.7 Å²	99.7	46%	0.461	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-59.4	126.7	175.5	-179.5	0	0	0	0	108.3	A195 L584	A195-V197 PolarHBondContact O-N 3.46Å; A195-V197 VanDerWaalsContact O-N 3.11Å; V197-L584 HydrophobicContact CG1-CD1 3.88Å
198	A	68.8	Low	60.3	Low	7 Å²	7	96.7 Å²	96.7	6%	0.058	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-55.9	143.3	179.7	0	0	0	0	0	112.3	N196 D202 F205 E208	N196-A198 PolarHBondContact O-N 3.14Å; A198-D202 HydrophobicContact CB-CB 3.99Å; A198-F205 HydrophobicContact CB-CB 4.09Å; A198-F205 HydrophobicContact CB-CD2 3.95Å; A198-F205 WeakPolarHBondContact O-CD2 3.42Å; A198-E208 WeakPolarHBondContact CB-OE2 3.5Å; A198-E208 PolarHBondContact N-OE2 3.29Å
199	V	77.5	Confident	63.3	Low	88 Å²	88	93.5 Å²	93.5	53%	0.533	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-100.6	162	169.9	-70.2	0	0	0	0	109.6	S201 D202 F205	V199-S201 WeakPolarHBondContact CG2-OG 3.49Å; V199-S201 PolarHBondContact O-N 2.93Å; V199-D202 WeakPolarHBondContact O-CB 3.42Å; V199-D202 PolarHBondContact O-N 3.43Å; V199-F205 VanDerWaalsContact C-CD2 3.48Å; V199-F205 WeakPolarHBondContact O-CB 3.34Å; V199-F205 WeakPolarHBondContact O-CD2 3.33Å
200	T	78.7	Confident	66.2	Low	3 Å²	3	86.8 Å²	86.8	2%	0.018	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.6	-177.3	33	0	0	0	0	115.3	D202 F205 V532 L534 E539 F543	T200-D202 VanDerWaalsContact C-N 3.3Å; T200-D202 PolarHBondContact O-N 2.93Å; T200-F205 HydrophobicContact CG2-CE1 4.1Å; T200-F205 HydrophobicContact CG2-CE2 4.41Å; T200-F205 HydrophobicContact CG2-CZ 4.04Å; T200-V532 HydrophobicContact CG2-CB 4.41Å; T200-V532 HydrophobicContact CG2-CG1 4.37Å; T200-L534 HydrophobicContact CG2-CD2 3.93Å; T200-E539 WeakPolarHBondContact CB-OE1 3.24Å; T200-E539 PolarHBondContact OG1-OE1 2.63Å; T200-F543 HydrophobicContact CG2-CD2 4.08Å; T200-F543 HydrophobicContact CG2-CE2 3.98Å; T200-F543 HydrophobicContact CG2-CZ 4.32Å
201	S	76.4	Confident	69.2	Low	60 Å²	60	85.6 Å²	85.6	42%	0.42	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.6	175.4	52.6	0	0	0	0	114.2	V199 E539	V199-S201 WeakPolarHBondContact CG2-OG 3.49Å; V199-S201 PolarHBondContact O-N 2.93Å; S201-E539 PolarHBondContact N-OE1 3.3Å; S201-E539 VanDerWaalsContact N-OE1 3.13Å
202	D	82.8	Confident	72.4	Confident	53 Å²	53	78.7 Å²	78.7	28%	0.283	43%	0.428	S	S	.	.	S	Bend	trans	-65.3	135.5	177	-161.7	-60.5	0	0	0	110.6	A198 V199 T200 N204 F205 K546	A198-D202 HydrophobicContact CB-CB 3.99Å; V199-D202 WeakPolarHBondContact O-CB 3.42Å; V199-D202 PolarHBondContact O-N 3.43Å; T200-D202 VanDerWaalsContact C-N 3.3Å; T200-D202 PolarHBondContact O-N 2.93Å; D202-N204 VanDerWaalsContact C-N 3.25Å; D202-N204 PolarHBondContact O-N 3.06Å; D202-N204 WeakPolarHBondContact OD1-CB 3.43Å; D202-N204 PolarHBondContact OD1-N 2.94Å; D202-F205 HydrophobicContact CB-CB 4.27Å; D202-K546 PolarHBondContact O-NZ 3.47Å
203	P	82	Confident	75.4	Confident	103 Å²	103	72.7 Å²	72.7	67%	0.669	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-41.3	171.1	-27.3	36.3	0	0	0	113.1	F205	P203-F205 PolarHBondContact O-N 3.15Å
204	N	86.8	Confident	78.6	Confident	108 Å²	108	64.4 Å²	64.4	58%	0.578	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.8	-170.3	-57.7	-48.9	0	0	0	114	D202 L206 Q207 E208	D202-N204 VanDerWaalsContact C-N 3.25Å; D202-N204 PolarHBondContact O-N 3.06Å; D202-N204 WeakPolarHBondContact OD1-CB 3.43Å; D202-N204 PolarHBondContact OD1-N 2.94Å; N204-L206 VanDerWaalsContact C-N 3.31Å; N204-L206 PolarHBondContact O-N 3.29Å; N204-Q207 WeakPolarHBondContact O-CB 3.43Å; N204-Q207 PolarHBondContact O-N 2.79Å; N204-E208 PolarHBondContact O-N 3.11Å
205	F	90.8	Very high	81.7	Confident	11 Å²	11	63.3 Å²	63.3	5%	0.048	35%	0.354	C	S	.	.	H	α-helix	trans	-54.8	-40.8	-173.4	174.3	-90.9	0	0	0	114.1	A198 V199 T200 D202 P203 F209 V528 F543	A198-F205 HydrophobicContact CB-CB 4.09Å; A198-F205 HydrophobicContact CB-CD2 3.95Å; A198-F205 WeakPolarHBondContact O-CD2 3.42Å; V199-F205 VanDerWaalsContact C-CD2 3.48Å; V199-F205 WeakPolarHBondContact O-CB 3.34Å; V199-F205 WeakPolarHBondContact O-CD2 3.33Å; T200-F205 HydrophobicContact CG2-CE1 4.1Å; T200-F205 HydrophobicContact CG2-CE2 4.41Å; T200-F205 HydrophobicContact CG2-CZ 4.04Å; D202-F205 HydrophobicContact CB-CB 4.27Å; P203-F205 PolarHBondContact O-N 3.15Å; F205-F209 VanDerWaalsContact O-CB 3.24Å; F205-F209 WeakPolarHBondContact O-CB 3.49Å; F205-F209 PolarHBondContact O-N 3.01Å; F205-V528 HydrophobicContact CE1-CG1 4.06Å; F205-F543 AromaticContact CD1-CE2 3.65Å; F205-F543 HydrophobicContact CD1-CE2 3.65Å; F205-F543 HydrophobicContact CD1-CZ 4.36Å; F205-F543 AromaticContact CE1-CE2 3.62Å; F205-F543 HydrophobicContact CE1-CE2 3.62Å; F205-F543 AromaticContact CE1-CZ 3.89Å; F205-F543 HydrophobicContact CE1-CZ 3.89Å
206	L	90.8	Very high	84.3	Confident	16 Å²	16	61.5 Å²	61.5	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-68.6	-39.3	178.8	-67.9	-176.8	0	0	0	111.7	N204 F209 Y210 V528 F543 K546 L547	N204-L206 VanDerWaalsContact C-N 3.31Å; N204-L206 PolarHBondContact O-N 3.29Å; L206-F209 PolarHBondContact O-N 2.59Å; L206-Y210 HydrophobicContact CB-CE2 4.42Å; L206-Y210 WeakPolarHBondContact O-CD2 3.27Å; L206-Y210 PolarHBondContact O-N 3.07Å; L206-V528 HydrophobicContact CD2-CG2 3.99Å; L206-F543 HydrophobicContact CD2-CE2 3.85Å; L206-F543 HydrophobicContact CD2-CZ 4.14Å; L206-K546 HydrophobicContact CD1-CB 3.71Å; L206-L547 HydrophobicContact CD1-CD2 4.01Å; L206-L547 HydrophobicContact CD1-CG 4.37Å; L206-L547 HydrophobicContact CD2-CD2 3.71Å; L206-L547 HydrophobicContact CD2-CG 4.41Å
207	Q	90.9	Very high	86.4	Confident	104 Å²	104	55.3 Å²	55.3	49%	0.486	30%	0.297	S	S	.	.	H	α-helix	trans	-64.8	-52.7	177.1	-171.6	59.7	44.7	0	0	110.5	N204 F209 Y210 D211	N204-Q207 WeakPolarHBondContact O-CB 3.43Å; N204-Q207 PolarHBondContact O-N 2.79Å; Q207-F209 VanDerWaalsContact C-N 3.26Å; Q207-F209 PolarHBondContact O-N 3.24Å; Q207-Y210 PolarHBondContact O-N 2.79Å; Q207-Y210 VanDerWaalsContact O-N 3.14Å; Q207-D211 WeakPolarHBondContact CG-OD2 3.49Å; Q207-D211 PolarHBondContact NE2-OD1 3.08Å; Q207-D211 PolarHBondContact NE2-OD2 3.5Å; Q207-D211 WeakPolarHBondContact O-CB 3.46Å; Q207-D211 PolarHBondContact O-N 3.2Å
208	E	90.5	Very high	88.1	Confident	62 Å²	62	54 Å²	54	29%	0.29	29%	0.287	S	S	.	.	H	α-helix	trans	-57.9	-39.7	176.4	-167.7	-167.7	150.4	0	0	111.4	A198 N204 H212	A198-E208 WeakPolarHBondContact CB-OE2 3.5Å; A198-E208 PolarHBondContact N-OE2 3.29Å; N204-E208 PolarHBondContact O-N 3.11Å; E208-H212 PolarHBondContact O-N 2.89Å; E208-H212 PolarHBondContact O-ND1 3.09Å
209	F	92.9	Very high	89.2	Confident	37 Å²	37	57.5 Å²	57.5	16%	0.162	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-47.7	175.9	172.3	-107	0	0	0	112.6	F205 L206 Q207 S213 V528	F205-F209 VanDerWaalsContact O-CB 3.24Å; F205-F209 WeakPolarHBondContact O-CB 3.49Å; F205-F209 PolarHBondContact O-N 3.01Å; L206-F209 PolarHBondContact O-N 2.59Å; Q207-F209 VanDerWaalsContact C-N 3.26Å; Q207-F209 PolarHBondContact O-N 3.24Å; F209-S213 WeakPolarHBondContact O-CB 3.35Å; F209-S213 PolarHBondContact O-N 3.29Å; F209-V528 HydrophobicContact CD1-CB 4.42Å; F209-V528 HydrophobicContact CD1-CG1 3.87Å; F209-V528 HydrophobicContact CD1-CG2 3.89Å; F209-V528 HydrophobicContact CD2-CG1 4.48Å; F209-V528 HydrophobicContact CE1-CB 4.14Å; F209-V528 HydrophobicContact CE1-CG1 3.89Å; F209-V528 HydrophobicContact CE1-CG2 3.76Å; F209-V528 HydrophobicContact CG-CG1 4.17Å; F209-V528 HydrophobicContact CZ-CG1 4.23Å
210	Y	92.2	Very high	89.8	Confident	15 Å²	15	55.8 Å²	55.8	6%	0.059	30%	0.301	C	S	.	.	H	α-helix	trans	-71.6	-39.9	-177.6	-72.7	-50.1	0	0	0	112.5	L206 Q207 H212 S213 H216 V528 E550 R554	L206-Y210 HydrophobicContact CB-CE2 4.42Å; L206-Y210 WeakPolarHBondContact O-CD2 3.27Å; L206-Y210 PolarHBondContact O-N 3.07Å; Q207-Y210 PolarHBondContact O-N 2.79Å; Q207-Y210 VanDerWaalsContact O-N 3.14Å; Y210-H212 VanDerWaalsContact C-N 3.27Å; Y210-H212 PolarHBondContact O-N 3Å; Y210-S213 PolarHBondContact O-N 3.04Å; Y210-S213 VanDerWaalsContact O-N 3.09Å; Y210-H216 HydrophobicContact CD1-CB 3.85Å; Y210-H216 AromaticContact CD1-CD2 3.9Å; Y210-H216 AromaticContact CD1-CG 3.5Å; Y210-H216 VanDerWaalsContact CD1-CG 3.5Å; Y210-H216 AromaticContact CD1-ND1 3.65Å; Y210-V528 HydrophobicContact CE1-CG2 4.48Å; Y210-V528 WeakPolarHBondContact OH-CG2 3.5Å; Y210-E550 HydrophobicContact CE2-CG 4.01Å; Y210-R554 VanDerWaalsContact CE2-NH2 3.32Å
211	D	91.1	Very high	90.5	Very high	91 Å²	91	55.8 Å²	55.8	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-33	176.9	-72.1	-28.4	0	0	0	113.1	Q207 F355	Q207-D211 WeakPolarHBondContact CG-OD2 3.49Å; Q207-D211 PolarHBondContact NE2-OD1 3.08Å; Q207-D211 PolarHBondContact NE2-OD2 3.5Å; Q207-D211 WeakPolarHBondContact O-CB 3.46Å; Q207-D211 PolarHBondContact O-N 3.2Å; D211-F355 WeakPolarHBondContact O-CD2 3.46Å; D211-F355 VanDerWaalsContact O-CE2 3.25Å; D211-F355 WeakPolarHBondContact O-CE2 3.43Å
212	H	92.1	Very high	91.2	Very high	102 Å²	102	53.3 Å²	53.3	47%	0.472	28%	0.284	S	S	.	.	H	α-helix	trans	-92.5	-9.9	176	-64.8	93.8	0	0	0	113.5	E208 Y210 R214 H302	E208-H212 PolarHBondContact O-N 2.89Å; E208-H212 PolarHBondContact O-ND1 3.09Å; Y210-H212 VanDerWaalsContact C-N 3.27Å; Y210-H212 PolarHBondContact O-N 3Å; H212-R214 PolarHBondContact O-N 2.98Å; H212-H302 PolarHBondContact O-CE1 3.06Å
213	S	93.3	Very high	91.5	Very high	21 Å²	21	53.8 Å²	53.8	15%	0.147	29%	0.285	C	S	.	.			trans	-85.3	99.1	-173.7	179	0	0	0	0	112.3	F209 Y210 L215 H216 F217	F209-S213 WeakPolarHBondContact O-CB 3.35Å; F209-S213 PolarHBondContact O-N 3.29Å; Y210-S213 PolarHBondContact O-N 3.04Å; Y210-S213 VanDerWaalsContact O-N 3.09Å; S213-L215 PolarHBondContact O-N 3.4Å; S213-H216 WeakPolarHBondContact O-CB 3.41Å; S213-H216 PolarHBondContact O-N 2.97Å; S213-H216 PolarHBondContact OG-N 3.38Å; S213-F217 PolarHBondContact O-N 3.32Å
214	R	94.9	Very high	91.9	Very high	24 Å²	24	52.5 Å²	52.5	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-52.7	-30.7	173.2	72.6	164.4	179.7	-128.1	18.5	113.8	H212 I218 E319 I320 A321 Y353 F355	H212-R214 PolarHBondContact O-N 2.98Å; R214-I218 WeakPolarHBondContact O-CD1 3.42Å; R214-I218 VanDerWaalsContact O-CG1 3.24Å; R214-I218 WeakPolarHBondContact O-CG1 3.38Å; R214-I218 PolarHBondContact O-N 2.78Å; R214-E319 IonicContact CZ-OE1 2.68Å; R214-E319 PolarHBondContact NH1-O 3.1Å; R214-E319 VanDerWaalsContact NH2-CG 3.33Å; R214-E319 IonicContact NH2-OE1 3.85Å; R214-E319 PolarHBondContact NH2-OE1 2.95Å; R214-I320 PolarHBondContact NH2-O 2.89Å; R214-I320 VanDerWaalsContact NH2-O 3.1Å; R214-A321 VanDerWaalsContact CZ-CA 3.47Å; R214-A321 VanDerWaalsContact NH1-CA 3.29Å; R214-A321 VanDerWaalsContact NH1-CB 3.33Å; R214-Y353 HydrophobicContact CB-CD1 4.36Å; R214-Y353 HydrophobicContact CB-CE1 3.7Å; R214-Y353 WeakPolarHBondContact CD-OH 3.39Å; R214-Y353 HydrophobicContact CG-CE1 4.27Å; R214-Y353 PolarHBondContact NH1-OH 3.22Å; R214-F355 HydrophobicContact CB-CE1 3.93Å; R214-F355 HydrophobicContact CB-CZ 4.05Å
215	L	94.2	Very high	92.2	Very high	108 Å²	108	47.6 Å²	47.6	57%	0.565	24%	0.244	S	C	*	.	H	α-helix	trans	-77.4	-35.9	-177.7	-62.7	-179.9	0	0	0	111.2	S213 S219	S213-L215 PolarHBondContact O-N 3.4Å; L215-S219 VanDerWaalsContact O-CB 3.28Å; L215-S219 WeakPolarHBondContact O-CB 3.24Å; L215-S219 PolarHBondContact O-N 3.1Å; L215-S219 PolarHBondContact O-OG 3.23Å
216	H	93.7	Very high	92.1	Very high	45 Å²	45	50.4 Å²	50.4	21%	0.208	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-52.1	167.2	175.2	65.7	0	0	0	110.3	Y210 S213 I218 S219 T220 R554	Y210-H216 HydrophobicContact CD1-CB 3.85Å; Y210-H216 AromaticContact CD1-CD2 3.9Å; Y210-H216 AromaticContact CD1-CG 3.5Å; Y210-H216 VanDerWaalsContact CD1-CG 3.5Å; Y210-H216 AromaticContact CD1-ND1 3.65Å; S213-H216 WeakPolarHBondContact O-CB 3.41Å; S213-H216 PolarHBondContact O-N 2.97Å; S213-H216 PolarHBondContact OG-N 3.38Å; H216-I218 PolarHBondContact O-N 2.92Å; H216-S219 PolarHBondContact O-N 2.83Å; H216-T220 PolarHBondContact CE1-OG1 2.94Å; H216-T220 PolarHBondContact ND1-OG1 2.95Å; H216-T220 PolarHBondContact NE2-OG1 2.69Å; H216-T220 PolarHBondContact O-N 2.99Å; H216-T220 PolarHBondContact O-OG1 3.39Å; H216-T220 VanDerWaalsContact O-OG1 3.13Å; H216-R554 PolarHBondContact CE1-NH2 2.67Å; H216-R554 VanDerWaalsContact CE1-NH2 3.34Å
217	F	94.8	Very high	91.9	Very high	28 Å²	28	52.1 Å²	52.1	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-50.7	-53.7	178.7	175.3	-96.1	0	0	0	112.9	S213 S219 T220 L221 F282 F355 C358 K359	S213-F217 PolarHBondContact O-N 3.32Å; F217-S219 VanDerWaalsContact C-N 3.32Å; F217-S219 PolarHBondContact O-N 2.94Å; F217-T220 PolarHBondContact O-N 2.77Å; F217-L221 HydrophobicContact CE1-CD2 3.79Å; F217-L221 HydrophobicContact CE2-CD2 4.24Å; F217-L221 HydrophobicContact CZ-CD2 3.52Å; F217-L221 VanDerWaalsContact O-CB 3.24Å; F217-L221 WeakPolarHBondContact O-CB 3.45Å; F217-L221 PolarHBondContact O-N 3.14Å; F217-F282 HydrophobicContact CD1-CE1 4.37Å; F217-F282 HydrophobicContact CE1-CE1 4.21Å; F217-F355 HydrophobicContact CB-CD1 4.02Å; F217-F355 HydrophobicContact CB-CE1 4.14Å; F217-F355 AromaticContact CD1-CD1 3.73Å; F217-F355 HydrophobicContact CD1-CD1 3.73Å; F217-F355 HydrophobicContact CD1-CE1 4.23Å; F217-F355 HydrophobicContact CD2-CB 3.77Å; F217-F355 AromaticContact CD2-CD1 3.84Å; F217-F355 HydrophobicContact CD2-CD1 3.84Å; F217-F355 HydrophobicContact CD2-CG 4.01Å; F217-F355 HydrophobicContact CE1-CD1 4.15Å; F217-F355 HydrophobicContact CE2-CB 3.71Å; F217-F355 HydrophobicContact CE2-CD1 4.25Å; F217-F355 HydrophobicContact CE2-CG 4.36Å; F217-F355 WeakPolarHBondContact CE2-O 3.3Å; F217-F355 HydrophobicContact CG-CB 4.4Å; F217-F355 AromaticContact CG-CD1 3.56Å; F217-F355 HydrophobicContact CG-CD1 3.56Å; F217-F355 HydrophobicContact CG-CE1 4.12Å; F217-F355 HydrophobicContact CG-CG 4.17Å; F217-F355 HydrophobicContact CZ-CB 4.3Å; F217-F355 HydrophobicContact CZ-CD1 4.39Å; F217-F355 WeakPolarHBondContact CZ-O 3.41Å; F217-C358 HydrophobicContact CE1-CB 3.9Å; F217-C358 HydrophobicContact CZ-CB 3.76Å; F217-K359 HydrophobicContact CE2-CB 4.16Å; F217-K359 HydrophobicContact CZ-CB 4.15Å
218	I	94	Very high	91.8	Very high	47 Å²	47	51.1 Å²	51.1	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-42.2	178.7	-64.9	162	0	0	0	111	R214 H216 A222 F282	R214-I218 WeakPolarHBondContact O-CD1 3.42Å; R214-I218 VanDerWaalsContact O-CG1 3.24Å; R214-I218 WeakPolarHBondContact O-CG1 3.38Å; R214-I218 PolarHBondContact O-N 2.78Å; H216-I218 PolarHBondContact O-N 2.92Å; I218-A222 WeakPolarHBondContact O-CB 3.32Å; I218-A222 PolarHBondContact O-N 2.84Å; I218-F282 HydrophobicContact CD1-CE2 4.02Å; I218-F282 HydrophobicContact CD1-CZ 3.81Å; I218-F282 HydrophobicContact CG1-CZ 3.87Å
219	S	91.8	Very high	91.7	Very high	82 Å²	82	48.4 Å²	48.4	57%	0.573	25%	0.249	S	C	*	.	H	α-helix	trans	-69.8	-40.2	-176.8	-65.7	0	0	0	0	112.7	L215 H216 F217 Q223	L215-S219 VanDerWaalsContact O-CB 3.28Å; L215-S219 WeakPolarHBondContact O-CB 3.24Å; L215-S219 PolarHBondContact O-N 3.1Å; L215-S219 PolarHBondContact O-OG 3.23Å; H216-S219 PolarHBondContact O-N 2.83Å; F217-S219 VanDerWaalsContact C-N 3.32Å; F217-S219 PolarHBondContact O-N 2.94Å; S219-Q223 PolarHBondContact O-N 3.12Å
220	T	91.8	Very high	91.4	Very high	51 Å²	51	49.2 Å²	49.2	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-66.7	-51.6	175	-59	0	0	0	0	110.3	H216 F217 A222 Q223 E224	H216-T220 PolarHBondContact CE1-OG1 2.94Å; H216-T220 PolarHBondContact ND1-OG1 2.95Å; H216-T220 PolarHBondContact NE2-OG1 2.69Å; H216-T220 PolarHBondContact O-N 2.99Å; H216-T220 PolarHBondContact O-OG1 3.39Å; H216-T220 VanDerWaalsContact O-OG1 3.13Å; F217-T220 PolarHBondContact O-N 2.77Å; T220-A222 PolarHBondContact O-N 3.08Å; T220-Q223 WeakPolarHBondContact O-CA 3.44Å; T220-Q223 WeakPolarHBondContact O-CB 3.29Å; T220-Q223 PolarHBondContact O-N 3.18Å; T220-E224 PolarHBondContact O-N 3.06Å
221	L	93.4	Very high	91.1	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-41.5	-178.4	-176.5	53.4	0	0	0	112.2	F217 Q223 E224 L225 K359 C381	F217-L221 HydrophobicContact CE1-CD2 3.79Å; F217-L221 HydrophobicContact CE2-CD2 4.24Å; F217-L221 HydrophobicContact CZ-CD2 3.52Å; F217-L221 VanDerWaalsContact O-CB 3.24Å; F217-L221 WeakPolarHBondContact O-CB 3.45Å; F217-L221 PolarHBondContact O-N 3.14Å; L221-Q223 PolarHBondContact O-N 2.7Å; L221-E224 PolarHBondContact O-N 3Å; L221-L225 HydrophobicContact CD1-CD1 4Å; L221-L225 HydrophobicContact CD1-CG 4.14Å; L221-L225 HydrophobicContact CG-CD1 3.9Å; L221-L225 WeakPolarHBondContact O-CB 3.3Å; L221-L225 WeakPolarHBondContact O-CD1 3.45Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.94Å; L221-K359 HydrophobicContact CD1-CD 4.37Å; L221-K359 HydrophobicContact CD1-CG 3.98Å; L221-K359 HydrophobicContact CD2-CB 4.36Å; L221-K359 HydrophobicContact CD2-CG 4.48Å; L221-C381 HydrophobicContact CB-CB 4.35Å; L221-C381 HydrophobicContact CD2-CB 3.59Å; L221-C381 HydrophobicContact CG-CB 3.78Å
222	A	91.2	Very high	90.8	Very high	9 Å²	9	49.2 Å²	49.2	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-21	174	0	0	0	0	0	113.6	I218 T220 K226	I218-A222 WeakPolarHBondContact O-CB 3.32Å; I218-A222 PolarHBondContact O-N 2.84Å; T220-A222 PolarHBondContact O-N 3.08Å; A222-K226 WeakPolarHBondContact O-CD 3.21Å; A222-K226 WeakPolarHBondContact O-CE 3.38Å; A222-K226 VanDerWaalsContact O-CG 3.24Å; A222-K226 WeakPolarHBondContact O-CG 3.39Å
223	Q	88.6	Confident	90.4	Very high	63 Å²	63	46.9 Å²	46.9	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-83.8	-41.3	172.1	179	62.6	80	0	0	111.6	S219 T220 L221 L225 K226 S227	S219-Q223 PolarHBondContact O-N 3.12Å; T220-Q223 WeakPolarHBondContact O-CA 3.44Å; T220-Q223 WeakPolarHBondContact O-CB 3.29Å; T220-Q223 PolarHBondContact O-N 3.18Å; L221-Q223 PolarHBondContact O-N 2.7Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 2.87Å; Q223-K226 PolarHBondContact O-N 3.27Å; Q223-S227 PolarHBondContact O-N 3.35Å; Q223-S227 VanDerWaalsContact O-N 3.11Å; Q223-S227 PolarHBondContact O-OG 2.88Å
224	E	90.3	Very high	89.9	Confident	76 Å²	76	53 Å²	53	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-56.8	-45.6	173	-69.1	178	-160.2	0	0	111.2	T220 L221 K226 S227 Y228 K359	T220-E224 PolarHBondContact O-N 3.06Å; L221-E224 PolarHBondContact O-N 3Å; E224-K226 VanDerWaalsContact C-N 3.34Å; E224-K226 PolarHBondContact O-N 3.25Å; E224-S227 WeakPolarHBondContact O-CB 3.41Å; E224-S227 PolarHBondContact O-N 2.99Å; E224-Y228 PolarHBondContact O-N 3.4Å; E224-K359 IonicContact OE1-NZ 3.68Å; E224-K359 PolarHBondContact OE1-NZ 3.4Å; E224-K359 WeakPolarHBondContact OE2-CE 3.48Å; E224-K359 IonicContact OE2-NZ 2.67Å; E224-K359 PolarHBondContact OE2-NZ 3.38Å
225	L	91.9	Very high	89.1	Confident	5 Å²	5	56 Å²	56	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-68.5	-31	-179.1	-65.7	162.7	0	0	0	112.9	L221 Q223 Y228 V229 S362 F366 C381	L221-L225 HydrophobicContact CD1-CD1 4Å; L221-L225 HydrophobicContact CD1-CG 4.14Å; L221-L225 HydrophobicContact CG-CD1 3.9Å; L221-L225 WeakPolarHBondContact O-CB 3.3Å; L221-L225 WeakPolarHBondContact O-CD1 3.45Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.94Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 2.87Å; L225-Y228 PolarHBondContact O-N 3.12Å; L225-V229 WeakPolarHBondContact O-CG2 3.39Å; L225-V229 PolarHBondContact O-N 3.21Å; L225-S362 VanDerWaalsContact CD1-OG 3.29Å; L225-S362 WeakPolarHBondContact CD1-OG 3.42Å; L225-F366 HydrophobicContact CD1-CD2 3.88Å; L225-F366 HydrophobicContact CD1-CE2 3.83Å; L225-F366 HydrophobicContact CD2-CB 3.94Å; L225-F366 HydrophobicContact CD2-CD2 3.83Å; L225-F366 HydrophobicContact CD2-CG 3.87Å; L225-F366 HydrophobicContact CG-CD2 4.31Å; L225-C381 HydrophobicContact CD1-CB 4.29Å
226	K	89.3	Confident	88.3	Confident	69 Å²	69	60.5 Å²	60.5	30%	0.3	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-43.4	171	-76.2	165.1	-171.7	148.5	0	111.1	A222 Q223 E224 V229 L230 A378 I379	A222-K226 WeakPolarHBondContact O-CD 3.21Å; A222-K226 WeakPolarHBondContact O-CE 3.38Å; A222-K226 VanDerWaalsContact O-CG 3.24Å; A222-K226 WeakPolarHBondContact O-CG 3.39Å; Q223-K226 PolarHBondContact O-N 3.27Å; E224-K226 VanDerWaalsContact C-N 3.34Å; E224-K226 PolarHBondContact O-N 3.25Å; K226-V229 PolarHBondContact O-N 3.17Å; K226-L230 VanDerWaalsContact O-CG 3.32Å; K226-L230 WeakPolarHBondContact O-CG 3.47Å; K226-L230 PolarHBondContact O-N 3.23Å; K226-L230 VanDerWaalsContact O-N 3.07Å; K226-A378 WeakPolarHBondContact CE-O 3.23Å; K226-A378 HydrophobicContact CG-CB 3.88Å; K226-I379 PolarHBondContact NZ-O 3.22Å
227	S	87.2	Confident	87.8	Confident	52 Å²	52	64 Å²	64	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-41	173.5	-60.3	0	0	0	0	112.2	Q223 E224 V229 L230 N231	Q223-S227 PolarHBondContact O-N 3.35Å; Q223-S227 VanDerWaalsContact O-N 3.11Å; Q223-S227 PolarHBondContact O-OG 2.88Å; E224-S227 WeakPolarHBondContact O-CB 3.41Å; E224-S227 PolarHBondContact O-N 2.99Å; S227-V229 PolarHBondContact O-N 3.43Å; S227-L230 PolarHBondContact O-N 3.4Å; S227-N231 VanDerWaalsContact O-CG 3.28Å; S227-N231 PolarHBondContact O-N 3.06Å; S227-N231 PolarHBondContact O-OD1 3.47Å
228	Y	89.3	Confident	87.5	Confident	84 Å²	84	68 Å²	68	33%	0.329	34%	0.342	S	S	.	.	H	α-helix	trans	-57.4	-49	174.2	173.1	-103.6	0	0	0	111.9	E224 L225 L230 N231 M232 F366 S367 S370	E224-Y228 PolarHBondContact O-N 3.4Å; L225-Y228 PolarHBondContact O-N 3.12Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 3.36Å; Y228-N231 PolarHBondContact O-N 3.04Å; Y228-M232 WeakPolarHBondContact O-CB 3.4Å; Y228-M232 PolarHBondContact O-N 3.1Å; Y228-F366 HydrophobicContact CD1-CB 4.5Å; Y228-F366 HydrophobicContact CE1-CB 4.41Å; Y228-S367 WeakPolarHBondContact OH-CB 3.5Å; Y228-S370 PolarHBondContact OH-OG 3.19Å
229	V	88.2	Confident	87.4	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-38.6	178.4	166.5	0	0	0	0	111.9	L225 K226 S227 M232 R233 F366 I376 A378	L225-V229 WeakPolarHBondContact O-CG2 3.39Å; L225-V229 PolarHBondContact O-N 3.21Å; K226-V229 PolarHBondContact O-N 3.17Å; S227-V229 PolarHBondContact O-N 3.43Å; V229-M232 HydrophobicContact CB-CE 4.37Å; V229-M232 HydrophobicContact CG1-CE 4.11Å; V229-M232 HydrophobicContact CG2-CE 4.33Å; V229-R233 WeakPolarHBondContact O-CG 3.42Å; V229-R233 PolarHBondContact O-N 3.32Å; V229-F366 HydrophobicContact CG2-CD1 4.11Å; V229-F366 HydrophobicContact CG2-CE1 4.49Å; V229-I376 HydrophobicContact CG1-CB 4.42Å; V229-I376 WeakPolarHBondContact CG1-O 3.33Å; V229-I376 HydrophobicContact CG2-CG2 4.47Å; V229-A378 HydrophobicContact CG2-CB 4.31Å
230	L	85.3	Confident	87.3	Confident	54 Å²	54	66.6 Å²	66.6	28%	0.283	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-51	175.3	-71.4	167.6	0	0	0	111.7	K226 S227 Y228 M232 R233 Q234 M517 E518	K226-L230 VanDerWaalsContact O-CG 3.32Å; K226-L230 WeakPolarHBondContact O-CG 3.47Å; K226-L230 PolarHBondContact O-N 3.23Å; K226-L230 VanDerWaalsContact O-N 3.07Å; S227-L230 PolarHBondContact O-N 3.4Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 3.36Å; L230-M232 VanDerWaalsContact C-N 3.32Å; L230-M232 PolarHBondContact O-N 2.77Å; L230-R233 PolarHBondContact O-N 2.79Å; L230-Q234 PolarHBondContact O-N 3.07Å; L230-M517 WeakPolarHBondContact CD2-O 3.33Å; L230-E518 HydrophobicContact CD2-CG 4.1Å
231	N	86.1	Confident	87.3	Confident	91 Å²	91	66.4 Å²	66.4	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-61.3	-41.7	179.1	-65.3	5.8	0	0	0	111.3	S227 Y228 R233 Q234 T235	S227-N231 VanDerWaalsContact O-CG 3.28Å; S227-N231 PolarHBondContact O-N 3.06Å; S227-N231 PolarHBondContact O-OD1 3.47Å; Y228-N231 PolarHBondContact O-N 3.04Å; N231-R233 PolarHBondContact O-N 3.32Å; N231-Q234 WeakPolarHBondContact O-CB 3.39Å; N231-Q234 PolarHBondContact O-N 3.31Å; N231-T235 PolarHBondContact O-N 3.31Å; N231-T235 PolarHBondContact O-OG1 2.96Å
232	M	86.2	Confident	87.3	Confident	14 Å²	14	67.8 Å²	67.8	7%	0.069	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-23.3	178.5	176.1	-83.9	-62	0	0	114	Y228 V229 L230 T235 R239 A374 I376	Y228-M232 WeakPolarHBondContact O-CB 3.4Å; Y228-M232 PolarHBondContact O-N 3.1Å; V229-M232 HydrophobicContact CB-CE 4.37Å; V229-M232 HydrophobicContact CG1-CE 4.11Å; V229-M232 HydrophobicContact CG2-CE 4.33Å; L230-M232 VanDerWaalsContact C-N 3.32Å; L230-M232 PolarHBondContact O-N 2.77Å; M232-T235 WeakPolarHBondContact CA-OG1 3.47Å; M232-T235 PolarHBondContact O-OG1 2.76Å; M232-T235 VanDerWaalsContact O-OG1 3.04Å; M232-R239 PolarHBondContact SD-NH2 3.5Å; M232-A374 HydrophobicContact SD-CB 4.37Å; M232-I376 HydrophobicContact CE-CD1 4.23Å
233	R	82.9	Confident	87.5	Confident	53 Å²	53	68.8 Å²	68.8	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-86.4	-32.4	172.4	-65.5	-171.5	-158.9	130.2	-5	113.5	V229 L230 N231 T235 A374 I376 M517	V229-R233 WeakPolarHBondContact O-CG 3.42Å; V229-R233 PolarHBondContact O-N 3.32Å; L230-R233 PolarHBondContact O-N 2.79Å; N231-R233 PolarHBondContact O-N 3.32Å; R233-T235 VanDerWaalsContact C-N 3.33Å; R233-A374 HydrophobicContact CG-CB 4.24Å; R233-A374 PolarHBondContact NE-O 3Å; R233-I376 PolarHBondContact NH2-O 3.26Å; R233-M517 PolarHBondContact NH1-O 2.65Å; R233-M517 PolarHBondContact NH2-SD 2.91Å
234	Q	82	Confident	87.8	Confident	151 Å²	151	71.6 Å²	71.6	71%	0.706	36%	0.361	S	S	*	.	H	α-helix	trans	-66	-40.2	174.1	-64.9	175.2	-1.4	0	0	110.3	L230 N231 K236	L230-Q234 PolarHBondContact O-N 3.07Å; N231-Q234 WeakPolarHBondContact O-CB 3.39Å; N231-Q234 PolarHBondContact O-N 3.31Å; Q234-K236 PolarHBondContact O-N 3.38Å; Q234-K236 VanDerWaalsContact O-N 3.16Å
235	T	79.9	Confident	88	Confident	85 Å²	85	75.2 Å²	75.2	52%	0.521	37%	0.371	S	S	.	.	S	Bend	trans	-70.2	104.3	166.2	57.2	0	0	0	0	110.2	N231 M232 R233 K237	N231-T235 PolarHBondContact O-N 3.31Å; N231-T235 PolarHBondContact O-OG1 2.96Å; M232-T235 WeakPolarHBondContact CA-OG1 3.47Å; M232-T235 PolarHBondContact O-OG1 2.76Å; M232-T235 VanDerWaalsContact O-OG1 3.04Å; R233-T235 VanDerWaalsContact C-N 3.33Å; T235-K237 PolarHBondContact O-N 3.03Å
236	K	77.3	Confident	88.2	Confident	204 Å²	204	75 Å²	75	89%	0.887	37%	0.37	S	S	*	.			trans	-72.2	58.4	174.8	-67.4	-174.3	178.6	-179.9	0	112.3	Q234 D238	Q234-K236 PolarHBondContact O-N 3.38Å; Q234-K236 VanDerWaalsContact O-N 3.16Å; K236-D238 PolarHBondContact O-N 3Å
237	K	82.5	Confident	88.4	Confident	117 Å²	117	74.4 Å²	74.4	51%	0.509	37%	0.368	S	S	.	.			trans	-60.1	131.9	178.4	-165.2	-164.5	173.3	-174.9	0	110.1	T235 R239	T235-K237 PolarHBondContact O-N 3.03Å; K237-R239 PolarHBondContact O-NH1 3.12Å
238	D	88.5	Confident	88.7	Confident	114 Å²	114	75.8 Å²	75.8	61%	0.61	37%	0.372	S	S	*	.			trans	-65.3	143.3	167.5	-174.5	24.3	0	0	0	110.7	K236 S240	K236-D238 PolarHBondContact O-N 3Å; D238-S240 VanDerWaalsContact OD1-CB 3.31Å; D238-S240 WeakPolarHBondContact OD1-CB 3.39Å; D238-S240 PolarHBondContact OD1-N 3.2Å; D238-S240 PolarHBondContact OD1-OG 3.12Å; D238-S240 WeakPolarHBondContact OD2-CB 3.31Å; D238-S240 PolarHBondContact OD2-OG 3.19Å
239	R	91.3	Very high	88.9	Confident	28 Å²	28	73.6 Å²	73.6	11%	0.106	37%	0.369	C	S	.	.			trans	-127	2.3	-178.7	-60.8	-177	174.6	75.3	-5.2	111.7	M232 K237 G241 D242 R243 S370 R371	M232-R239 PolarHBondContact SD-NH2 3.5Å; K237-R239 PolarHBondContact O-NH1 3.12Å; R239-G241 PolarHBondContact O-N 2.8Å; R239-D242 PolarHBondContact O-N 2.87Å; R239-R243 HydrophobicContact CB-CG 4.46Å; R239-R243 WeakPolarHBondContact O-CB 3.25Å; R239-R243 WeakPolarHBondContact O-CG 3.4Å; R239-R243 PolarHBondContact O-N 3.18Å; R239-S370 PolarHBondContact NE-O 3.27Å; R239-R371 VanDerWaalsContact CB-O 3.28Å; R239-R371 WeakPolarHBondContact CB-O 3.5Å; R239-R371 WeakPolarHBondContact CD-O 3.36Å; R239-R371 WeakPolarHBondContact CG-O 3.43Å
240	S	89.8	Confident	89.1	Confident	70 Å²	70	73.7 Å²	73.7	49%	0.49	37%	0.369	S	S	.	.	H	α-helix	trans	-53.6	-51.8	-176	69.1	0	0	0	0	112.9	D238 R243 K244	D238-S240 VanDerWaalsContact OD1-CB 3.31Å; D238-S240 WeakPolarHBondContact OD1-CB 3.39Å; D238-S240 PolarHBondContact OD1-N 3.2Å; D238-S240 PolarHBondContact OD1-OG 3.12Å; D238-S240 WeakPolarHBondContact OD2-CB 3.31Å; D238-S240 PolarHBondContact OD2-OG 3.19Å; S240-R243 PolarHBondContact O-N 3.34Å; S240-K244 WeakPolarHBondContact O-CB 3.46Å; S240-K244 PolarHBondContact O-N 3.47Å
241	G	92.9	Very high	89.3	Confident	48 Å²	48	74.6 Å²	74.6	50%	0.495	37%	0.372	S	S	.	.	H	α-helix	trans	-65.9	-40.1	-178.6	0	0	0	0	0	113.9	R239 R245	R239-G241 PolarHBondContact O-N 2.8Å; G241-R245 PolarHBondContact O-N 2.82Å
242	D	93.5	Very high	89.5	Confident	31 Å²	31	73.9 Å²	73.9	17%	0.166	37%	0.374	C	S	.	.	H	α-helix	trans	-68.8	-45.5	175.5	-80.7	-41.6	0	0	0	110.7	R239 K244 R245 M246 R371 Y372	R239-D242 PolarHBondContact O-N 2.87Å; D242-K244 VanDerWaalsContact C-N 3.32Å; D242-K244 PolarHBondContact O-N 2.9Å; D242-R245 WeakPolarHBondContact O-CB 3.27Å; D242-R245 PolarHBondContact O-N 3.09Å; D242-R245 VanDerWaalsContact O-N 3.15Å; D242-M246 PolarHBondContact O-N 3.23Å; D242-R371 HydrophobicContact CB-CB 4.27Å; D242-R371 WeakPolarHBondContact OD2-CB 3.32Å; D242-Y372 HydrophobicContact CB-CD1 4.05Å; D242-Y372 HydrophobicContact CB-CE1 3.8Å; D242-Y372 VanDerWaalsContact O-CE1 3.26Å; D242-Y372 WeakPolarHBondContact O-CE1 3.47Å
243	R	95	Very high	89.4	Confident	30 Å²	30	76.6 Å²	76.6	11%	0.113	39%	0.388	C	S	.	.	H	α-helix	trans	-59.1	-41.5	174.4	-74.1	-173.2	-177.2	-179.9	9.1	112.4	R239 S240 M246 Q247 Y372 E390 L391 S394 I395	R239-R243 HydrophobicContact CB-CG 4.46Å; R239-R243 WeakPolarHBondContact O-CB 3.25Å; R239-R243 WeakPolarHBondContact O-CG 3.4Å; R239-R243 PolarHBondContact O-N 3.18Å; S240-R243 PolarHBondContact O-N 3.34Å; R243-M246 WeakPolarHBondContact O-CB 3.36Å; R243-M246 PolarHBondContact O-N 3.03Å; R243-Q247 PolarHBondContact O-N 2.89Å; R243-Y372 PolarHBondContact NE-O 3.07Å; R243-Y372 PolarHBondContact NH2-O 3.15Å; R243-E390 IonicContact CZ-OE1 3.65Å; R243-E390 IonicContact NH1-OE1 2.69Å; R243-E390 PolarHBondContact NH1-OE1 3.43Å; R243-E390 VanDerWaalsContact NH2-CD 3.32Å; R243-E390 IonicContact NH2-OE1 2.75Å; R243-E390 PolarHBondContact NH2-OE1 3.26Å; R243-E390 IonicContact NH2-OE2 3.3Å; R243-E390 PolarHBondContact NH2-OE2 3.15Å; R243-L391 HydrophobicContact CG-CD1 3.79Å; R243-S394 PolarHBondContact NH1-OG 2.75Å; R243-I395 HydrophobicContact CB-CG2 3.98Å
244	K	94.3	Very high	89.5	Confident	122 Å²	122	76.7 Å²	76.7	53%	0.53	39%	0.389	S	S	.	.	H	α-helix	trans	-61.7	-44.7	174.1	-175.9	175.1	176.6	179.7	0	111.8	S240 D242 M246 Q247 D248	S240-K244 WeakPolarHBondContact O-CB 3.46Å; S240-K244 PolarHBondContact O-N 3.47Å; D242-K244 VanDerWaalsContact C-N 3.32Å; D242-K244 PolarHBondContact O-N 2.9Å; K244-M246 PolarHBondContact O-N 3.29Å; K244-Q247 WeakPolarHBondContact O-CA 3.46Å; K244-Q247 WeakPolarHBondContact O-CB 3.41Å; K244-Q247 PolarHBondContact O-N 3.12Å; K244-D248 WeakPolarHBondContact CE-OD1 3.36Å; K244-D248 VanDerWaalsContact O-CG 3.22Å; K244-D248 PolarHBondContact O-N 3.48Å
245	R	94.5	Very high	89.1	Confident	152 Å²	152	77.4 Å²	77.4	57%	0.574	39%	0.392	S	S	*	.	H	α-helix	trans	-56.5	-37.7	174.3	-172.8	-165.3	-60.8	-87.3	2.3	112.3	G241 D242 S249	G241-R245 PolarHBondContact O-N 2.82Å; D242-R245 WeakPolarHBondContact O-CB 3.27Å; D242-R245 PolarHBondContact O-N 3.09Å; D242-R245 VanDerWaalsContact O-N 3.15Å; R245-S249 WeakPolarHBondContact O-CB 3.06Å; R245-S249 PolarHBondContact O-N 3.48Å
246	M	95.5	Very high	88.5	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-67.2	-45.5	173.1	-177.3	-174.7	-74.7	0	0	111.5	D242 R243 K244 S249 I250 Y372 L391 I395 V402 Y405 L406	D242-M246 PolarHBondContact O-N 3.23Å; R243-M246 WeakPolarHBondContact O-CB 3.36Å; R243-M246 PolarHBondContact O-N 3.03Å; K244-M246 PolarHBondContact O-N 3.29Å; M246-S249 PolarHBondContact O-N 2.93Å; M246-I250 HydrophobicContact CG-CD1 3.79Å; M246-I250 HydrophobicContact CG-CG1 4.49Å; M246-I250 WeakPolarHBondContact O-CG1 3.18Å; M246-I250 PolarHBondContact O-N 3.13Å; M246-I250 HydrophobicContact SD-CD1 4.43Å; M246-Y372 HydrophobicContact CB-CD1 4.31Å; M246-Y372 HydrophobicContact CB-CE1 4.08Å; M246-Y372 HydrophobicContact CE-CD1 3.49Å; M246-Y372 VanDerWaalsContact CE-CD1 3.49Å; M246-Y372 HydrophobicContact CE-CD2 3.88Å; M246-Y372 HydrophobicContact CE-CE1 3.87Å; M246-Y372 HydrophobicContact CE-CE2 4.21Å; M246-Y372 HydrophobicContact CE-CG 3.5Å; M246-L391 HydrophobicContact SD-CD1 4.43Å; M246-L391 HydrophobicContact SD-CD2 4.46Å; M246-I395 HydrophobicContact CB-CD1 4.34Å; M246-I395 HydrophobicContact CG-CD1 3.82Å; M246-I395 HydrophobicContact SD-CD1 3.55Å; M246-I395 VanDerWaalsContact SD-CD1 3.55Å; M246-V402 HydrophobicContact CE-CG1 4.38Å; M246-V402 HydrophobicContact SD-CB 4.47Å; M246-V402 HydrophobicContact SD-CG1 4.02Å; M246-V402 HydrophobicContact SD-CG2 4.24Å; M246-Y405 HydrophobicContact CB-CD1 4.45Å; M246-Y405 HydrophobicContact CB-CE1 4.26Å; M246-Y405 HydrophobicContact CB-CE2 4.31Å; M246-Y405 HydrophobicContact CE-CD1 3.57Å; M246-Y405 HydrophobicContact CE-CE1 3.92Å; M246-Y405 HydrophobicContact CE-CG 4.35Å; M246-Y405 HydrophobicContact CG-CD1 3.86Å; M246-Y405 HydrophobicContact CG-CD2 4.04Å; M246-Y405 HydrophobicContact CG-CE1 4.17Å; M246-Y405 HydrophobicContact CG-CE2 4.32Å; M246-Y405 HydrophobicContact CG-CG 3.81Å; M246-Y405 HydrophobicContact SD-CD1 4.42Å; M246-L406 HydrophobicContact CE-CD2 3.82Å; M246-L406 HydrophobicContact CE-CG 4Å
247	Q	94.3	Very high	87.7	Confident	57 Å²	57	70.5 Å²	70.5	27%	0.266	38%	0.384	S	S	.	.	H	α-helix	trans	-58.7	-57	177.2	-172.4	179.6	-13.3	0	0	112	R243 K244 S249 I250 E251 I395	R243-Q247 PolarHBondContact O-N 2.89Å; K244-Q247 WeakPolarHBondContact O-CA 3.46Å; K244-Q247 WeakPolarHBondContact O-CB 3.41Å; K244-Q247 PolarHBondContact O-N 3.12Å; Q247-S249 PolarHBondContact O-N 3.36Å; Q247-S249 VanDerWaalsContact O-N 3.13Å; Q247-I250 PolarHBondContact O-N 3.41Å; Q247-E251 HydrophobicContact CG-CG 4.38Å; Q247-E251 VanDerWaalsContact CG-OE1 3.3Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.4Å; Q247-E251 PolarHBondContact NE2-OE1 2.76Å; Q247-E251 PolarHBondContact O-N 3.17Å; Q247-I395 HydrophobicContact CB-CB 3.95Å; Q247-I395 HydrophobicContact CB-CG2 4.14Å; Q247-I395 HydrophobicContact CG-CB 4.15Å
248	D	93.9	Very high	86.1	Confident	81 Å²	81	71.1 Å²	71.1	43%	0.433	40%	0.403	S	S	.	.	H	α-helix	trans	-52.7	-38.9	179.6	-61.5	-21.1	0	0	0	110.7	K244 S252	K244-D248 WeakPolarHBondContact CE-OD1 3.36Å; K244-D248 VanDerWaalsContact O-CG 3.22Å; K244-D248 PolarHBondContact O-N 3.48Å; D248-S252 WeakPolarHBondContact O-CB 3.37Å; D248-S252 PolarHBondContact O-N 2.92Å; D248-S252 VanDerWaalsContact O-N 3.07Å
249	S	93.1	Very high	84.1	Confident	38 Å²	38	69.5 Å²	69.5	27%	0.266	40%	0.401	S	S	.	.	H	α-helix	trans	-70.6	-43.2	176.1	-170.8	0	0	0	0	113.2	R245 M246 Q247 S252 N253	R245-S249 WeakPolarHBondContact O-CB 3.06Å; R245-S249 PolarHBondContact O-N 3.48Å; M246-S249 PolarHBondContact O-N 2.93Å; Q247-S249 PolarHBondContact O-N 3.36Å; Q247-S249 VanDerWaalsContact O-N 3.13Å; S249-S252 PolarHBondContact O-N 3.11Å; S249-N253 PolarHBondContact O-N 2.9Å; S249-N253 PolarHBondContact O-ND2 2.86Å
250	I	92.1	Very high	81.8	Confident	8 Å²	8	76.3 Å²	76.3	4%	0.041	44%	0.439	C	S	.	.	H	α-helix	trans	-65.1	-44.2	177.8	-71.1	170.2	0	0	0	110.3	M246 Q247 S252 N253 R254 I395 A397 E401 V402	M246-I250 HydrophobicContact CG-CD1 3.79Å; M246-I250 HydrophobicContact CG-CG1 4.49Å; M246-I250 WeakPolarHBondContact O-CG1 3.18Å; M246-I250 PolarHBondContact O-N 3.13Å; M246-I250 HydrophobicContact SD-CD1 4.43Å; Q247-I250 PolarHBondContact O-N 3.41Å; I250-S252 PolarHBondContact O-N 3.33Å; I250-N253 PolarHBondContact O-N 2.95Å; I250-N253 VanDerWaalsContact O-N 3.14Å; I250-R254 WeakPolarHBondContact O-CG 3.45Å; I250-R254 PolarHBondContact O-N 3.02Å; I250-I395 HydrophobicContact CD1-CD1 4.13Å; I250-A397 HydrophobicContact CD1-CB 3.82Å; I250-A397 HydrophobicContact CG2-CB 4.17Å; I250-E401 HydrophobicContact CD1-CB 4.13Å; I250-E401 HydrophobicContact CG1-CB 4.41Å; I250-E401 HydrophobicContact CG2-CB 4.03Å; I250-E401 HydrophobicContact CG2-CG 4.34Å; I250-V402 HydrophobicContact CD1-CG2 4.43Å
251	E	90.4	Very high	79.6	Confident	73 Å²	73	80.9 Å²	80.9	34%	0.341	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-41.9	176.1	-69.2	-178.6	-167.4	0	0	112.3	Q247 N253 R254 Q255	Q247-E251 HydrophobicContact CG-CG 4.38Å; Q247-E251 VanDerWaalsContact CG-OE1 3.3Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.4Å; Q247-E251 PolarHBondContact NE2-OE1 2.76Å; Q247-E251 PolarHBondContact O-N 3.17Å; E251-N253 PolarHBondContact O-N 2.7Å; E251-R254 WeakPolarHBondContact O-CB 3.4Å; E251-R254 PolarHBondContact O-N 3.28Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 2.82Å; E251-Q255 VanDerWaalsContact O-N 3.12Å
252	S	89.6	Confident	77.4	Confident	75 Å²	75	81.9 Å²	81.9	52%	0.524	47%	0.465	S	S	.	.	H	α-helix	trans	-61.6	-39.6	172.7	179.1	0	0	0	0	112.9	D248 S249 I250 Q255 G256	D248-S252 WeakPolarHBondContact O-CB 3.37Å; D248-S252 PolarHBondContact O-N 2.92Å; D248-S252 VanDerWaalsContact O-N 3.07Å; S249-S252 PolarHBondContact O-N 3.11Å; I250-S252 PolarHBondContact O-N 3.33Å; S252-Q255 PolarHBondContact O-N 3.44Å; S252-G256 PolarHBondContact O-N 3.15Å
253	N	85.3	Confident	75.3	Confident	71 Å²	71	85.2 Å²	85.2	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-35.1	174.9	-79.3	-94.8	0	0	0	112.3	S249 I250 E251 G256 S257 R408	S249-N253 PolarHBondContact O-N 2.9Å; S249-N253 PolarHBondContact O-ND2 2.86Å; I250-N253 PolarHBondContact O-N 2.95Å; I250-N253 VanDerWaalsContact O-N 3.14Å; E251-N253 PolarHBondContact O-N 2.7Å; N253-G256 PolarHBondContact O-N 2.89Å; N253-S257 PolarHBondContact O-OG 3.39Å; N253-R408 PolarHBondContact ND2-NH2 3.31Å; N253-R408 VanDerWaalsContact ND2-NH2 3.17Å; N253-R408 PolarHBondContact OD1-NH1 3.3Å
254	R	84.5	Confident	73.6	Confident	56 Å²	56	86.9 Å²	86.9	21%	0.211	50%	0.503	C	S	.	.	H	α-helix	trans	-61.8	-47.2	174.7	-71.2	170.7	174.4	175.1	-6.5	111	I250 E251 G256 S257 D396 E401	I250-R254 WeakPolarHBondContact O-CG 3.45Å; I250-R254 PolarHBondContact O-N 3.02Å; E251-R254 WeakPolarHBondContact O-CB 3.4Å; E251-R254 PolarHBondContact O-N 3.28Å; R254-G256 VanDerWaalsContact C-N 3.27Å; R254-G256 PolarHBondContact O-N 3.39Å; R254-S257 PolarHBondContact O-N 2.9Å; R254-D396 PolarHBondContact NH1-O 2.91Å; R254-D396 PolarHBondContact NH2-O 2.9Å; R254-E401 IonicContact CZ-OE1 3.33Å; R254-E401 VanDerWaalsContact CZ-OE1 3.28Å; R254-E401 IonicContact CZ-OE2 3.37Å; R254-E401 IonicContact NE-OE1 2.7Å; R254-E401 PolarHBondContact NE-OE1 3.24Å; R254-E401 VanDerWaalsContact NH2-CD 3.33Å; R254-E401 IonicContact NH2-OE1 3.39Å; R254-E401 PolarHBondContact NH2-OE1 2.92Å; R254-E401 IonicContact NH2-OE2 3.15Å; R254-E401 PolarHBondContact NH2-OE2 3.1Å
255	Q	74.1	Confident	72.3	Confident	166 Å²	166	87.3 Å²	87.3	78%	0.776	51%	0.505	S	S	*	.	H	α-helix	trans	-61.7	-30.6	-179.7	-68.8	175.9	9.9	0	0	113.8	E251 S252 S257	E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 2.82Å; E251-Q255 VanDerWaalsContact O-N 3.12Å; S252-Q255 PolarHBondContact O-N 3.44Å; Q255-S257 VanDerWaalsContact C-N 3.26Å; Q255-S257 PolarHBondContact O-N 3.06Å
256	G	66.5	Low	71.3	Confident	69 Å²	69	81.4 Å²	81.4	71%	0.711	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.6	176	0	0	0	0	0	115	S252 N253 R254	S252-G256 PolarHBondContact O-N 3.15Å; N253-G256 PolarHBondContact O-N 2.89Å; R254-G256 VanDerWaalsContact C-N 3.27Å; R254-G256 PolarHBondContact O-N 3.39Å
257	S	60.8	Low	70.3	Confident	75 Å²	75	86.2 Å²	86.2	52%	0.524	51%	0.505	S	S	.	.			trans	-105.5	88.1	-175	-58.1	0	0	0	0	110.5	N253 R254 Q255 S259	N253-S257 PolarHBondContact O-OG 3.39Å; R254-S257 PolarHBondContact O-N 2.9Å; Q255-S257 VanDerWaalsContact C-N 3.26Å; Q255-S257 PolarHBondContact O-N 3.06Å; S257-S259 PolarHBondContact O-N 3.13Å
258	S	48.3	Very low	69.2	Low	130 Å²	130	87.8 Å²	87.8	91%	0.909	52%	0.521	S	S	*	.			trans	-73.1	33.2	-173.3	68.2	0	0	0	0	115.5
259	S	47.6	Very low	68.4	Low	80 Å²	80	89.4 Å²	89.4	56%	0.559	53%	0.529	S	S	*	.			trans	-104.4	122.9	174.5	56	0	0	0	0	109.8	S257 M261	S257-S259 PolarHBondContact O-N 3.13Å; S259-M261 PolarHBondContact O-N 2.77Å
260	D	41.3	Very low	67.8	Low	171 Å²	171	89.6 Å²	89.6	91%	0.914	53%	0.527	S	S	*	.			trans	-74.3	45	-174.3	-160.6	22	0	0	0	113.9
261	M	44.5	Very low	67.4	Low	166 Å²	166	89.6 Å²	89.6	82%	0.818	53%	0.528	S	S	*	.			trans	-91.7	109.4	172.2	-74.5	-73.7	-73.4	0	0	107.8	S259	S259-M261 PolarHBondContact O-N 2.77Å
262	G	46	Very low	67.5	Low	69 Å²	69	88.8 Å²	88.8	71%	0.711	52%	0.523	S	S	*	.			trans	-51	145.4	-167.6	0	0	0	0	0	115.3	S264	G262-S264 PolarHBondContact O-N 3.32Å
263	V	50.5	Low	67.9	Low	100 Å²	100	85.7 Å²	85.7	61%	0.606	50%	0.501	S	S	*	.			trans	-50.5	110.4	-175.7	-178	0	0	0	0	111.1	K265	V263-K265 PolarHBondContact O-N 3.29Å
264	S	58.5	Low	68.4	Low	66 Å²	66	82.3 Å²	82.3	46%	0.462	48%	0.483	S	S	.	.			trans	-75.2	73.2	-178	-171.2	0	0	0	0	111.6	G262	G262-S264 PolarHBondContact O-N 3.32Å
265	K	67.5	Low	69.1	Low	131 Å²	131	79.8 Å²	79.8	57%	0.57	47%	0.473	S	S	*	.			trans	-53.8	145.2	165.4	-62.4	-171.4	172.6	-85.1	0	109.9	V263 H267 D396	V263-K265 PolarHBondContact O-N 3.29Å; K265-H267 PolarHBondContact O-N 2.85Å; K265-D396 WeakPolarHBondContact CA-OD1 3.35Å; K265-D396 VanDerWaalsContact CB-OD1 3.29Å; K265-D396 WeakPolarHBondContact CB-OD1 3.43Å; K265-D396 VanDerWaalsContact CG-OD1 3.3Å; K265-D396 WeakPolarHBondContact CG-OD1 3.13Å; K265-D396 IonicContact NZ-OD2 2.61Å; K265-D396 PolarHBondContact NZ-OD2 2.93Å
266	F	74.1	Confident	70.2	Confident	27 Å²	27	71.9 Å²	71.9	12%	0.118	44%	0.436	C	S	.	.			trans	-67.8	114.3	-178.8	177.3	-107.5	0	0	0	111.1	D270 F272 K389 C392 S393	F266-D270 HydrophobicContact CD2-CB 3.93Å; F266-D270 HydrophobicContact CE2-CB 3.72Å; F266-F272 HydrophobicContact CE2-CB 4.3Å; F266-F272 HydrophobicContact CZ-CB 4.02Å; F266-K389 HydrophobicContact CE1-CG 4.05Å; F266-K389 HydrophobicContact CZ-CB 4.4Å; F266-K389 HydrophobicContact CZ-CG 4.16Å; F266-C392 HydrophobicContact CB-CB 4.05Å; F266-C392 HydrophobicContact CD1-CB 4.01Å; F266-C392 HydrophobicContact CD2-CB 3.51Å; F266-C392 HydrophobicContact CE1-CB 4.36Å; F266-C392 HydrophobicContact CE2-CB 3.89Å; F266-C392 HydrophobicContact CG-CB 3.58Å; F266-C392 HydrophobicContact CZ-CB 4.31Å; F266-S393 WeakPolarHBondContact CD1-OG 3.27Å
267	H	74.5	Confident	71.8	Confident	101 Å²	101	70.4 Å²	70.4	47%	0.468	41%	0.412	S	S	.	.			trans	-86.7	145.9	178.2	-164.2	-105.2	0	0	0	110.9	K265 D269 D270	K265-H267 PolarHBondContact O-N 2.85Å; H267-D269 IonicContact CE1-OD2 3.24Å; H267-D269 PolarHBondContact CE1-OD2 2.85Å; H267-D269 PolarHBondContact ND1-N 3Å; H267-D269 IonicContact ND1-OD2 3.16Å; H267-D269 PolarHBondContact ND1-OD2 2.66Å; H267-D269 PolarHBondContact O-N 3.1Å; H267-D270 PolarHBondContact N-OD2 3.31Å; H267-D270 VanDerWaalsContact O-CB 3.28Å; H267-D270 WeakPolarHBondContact O-CB 3.14Å; H267-D270 PolarHBondContact O-N 3.09Å
268	P	71.1	Confident	73.5	Confident	91 Å²	91	66.9 Å²	66.9	59%	0.591	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.4	178.5	-28.7	37.2	0	0	0	115.8
269	D	75.8	Confident	75.8	Confident	115 Å²	115	60.8 Å²	60.8	62%	0.615	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-4.9	176	-61.4	-41	0	0	0	114.2	H267	H267-D269 IonicContact CE1-OD2 3.24Å; H267-D269 PolarHBondContact CE1-OD2 2.85Å; H267-D269 PolarHBondContact ND1-N 3Å; H267-D269 IonicContact ND1-OD2 3.16Å; H267-D269 PolarHBondContact ND1-OD2 2.66Å; H267-D269 PolarHBondContact O-N 3.1Å
270	D	80.6	Confident	78	Confident	42 Å²	42	57.5 Å²	57.5	23%	0.225	32%	0.322	C	S	.	.	S	Bend	trans	-65.5	144.5	-177.6	-78.4	-19.8	0	0	0	111.4	F266 H267 F272	F266-D270 HydrophobicContact CD2-CB 3.93Å; F266-D270 HydrophobicContact CE2-CB 3.72Å; H267-D270 PolarHBondContact N-OD2 3.31Å; H267-D270 VanDerWaalsContact O-CB 3.28Å; H267-D270 WeakPolarHBondContact O-CB 3.14Å; H267-D270 PolarHBondContact O-N 3.09Å; D270-F272 WeakPolarHBondContact O-CD1 3.17Å; D270-F272 PolarHBondContact O-N 3.31Å
271	P	84.7	Confident	80.6	Confident	7 Å²	7	49.6 Å²	49.6	5%	0.045	28%	0.279	C	S	.	.			trans	-66.9	100.9	179.5	27.1	-33.8	0	0	0	111	I422 G423 V443 V444 T445	P271-I422 HydrophobicContact CB-CG2 4.06Å; P271-I422 HydrophobicContact CG-CG2 4.08Å; P271-I422 WeakPolarHBondContact O-CG2 3.38Å; P271-G423 CarbonylContact C-O 3.56Å; P271-V443 HydrophobicContact CG-CG1 3.58Å; P271-V444 WeakPolarHBondContact CB-O 3.24Å; P271-T445 HydrophobicContact CG-CG2 4.45Å
272	F	92.3	Very high	83.1	Confident	56 Å²	56	42.3 Å²	42.3	25%	0.246	24%	0.243	C	C	.	.			trans	-95.6	-5.3	-169	62.3	-93.3	0	0	0	115	F266 D270 N387 L388 K389 G423	F266-F272 HydrophobicContact CE2-CB 4.3Å; F266-F272 HydrophobicContact CZ-CB 4.02Å; D270-F272 WeakPolarHBondContact O-CD1 3.17Å; D270-F272 PolarHBondContact O-N 3.31Å; F272-N387 WeakPolarHBondContact CD2-OD1 3.4Å; F272-L388 WeakPolarHBondContact O-CB 3.49Å; F272-L388 PolarHBondContact O-N 3.43Å; F272-K389 HydrophobicContact CB-CB 4.06Å; F272-K389 HydrophobicContact CD2-CB 4.15Å; F272-K389 HydrophobicContact CG-CB 4.22Å; F272-G423 PolarHBondContact N-O 2.99Å
273	I	96.6	Very high	85.5	Confident	11 Å²	11	39 Å²	39	6%	0.056	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.6	174.6	-59.6	-56.7	0	0	0	109.4	Y385 L386 N387 I422 G423 K426 A429 V515	I273-Y385 HydrophobicContact CG2-CD1 4.38Å; I273-L386 WeakPolarHBondContact CA-O 3.32Å; I273-N387 HydrophobicContact CD1-CB 3.94Å; I273-I422 CarbonylContact O-C 3.58Å; I273-I422 WeakPolarHBondContact O-CA 3.44Å; I273-G423 WeakPolarHBondContact CA-O 3.47Å; I273-G423 WeakPolarHBondContact CB-O 3.29Å; I273-G423 PolarHBondContact N-O 2.98Å; I273-G423 PolarHBondContact O-N 3.37Å; I273-G423 VanDerWaalsContact O-O 3.09Å; I273-K426 HydrophobicContact CG2-CG 4.05Å; I273-A429 HydrophobicContact CG2-CB 3.95Å; I273-A429 WeakPolarHBondContact O-CB 3.39Å; I273-V515 HydrophobicContact CD1-CG2 3.77Å
274	A	97.6	Very high	87.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	154.1	171.8	0	0	0	0	0	111.7	L276 Y385 L386 L388 I403 G421 I422	A274-L276 HydrophobicContact CB-CD1 4.19Å; A274-Y385 CarbonylContact O-C 3.57Å; A274-Y385 VanDerWaalsContact O-CA 3.25Å; A274-Y385 WeakPolarHBondContact O-CA 3.48Å; A274-L386 HydrophobicContact CB-CB 4.45Å; A274-L386 PolarHBondContact N-O 3.04Å; A274-L386 PolarHBondContact O-N 2.78Å; A274-L388 HydrophobicContact CB-CD1 3.67Å; A274-L388 HydrophobicContact CB-CG 4.17Å; A274-I403 HydrophobicContact CB-CD1 3.61Å; A274-I403 HydrophobicContact CB-CG1 4.05Å; A274-G421 CarbonylContact C-O 3.59Å; A274-G421 VanDerWaalsContact CA-O 3.31Å; A274-G421 WeakPolarHBondContact CA-O 3.46Å; A274-I422 HydrophobicContact CB-CG1 4.18Å
275	H	98.3	Very high	89.5	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121	173.1	172.2	-88.5	0	0	0	107.9	E383 M384 Y385 A420 G421 A429 R430 T433	H275-E383 WeakPolarHBondContact NE2-CG 3.31Å; H275-E383 IonicContact NE2-OE1 2.75Å; H275-E383 PolarHBondContact NE2-OE1 2.85Å; H275-E383 IonicContact NE2-OE2 3.05Å; H275-M384 WeakPolarHBondContact CA-O 3.49Å; H275-Y385 HydrophobicContact CB-CD1 3.73Å; H275-Y385 HydrophobicContact CB-CE1 3.81Å; H275-Y385 AromaticContact CD2-CD1 3.75Å; H275-Y385 AromaticContact CD2-CE1 3.36Å; H275-Y385 WeakPolarHBondContact CD2-CE1 3.19Å; H275-Y385 AromaticContact CD2-CZ 3.61Å; H275-Y385 AromaticContact CG-CE1 3.91Å; H275-A420 VanDerWaalsContact O-CA 3.25Å; H275-A420 WeakPolarHBondContact O-CA 3.48Å; H275-G421 PolarHBondContact N-O 3.4Å; H275-G421 PolarHBondContact O-N 3.06Å; H275-A429 HydrophobicContact CB-CB 4.03Å; H275-R430 PolarHBondContact NE2-NH1 3.4Å; H275-T433 WeakPolarHBondContact ND1-CB 3.41Å; H275-T433 PolarHBondContact ND1-OG1 3.46Å; H275-T433 PolarHBondContact O-OG1 2.83Å
276	L	98	Very high	90.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.3	-178.6	-67	82.6	0	0	0	109.7	A274 F365 E383 M384 L386 I403 I410 A420	A274-L276 HydrophobicContact CB-CD1 4.19Å; L276-F365 HydrophobicContact CB-CE2 4.38Å; L276-F365 HydrophobicContact CB-CZ 4.11Å; L276-E383 WeakPolarHBondContact O-CA 3.28Å; L276-M384 HydrophobicContact CB-CG 4.16Å; L276-M384 PolarHBondContact N-O 2.69Å; L276-M384 PolarHBondContact O-N 3.47Å; L276-L386 HydrophobicContact CD1-CD1 3.52Å; L276-L386 HydrophobicContact CD1-CG 3.78Å; L276-I403 HydrophobicContact CD1-CD1 3.7Å; L276-I403 HydrophobicContact CD2-CD1 4.22Å; L276-I403 HydrophobicContact CG-CD1 4.14Å; L276-I410 HydrophobicContact CD2-CD1 3.99Å; L276-A420 HydrophobicContact CG-CB 4.21Å
277	D	98.2	Very high	91.7	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.203	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	117.1	-171.7	174.6	-32.5	0	0	0	109.6	D279 D382 S419 T433 K437	D277-D279 PolarHBondContact O-N 3.32Å; D277-D382 WeakPolarHBondContact CA-O 3.42Å; D277-S419 PolarHBondContact N-O 3.31Å; D277-S419 PolarHBondContact O-N 2.97Å; D277-T433 HydrophobicContact CB-CG2 3.92Å; D277-K437 PolarHBondContact O-NZ 2.93Å; D277-K437 WeakPolarHBondContact OD1-CE 3.41Å; D277-K437 IonicContact OD1-NZ 2.68Å; D277-K437 PolarHBondContact OD1-NZ 3.3Å; D277-K437 WeakPolarHBondContact OD2-CE 3.46Å; D277-K437 IonicContact OD2-NZ 3.99Å
278	L	97.8	Very high	92.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128	-178.2	-59.9	-178.5	0	0	0	111.8	C280 F281 V361 F365 D382 I410 A418	L278-C280 PolarHBondContact O-N 3.29Å; L278-F281 HydrophobicContact CB-CB 4.49Å; L278-F281 HydrophobicContact CB-CD2 4.29Å; L278-F281 HydrophobicContact CD1-CD2 3.74Å; L278-F281 HydrophobicContact CD1-CE2 3.92Å; L278-V361 HydrophobicContact CD1-CG1 4.35Å; L278-F365 HydrophobicContact CD1-CB 4.27Å; L278-F365 HydrophobicContact CD1-CD1 3.9Å; L278-F365 HydrophobicContact CD1-CE1 4.39Å; L278-F365 HydrophobicContact CD1-CG 4.08Å; L278-F365 HydrophobicContact CD2-CD1 4.31Å; L278-F365 HydrophobicContact CD2-CD2 3.91Å; L278-F365 HydrophobicContact CD2-CE1 4.38Å; L278-F365 HydrophobicContact CD2-CE2 3.99Å; L278-F365 HydrophobicContact CD2-CG 4.08Å; L278-F365 HydrophobicContact CD2-CZ 4.22Å; L278-F365 HydrophobicContact CG-CD1 4.05Å; L278-F365 HydrophobicContact CG-CE1 4.07Å; L278-F365 HydrophobicContact CG-CG 4.27Å; L278-F365 HydrophobicContact CG-CZ 4.31Å; L278-D382 HydrophobicContact CB-CB 4.04Å; L278-D382 HydrophobicContact CD1-CB 4.22Å; L278-D382 HydrophobicContact CG-CB 4.27Å; L278-D382 PolarHBondContact N-O 3.16Å; L278-I410 HydrophobicContact CD2-CG2 3.97Å; L278-A418 HydrophobicContact CD2-CB 3.88Å
279	D	96.4	Very high	93.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.011	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	121.8	-172.4	-83.9	-48.5	0	0	0	113.2	D277 F281 S284 Y325 S417 S419 K437 N439	D277-D279 PolarHBondContact O-N 3.32Å; D279-F281 PolarHBondContact O-N 3.48Å; D279-S284 WeakPolarHBondContact O-CB 3.4Å; D279-S284 PolarHBondContact O-OG 3.16Å; D279-Y325 HydrophobicContact CB-CE2 4.03Å; D279-Y325 PolarHBondContact OD1-OH 3.19Å; D279-S417 WeakPolarHBondContact CB-OG 3.12Å; D279-S417 PolarHBondContact N-O 3.39Å; D279-S419 PolarHBondContact OD1-OG 2.94Å; D279-S419 PolarHBondContact OD2-N 3.11Å; D279-S419 PolarHBondContact OD2-OG 2.91Å; D279-K437 WeakPolarHBondContact OD1-CG 3.41Å; D279-K437 IonicContact OD1-NZ 2.74Å; D279-K437 PolarHBondContact OD1-NZ 2.89Å; D279-N439 WeakPolarHBondContact OD2-CA 3.42Å; D279-N439 PolarHBondContact OD2-N 3.04Å
280	C	94	Very high	94.4	Very high	12 Å²	12	22.9 Å²	22.9	8%	0.081	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	24.1	-177.2	60.3	0	0	0	0	115.5	L278 F282 V283 S284 S322 C323 Y325	L278-C280 PolarHBondContact O-N 3.29Å; C280-F282 PolarHBondContact O-N 2.85Å; C280-V283 PolarHBondContact O-N 3.2Å; C280-S284 PolarHBondContact SG-OG 3.17Å; C280-S322 VanDerWaalsContact C-OG 3.25Å; C280-S322 WeakPolarHBondContact CA-OG 3.42Å; C280-S322 WeakPolarHBondContact CB-OG 3.14Å; C280-S322 WeakPolarHBondContact O-CB 3.43Å; C280-S322 PolarHBondContact O-OG 2.93Å; C280-C323 VanDerWaalsContact CB-O 3.32Å; C280-C323 WeakPolarHBondContact CB-O 3.44Å; C280-Y325 HydrophobicContact CB-CE2 4.31Å
281	F	96.5	Very high	94.9	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.022	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	4.8	-81.6	-175.3	-175.4	-129.9	0	0	0	116.4	L278 D279 V283 S284 V285 C358 V361 C381 D382	L278-F281 HydrophobicContact CB-CB 4.49Å; L278-F281 HydrophobicContact CB-CD2 4.29Å; L278-F281 HydrophobicContact CD1-CD2 3.74Å; L278-F281 HydrophobicContact CD1-CE2 3.92Å; D279-F281 PolarHBondContact O-N 3.48Å; F281-V283 VanDerWaalsContact C-N 3.25Å; F281-V283 PolarHBondContact O-N 3.23Å; F281-V283 VanDerWaalsContact O-N 3.12Å; F281-S284 PolarHBondContact O-N 3.49Å; F281-V285 HydrophobicContact CD2-CG2 3.91Å; F281-V285 HydrophobicContact CE2-CG2 3.79Å; F281-V285 WeakPolarHBondContact O-CG2 3.46Å; F281-V285 PolarHBondContact O-N 3.01Å; F281-C358 HydrophobicContact CE1-CB 4.09Å; F281-C358 HydrophobicContact CZ-CB 3.84Å; F281-C358 WeakPolarHBondContact CZ-O 3.49Å; F281-V361 HydrophobicContact CE2-CG1 4.11Å; F281-C381 HydrophobicContact CE1-CB 4.48Å; F281-D382 HydrophobicContact CB-CB 3.97Å; F281-D382 WeakPolarHBondContact CB-OD2 3.37Å; F281-D382 HydrophobicContact CD1-CB 3.96Å; F281-D382 HydrophobicContact CD2-CB 4.09Å; F281-D382 HydrophobicContact CE1-CB 4.48Å; F281-D382 HydrophobicContact CG-CB 3.76Å
282	F	96.7	Very high	95.3	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.057	15%	0.145	C	C	.	.	H	α-helix	trans	-52.6	-36.6	-176.9	-63.1	-46.3	0	0	0	114.7	F217 I218 C280 S286 V300 A321 C358	F217-F282 HydrophobicContact CD1-CE1 4.37Å; F217-F282 HydrophobicContact CE1-CE1 4.21Å; I218-F282 HydrophobicContact CD1-CE2 4.02Å; I218-F282 HydrophobicContact CD1-CZ 3.81Å; I218-F282 HydrophobicContact CG1-CZ 3.87Å; C280-F282 PolarHBondContact O-N 2.85Å; F282-S286 WeakPolarHBondContact O-CB 3.5Å; F282-S286 PolarHBondContact O-N 3.09Å; F282-S286 VanDerWaalsContact O-N 3.09Å; F282-S286 PolarHBondContact O-OG 3.17Å; F282-V300 HydrophobicContact CB-CB 4.22Å; F282-V300 HydrophobicContact CB-CG1 4.35Å; F282-V300 HydrophobicContact CB-CG2 4.11Å; F282-A321 HydrophobicContact CD2-CB 3.7Å; F282-A321 HydrophobicContact CE2-CB 4.07Å; F282-C358 HydrophobicContact CD1-CB 4.46Å; F282-C358 HydrophobicContact CE1-CB 4.44Å
283	V	96.6	Very high	95.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-73.2	-46.7	177.1	175.3	0	0	0	0	110.4	C280 F281 V285 S286 L287 V298 V300 S322 N324	C280-V283 PolarHBondContact O-N 3.2Å; F281-V283 VanDerWaalsContact C-N 3.25Å; F281-V283 PolarHBondContact O-N 3.23Å; F281-V283 VanDerWaalsContact O-N 3.12Å; V283-V285 VanDerWaalsContact C-N 3.3Å; V283-V285 PolarHBondContact O-N 2.98Å; V283-S286 PolarHBondContact O-N 3.24Å; V283-S286 VanDerWaalsContact O-N 3.08Å; V283-L287 HydrophobicContact CG1-CD1 3.7Å; V283-L287 HydrophobicContact CG1-CG 4.01Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 WeakPolarHBondContact O-CG 3.5Å; V283-L287 PolarHBondContact O-N 2.95Å; V283-V298 HydrophobicContact CG1-CB 4.06Å; V283-V298 HydrophobicContact CG1-CG1 3.72Å; V283-V300 HydrophobicContact CG2-CG2 3.93Å; V283-S322 VanDerWaalsContact CG2-O 3.31Å; V283-S322 WeakPolarHBondContact CG2-O 3.41Å; V283-N324 HydrophobicContact CG1-CB 3.85Å
284	S	95.9	Very high	95.2	Very high	21 Å²	21	34.6 Å²	34.6	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-40.1	177.5	-63.6	0	0	0	0	112.7	D279 C280 F281 L287	D279-S284 WeakPolarHBondContact O-CB 3.4Å; D279-S284 PolarHBondContact O-OG 3.16Å; C280-S284 PolarHBondContact SG-OG 3.17Å; F281-S284 PolarHBondContact O-N 3.49Å; S284-L287 PolarHBondContact O-N 3.09Å
285	V	95.9	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-45.8	172.5	174.6	0	0	0	0	111.1	F281 V283 L287 Q288 R357 V361	F281-V285 HydrophobicContact CD2-CG2 3.91Å; F281-V285 HydrophobicContact CE2-CG2 3.79Å; F281-V285 WeakPolarHBondContact O-CG2 3.46Å; F281-V285 PolarHBondContact O-N 3.01Å; V283-V285 VanDerWaalsContact C-N 3.3Å; V283-V285 PolarHBondContact O-N 2.98Å; V285-L287 PolarHBondContact O-N 2.77Å; V285-Q288 WeakPolarHBondContact O-CB 3.15Å; V285-Q288 WeakPolarHBondContact O-CG 3.44Å; V285-Q288 PolarHBondContact O-N 2.92Å; V285-R357 HydrophobicContact CG1-CB 3.93Å; V285-R357 HydrophobicContact CG1-CG 3.59Å; V285-V361 HydrophobicContact CG2-CB 4.19Å; V285-V361 HydrophobicContact CG2-CG1 4.13Å; V285-V361 HydrophobicContact CG2-CG2 4.25Å
286	S	94.5	Very high	94.8	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-37.7	179	-56.8	0	0	0	0	112.6	F282 V283 Q288 K289 Y290	F282-S286 WeakPolarHBondContact O-CB 3.5Å; F282-S286 PolarHBondContact O-N 3.09Å; F282-S286 VanDerWaalsContact O-N 3.09Å; F282-S286 PolarHBondContact O-OG 3.17Å; V283-S286 PolarHBondContact O-N 3.24Å; V283-S286 VanDerWaalsContact O-N 3.08Å; S286-Q288 PolarHBondContact O-N 3.22Å; S286-K289 PolarHBondContact O-N 2.65Å; S286-Y290 VanDerWaalsContact O-CD2 3.31Å; S286-Y290 WeakPolarHBondContact O-CD2 3.15Å; S286-Y290 PolarHBondContact O-N 2.95Å
287	L	94.2	Very high	94.7	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.084	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	0.4	177.4	-71.2	176.7	0	0	0	114.4	V283 S284 V285 L293 R294 V298	V283-L287 HydrophobicContact CG1-CD1 3.7Å; V283-L287 HydrophobicContact CG1-CG 4.01Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 WeakPolarHBondContact O-CG 3.5Å; V283-L287 PolarHBondContact O-N 2.95Å; S284-L287 PolarHBondContact O-N 3.09Å; V285-L287 PolarHBondContact O-N 2.77Å; L287-L293 HydrophobicContact CD2-CB 3.63Å; L287-R294 HydrophobicContact CB-CG 4.39Å; L287-R294 HydrophobicContact CD2-CG 4.43Å; L287-R294 PolarHBondContact O-NE 3.1Å; L287-R294 VanDerWaalsContact O-NE 3.1Å; L287-R294 PolarHBondContact O-NH2 3.45Å; L287-V298 HydrophobicContact CD2-CG1 4.45Å; L287-V298 HydrophobicContact CD2-CG2 4.39Å
288	Q	92.1	Very high	94.6	Very high	45 Å²	45	39.5 Å²	39.5	21%	0.21	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-36.5	163.5	-57.3	-176.5	12.6	0	0	111.4	V285 S286 T414 C416	V285-Q288 WeakPolarHBondContact O-CB 3.15Å; V285-Q288 WeakPolarHBondContact O-CG 3.44Å; V285-Q288 PolarHBondContact O-N 2.92Å; S286-Q288 PolarHBondContact O-N 3.22Å; Q288-T414 PolarHBondContact NE2-O 3.02Å; Q288-C416 PolarHBondContact NE2-SG 3Å; Q288-C416 VanDerWaalsContact NE2-SG 3.36Å
289	K	92.5	Very high	94.6	Very high	123 Å²	123	39.4 Å²	39.4	54%	0.535	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.1	178.4	-68.8	-177.4	175.6	174.5	0	113.7	S286 D354	S286-K289 PolarHBondContact O-N 2.65Å; K289-D354 WeakPolarHBondContact CD-OD2 3.44Å; K289-D354 VanDerWaalsContact CE-OD2 3.27Å; K289-D354 WeakPolarHBondContact CE-OD2 3.47Å; K289-D354 IonicContact NZ-OD1 3.51Å; K289-D354 IonicContact NZ-OD2 3.75Å; K289-D354 PolarHBondContact NZ-OD2 2.93Å
290	Y	92.4	Very high	94.5	Very high	82 Å²	82	39.3 Å²	39.3	32%	0.322	20%	0.202	S	C	.	.			trans	-128.5	65.7	179.8	-54.9	-75.2	0	0	0	111.2	S286 E292 L293 L351	S286-Y290 VanDerWaalsContact O-CD2 3.31Å; S286-Y290 WeakPolarHBondContact O-CD2 3.15Å; S286-Y290 PolarHBondContact O-N 2.95Å; Y290-E292 VanDerWaalsContact CA-OE2 3.23Å; Y290-E292 WeakPolarHBondContact CA-OE2 3.41Å; Y290-E292 WeakPolarHBondContact CB-OE1 3.46Å; Y290-E292 PolarHBondContact O-N 2.89Å; Y290-L293 HydrophobicContact CG-CD1 4.35Å; Y290-L293 PolarHBondContact O-N 2.83Å; Y290-L351 HydrophobicContact CD1-CD2 4.47Å; Y290-L351 HydrophobicContact CD2-CD1 3.83Å; Y290-L351 HydrophobicContact CD2-CD2 3.7Å; Y290-L351 HydrophobicContact CD2-CG 4.39Å; Y290-L351 HydrophobicContact CE2-CD1 4.48Å; Y290-L351 HydrophobicContact CE2-CD2 3.86Å; Y290-L351 HydrophobicContact CG-CD1 4.44Å; Y290-L351 HydrophobicContact CG-CD2 4.04Å
291	P	90.8	Very high	94.5	Very high	73 Å²	73	38.8 Å²	38.8	47%	0.474	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-61.7	-26.2	-177.9	27.4	-35.9	0	0	0	113.5	L293 R294	P291-L293 PolarHBondContact O-N 2.99Å; P291-R294 WeakPolarHBondContact O-CG 3.42Å; P291-R294 PolarHBondContact O-N 3.18Å
292	E	94.3	Very high	94.2	Very high	119 Å²	119	43.2 Å²	43.2	56%	0.556	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-68	-10.4	176.9	77.5	-66.9	165.4	0	0	114.2	Y290	Y290-E292 VanDerWaalsContact CA-OE2 3.23Å; Y290-E292 WeakPolarHBondContact CA-OE2 3.41Å; Y290-E292 WeakPolarHBondContact CB-OE1 3.46Å; Y290-E292 PolarHBondContact O-N 2.89Å
293	L	94.2	Very high	93.5	Very high	26 Å²	26	43.9 Å²	43.9	14%	0.136	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-102.1	2.5	178.7	-58.4	-177.2	0	0	0	113.8	L287 Y290 P291 L296 V298 K349 L351	L287-L293 HydrophobicContact CD2-CB 3.63Å; Y290-L293 HydrophobicContact CG-CD1 4.35Å; Y290-L293 PolarHBondContact O-N 2.83Å; P291-L293 PolarHBondContact O-N 2.99Å; L293-L296 HydrophobicContact CD2-CD1 4.11Å; L293-L296 WeakPolarHBondContact O-CB 3.25Å; L293-L296 PolarHBondContact O-N 3.06Å; L293-V298 HydrophobicContact CB-CG2 3.97Å; L293-K349 HydrophobicContact CD2-CG 4.34Å; L293-L351 HydrophobicContact CD1-CD1 4.21Å; L293-L351 HydrophobicContact CD1-CD2 3.79Å; L293-L351 HydrophobicContact CD1-CG 4.29Å
294	R	91.4	Very high	92.1	Very high	143 Å²	143	50.7 Å²	50.7	54%	0.54	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	135.7	176.6	-65	173.7	-176.6	-172.8	2.8	110.2	L287 P291 L296	L287-R294 HydrophobicContact CB-CG 4.39Å; L287-R294 HydrophobicContact CD2-CG 4.43Å; L287-R294 PolarHBondContact O-NE 3.1Å; L287-R294 VanDerWaalsContact O-NE 3.1Å; L287-R294 PolarHBondContact O-NH2 3.45Å; P291-R294 WeakPolarHBondContact O-CG 3.42Å; P291-R294 PolarHBondContact O-N 3.18Å; R294-L296 VanDerWaalsContact C-N 3.25Å; R294-L296 PolarHBondContact O-N 3.41Å
295	G	92.3	Very high	90.2	Very high	55 Å²	55	50.5 Å²	50.5	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-1.8	-174.9	0	0	0	0	0	114.9	E326	G295-E326 VanDerWaalsContact CA-OE1 3.3Å; G295-E326 WeakPolarHBondContact CA-OE1 3.42Å; G295-E326 PolarHBondContact N-OE1 2.91Å
296	L	95.8	Very high	88.2	Confident	72 Å²	72	60.3 Å²	60.3	38%	0.377	30%	0.295	S	S	.	.	S	Bend	trans	-100.7	154.9	174.6	-58.3	-174.9	0	0	0	111	L293 R294 V298 N324	L293-L296 HydrophobicContact CD2-CD1 4.11Å; L293-L296 WeakPolarHBondContact O-CB 3.25Å; L293-L296 PolarHBondContact O-N 3.06Å; R294-L296 VanDerWaalsContact C-N 3.25Å; R294-L296 PolarHBondContact O-N 3.41Å; L296-V298 HydrophobicContact CB-CG2 4.42Å; L296-V298 WeakPolarHBondContact O-CG2 3.35Å; L296-V298 PolarHBondContact O-N 3.27Å; L296-V298 VanDerWaalsContact O-N 3.14Å; L296-N324 PolarHBondContact O-ND2 3.38Å
297	P	96.5	Very high	85.9	Confident	16 Å²	16	61.7 Å²	61.7	10%	0.104	31%	0.31	C	S	.	.			trans	-67.8	111.6	174.4	27.2	-34.2	0	0	0	110.9	A327 F330 L348 K349	P297-A327 HydrophobicContact CB-CB 4.05Å; P297-F330 HydrophobicContact CB-CD2 4.38Å; P297-F330 HydrophobicContact CB-CE2 4.24Å; P297-F330 HydrophobicContact CG-CE2 4.34Å; P297-L348 HydrophobicContact CB-CD1 3.95Å; P297-K349 PolarHBondContact O-N 3.03Å
298	V	96.2	Very high	83.4	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.8	-171.4	176.1	0	0	0	0	111.3	V283 L287 L293 L296 N324 K349 L351	V283-V298 HydrophobicContact CG1-CB 4.06Å; V283-V298 HydrophobicContact CG1-CG1 3.72Å; L287-V298 HydrophobicContact CD2-CG1 4.45Å; L287-V298 HydrophobicContact CD2-CG2 4.39Å; L293-V298 HydrophobicContact CB-CG2 3.97Å; L296-V298 HydrophobicContact CB-CG2 4.42Å; L296-V298 WeakPolarHBondContact O-CG2 3.35Å; L296-V298 PolarHBondContact O-N 3.27Å; L296-V298 VanDerWaalsContact O-N 3.14Å; V298-N324 PolarHBondContact N-OD1 2.81Å; V298-N324 PolarHBondContact O-N 3.26Å; V298-N324 VanDerWaalsContact O-N 3.15Å; V298-N324 PolarHBondContact O-OD1 3.28Å; V298-N324 VanDerWaalsContact O-OD1 3.07Å; V298-K349 WeakPolarHBondContact CA-O 3.41Å; V298-K349 HydrophobicContact CG2-CB 4.16Å; V298-L351 HydrophobicContact CG1-CD1 3.6Å; V298-L351 HydrophobicContact CG1-CG 4.02Å
299	V	96.8	Very high	80.9	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.8	175.7	-60.7	0	0	0	0	112	I320 S322 C323 A327 I332 L338 L348 K349 S350 L351	V299-I320 HydrophobicContact CB-CD1 4.38Å; V299-I320 HydrophobicContact CB-CG1 4.13Å; V299-I320 HydrophobicContact CB-CG2 3.98Å; V299-I320 HydrophobicContact CG1-CD1 4.01Å; V299-I320 HydrophobicContact CG1-CG1 4.28Å; V299-I320 HydrophobicContact CG1-CG2 4.01Å; V299-I320 HydrophobicContact CG2-CD1 4.43Å; V299-I320 HydrophobicContact CG2-CG1 4.22Å; V299-S322 VanDerWaalsContact CA-O 3.3Å; V299-S322 WeakPolarHBondContact CA-O 3.3Å; V299-C323 HydrophobicContact CG1-CB 3.72Å; V299-A327 HydrophobicContact CG1-CB 4.48Å; V299-I332 HydrophobicContact CG1-CG2 4.37Å; V299-L338 HydrophobicContact CG2-CD1 3.61Å; V299-L348 HydrophobicContact CG1-CD1 3.85Å; V299-L348 HydrophobicContact CG1-CD2 4.18Å; V299-L348 HydrophobicContact CG1-CG 4.25Å; V299-L348 HydrophobicContact CG2-CD2 4.09Å; V299-L348 HydrophobicContact CG2-CG 4.16Å; V299-K349 WeakPolarHBondContact CG2-O 3.42Å; V299-K349 PolarHBondContact N-O 3.46Å; V299-S350 WeakPolarHBondContact O-CA 3.5Å; V299-L351 PolarHBondContact O-N 3.1Å
300	V	95.8	Very high	78.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.8	168.8	171.9	0	0	0	0	110.2	F282 V283 A321 S322 L351 Y353	F282-V300 HydrophobicContact CB-CB 4.22Å; F282-V300 HydrophobicContact CB-CG1 4.35Å; F282-V300 HydrophobicContact CB-CG2 4.11Å; V283-V300 HydrophobicContact CG2-CG2 3.93Å; V300-A321 HydrophobicContact CB-CB 4.39Å; V300-A321 HydrophobicContact CG1-CB 4.25Å; V300-A321 WeakPolarHBondContact O-CB 3.49Å; V300-A321 PolarHBondContact O-N 2.87Å; V300-S322 PolarHBondContact N-O 2.9Å; V300-L351 WeakPolarHBondContact CA-O 3.47Å; V300-L351 HydrophobicContact CG2-CB 4.28Å; V300-Y353 HydrophobicContact CG1-CD1 3.53Å; V300-Y353 HydrophobicContact CG1-CD2 4.22Å; V300-Y353 HydrophobicContact CG1-CE1 3.75Å; V300-Y353 HydrophobicContact CG1-CE2 4.38Å; V300-Y353 HydrophobicContact CG1-CG 3.82Å
301	A	93.5	Very high	76	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	39%	0.385	C	S	.	.			trans	-158.6	163.2	177.4	0	0	0	0	0	111.6	S303 L338 L351	A301-S303 VanDerWaalsContact C-N 3.29Å; A301-S303 PolarHBondContact O-N 2.99Å; A301-L338 HydrophobicContact CB-CD2 4.42Å; A301-L351 PolarHBondContact N-O 3.37Å; A301-L351 VanDerWaalsContact O-O 3.13Å
302	H	88.9	Confident	73.6	Confident	99 Å²	99	76.4 Å²	76.4	46%	0.458	39%	0.392	S	S	.	.	S	Bend	trans	-68.8	-28.7	177.2	-61.4	-77.6	0	0	0	112.7	H212 S318 Y353	H212-H302 PolarHBondContact O-CE1 3.06Å; H302-S318 PolarHBondContact N-OG 3.16Å; H302-Y353 AromaticContact CD2-CE2 3.58Å; H302-Y353 AromaticContact CE1-CD2 3.71Å; H302-Y353 AromaticContact CE1-CE2 3.17Å; H302-Y353 WeakPolarHBondContact CE1-CE2 3.45Å; H302-Y353 AromaticContact CE1-CZ 3.83Å; H302-Y353 AromaticContact CG-CE2 3.67Å; H302-Y353 AromaticContact ND1-CD2 3.87Å; H302-Y353 AromaticContact ND1-CE2 3.44Å; H302-Y353 WeakPolarHBondContact ND1-CE2 2.95Å; H302-Y353 AromaticContact NE2-CE2 3.23Å; H302-Y353 WeakPolarHBondContact NE2-CE2 3.35Å; H302-Y353 AromaticContact NE2-CZ 3.5Å; H302-Y353 PolarHBondContact NE2-OH 3.36Å; H302-Y353 VanDerWaalsContact NE2-OH 3.1Å
303	S	82.9	Confident	71.3	Confident	27 Å²	27	76.7 Å²	76.7	19%	0.189	39%	0.392	C	S	.	.	S	Bend	trans	-88.1	119.2	178.4	178	0	0	0	0	110.8	A301 G305 S316 S318 L338 S350	A301-S303 VanDerWaalsContact C-N 3.29Å; A301-S303 PolarHBondContact O-N 2.99Å; S303-G305 PolarHBondContact O-N 3.1Å; S303-S316 WeakPolarHBondContact CB-OG 3.28Å; S303-S316 PolarHBondContact OG-OG 3.41Å; S303-S318 VanDerWaalsContact CB-CB 3.48Å; S303-S318 PolarHBondContact N-OG 3.17Å; S303-L338 WeakPolarHBondContact O-CD2 3.4Å; S303-S350 WeakPolarHBondContact O-CB 3.5Å; S303-S350 PolarHBondContact O-OG 2.92Å
304	R	67.6	Low	69.3	Low	143 Å²	143	77.8 Å²	77.8	54%	0.54	40%	0.4	S	S	.	.			trans	-75	34.5	178.4	-71.1	-178.8	165.6	137.8	-8.9	114.1	K306	R304-K306 PolarHBondContact O-N 3.38Å
305	G	56.3	Low	67.9	Low	16 Å²	16	74.5 Å²	74.5	17%	0.165	40%	0.399	C	S	.	.	S	Bend	trans	69.4	-33.2	175.7	0	0	0	0	0	116.4	S303 G307 Q342	S303-G305 PolarHBondContact O-N 3.1Å; G305-G307 PolarHBondContact O-N 2.76Å; G305-Q342 PolarHBondContact O-NE2 2.86Å; G305-Q342 VanDerWaalsContact O-NE2 3.12Å
306	K	54.1	Low	67.3	Low	207 Å²	207	72.7 Å²	72.7	90%	0.9	38%	0.378	S	S	*	.			trans	-73.8	42.8	175.3	-59.8	-174.2	-179.9	-177	0	112.6	R304	R304-K306 PolarHBondContact O-N 3.38Å
307	G	46.2	Very low	66.8	Low	34 Å²	34	74.4 Å²	74.4	35%	0.351	38%	0.379	S	S	.	.			trans	-58.6	145.2	166.6	0	0	0	0	0	109.6	G305 V309	G305-G307 PolarHBondContact O-N 2.76Å; G307-V309 PolarHBondContact O-N 3.1Å
308	R	40.9	Very low	66.5	Low	222 Å²	222	74.5 Å²	74.5	84%	0.838	38%	0.38	S	S	*	.			trans	-55.2	113	-173.8	-61	178.5	-171.4	173.8	1.8	109.8	K310	R308-K310 PolarHBondContact O-N 2.82Å
309	V	40.6	Very low	66.4	Low	112 Å²	112	77.9 Å²	77.9	68%	0.679	40%	0.396	S	S	*	.			trans	-73	80.7	166.3	-175.9	0	0	0	0	107.3	G307	G307-V309 PolarHBondContact O-N 3.1Å
310	K	39	Very low	66.3	Low	147 Å²	147	77.9 Å²	77.9	64%	0.639	40%	0.396	S	S	*	.	S	Bend	trans	-86.4	131.5	153.5	-86.3	-158.9	164.1	-152.5	0	107.1	R308 G312 H313	R308-K310 PolarHBondContact O-N 2.82Å; K310-G312 PolarHBondContact O-N 3.49Å; K310-H313 PolarHBondContact O-N 3.42Å
311	D	42.3	Very low	66.3	Low	108 Å²	108	78.4 Å²	78.4	58%	0.578	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	32.7	161.6	-45.2	-51.4	0	0	0	114.4	E86 H313	E86-D311 HydrophobicContact CG-CB 4.29Å; D311-H313 PolarHBondContact O-N 3.41Å; D311-H313 VanDerWaalsContact O-N 3.11Å
312	G	40.6	Very low	66.4	Low	59 Å²	59	78.6 Å²	78.6	61%	0.608	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-14.1	175.7	0	0	0	0	0	116.3	K310 V314	K310-G312 PolarHBondContact O-N 3.49Å; G312-V314 PolarHBondContact O-N 2.85Å
313	H	46.4	Very low	66.8	Low	124 Å²	124	73.9 Å²	73.9	57%	0.574	38%	0.38	S	S	*	.			trans	-90.4	104.3	-172.9	-83	-58.3	0	0	0	113.9	K310 D311 S315	K310-H313 PolarHBondContact O-N 3.42Å; D311-H313 PolarHBondContact O-N 3.41Å; D311-H313 VanDerWaalsContact O-N 3.11Å; H313-S315 WeakPolarHBondContact O-CB 3.43Å; H313-S315 PolarHBondContact O-N 3.16Å; H313-S315 PolarHBondContact O-OG 2.68Å
314	V	51.3	Low	67.5	Low	50 Å²	50	72.7 Å²	72.7	30%	0.303	37%	0.372	S	S	.	.			trans	-65.8	96	169.4	-171.4	0	0	0	0	109.7	G312 G339 Q342	G312-V314 PolarHBondContact O-N 2.85Å; V314-G339 WeakPolarHBondContact O-CA 3.48Å; V314-Q342 HydrophobicContact CG1-CB 3.77Å; V314-Q342 VanDerWaalsContact CG1-CD 3.49Å; V314-Q342 HydrophobicContact CG1-CG 4.25Å; V314-Q342 VanDerWaalsContact CG1-OE1 3.26Å
315	S	62.3	Low	68.8	Low	73 Å²	73	68.4 Å²	68.4	51%	0.51	36%	0.356	S	S	.	.			trans	-116.3	37.1	-160.4	45.8	0	0	0	0	113.4	H313 W317	H313-S315 WeakPolarHBondContact O-CB 3.43Å; H313-S315 PolarHBondContact O-N 3.16Å; H313-S315 PolarHBondContact O-OG 2.68Å; S315-W317 PolarHBondContact O-N 2.93Å; S315-W317 VanDerWaalsContact O-N 3.17Å
316	S	79.5	Confident	70.8	Confident	17 Å²	17	70.7 Å²	70.7	12%	0.119	36%	0.362	C	S	.	.			trans	-77.1	103.9	-178.1	-165.2	0	0	0	0	112.9	S303 S318 L338 G339	S303-S316 WeakPolarHBondContact CB-OG 3.28Å; S303-S316 PolarHBondContact OG-OG 3.41Å; S316-S318 PolarHBondContact O-N 2.91Å; S316-S318 VanDerWaalsContact O-N 3.15Å; S316-L338 PolarHBondContact O-N 2.74Å; S316-G339 PolarHBondContact O-N 2.93Å
317	W	84.8	Confident	72.8	Confident	108 Å²	108	60.8 Å²	60.8	41%	0.409	32%	0.319	S	S	.	.			trans	-75.1	13.8	171.2	-61.9	84.1	0	0	0	114.1	S315 L337 M581 K582	S315-W317 PolarHBondContact O-N 2.93Å; S315-W317 VanDerWaalsContact O-N 3.17Å; W317-L337 HydrophobicContact CD2-CD1 4.26Å; W317-L337 HydrophobicContact CE3-CD1 3.53Å; W317-L337 HydrophobicContact CZ3-CD1 3.81Å; W317-M581 HydrophobicContact CD2-CB 4.4Å; W317-M581 HydrophobicContact CE3-CB 4.29Å; W317-M581 HydrophobicContact CH2-CB 3.68Å; W317-M581 HydrophobicContact CH2-CE 4.01Å; W317-M581 HydrophobicContact CH2-CG 4.32Å; W317-M581 HydrophobicContact CH2-SD 3.8Å; W317-M581 HydrophobicContact CZ2-CB 3.78Å; W317-M581 HydrophobicContact CZ2-CG 4.49Å; W317-M581 HydrophobicContact CZ2-SD 4.32Å; W317-M581 HydrophobicContact CZ3-CB 3.95Å; W317-M581 HydrophobicContact CZ3-CE 4.22Å; W317-K582 HydrophobicContact CB-CB 4.29Å; W317-K582 HydrophobicContact CB-CG 4.13Å; W317-K582 PolarHBondContact O-NZ 3.37Å
318	S	90.4	Very high	75.2	Confident	18 Å²	18	62.9 Å²	62.9	13%	0.126	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-70.9	138.8	169.2	-154.1	0	0	0	0	108.9	H302 S303 S316 L337 L338	H302-S318 PolarHBondContact N-OG 3.16Å; S303-S318 VanDerWaalsContact CB-CB 3.48Å; S303-S318 PolarHBondContact N-OG 3.17Å; S316-S318 PolarHBondContact O-N 2.91Å; S316-S318 VanDerWaalsContact O-N 3.15Å; S318-L337 WeakPolarHBondContact O-CA 2.96Å; S318-L338 WeakPolarHBondContact O-CB 3.4Å; S318-L338 PolarHBondContact O-N 3.38Å
319	E	93.4	Very high	77.8	Confident	72 Å²	72	56.7 Å²	56.7	34%	0.336	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-97.1	130.9	-174.9	-167.8	-173.2	126.6	0	0	109.5	R214 A321	R214-E319 IonicContact CZ-OE1 2.68Å; R214-E319 PolarHBondContact NH1-O 3.1Å; R214-E319 VanDerWaalsContact NH2-CG 3.33Å; R214-E319 IonicContact NH2-OE1 3.85Å; R214-E319 PolarHBondContact NH2-OE1 2.95Å; E319-A321 PolarHBondContact O-N 2.88Å
320	I	95.7	Very high	80.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-67.5	126	177.8	-71.5	163.1	0	0	0	109.4	R214 V299 S322 C323 I332 G335 M336 L338 A341	R214-I320 PolarHBondContact NH2-O 2.89Å; R214-I320 VanDerWaalsContact NH2-O 3.1Å; V299-I320 HydrophobicContact CB-CD1 4.38Å; V299-I320 HydrophobicContact CB-CG1 4.13Å; V299-I320 HydrophobicContact CB-CG2 3.98Å; V299-I320 HydrophobicContact CG1-CD1 4.01Å; V299-I320 HydrophobicContact CG1-CG1 4.28Å; V299-I320 HydrophobicContact CG1-CG2 4.01Å; V299-I320 HydrophobicContact CG2-CD1 4.43Å; V299-I320 HydrophobicContact CG2-CG1 4.22Å; I320-S322 WeakPolarHBondContact CG2-O 3.35Å; I320-C323 HydrophobicContact CG2-CB 4.23Å; I320-I332 HydrophobicContact CD1-CG2 3.91Å; I320-G335 PolarHBondContact O-N 2.97Å; I320-M336 WeakPolarHBondContact CB-O 3.33Å; I320-M336 HydrophobicContact CD1-CB 4.38Å; I320-M336 PolarHBondContact N-O 3.31Å; I320-L338 HydrophobicContact CD1-CD1 4.24Å; I320-L338 HydrophobicContact CG1-CB 4.44Å; I320-L338 HydrophobicContact CG1-CD1 4.16Å; I320-A341 HydrophobicContact CD1-CB 3.37Å
321	A	95.3	Very high	83.1	Confident	11 Å²	11	50.5 Å²	50.5	9%	0.091	28%	0.28	C	S	.	.	S	Bend	trans	-79.3	-52.9	177.6	0	0	0	0	0	110.9	R214 F282 V300 E319 N334 Y353	R214-A321 VanDerWaalsContact CZ-CA 3.47Å; R214-A321 VanDerWaalsContact NH1-CA 3.29Å; R214-A321 VanDerWaalsContact NH1-CB 3.33Å; F282-A321 HydrophobicContact CD2-CB 3.7Å; F282-A321 HydrophobicContact CE2-CB 4.07Å; V300-A321 HydrophobicContact CB-CB 4.39Å; V300-A321 HydrophobicContact CG1-CB 4.25Å; V300-A321 WeakPolarHBondContact O-CB 3.49Å; V300-A321 PolarHBondContact O-N 2.87Å; E319-A321 PolarHBondContact O-N 2.88Å; A321-N334 PolarHBondContact O-ND2 2.82Å; A321-Y353 HydrophobicContact CB-CE1 3.53Å
322	S	96.6	Very high	85.6	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.028	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.3	173.3	-172.9	0	0	0	0	110.1	C280 V283 V299 V300 I320 N334	C280-S322 VanDerWaalsContact C-OG 3.25Å; C280-S322 WeakPolarHBondContact CA-OG 3.42Å; C280-S322 WeakPolarHBondContact CB-OG 3.14Å; C280-S322 WeakPolarHBondContact O-CB 3.43Å; C280-S322 PolarHBondContact O-OG 2.93Å; V283-S322 VanDerWaalsContact CG2-O 3.31Å; V283-S322 WeakPolarHBondContact CG2-O 3.41Å; V299-S322 VanDerWaalsContact CA-O 3.3Å; V299-S322 WeakPolarHBondContact CA-O 3.3Å; V300-S322 PolarHBondContact N-O 2.9Å; I320-S322 WeakPolarHBondContact CG2-O 3.35Å; S322-N334 WeakPolarHBondContact CA-OD1 3.48Å
323	C	96.6	Very high	88.2	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.1	170.7	58.4	0	0	0	0	109.2	C280 V299 I320 A327 R328 I332 N334	C280-C323 VanDerWaalsContact CB-O 3.32Å; C280-C323 WeakPolarHBondContact CB-O 3.44Å; V299-C323 HydrophobicContact CG1-CB 3.72Å; I320-C323 HydrophobicContact CG2-CB 4.23Å; C323-A327 HydrophobicContact CB-CB 4.07Å; C323-R328 PolarHBondContact O-NE 3.43Å; C323-R328 PolarHBondContact O-NH2 3.05Å; C323-R328 VanDerWaalsContact SG-CG 3.54Å; C323-I332 HydrophobicContact CB-CG2 4.15Å; C323-N334 PolarHBondContact N-OD1 3.07Å; C323-N334 VanDerWaalsContact N-OD1 3.09Å; C323-N334 PolarHBondContact SG-OD1 3.02Å
324	N	97.1	Very high	90.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.011	25%	0.249	C	C	.	.			trans	-74.3	171.6	172.2	66.4	-14.6	0	0	0	112	V283 L296 V298 E326 A327 R328	V283-N324 HydrophobicContact CG1-CB 3.85Å; L296-N324 PolarHBondContact O-ND2 3.38Å; V298-N324 PolarHBondContact N-OD1 2.81Å; V298-N324 PolarHBondContact O-N 3.26Å; V298-N324 VanDerWaalsContact O-N 3.15Å; V298-N324 PolarHBondContact O-OD1 3.28Å; V298-N324 VanDerWaalsContact O-OD1 3.07Å; N324-E326 VanDerWaalsContact C-N 3.26Å; N324-E326 VanDerWaalsContact CB-OE2 3.28Å; N324-E326 WeakPolarHBondContact CB-OE2 3.28Å; N324-E326 PolarHBondContact ND2-OE1 3.48Å; N324-E326 PolarHBondContact ND2-OE2 3.15Å; N324-E326 PolarHBondContact O-N 3.43Å; N324-A327 PolarHBondContact O-N 3.26Å; N324-A327 VanDerWaalsContact O-N 3.1Å; N324-A327 WeakPolarHBondContact OD1-CB 3.21Å; N324-A327 PolarHBondContact OD1-N 2.91Å; N324-R328 WeakPolarHBondContact O-CG 3.44Å; N324-R328 PolarHBondContact O-N 3.07Å
325	Y	95.9	Very high	92.5	Very high	52 Å²	52	48.6 Å²	48.6	20%	0.204	26%	0.256	C	S	.	.	H	α-helix	trans	-70.6	-28.5	-172.9	-67.2	-92.2	0	0	0	111.6	D279 C280 A327 R328 S329 K437 P438	D279-Y325 HydrophobicContact CB-CE2 4.03Å; D279-Y325 PolarHBondContact OD1-OH 3.19Å; C280-Y325 HydrophobicContact CB-CE2 4.31Å; Y325-A327 VanDerWaalsContact C-N 3.3Å; Y325-A327 PolarHBondContact O-N 3.02Å; Y325-R328 PolarHBondContact O-N 3.25Å; Y325-R328 VanDerWaalsContact O-N 3.17Å; Y325-R328 PolarHBondContact OH-NH1 3.02Å; Y325-S329 PolarHBondContact O-N 2.96Å; Y325-K437 HydrophobicContact CE1-CB 4.31Å; Y325-P438 HydrophobicContact CD1-CB 3.86Å; Y325-P438 HydrophobicContact CD1-CG 4.02Å; Y325-P438 HydrophobicContact CD2-CB 3.74Å; Y325-P438 HydrophobicContact CD2-CG 4.48Å; Y325-P438 HydrophobicContact CE1-CB 3.79Å; Y325-P438 HydrophobicContact CE1-CG 4.31Å; Y325-P438 HydrophobicContact CE2-CB 3.67Å; Y325-P438 HydrophobicContact CG-CB 3.84Å; Y325-P438 HydrophobicContact CG-CG 4.12Å
326	E	97	Very high	94	Very high	64 Å²	64	47.2 Å²	47.2	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-27.5	171.1	-50.3	95.1	111.6	0	0	112.8	G295 N324 S329 F330	G295-E326 VanDerWaalsContact CA-OE1 3.3Å; G295-E326 WeakPolarHBondContact CA-OE1 3.42Å; G295-E326 PolarHBondContact N-OE1 2.91Å; N324-E326 VanDerWaalsContact C-N 3.26Å; N324-E326 VanDerWaalsContact CB-OE2 3.28Å; N324-E326 WeakPolarHBondContact CB-OE2 3.28Å; N324-E326 PolarHBondContact ND2-OE1 3.48Å; N324-E326 PolarHBondContact ND2-OE2 3.15Å; N324-E326 PolarHBondContact O-N 3.43Å; E326-S329 PolarHBondContact O-OG 2.96Å; E326-F330 WeakPolarHBondContact O-CD2 3.08Å; E326-F330 VanDerWaalsContact O-CE2 3.28Å; E326-F330 WeakPolarHBondContact O-CE2 3.44Å
327	A	97.2	Very high	94.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-83.6	-35.5	167.8	0	0	0	0	0	112.1	P297 V299 C323 N324 Y325 S329 F330 I332 L348	P297-A327 HydrophobicContact CB-CB 4.05Å; V299-A327 HydrophobicContact CG1-CB 4.48Å; C323-A327 HydrophobicContact CB-CB 4.07Å; N324-A327 PolarHBondContact O-N 3.26Å; N324-A327 VanDerWaalsContact O-N 3.1Å; N324-A327 WeakPolarHBondContact OD1-CB 3.21Å; N324-A327 PolarHBondContact OD1-N 2.91Å; Y325-A327 VanDerWaalsContact C-N 3.3Å; Y325-A327 PolarHBondContact O-N 3.02Å; A327-S329 VanDerWaalsContact C-N 3.28Å; A327-S329 PolarHBondContact O-N 3.26Å; A327-F330 PolarHBondContact O-N 3.15Å; A327-F330 VanDerWaalsContact O-N 3.16Å; A327-I332 HydrophobicContact CB-CB 4.48Å; A327-I332 HydrophobicContact CB-CD1 4.3Å; A327-I332 WeakPolarHBondContact O-CB 3.16Å; A327-L348 HydrophobicContact CB-CD1 4Å
328	R	96.2	Very high	94.9	Very high	77 Å²	77	43.2 Å²	43.2	29%	0.291	23%	0.227	S	C	.	.	H	α-helix	trans	-64.5	-28.7	179.9	-68	169.9	-163.5	-166.4	0.3	113.4	C323 N324 Y325 F330 G331 I332	C323-R328 PolarHBondContact O-NE 3.43Å; C323-R328 PolarHBondContact O-NH2 3.05Å; C323-R328 VanDerWaalsContact SG-CG 3.54Å; N324-R328 WeakPolarHBondContact O-CG 3.44Å; N324-R328 PolarHBondContact O-N 3.07Å; Y325-R328 PolarHBondContact O-N 3.25Å; Y325-R328 VanDerWaalsContact O-N 3.17Å; Y325-R328 PolarHBondContact OH-NH1 3.02Å; R328-F330 PolarHBondContact O-N 3.44Å; R328-G331 WeakPolarHBondContact O-CA 3.3Å; R328-G331 PolarHBondContact O-N 2.76Å; R328-I332 WeakPolarHBondContact CA-O 3.37Å
329	S	95.5	Very high	94.9	Very high	93 Å²	93	42.5 Å²	42.5	65%	0.65	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.5	173.6	60.4	0	0	0	0	112.9	Y325 E326 A327 G331	Y325-S329 PolarHBondContact O-N 2.96Å; E326-S329 PolarHBondContact O-OG 2.96Å; A327-S329 VanDerWaalsContact C-N 3.28Å; A327-S329 PolarHBondContact O-N 3.26Å; S329-G331 PolarHBondContact O-N 3.26Å
330	F	96	Very high	94.8	Very high	98 Å²	98	42.3 Å²	42.3	43%	0.43	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	11.7	170.5	-59.8	-85.7	0	0	0	113.3	P297 E326 A327 R328 I332 C345	P297-F330 HydrophobicContact CB-CD2 4.38Å; P297-F330 HydrophobicContact CB-CE2 4.24Å; P297-F330 HydrophobicContact CG-CE2 4.34Å; E326-F330 WeakPolarHBondContact O-CD2 3.08Å; E326-F330 VanDerWaalsContact O-CE2 3.28Å; E326-F330 WeakPolarHBondContact O-CE2 3.44Å; A327-F330 PolarHBondContact O-N 3.15Å; A327-F330 VanDerWaalsContact O-N 3.16Å; R328-F330 PolarHBondContact O-N 3.44Å; F330-I332 VanDerWaalsContact C-N 3.29Å; F330-I332 HydrophobicContact CB-CD1 4.32Å; F330-I332 HydrophobicContact CB-CG1 4.44Å; F330-I332 PolarHBondContact O-N 3.45Å; F330-C345 HydrophobicContact CB-CB 4.11Å; F330-C345 HydrophobicContact CD1-CB 4.37Å; F330-C345 HydrophobicContact CD2-CB 4.37Å; F330-C345 HydrophobicContact CG-CB 4.03Å
331	G	94.9	Very high	94.6	Very high	30 Å²	30	42.3 Å²	42.3	31%	0.309	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	2.6	179.7	0	0	0	0	0	115.5	R328 S329 R333	R328-G331 WeakPolarHBondContact O-CA 3.3Å; R328-G331 PolarHBondContact O-N 2.76Å; S329-G331 PolarHBondContact O-N 3.26Å; G331-R333 WeakPolarHBondContact O-CG 3.41Å; G331-R333 PolarHBondContact O-NE 3.05Å
332	I	95.9	Very high	94.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.225	C	C	.	.			trans	-68	145.9	178.5	-59.5	168.7	0	0	0	110.3	V299 I320 C323 A327 R328 F330 M336 A341 L344 C345 L348	V299-I332 HydrophobicContact CG1-CG2 4.37Å; I320-I332 HydrophobicContact CD1-CG2 3.91Å; C323-I332 HydrophobicContact CB-CG2 4.15Å; A327-I332 HydrophobicContact CB-CB 4.48Å; A327-I332 HydrophobicContact CB-CD1 4.3Å; A327-I332 WeakPolarHBondContact O-CB 3.16Å; R328-I332 WeakPolarHBondContact CA-O 3.37Å; F330-I332 VanDerWaalsContact C-N 3.29Å; F330-I332 HydrophobicContact CB-CD1 4.32Å; F330-I332 HydrophobicContact CB-CG1 4.44Å; F330-I332 PolarHBondContact O-N 3.45Å; I332-M336 HydrophobicContact CB-SD 4.45Å; I332-M336 HydrophobicContact CG1-SD 4.47Å; I332-M336 HydrophobicContact CG2-SD 4.26Å; I332-A341 HydrophobicContact CD1-CB 4.07Å; I332-A341 HydrophobicContact CG1-CB 4Å; I332-A341 HydrophobicContact CG2-CB 3.85Å; I332-L344 HydrophobicContact CG1-CB 4.28Å; I332-L344 HydrophobicContact CG1-CD1 4.21Å; I332-C345 HydrophobicContact CD1-CB 3.66Å; I332-L348 HydrophobicContact CD1-CD1 3.61Å; I332-L348 HydrophobicContact CD1-CD2 3.94Å; I332-L348 HydrophobicContact CD1-CG 4.36Å
333	R	95.1	Very high	94.2	Very high	176 Å²	176	48.8 Å²	48.8	66%	0.664	25%	0.25	S	C	*	.			trans	-140.7	153.7	-174.1	-49.2	-178	-164.6	-162.3	-0.1	111.3	G331 M336	G331-R333 WeakPolarHBondContact O-CG 3.41Å; G331-R333 PolarHBondContact O-NE 3.05Å; R333-M336 HydrophobicContact CG-CE 4.32Å; R333-M336 WeakPolarHBondContact O-CB 3.49Å; R333-M336 PolarHBondContact O-N 3.01Å; R333-M336 VanDerWaalsContact O-N 3.16Å
334	N	94.7	Very high	94	Very high	80 Å²	80	53 Å²	53	43%	0.428	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	141.4	166.4	-61.4	15.3	0	0	0	109.2	A321 S322 C323 M336	A321-N334 PolarHBondContact O-ND2 2.82Å; S322-N334 WeakPolarHBondContact CA-OD1 3.48Å; C323-N334 PolarHBondContact N-OD1 3.07Å; C323-N334 VanDerWaalsContact N-OD1 3.09Å; C323-N334 PolarHBondContact SG-OD1 3.02Å; N334-M336 VanDerWaalsContact C-N 3.27Å; N334-M336 PolarHBondContact O-N 2.96Å
335	G	92.3	Very high	93.8	Very high	44 Å²	44	53 Å²	53	45%	0.454	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-8.1	-174.5	0	0	0	0	0	115.4	I320	I320-G335 PolarHBondContact O-N 2.97Å
336	M	93.1	Very high	93.5	Very high	43 Å²	43	56.1 Å²	56.1	21%	0.212	30%	0.298	C	S	.	.			trans	-69.6	148.1	172.9	-171.5	177	-76.6	0	0	111	I320 I332 R333 N334 A341 L344	I320-M336 WeakPolarHBondContact CB-O 3.33Å; I320-M336 HydrophobicContact CD1-CB 4.38Å; I320-M336 PolarHBondContact N-O 3.31Å; I332-M336 HydrophobicContact CB-SD 4.45Å; I332-M336 HydrophobicContact CG1-SD 4.47Å; I332-M336 HydrophobicContact CG2-SD 4.26Å; R333-M336 HydrophobicContact CG-CE 4.32Å; R333-M336 WeakPolarHBondContact O-CB 3.49Å; R333-M336 PolarHBondContact O-N 3.01Å; R333-M336 VanDerWaalsContact O-N 3.16Å; N334-M336 VanDerWaalsContact C-N 3.27Å; N334-M336 PolarHBondContact O-N 2.96Å; M336-A341 HydrophobicContact CG-CB 4.36Å; M336-A341 HydrophobicContact SD-CB 3.83Å; M336-L344 HydrophobicContact CE-CD1 3.96Å; M336-L344 HydrophobicContact SD-CD1 3.89Å
337	L	92.6	Very high	93.2	Very high	42 Å²	42	56.3 Å²	56.3	22%	0.22	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-71.6	135.6	171.1	-59.8	-178.8	0	0	0	110.2	W317 S318 G339 D340 A341	W317-L337 HydrophobicContact CD2-CD1 4.26Å; W317-L337 HydrophobicContact CE3-CD1 3.53Å; W317-L337 HydrophobicContact CZ3-CD1 3.81Å; S318-L337 WeakPolarHBondContact O-CA 2.96Å; L337-G339 VanDerWaalsContact C-N 3.27Å; L337-G339 PolarHBondContact O-N 3.48Å; L337-D340 PolarHBondContact O-N 3.08Å; L337-A341 PolarHBondContact O-N 3.31Å
338	L	92	Very high	93	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-38.8	-177	-177.6	68.3	0	0	0	111.8	V299 A301 S303 S316 S318 I320 D340 A341 Q342 L348	V299-L338 HydrophobicContact CG2-CD1 3.61Å; A301-L338 HydrophobicContact CB-CD2 4.42Å; S303-L338 WeakPolarHBondContact O-CD2 3.4Å; S316-L338 PolarHBondContact O-N 2.74Å; S318-L338 WeakPolarHBondContact O-CB 3.4Å; S318-L338 PolarHBondContact O-N 3.38Å; I320-L338 HydrophobicContact CD1-CD1 4.24Å; I320-L338 HydrophobicContact CG1-CB 4.44Å; I320-L338 HydrophobicContact CG1-CD1 4.16Å; L338-D340 VanDerWaalsContact C-N 3.28Å; L338-D340 PolarHBondContact O-N 3.01Å; L338-A341 PolarHBondContact O-N 3.04Å; L338-Q342 HydrophobicContact CD1-CG 4.41Å; L338-Q342 HydrophobicContact CG-CG 4.35Å; L338-Q342 WeakPolarHBondContact O-CB 3.46Å; L338-Q342 VanDerWaalsContact O-CG 3.27Å; L338-Q342 WeakPolarHBondContact O-CG 3.48Å; L338-Q342 PolarHBondContact O-N 2.9Å; L338-L348 HydrophobicContact CD1-CD2 4.1Å
339	G	89.4	Confident	92.9	Very high	3 Å²	3	57.8 Å²	57.8	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-32.3	176.6	0	0	0	0	0	113.7	V314 S316 L337 K343	V314-G339 WeakPolarHBondContact O-CA 3.48Å; S316-G339 PolarHBondContact O-N 2.93Å; L337-G339 VanDerWaalsContact C-N 3.27Å; L337-G339 PolarHBondContact O-N 3.48Å; G339-K343 WeakPolarHBondContact O-CE 3.23Å; G339-K343 WeakPolarHBondContact O-CG 3.42Å; G339-K343 PolarHBondContact O-N 3.06Å
340	D	91.1	Very high	92.8	Very high	68 Å²	68	54.4 Å²	54.4	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-79.7	-39	175.7	-64	-46.1	0	0	0	111.6	L337 L338 Q342 K343 L344	L337-D340 PolarHBondContact O-N 3.08Å; L338-D340 VanDerWaalsContact C-N 3.28Å; L338-D340 PolarHBondContact O-N 3.01Å; D340-Q342 VanDerWaalsContact C-N 3.3Å; D340-Q342 PolarHBondContact O-N 3.38Å; D340-K343 WeakPolarHBondContact O-CB 3.4Å; D340-K343 PolarHBondContact O-N 3.41Å; D340-K343 IonicContact OD1-NZ 3.03Å; D340-K343 PolarHBondContact OD1-NZ 3.25Å; D340-L344 PolarHBondContact O-N 2.97Å
341	A	92.6	Very high	92.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-36.9	172.4	0	0	0	0	0	112.6	I320 I332 M336 L337 L338 K343 L344 C345 L348	I320-A341 HydrophobicContact CD1-CB 3.37Å; I332-A341 HydrophobicContact CD1-CB 4.07Å; I332-A341 HydrophobicContact CG1-CB 4Å; I332-A341 HydrophobicContact CG2-CB 3.85Å; M336-A341 HydrophobicContact CG-CB 4.36Å; M336-A341 HydrophobicContact SD-CB 3.83Å; L337-A341 PolarHBondContact O-N 3.31Å; L338-A341 PolarHBondContact O-N 3.04Å; A341-K343 VanDerWaalsContact C-N 3.27Å; A341-K343 PolarHBondContact O-N 3Å; A341-L344 PolarHBondContact O-N 2.95Å; A341-C345 PolarHBondContact O-N 3.01Å; A341-L348 HydrophobicContact CB-CD2 3.64Å
342	Q	91.3	Very high	92.6	Very high	28 Å²	28	50.6 Å²	50.6	13%	0.131	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-19.5	174.2	-72.4	178.8	-81.4	0	0	113.3	G305 V314 L338 D340 C345 P346 L348	G305-Q342 PolarHBondContact O-NE2 2.86Å; G305-Q342 VanDerWaalsContact O-NE2 3.12Å; V314-Q342 HydrophobicContact CG1-CB 3.77Å; V314-Q342 VanDerWaalsContact CG1-CD 3.49Å; V314-Q342 HydrophobicContact CG1-CG 4.25Å; V314-Q342 VanDerWaalsContact CG1-OE1 3.26Å; L338-Q342 HydrophobicContact CD1-CG 4.41Å; L338-Q342 HydrophobicContact CG-CG 4.35Å; L338-Q342 WeakPolarHBondContact O-CB 3.46Å; L338-Q342 VanDerWaalsContact O-CG 3.27Å; L338-Q342 WeakPolarHBondContact O-CG 3.48Å; L338-Q342 PolarHBondContact O-N 2.9Å; D340-Q342 VanDerWaalsContact C-N 3.3Å; D340-Q342 PolarHBondContact O-N 3.38Å; Q342-C345 CarbonylContact O-C 3.59Å; Q342-P346 WeakPolarHBondContact O-CA 3.31Å; Q342-L348 HydrophobicContact CG-CD2 4.24Å
343	K	91	Very high	92.5	Very high	123 Å²	123	52.1 Å²	52.1	54%	0.535	28%	0.277	S	S	.	.	H	α-helix	trans	-77.3	-36.2	169.5	-63.1	162.9	-161.5	168.1	0	111.6	G339 D340 A341	G339-K343 WeakPolarHBondContact O-CE 3.23Å; G339-K343 WeakPolarHBondContact O-CG 3.42Å; G339-K343 PolarHBondContact O-N 3.06Å; D340-K343 WeakPolarHBondContact O-CB 3.4Å; D340-K343 PolarHBondContact O-N 3.41Å; D340-K343 IonicContact OD1-NZ 3.03Å; D340-K343 PolarHBondContact OD1-NZ 3.25Å; A341-K343 VanDerWaalsContact C-N 3.27Å; A341-K343 PolarHBondContact O-N 3Å
344	L	93.3	Very high	92.4	Very high	89 Å²	89	45.3 Å²	45.3	47%	0.466	25%	0.254	S	S	.	.	H	α-helix	trans	-72.8	-36	176	-62.6	176.5	0	0	0	112.2	I332 M336 D340 A341	I332-L344 HydrophobicContact CG1-CB 4.28Å; I332-L344 HydrophobicContact CG1-CD1 4.21Å; M336-L344 HydrophobicContact CE-CD1 3.96Å; M336-L344 HydrophobicContact SD-CD1 3.89Å; D340-L344 PolarHBondContact O-N 2.97Å; A341-L344 PolarHBondContact O-N 2.95Å
345	C	92.8	Very high	92.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	24%	0.24	C	C	.	.			trans	-138.2	93	180	-169.8	0	0	0	0	110.1	F330 I332 A341 Q342 S347 L348	F330-C345 HydrophobicContact CB-CB 4.11Å; F330-C345 HydrophobicContact CD1-CB 4.37Å; F330-C345 HydrophobicContact CD2-CB 4.37Å; F330-C345 HydrophobicContact CG-CB 4.03Å; I332-C345 HydrophobicContact CD1-CB 3.66Å; A341-C345 PolarHBondContact O-N 3.01Å; Q342-C345 CarbonylContact O-C 3.59Å; C345-S347 PolarHBondContact O-N 3.26Å; C345-S347 VanDerWaalsContact O-N 3.17Å; C345-S347 PolarHBondContact SG-OG 3.47Å; C345-S347 VanDerWaalsContact SG-OG 3.36Å; C345-L348 HydrophobicContact CB-CB 4.2Å; C345-L348 WeakPolarHBondContact O-CB 3.25Å; C345-L348 PolarHBondContact O-N 2.86Å; C345-L348 VanDerWaalsContact O-N 3.13Å
346	P	89.5	Confident	92.6	Very high	117 Å²	117	46.9 Å²	46.9	76%	0.76	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.1	179.9	-27.2	36.9	0	0	0	114.7	Q342	Q342-P346 WeakPolarHBondContact O-CA 3.31Å
347	S	90.8	Very high	92.6	Very high	68 Å²	68	48.3 Å²	48.3	48%	0.476	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.8	177.4	51.6	0	0	0	0	114.5	C345 K349	C345-S347 PolarHBondContact O-N 3.26Å; C345-S347 VanDerWaalsContact O-N 3.17Å; C345-S347 PolarHBondContact SG-OG 3.47Å; C345-S347 VanDerWaalsContact SG-OG 3.36Å; S347-K349 WeakPolarHBondContact O-CD 3.31Å; S347-K349 WeakPolarHBondContact O-CE 3.42Å; S347-K349 PolarHBondContact O-N 3.19Å
348	L	93.4	Very high	92.8	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.068	24%	0.243	C	C	.	.			trans	-52.9	126.1	-174.4	-169.1	70.1	0	0	0	113.2	P297 V299 A327 I332 L338 A341 Q342 C345	P297-L348 HydrophobicContact CB-CD1 3.95Å; V299-L348 HydrophobicContact CG1-CD1 3.85Å; V299-L348 HydrophobicContact CG1-CD2 4.18Å; V299-L348 HydrophobicContact CG1-CG 4.25Å; V299-L348 HydrophobicContact CG2-CD2 4.09Å; V299-L348 HydrophobicContact CG2-CG 4.16Å; A327-L348 HydrophobicContact CB-CD1 4Å; I332-L348 HydrophobicContact CD1-CD1 3.61Å; I332-L348 HydrophobicContact CD1-CD2 3.94Å; I332-L348 HydrophobicContact CD1-CG 4.36Å; L338-L348 HydrophobicContact CD1-CD2 4.1Å; A341-L348 HydrophobicContact CB-CD2 3.64Å; Q342-L348 HydrophobicContact CG-CD2 4.24Å; C345-L348 HydrophobicContact CB-CB 4.2Å; C345-L348 WeakPolarHBondContact O-CB 3.25Å; C345-L348 PolarHBondContact O-N 2.86Å; C345-L348 VanDerWaalsContact O-N 3.13Å
349	K	93.6	Very high	93	Very high	96 Å²	96	50.2 Å²	50.2	42%	0.417	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.3	177.5	-49.8	-59.8	-179.7	177.5	0	110.2	L293 P297 V298 V299 S347	L293-K349 HydrophobicContact CD2-CG 4.34Å; P297-K349 PolarHBondContact O-N 3.03Å; V298-K349 WeakPolarHBondContact CA-O 3.41Å; V298-K349 HydrophobicContact CG2-CB 4.16Å; V299-K349 WeakPolarHBondContact CG2-O 3.42Å; V299-K349 PolarHBondContact N-O 3.46Å; S347-K349 WeakPolarHBondContact O-CD 3.31Å; S347-K349 WeakPolarHBondContact O-CE 3.42Å; S347-K349 PolarHBondContact O-N 3.19Å
350	S	94.3	Very high	93.4	Very high	21 Å²	21	54.4 Å²	54.4	15%	0.147	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117	179.4	-171.5	0	0	0	0	111	V299 S303	V299-S350 WeakPolarHBondContact O-CA 3.5Å; S303-S350 WeakPolarHBondContact O-CB 3.5Å; S303-S350 PolarHBondContact O-OG 2.92Å
351	L	93.7	Very high	93.7	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.068	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	150.1	179.2	-68.1	179.4	0	0	0	111.7	Y290 L293 V298 V299 V300 A301	Y290-L351 HydrophobicContact CD1-CD2 4.47Å; Y290-L351 HydrophobicContact CD2-CD1 3.83Å; Y290-L351 HydrophobicContact CD2-CD2 3.7Å; Y290-L351 HydrophobicContact CD2-CG 4.39Å; Y290-L351 HydrophobicContact CE2-CD1 4.48Å; Y290-L351 HydrophobicContact CE2-CD2 3.86Å; Y290-L351 HydrophobicContact CG-CD1 4.44Å; Y290-L351 HydrophobicContact CG-CD2 4.04Å; L293-L351 HydrophobicContact CD1-CD1 4.21Å; L293-L351 HydrophobicContact CD1-CD2 3.79Å; L293-L351 HydrophobicContact CD1-CG 4.29Å; V298-L351 HydrophobicContact CG1-CD1 3.6Å; V298-L351 HydrophobicContact CG1-CG 4.02Å; V299-L351 PolarHBondContact O-N 3.1Å; V300-L351 WeakPolarHBondContact CA-O 3.47Å; V300-L351 HydrophobicContact CG2-CB 4.28Å; A301-L351 PolarHBondContact N-O 3.37Å; A301-L351 VanDerWaalsContact O-O 3.13Å
352	P	92.2	Very high	93.9	Very high	36 Å²	36	51.3 Å²	51.3	23%	0.234	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-70.1	169.6	170.4	34.3	-36.8	0	0	0	111.1
353	Y	93.4	Very high	94.1	Very high	34 Å²	34	52.9 Å²	52.9	13%	0.133	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-76.6	156.2	169	-58.7	-97.7	0	0	0	111.3	R214 V300 H302 A321 F355	R214-Y353 HydrophobicContact CB-CD1 4.36Å; R214-Y353 HydrophobicContact CB-CE1 3.7Å; R214-Y353 WeakPolarHBondContact CD-OH 3.39Å; R214-Y353 HydrophobicContact CG-CE1 4.27Å; R214-Y353 PolarHBondContact NH1-OH 3.22Å; V300-Y353 HydrophobicContact CG1-CD1 3.53Å; V300-Y353 HydrophobicContact CG1-CD2 4.22Å; V300-Y353 HydrophobicContact CG1-CE1 3.75Å; V300-Y353 HydrophobicContact CG1-CE2 4.38Å; V300-Y353 HydrophobicContact CG1-CG 3.82Å; H302-Y353 AromaticContact CD2-CE2 3.58Å; H302-Y353 AromaticContact CE1-CD2 3.71Å; H302-Y353 AromaticContact CE1-CE2 3.17Å; H302-Y353 WeakPolarHBondContact CE1-CE2 3.45Å; H302-Y353 AromaticContact CE1-CZ 3.83Å; H302-Y353 AromaticContact CG-CE2 3.67Å; H302-Y353 AromaticContact ND1-CD2 3.87Å; H302-Y353 AromaticContact ND1-CE2 3.44Å; H302-Y353 WeakPolarHBondContact ND1-CE2 2.95Å; H302-Y353 AromaticContact NE2-CE2 3.23Å; H302-Y353 WeakPolarHBondContact NE2-CE2 3.35Å; H302-Y353 AromaticContact NE2-CZ 3.5Å; H302-Y353 PolarHBondContact NE2-OH 3.36Å; H302-Y353 VanDerWaalsContact NE2-OH 3.1Å; A321-Y353 HydrophobicContact CB-CE1 3.53Å; Y353-F355 AromaticContact CD1-CE1 3.58Å; Y353-F355 HydrophobicContact CD1-CE1 3.58Å; Y353-F355 AromaticContact CD1-CZ 3.67Å; Y353-F355 HydrophobicContact CD1-CZ 3.67Å; Y353-F355 HydrophobicContact CD2-CZ 4.29Å; Y353-F355 HydrophobicContact CE1-CE1 4.3Å; Y353-F355 HydrophobicContact CE1-CZ 4.28Å; Y353-F355 AromaticContact CG-CE1 3.93Å; Y353-F355 HydrophobicContact CG-CE1 3.93Å; Y353-F355 HydrophobicContact CG-CE2 4.27Å; Y353-F355 AromaticContact CG-CZ 3.65Å; Y353-F355 HydrophobicContact CG-CZ 3.65Å
354	D	94.2	Very high	94.4	Very high	33 Å²	33	49.2 Å²	49.2	18%	0.176	26%	0.262	C	S	.	.			trans	-134.7	74	171.1	-168.2	-20.7	0	0	0	108.9	K289 N356 R357 C358	K289-D354 WeakPolarHBondContact CD-OD2 3.44Å; K289-D354 VanDerWaalsContact CE-OD2 3.27Å; K289-D354 WeakPolarHBondContact CE-OD2 3.47Å; K289-D354 IonicContact NZ-OD1 3.51Å; K289-D354 IonicContact NZ-OD2 3.75Å; K289-D354 PolarHBondContact NZ-OD2 2.93Å; D354-N356 VanDerWaalsContact C-N 3.25Å; D354-N356 PolarHBondContact O-N 2.99Å; D354-R357 HydrophobicContact CB-CB 4.29Å; D354-R357 VanDerWaalsContact CG-CB 3.43Å; D354-R357 PolarHBondContact O-N 3.39Å; D354-R357 WeakPolarHBondContact OD1-CB 3.42Å; D354-R357 PolarHBondContact OD1-N 3.38Å; D354-R357 VanDerWaalsContact OD1-N 3.11Å; D354-C358 WeakPolarHBondContact O-CB 3.46Å; D354-C358 PolarHBondContact O-N 3.31Å; D354-C358 PolarHBondContact O-SG 3.48Å
355	F	94.7	Very high	94.6	Very high	34 Å²	34	45 Å²	45	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-34.9	-172.6	-66.1	-52	0	0	0	112.6	D211 R214 F217 Y353 C358 K359	D211-F355 WeakPolarHBondContact O-CD2 3.46Å; D211-F355 VanDerWaalsContact O-CE2 3.25Å; D211-F355 WeakPolarHBondContact O-CE2 3.43Å; R214-F355 HydrophobicContact CB-CE1 3.93Å; R214-F355 HydrophobicContact CB-CZ 4.05Å; F217-F355 HydrophobicContact CB-CD1 4.02Å; F217-F355 HydrophobicContact CB-CE1 4.14Å; F217-F355 AromaticContact CD1-CD1 3.73Å; F217-F355 HydrophobicContact CD1-CD1 3.73Å; F217-F355 HydrophobicContact CD1-CE1 4.23Å; F217-F355 HydrophobicContact CD2-CB 3.77Å; F217-F355 AromaticContact CD2-CD1 3.84Å; F217-F355 HydrophobicContact CD2-CD1 3.84Å; F217-F355 HydrophobicContact CD2-CG 4.01Å; F217-F355 HydrophobicContact CE1-CD1 4.15Å; F217-F355 HydrophobicContact CE2-CB 3.71Å; F217-F355 HydrophobicContact CE2-CD1 4.25Å; F217-F355 HydrophobicContact CE2-CG 4.36Å; F217-F355 WeakPolarHBondContact CE2-O 3.3Å; F217-F355 HydrophobicContact CG-CB 4.4Å; F217-F355 AromaticContact CG-CD1 3.56Å; F217-F355 HydrophobicContact CG-CD1 3.56Å; F217-F355 HydrophobicContact CG-CE1 4.12Å; F217-F355 HydrophobicContact CG-CG 4.17Å; F217-F355 HydrophobicContact CZ-CB 4.3Å; F217-F355 HydrophobicContact CZ-CD1 4.39Å; F217-F355 WeakPolarHBondContact CZ-O 3.41Å; Y353-F355 AromaticContact CD1-CE1 3.58Å; Y353-F355 HydrophobicContact CD1-CE1 3.58Å; Y353-F355 AromaticContact CD1-CZ 3.67Å; Y353-F355 HydrophobicContact CD1-CZ 3.67Å; Y353-F355 HydrophobicContact CD2-CZ 4.29Å; Y353-F355 HydrophobicContact CE1-CE1 4.3Å; Y353-F355 HydrophobicContact CE1-CZ 4.28Å; Y353-F355 AromaticContact CG-CE1 3.93Å; Y353-F355 HydrophobicContact CG-CE1 3.93Å; Y353-F355 HydrophobicContact CG-CE2 4.27Å; Y353-F355 AromaticContact CG-CZ 3.65Å; Y353-F355 HydrophobicContact CG-CZ 3.65Å; F355-C358 PolarHBondContact O-N 2.9Å; F355-K359 WeakPolarHBondContact O-CB 3.39Å; F355-K359 PolarHBondContact O-N 3.35Å
356	N	94.9	Very high	94.7	Very high	123 Å²	123	45 Å²	45	66%	0.658	24%	0.239	S	C	*	.	H	α-helix	trans	-63.8	-53.1	176.7	-66.6	5.6	0	0	0	110.9	D354 C358 K359 E360	D354-N356 VanDerWaalsContact C-N 3.25Å; D354-N356 PolarHBondContact O-N 2.99Å; N356-C358 PolarHBondContact O-N 3.29Å; N356-K359 WeakPolarHBondContact O-CA 3.47Å; N356-K359 WeakPolarHBondContact O-CB 3.38Å; N356-K359 PolarHBondContact O-N 3.24Å; N356-E360 WeakPolarHBondContact O-CG 3.36Å; N356-E360 PolarHBondContact O-N 2.95Å
357	R	95.1	Very high	95	Very high	73 Å²	73	41.5 Å²	41.5	28%	0.275	22%	0.218	S	C	.	.	H	α-helix	trans	-65.2	-30.4	178.5	-170.7	59.3	179.7	164.8	4.6	112.4	V285 D354 E360 V361	V285-R357 HydrophobicContact CG1-CB 3.93Å; V285-R357 HydrophobicContact CG1-CG 3.59Å; D354-R357 HydrophobicContact CB-CB 4.29Å; D354-R357 VanDerWaalsContact CG-CB 3.43Å; D354-R357 PolarHBondContact O-N 3.39Å; D354-R357 WeakPolarHBondContact OD1-CB 3.42Å; D354-R357 PolarHBondContact OD1-N 3.38Å; D354-R357 VanDerWaalsContact OD1-N 3.11Å; R357-E360 WeakPolarHBondContact CD-OE2 3.42Å; R357-E360 IonicContact CZ-OE2 2.99Å; R357-E360 IonicContact NE-OE2 2.69Å; R357-E360 IonicContact NH1-OE2 3.08Å; R357-E360 PolarHBondContact NH1-OE2 3.07Å; R357-V361 WeakPolarHBondContact O-CB 3.32Å; R357-V361 WeakPolarHBondContact O-CG2 3.4Å; R357-V361 PolarHBondContact O-N 3.22Å
358	C	96.4	Very high	95.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-40	171.9	-64.3	0	0	0	0	111.7	F217 F281 F282 D354 F355 N356 S362	F217-C358 HydrophobicContact CE1-CB 3.9Å; F217-C358 HydrophobicContact CZ-CB 3.76Å; F281-C358 HydrophobicContact CE1-CB 4.09Å; F281-C358 HydrophobicContact CZ-CB 3.84Å; F281-C358 WeakPolarHBondContact CZ-O 3.49Å; F282-C358 HydrophobicContact CD1-CB 4.46Å; F282-C358 HydrophobicContact CE1-CB 4.44Å; D354-C358 WeakPolarHBondContact O-CB 3.46Å; D354-C358 PolarHBondContact O-N 3.31Å; D354-C358 PolarHBondContact O-SG 3.48Å; F355-C358 PolarHBondContact O-N 2.9Å; N356-C358 PolarHBondContact O-N 3.29Å; C358-S362 WeakPolarHBondContact O-CB 3.49Å; C358-S362 PolarHBondContact O-N 3.42Å
359	K	96.3	Very high	95.3	Very high	79 Å²	79	37.9 Å²	37.9	34%	0.343	19%	0.193	S	C	.	.	H	α-helix	trans	-64.9	-47	175.4	-176.3	162.3	-174.6	165.8	0	110.9	F217 L221 E224 F355 N356 S362 T363	F217-K359 HydrophobicContact CE2-CB 4.16Å; F217-K359 HydrophobicContact CZ-CB 4.15Å; L221-K359 HydrophobicContact CD1-CD 4.37Å; L221-K359 HydrophobicContact CD1-CG 3.98Å; L221-K359 HydrophobicContact CD2-CB 4.36Å; L221-K359 HydrophobicContact CD2-CG 4.48Å; E224-K359 IonicContact OE1-NZ 3.68Å; E224-K359 PolarHBondContact OE1-NZ 3.4Å; E224-K359 WeakPolarHBondContact OE2-CE 3.48Å; E224-K359 IonicContact OE2-NZ 2.67Å; E224-K359 PolarHBondContact OE2-NZ 3.38Å; F355-K359 WeakPolarHBondContact O-CB 3.39Å; F355-K359 PolarHBondContact O-N 3.35Å; N356-K359 WeakPolarHBondContact O-CA 3.47Å; N356-K359 WeakPolarHBondContact O-CB 3.38Å; N356-K359 PolarHBondContact O-N 3.24Å; K359-S362 PolarHBondContact O-N 3.17Å; K359-T363 WeakPolarHBondContact O-CB 3.38Å; K359-T363 PolarHBondContact O-N 3.46Å; K359-T363 PolarHBondContact O-OG1 2.86Å
360	E	96.5	Very high	95.3	Very high	92 Å²	92	33.8 Å²	33.8	43%	0.43	18%	0.176	S	C	.	.	H	α-helix	trans	-51.9	-59.9	173.3	-68.1	162.5	-137	0	0	111.7	N356 R357 S362 T363 T364	N356-E360 WeakPolarHBondContact O-CG 3.36Å; N356-E360 PolarHBondContact O-N 2.95Å; R357-E360 WeakPolarHBondContact CD-OE2 3.42Å; R357-E360 IonicContact CZ-OE2 2.99Å; R357-E360 IonicContact NE-OE2 2.69Å; R357-E360 IonicContact NH1-OE2 3.08Å; R357-E360 PolarHBondContact NH1-OE2 3.07Å; E360-S362 VanDerWaalsContact C-N 3.26Å; E360-S362 PolarHBondContact O-N 3.13Å; E360-T363 PolarHBondContact O-N 3.48Å; E360-T364 WeakPolarHBondContact O-CB 3.49Å; E360-T364 PolarHBondContact O-N 3.38Å; E360-T364 PolarHBondContact O-OG1 2.91Å; E360-T364 VanDerWaalsContact O-OG1 3.06Å
361	V	97.2	Very high	95.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-37.2	-177.7	168.1	0	0	0	0	112.1	L278 F281 V285 R357 F365 T414	L278-V361 HydrophobicContact CD1-CG1 4.35Å; F281-V361 HydrophobicContact CE2-CG1 4.11Å; V285-V361 HydrophobicContact CG2-CB 4.19Å; V285-V361 HydrophobicContact CG2-CG1 4.13Å; V285-V361 HydrophobicContact CG2-CG2 4.25Å; R357-V361 WeakPolarHBondContact O-CB 3.32Å; R357-V361 WeakPolarHBondContact O-CG2 3.4Å; R357-V361 PolarHBondContact O-N 3.22Å; V361-F365 VanDerWaalsContact O-CB 3.31Å; V361-F365 WeakPolarHBondContact O-CB 3.16Å; V361-F365 PolarHBondContact O-N 2.83Å; V361-T414 HydrophobicContact CG1-CG2 4.37Å
362	S	97	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-48.7	177	-178.2	0	0	0	0	112.2	L225 C358 K359 E360 T364 F365 F366 C381	L225-S362 VanDerWaalsContact CD1-OG 3.29Å; L225-S362 WeakPolarHBondContact CD1-OG 3.42Å; C358-S362 WeakPolarHBondContact O-CB 3.49Å; C358-S362 PolarHBondContact O-N 3.42Å; K359-S362 PolarHBondContact O-N 3.17Å; E360-S362 VanDerWaalsContact C-N 3.26Å; E360-S362 PolarHBondContact O-N 3.13Å; S362-T364 VanDerWaalsContact C-N 3.33Å; S362-T364 PolarHBondContact O-N 3.47Å; S362-F365 PolarHBondContact O-N 3.29Å; S362-F366 WeakPolarHBondContact O-CD2 3.45Å; S362-F366 PolarHBondContact O-N 3.29Å; S362-F366 VanDerWaalsContact O-N 3.08Å; S362-C381 WeakPolarHBondContact CB-O 3.3Å; S362-C381 WeakPolarHBondContact OG-CA 3.47Å; S362-C381 WeakPolarHBondContact OG-CB 3.15Å; S362-C381 PolarHBondContact OG-O 2.96Å
363	T	96.2	Very high	95.4	Very high	61 Å²	61	33.3 Å²	33.3	37%	0.374	17%	0.166	S	C	.	.	H	α-helix	trans	-61.9	-40.7	175.7	-61.7	0	0	0	0	111.4	K359 E360 F366 S367	K359-T363 WeakPolarHBondContact O-CB 3.38Å; K359-T363 PolarHBondContact O-N 3.46Å; K359-T363 PolarHBondContact O-OG1 2.86Å; E360-T363 PolarHBondContact O-N 3.48Å; T363-F366 PolarHBondContact O-N 3.28Å; T363-S367 WeakPolarHBondContact O-CB 3.21Å; T363-S367 PolarHBondContact O-N 3.02Å; T363-S367 PolarHBondContact O-OG 3.28Å
364	T	96.7	Very high	95.3	Very high	47 Å²	47	32.8 Å²	32.8	29%	0.288	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-42.5	173.8	-58	0	0	0	0	112.2	E360 S362 F366 S367 L368 T413 T414	E360-T364 WeakPolarHBondContact O-CB 3.49Å; E360-T364 PolarHBondContact O-N 3.38Å; E360-T364 PolarHBondContact O-OG1 2.91Å; E360-T364 VanDerWaalsContact O-OG1 3.06Å; S362-T364 VanDerWaalsContact C-N 3.33Å; S362-T364 PolarHBondContact O-N 3.47Å; T364-F366 PolarHBondContact O-N 3.11Å; T364-S367 PolarHBondContact O-N 3.45Å; T364-S367 PolarHBondContact O-OG 3.31Å; T364-L368 WeakPolarHBondContact O-CB 3.21Å; T364-L368 PolarHBondContact O-N 3.14Å; T364-T413 HydrophobicContact CG2-CG2 3.67Å; T364-T414 HydrophobicContact CG2-CG2 3.89Å
365	F	97.4	Very high	95.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-44.2	176.5	167.1	-129	0	0	0	111.9	L276 L278 V361 S362 V369 M384 I410	L276-F365 HydrophobicContact CB-CE2 4.38Å; L276-F365 HydrophobicContact CB-CZ 4.11Å; L278-F365 HydrophobicContact CD1-CB 4.27Å; L278-F365 HydrophobicContact CD1-CD1 3.9Å; L278-F365 HydrophobicContact CD1-CE1 4.39Å; L278-F365 HydrophobicContact CD1-CG 4.08Å; L278-F365 HydrophobicContact CD2-CD1 4.31Å; L278-F365 HydrophobicContact CD2-CD2 3.91Å; L278-F365 HydrophobicContact CD2-CE1 4.38Å; L278-F365 HydrophobicContact CD2-CE2 3.99Å; L278-F365 HydrophobicContact CD2-CG 4.08Å; L278-F365 HydrophobicContact CD2-CZ 4.22Å; L278-F365 HydrophobicContact CG-CD1 4.05Å; L278-F365 HydrophobicContact CG-CE1 4.07Å; L278-F365 HydrophobicContact CG-CG 4.27Å; L278-F365 HydrophobicContact CG-CZ 4.31Å; V361-F365 VanDerWaalsContact O-CB 3.31Å; V361-F365 WeakPolarHBondContact O-CB 3.16Å; V361-F365 PolarHBondContact O-N 2.83Å; S362-F365 PolarHBondContact O-N 3.29Å; F365-V369 WeakPolarHBondContact O-CG2 3.45Å; F365-M384 HydrophobicContact CD1-CE 4.04Å; F365-M384 HydrophobicContact CD2-CE 4.2Å; F365-M384 HydrophobicContact CE1-CE 3.69Å; F365-M384 HydrophobicContact CE1-CG 4.39Å; F365-M384 HydrophobicContact CE2-CE 3.86Å; F365-M384 HydrophobicContact CG-CE 4.3Å; F365-M384 HydrophobicContact CZ-CE 3.61Å; F365-M384 HydrophobicContact CZ-CG 3.94Å; F365-M384 HydrophobicContact CZ-SD 4.26Å; F365-I410 HydrophobicContact CD2-CD1 3.9Å; F365-I410 HydrophobicContact CD2-CG1 4.16Å; F365-I410 HydrophobicContact CD2-CG2 4.22Å; F365-I410 HydrophobicContact CE2-CD1 3.76Å
366	F	95.9	Very high	95.1	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-71.7	-40.9	177.6	-85	-92.9	0	0	0	113.6	L225 Y228 V229 S362 T363 T364 S370 I376 A378 M384	L225-F366 HydrophobicContact CD1-CD2 3.88Å; L225-F366 HydrophobicContact CD1-CE2 3.83Å; L225-F366 HydrophobicContact CD2-CB 3.94Å; L225-F366 HydrophobicContact CD2-CD2 3.83Å; L225-F366 HydrophobicContact CD2-CG 3.87Å; L225-F366 HydrophobicContact CG-CD2 4.31Å; Y228-F366 HydrophobicContact CD1-CB 4.5Å; Y228-F366 HydrophobicContact CE1-CB 4.41Å; V229-F366 HydrophobicContact CG2-CD1 4.11Å; V229-F366 HydrophobicContact CG2-CE1 4.49Å; S362-F366 WeakPolarHBondContact O-CD2 3.45Å; S362-F366 PolarHBondContact O-N 3.29Å; S362-F366 VanDerWaalsContact O-N 3.08Å; T363-F366 PolarHBondContact O-N 3.28Å; T364-F366 PolarHBondContact O-N 3.11Å; F366-S370 WeakPolarHBondContact O-CB 3.38Å; F366-S370 PolarHBondContact O-N 3.18Å; F366-S370 VanDerWaalsContact O-N 3.1Å; F366-I376 HydrophobicContact CE1-CG2 4.38Å; F366-A378 HydrophobicContact CD1-CB 4.39Å; F366-A378 HydrophobicContact CE1-CB 3.43Å; F366-A378 VanDerWaalsContact CE1-CB 3.43Å; F366-A378 HydrophobicContact CZ-CB 3.88Å; F366-M384 HydrophobicContact CD1-CE 3.6Å; F366-M384 HydrophobicContact CD2-CE 4.06Å; F366-M384 HydrophobicContact CE1-CB 3.99Å; F366-M384 HydrophobicContact CE1-CE 3.66Å; F366-M384 HydrophobicContact CE2-CE 4.12Å; F366-M384 HydrophobicContact CG-CE 3.82Å; F366-M384 HydrophobicContact CZ-CB 4Å; F366-M384 HydrophobicContact CZ-CE 3.94Å
367	S	94.7	Very high	95.1	Very high	43 Å²	43	26 Å²	26	30%	0.301	13%	0.133	S	C	.	.	H	α-helix	trans	-71.8	-33.7	179.6	69.2	0	0	0	0	113.1	Y228 T363 T364 V369 S370 R371	Y228-S367 WeakPolarHBondContact OH-CB 3.5Å; T363-S367 WeakPolarHBondContact O-CB 3.21Å; T363-S367 PolarHBondContact O-N 3.02Å; T363-S367 PolarHBondContact O-OG 3.28Å; T364-S367 PolarHBondContact O-N 3.45Å; T364-S367 PolarHBondContact O-OG 3.31Å; S367-V369 PolarHBondContact O-N 3.33Å; S367-S370 WeakPolarHBondContact CA-OG 3.29Å; S367-S370 PolarHBondContact O-N 3.44Å; S367-S370 PolarHBondContact O-OG 2.77Å; S367-R371 PolarHBondContact O-N 3.05Å
368	L	95.9	Very high	95	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-57.2	-48.2	174.8	-179.1	162.7	0	0	0	110.9	T364 R371 Y372 L406 E409 I410 T413	T364-L368 WeakPolarHBondContact O-CB 3.21Å; T364-L368 PolarHBondContact O-N 3.14Å; L368-R371 PolarHBondContact O-NE 3.03Å; L368-R371 VanDerWaalsContact O-NE 3.1Å; L368-R371 PolarHBondContact O-NH2 3Å; L368-Y372 WeakPolarHBondContact O-CD2 3.26Å; L368-Y372 WeakPolarHBondContact O-CE2 3.49Å; L368-L406 HydrophobicContact CD2-CD2 4.31Å; L368-E409 HydrophobicContact CD1-CG 4.29Å; L368-E409 WeakPolarHBondContact CD2-OE2 3.42Å; L368-I410 HydrophobicContact CD1-CB 4.37Å; L368-I410 HydrophobicContact CD1-CG1 3.92Å; L368-I410 HydrophobicContact CD2-CG1 3.74Å; L368-I410 HydrophobicContact CG-CG1 4.45Å; L368-T413 HydrophobicContact CD1-CG2 4.38Å
369	V	95.7	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-76.1	-34.4	-177.8	-176.9	0	0	0	0	111.9	F365 S367 R371 Y372 T373 I376 M384 L386 I410	F365-V369 WeakPolarHBondContact O-CG2 3.45Å; S367-V369 PolarHBondContact O-N 3.33Å; V369-R371 PolarHBondContact O-N 3.14Å; V369-R371 VanDerWaalsContact O-N 3.14Å; V369-Y372 PolarHBondContact O-N 3.4Å; V369-T373 HydrophobicContact CG1-CG2 4.38Å; V369-T373 PolarHBondContact O-N 3.24Å; V369-I376 HydrophobicContact CB-CD1 4.33Å; V369-I376 HydrophobicContact CG1-CD1 3.95Å; V369-M384 HydrophobicContact CB-CE 4.29Å; V369-M384 HydrophobicContact CB-SD 4.22Å; V369-M384 HydrophobicContact CG1-SD 4.03Å; V369-M384 HydrophobicContact CG2-CE 4.16Å; V369-M384 HydrophobicContact CG2-SD 4.21Å; V369-L386 HydrophobicContact CG1-CD1 3.83Å; V369-L386 HydrophobicContact CG1-CD2 3.72Å; V369-L386 HydrophobicContact CG1-CG 4.42Å; V369-I410 HydrophobicContact CG2-CD1 4.34Å
370	S	93.8	Very high	94.6	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.063	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-17.2	-179.4	73.1	0	0	0	0	114.6	Y228 R239 F366 S367 Y372 T373	Y228-S370 PolarHBondContact OH-OG 3.19Å; R239-S370 PolarHBondContact NE-O 3.27Å; F366-S370 WeakPolarHBondContact O-CB 3.38Å; F366-S370 PolarHBondContact O-N 3.18Å; F366-S370 VanDerWaalsContact O-N 3.1Å; S367-S370 WeakPolarHBondContact CA-OG 3.29Å; S367-S370 PolarHBondContact O-N 3.44Å; S367-S370 PolarHBondContact O-OG 2.77Å; S370-Y372 VanDerWaalsContact C-N 3.31Å; S370-T373 WeakPolarHBondContact CA-O 3.43Å
371	R	93.8	Very high	94.5	Very high	59 Å²	59	17.8 Å²	17.8	22%	0.223	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.3	168.9	-73.1	-179.1	-59	151.6	12.4	113.1	R239 D242 S367 L368 V369 E409	R239-R371 VanDerWaalsContact CB-O 3.28Å; R239-R371 WeakPolarHBondContact CB-O 3.5Å; R239-R371 WeakPolarHBondContact CD-O 3.36Å; R239-R371 WeakPolarHBondContact CG-O 3.43Å; D242-R371 HydrophobicContact CB-CB 4.27Å; D242-R371 WeakPolarHBondContact OD2-CB 3.32Å; S367-R371 PolarHBondContact O-N 3.05Å; L368-R371 PolarHBondContact O-NE 3.03Å; L368-R371 VanDerWaalsContact O-NE 3.1Å; L368-R371 PolarHBondContact O-NH2 3Å; V369-R371 PolarHBondContact O-N 3.14Å; V369-R371 VanDerWaalsContact O-N 3.14Å; R371-E409 IonicContact CZ-OE1 3.05Å; R371-E409 IonicContact NH1-OE1 3.28Å; R371-E409 PolarHBondContact NH1-OE1 3.45Å; R371-E409 IonicContact NH2-OE1 2.72Å; R371-E409 PolarHBondContact NH2-OE1 2.88Å; R371-E409 IonicContact NH2-OE2 2.89Å; R371-E409 PolarHBondContact NH2-OE2 3.19Å
372	Y	94.6	Very high	94.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-39.2	-174.6	-57.7	-71.7	0	0	0	112.8	D242 R243 M246 L368 V369 S370 Y405 L406 E409	D242-Y372 HydrophobicContact CB-CD1 4.05Å; D242-Y372 HydrophobicContact CB-CE1 3.8Å; D242-Y372 VanDerWaalsContact O-CE1 3.26Å; D242-Y372 WeakPolarHBondContact O-CE1 3.47Å; R243-Y372 PolarHBondContact NE-O 3.07Å; R243-Y372 PolarHBondContact NH2-O 3.15Å; M246-Y372 HydrophobicContact CB-CD1 4.31Å; M246-Y372 HydrophobicContact CB-CE1 4.08Å; M246-Y372 HydrophobicContact CE-CD1 3.49Å; M246-Y372 VanDerWaalsContact CE-CD1 3.49Å; M246-Y372 HydrophobicContact CE-CD2 3.88Å; M246-Y372 HydrophobicContact CE-CE1 3.87Å; M246-Y372 HydrophobicContact CE-CE2 4.21Å; M246-Y372 HydrophobicContact CE-CG 3.5Å; L368-Y372 WeakPolarHBondContact O-CD2 3.26Å; L368-Y372 WeakPolarHBondContact O-CE2 3.49Å; V369-Y372 PolarHBondContact O-N 3.4Å; S370-Y372 VanDerWaalsContact C-N 3.31Å; Y372-Y405 HydrophobicContact CE1-CE1 4.32Å; Y372-Y405 HydrophobicContact CE2-CE1 4.26Å; Y372-Y405 AromaticContact CZ-CE1 3.81Å; Y372-Y405 PolarHBondContact OH-OH 3.1Å; Y372-L406 HydrophobicContact CD2-CD2 3.58Å; Y372-L406 HydrophobicContact CE2-CD2 3.91Å; Y372-L406 HydrophobicContact CG-CD2 4.42Å; Y372-E409 WeakPolarHBondContact CE2-OE2 3.35Å; Y372-E409 PolarHBondContact OH-OE1 3.46Å; Y372-E409 VanDerWaalsContact OH-OE1 3.12Å; Y372-E409 PolarHBondContact OH-OE2 3.27Å; Y372-E409 VanDerWaalsContact OH-OE2 3.06Å
373	T	92.8	Very high	94.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	12%	0.118	C	C	.	.			trans	-138.3	150.6	-179.7	-175.9	0	0	0	0	112.4	V369 S370 D375 I376 L386	V369-T373 HydrophobicContact CG1-CG2 4.38Å; V369-T373 PolarHBondContact O-N 3.24Å; S370-T373 WeakPolarHBondContact CA-O 3.43Å; T373-D375 PolarHBondContact OG1-N 3.09Å; T373-I376 HydrophobicContact CG2-CD1 4.41Å; T373-I376 HydrophobicContact CG2-CG1 4.04Å; T373-L386 HydrophobicContact CG2-CD2 3.99Å
374	A	90.9	Very high	94.5	Very high	24 Å²	24	17.8 Å²	17.8	20%	0.198	10%	0.1	C	C	.	.	S	Bend	trans	-93.2	-14.8	170.1	0	0	0	0	0	112.2	M232 R233 I376	M232-A374 HydrophobicContact SD-CB 4.37Å; R233-A374 HydrophobicContact CG-CB 4.24Å; R233-A374 PolarHBondContact NE-O 3Å; A374-I376 VanDerWaalsContact C-N 3.32Å; A374-I376 PolarHBondContact O-N 2.8Å
375	D	92.4	Very high	94.5	Very high	24 Å²	24	16.3 Å²	16.3	13%	0.128	9%	0.09	C	C	.	.			trans	-90.3	66.1	-170.2	-155.2	-20.9	0	0	0	111.5	T373 L386 N387 M517	T373-D375 PolarHBondContact OG1-N 3.09Å; D375-L386 WeakPolarHBondContact O-CA 3.33Å; D375-N387 HydrophobicContact CB-CB 4.19Å; D375-N387 VanDerWaalsContact CG-CB 3.5Å; D375-N387 PolarHBondContact O-N 3.14Å; D375-N387 VanDerWaalsContact O-N 3.08Å; D375-N387 WeakPolarHBondContact OD2-CB 3.42Å; D375-N387 PolarHBondContact OD2-ND2 2.93Å; D375-M517 HydrophobicContact CB-CE 4.26Å; D375-M517 VanDerWaalsContact CG-CE 3.47Å; D375-M517 WeakPolarHBondContact OD1-CE 3.43Å
376	I	93.5	Very high	94.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.1	-174.9	-47.7	-172.4	0	0	0	109.6	V229 M232 R233 F366 V369 T373 A374 M384 Y385 L386	V229-I376 HydrophobicContact CG1-CB 4.42Å; V229-I376 WeakPolarHBondContact CG1-O 3.33Å; V229-I376 HydrophobicContact CG2-CG2 4.47Å; M232-I376 HydrophobicContact CE-CD1 4.23Å; R233-I376 PolarHBondContact NH2-O 3.26Å; F366-I376 HydrophobicContact CE1-CG2 4.38Å; V369-I376 HydrophobicContact CB-CD1 4.33Å; V369-I376 HydrophobicContact CG1-CD1 3.95Å; T373-I376 HydrophobicContact CG2-CD1 4.41Å; T373-I376 HydrophobicContact CG2-CG1 4.04Å; A374-I376 VanDerWaalsContact C-N 3.32Å; A374-I376 PolarHBondContact O-N 2.8Å; I376-M384 HydrophobicContact CG2-CB 4.1Å; I376-M384 HydrophobicContact CG2-CE 4.46Å; I376-M384 HydrophobicContact CG2-SD 3.78Å; I376-Y385 CarbonylContact C-O 3.51Å; I376-Y385 WeakPolarHBondContact CA-O 3.46Å; I376-L386 HydrophobicContact CB-CD2 4.05Å; I376-L386 HydrophobicContact CD1-CD2 4.2Å; I376-L386 HydrophobicContact CG1-CD2 3.62Å; I376-L386 HydrophobicContact CG2-CD2 3.93Å
377	E	94.1	Very high	94.4	Very high	22 Å²	22	17.7 Å²	17.7	10%	0.103	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.5	165.5	178.3	-175.5	171.7	0	0	109.2	I379 M384 Y385 K426 V515 Q516	E377-I379 HydrophobicContact CG-CD1 3.76Å; E377-I379 PolarHBondContact O-N 3.06Å; E377-I379 WeakPolarHBondContact OE1-CD1 3.49Å; E377-M384 WeakPolarHBondContact O-CA 3.17Å; E377-Y385 HydrophobicContact CB-CD2 4.47Å; E377-Y385 HydrophobicContact CG-CD2 4.46Å; E377-Y385 PolarHBondContact N-O 3.09Å; E377-Y385 PolarHBondContact O-N 3.22Å; E377-K426 VanDerWaalsContact CD-NZ 3.27Å; E377-K426 IonicContact OE1-NZ 2.76Å; E377-K426 PolarHBondContact OE1-NZ 3.32Å; E377-K426 VanDerWaalsContact OE2-CD 3.31Å; E377-K426 WeakPolarHBondContact OE2-CD 3.38Å; E377-K426 IonicContact OE2-NZ 3.87Å; E377-K426 PolarHBondContact OE2-NZ 2.93Å; E377-V515 HydrophobicContact CB-CG1 3.58Å; E377-V515 VanDerWaalsContact OE2-CA 3.31Å; E377-V515 WeakPolarHBondContact OE2-CA 3.05Å; E377-Q516 HydrophobicContact CG-CB 4.4Å; E377-Q516 PolarHBondContact OE2-N 3.17Å
378	A	93	Very high	94.4	Very high	7 Å²	7	15.7 Å²	15.7	6%	0.058	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.4	174.7	0	0	0	0	0	110.4	K226 V229 F366	K226-A378 WeakPolarHBondContact CE-O 3.23Å; K226-A378 HydrophobicContact CG-CB 3.88Å; V229-A378 HydrophobicContact CG2-CB 4.31Å; F366-A378 HydrophobicContact CD1-CB 4.39Å; F366-A378 HydrophobicContact CE1-CB 3.43Å; F366-A378 VanDerWaalsContact CE1-CB 3.43Å; F366-A378 HydrophobicContact CZ-CB 3.88Å
379	I	92.4	Very high	94.2	Very high	49 Å²	49	20 Å²	20	25%	0.251	10%	0.101	S	C	.	.			trans	-102.6	-55.7	178.3	-55.2	-62.3	0	0	0	111.1	K226 E377 E383 Y385	K226-I379 PolarHBondContact NZ-O 3.22Å; E377-I379 HydrophobicContact CG-CD1 3.76Å; E377-I379 PolarHBondContact O-N 3.06Å; E377-I379 WeakPolarHBondContact OE1-CD1 3.49Å; I379-E383 HydrophobicContact CB-CB 4.31Å; I379-E383 HydrophobicContact CB-CG 4.3Å; I379-E383 VanDerWaalsContact CB-OE1 3.3Å; I379-E383 WeakPolarHBondContact CB-OE1 3.39Å; I379-E383 WeakPolarHBondContact CG2-OE1 3.23Å; I379-E383 PolarHBondContact N-O 3.09Å; I379-Y385 HydrophobicContact CD1-CD2 3.77Å; I379-Y385 HydrophobicContact CD1-CE2 3.68Å; I379-Y385 HydrophobicContact CG1-CD2 3.72Å; I379-Y385 HydrophobicContact CG1-CE2 3.69Å
380	S	93.2	Very high	94	Very high	18 Å²	18	24.6 Å²	24.6	13%	0.126	12%	0.123	C	C	.	.	S	Bend	trans	-127.6	-163	176.9	71.7	0	0	0	0	111.1	D382 E383	S380-D382 VanDerWaalsContact C-N 3.32Å; S380-D382 WeakPolarHBondContact CB-OD1 3.4Å; S380-D382 PolarHBondContact OG-N 3.14Å; S380-D382 VanDerWaalsContact OG-N 3.07Å; S380-D382 PolarHBondContact OG-OD1 2.96Å; S380-E383 PolarHBondContact N-O 3.27Å; S380-E383 WeakPolarHBondContact OG-CB 3.31Å; S380-E383 PolarHBondContact OG-N 3.38Å
381	C	93.3	Very high	94	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	12%	0.12	C	C	.	.	S	Bend	trans	-75.3	-19.1	168.3	51.6	0	0	0	0	113.9	L221 L225 F281 S362	L221-C381 HydrophobicContact CB-CB 4.35Å; L221-C381 HydrophobicContact CD2-CB 3.59Å; L221-C381 HydrophobicContact CG-CB 3.78Å; L225-C381 HydrophobicContact CD1-CB 4.29Å; F281-C381 HydrophobicContact CE1-CB 4.48Å; S362-C381 WeakPolarHBondContact CB-O 3.3Å; S362-C381 WeakPolarHBondContact OG-CA 3.47Å; S362-C381 WeakPolarHBondContact OG-CB 3.15Å; S362-C381 PolarHBondContact OG-O 2.96Å
382	D	96.3	Very high	94	Very high	40 Å²	40	21.4 Å²	21.4	21%	0.214	11%	0.109	C	C	.	.	S	Bend	trans	-125.5	0.5	-171.5	49.4	-13.7	0	0	0	113.7	D277 L278 F281 S380	D277-D382 WeakPolarHBondContact CA-O 3.42Å; L278-D382 HydrophobicContact CB-CB 4.04Å; L278-D382 HydrophobicContact CD1-CB 4.22Å; L278-D382 HydrophobicContact CG-CB 4.27Å; L278-D382 PolarHBondContact N-O 3.16Å; F281-D382 HydrophobicContact CB-CB 3.97Å; F281-D382 WeakPolarHBondContact CB-OD2 3.37Å; F281-D382 HydrophobicContact CD1-CB 3.96Å; F281-D382 HydrophobicContact CD2-CB 4.09Å; F281-D382 HydrophobicContact CE1-CB 4.48Å; F281-D382 HydrophobicContact CG-CB 3.76Å; S380-D382 VanDerWaalsContact C-N 3.32Å; S380-D382 WeakPolarHBondContact CB-OD1 3.4Å; S380-D382 PolarHBondContact OG-N 3.14Å; S380-D382 VanDerWaalsContact OG-N 3.07Å; S380-D382 PolarHBondContact OG-OD1 2.96Å
383	E	96.6	Very high	93.9	Very high	22 Å²	22	25 Å²	25	10%	0.103	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131	-172.5	-164.8	-165.2	109.2	0	0	112.4	H275 L276 I379 S380 R430	H275-E383 WeakPolarHBondContact NE2-CG 3.31Å; H275-E383 IonicContact NE2-OE1 2.75Å; H275-E383 PolarHBondContact NE2-OE1 2.85Å; H275-E383 IonicContact NE2-OE2 3.05Å; L276-E383 WeakPolarHBondContact O-CA 3.28Å; I379-E383 HydrophobicContact CB-CB 4.31Å; I379-E383 HydrophobicContact CB-CG 4.3Å; I379-E383 VanDerWaalsContact CB-OE1 3.3Å; I379-E383 WeakPolarHBondContact CB-OE1 3.39Å; I379-E383 WeakPolarHBondContact CG2-OE1 3.23Å; I379-E383 PolarHBondContact N-O 3.09Å; S380-E383 PolarHBondContact N-O 3.27Å; S380-E383 WeakPolarHBondContact OG-CB 3.31Å; S380-E383 PolarHBondContact OG-N 3.38Å; E383-R430 IonicContact OE1-CZ 2.88Å; E383-R430 IonicContact OE1-NH1 3.22Å; E383-R430 PolarHBondContact OE1-NH1 2.85Å; E383-R430 IonicContact OE1-NH2 3.8Å; E383-R430 PolarHBondContact OE1-NH2 2.77Å; E383-R430 IonicContact OE2-CZ 3.95Å; E383-R430 IonicContact OE2-NH1 2.65Å; E383-R430 IonicContact OE2-NH2 3.77Å; E383-R430 PolarHBondContact OE2-NH2 3.1Å
384	M	96.6	Very high	93.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.3	174.1	64	169.8	77	0	0	112.7	H275 L276 F365 F366 V369 I376 E377 L386	H275-M384 WeakPolarHBondContact CA-O 3.49Å; L276-M384 HydrophobicContact CB-CG 4.16Å; L276-M384 PolarHBondContact N-O 2.69Å; L276-M384 PolarHBondContact O-N 3.47Å; F365-M384 HydrophobicContact CD1-CE 4.04Å; F365-M384 HydrophobicContact CD2-CE 4.2Å; F365-M384 HydrophobicContact CE1-CE 3.69Å; F365-M384 HydrophobicContact CE1-CG 4.39Å; F365-M384 HydrophobicContact CE2-CE 3.86Å; F365-M384 HydrophobicContact CG-CE 4.3Å; F365-M384 HydrophobicContact CZ-CE 3.61Å; F365-M384 HydrophobicContact CZ-CG 3.94Å; F365-M384 HydrophobicContact CZ-SD 4.26Å; F366-M384 HydrophobicContact CD1-CE 3.6Å; F366-M384 HydrophobicContact CD2-CE 4.06Å; F366-M384 HydrophobicContact CE1-CB 3.99Å; F366-M384 HydrophobicContact CE1-CE 3.66Å; F366-M384 HydrophobicContact CE2-CE 4.12Å; F366-M384 HydrophobicContact CG-CE 3.82Å; F366-M384 HydrophobicContact CZ-CB 4Å; F366-M384 HydrophobicContact CZ-CE 3.94Å; V369-M384 HydrophobicContact CB-CE 4.29Å; V369-M384 HydrophobicContact CB-SD 4.22Å; V369-M384 HydrophobicContact CG1-SD 4.03Å; V369-M384 HydrophobicContact CG2-CE 4.16Å; V369-M384 HydrophobicContact CG2-SD 4.21Å; I376-M384 HydrophobicContact CG2-CB 4.1Å; I376-M384 HydrophobicContact CG2-CE 4.46Å; I376-M384 HydrophobicContact CG2-SD 3.78Å; E377-M384 WeakPolarHBondContact O-CA 3.17Å; M384-L386 HydrophobicContact SD-CD2 3.8Å; M384-L386 HydrophobicContact SD-CG 4.34Å
385	Y	97.1	Very high	93.8	Very high	17 Å²	17	26.6 Å²	26.6	7%	0.067	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150.1	158.9	-61	-85.2	0	0	0	111.1	I273 A274 H275 I376 E377 I379 K426 R430	I273-Y385 HydrophobicContact CG2-CD1 4.38Å; A274-Y385 CarbonylContact O-C 3.57Å; A274-Y385 VanDerWaalsContact O-CA 3.25Å; A274-Y385 WeakPolarHBondContact O-CA 3.48Å; H275-Y385 HydrophobicContact CB-CD1 3.73Å; H275-Y385 HydrophobicContact CB-CE1 3.81Å; H275-Y385 AromaticContact CD2-CD1 3.75Å; H275-Y385 AromaticContact CD2-CE1 3.36Å; H275-Y385 WeakPolarHBondContact CD2-CE1 3.19Å; H275-Y385 AromaticContact CD2-CZ 3.61Å; H275-Y385 AromaticContact CG-CE1 3.91Å; I376-Y385 CarbonylContact C-O 3.51Å; I376-Y385 WeakPolarHBondContact CA-O 3.46Å; E377-Y385 HydrophobicContact CB-CD2 4.47Å; E377-Y385 HydrophobicContact CG-CD2 4.46Å; E377-Y385 PolarHBondContact N-O 3.09Å; E377-Y385 PolarHBondContact O-N 3.22Å; I379-Y385 HydrophobicContact CD1-CD2 3.77Å; I379-Y385 HydrophobicContact CD1-CE2 3.68Å; I379-Y385 HydrophobicContact CG1-CD2 3.72Å; I379-Y385 HydrophobicContact CG1-CE2 3.69Å; Y385-K426 HydrophobicContact CD1-CB 4.02Å; Y385-K426 HydrophobicContact CD1-CD 4.23Å; Y385-K426 HydrophobicContact CD1-CG 4.02Å; Y385-K426 HydrophobicContact CD2-CD 3.95Å; Y385-K426 HydrophobicContact CE1-CB 3.63Å; Y385-K426 HydrophobicContact CE1-CD 4.44Å; Y385-K426 HydrophobicContact CE1-CG 4.14Å; Y385-K426 WeakPolarHBondContact CE1-O 3.34Å; Y385-K426 HydrophobicContact CE2-CB 4.5Å; Y385-K426 HydrophobicContact CE2-CD 4.16Å; Y385-K426 HydrophobicContact CG-CD 3.99Å; Y385-K426 HydrophobicContact CG-CG 4.27Å; Y385-R430 HydrophobicContact CE1-CB 4.24Å; Y385-R430 PolarHBondContact OH-NH1 3.27Å
386	L	96.1	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.9	167.8	-56.9	179.2	0	0	0	109.8	I273 A274 L276 V369 T373 D375 I376 M384 L388 I403 L406	I273-L386 WeakPolarHBondContact CA-O 3.32Å; A274-L386 HydrophobicContact CB-CB 4.45Å; A274-L386 PolarHBondContact N-O 3.04Å; A274-L386 PolarHBondContact O-N 2.78Å; L276-L386 HydrophobicContact CD1-CD1 3.52Å; L276-L386 HydrophobicContact CD1-CG 3.78Å; V369-L386 HydrophobicContact CG1-CD1 3.83Å; V369-L386 HydrophobicContact CG1-CD2 3.72Å; V369-L386 HydrophobicContact CG1-CG 4.42Å; T373-L386 HydrophobicContact CG2-CD2 3.99Å; D375-L386 WeakPolarHBondContact O-CA 3.33Å; I376-L386 HydrophobicContact CB-CD2 4.05Å; I376-L386 HydrophobicContact CD1-CD2 4.2Å; I376-L386 HydrophobicContact CG1-CD2 3.62Å; I376-L386 HydrophobicContact CG2-CD2 3.93Å; M384-L386 HydrophobicContact SD-CD2 3.8Å; M384-L386 HydrophobicContact SD-CG 4.34Å; L386-L388 HydrophobicContact CB-CD2 3.78Å; L386-L388 HydrophobicContact CB-CG 4.26Å; L386-L388 HydrophobicContact CD1-CD2 3.87Å; L386-L388 HydrophobicContact CG-CD2 4.49Å; L386-I403 HydrophobicContact CD1-CD1 4.47Å; L386-L406 HydrophobicContact CD1-CD1 4.07Å
387	N	95.1	Very high	93.6	Very high	30 Å²	30	28.1 Å²	28.1	16%	0.16	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.2	155.3	169.4	21.3	0	0	0	108.2	F272 I273 D375 K389 V515	F272-N387 WeakPolarHBondContact CD2-OD1 3.4Å; I273-N387 HydrophobicContact CD1-CB 3.94Å; D375-N387 HydrophobicContact CB-CB 4.19Å; D375-N387 VanDerWaalsContact CG-CB 3.5Å; D375-N387 PolarHBondContact O-N 3.14Å; D375-N387 VanDerWaalsContact O-N 3.08Å; D375-N387 WeakPolarHBondContact OD2-CB 3.42Å; D375-N387 PolarHBondContact OD2-ND2 2.93Å; N387-K389 VanDerWaalsContact OD1-CB 3.26Å; N387-K389 WeakPolarHBondContact OD1-CB 3.43Å; N387-K389 PolarHBondContact OD1-N 3.26Å; N387-K389 VanDerWaalsContact OD1-N 3.07Å; N387-V515 HydrophobicContact CB-CG2 4.03Å
388	L	94.8	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.			trans	-94.8	-4.1	-175	-59	177.6	0	0	0	112.9	F272 A274 L386 E390 L391 C392 V402 I403	F272-L388 WeakPolarHBondContact O-CB 3.49Å; F272-L388 PolarHBondContact O-N 3.43Å; A274-L388 HydrophobicContact CB-CD1 3.67Å; A274-L388 HydrophobicContact CB-CG 4.17Å; L386-L388 HydrophobicContact CB-CD2 3.78Å; L386-L388 HydrophobicContact CB-CG 4.26Å; L386-L388 HydrophobicContact CD1-CD2 3.87Å; L386-L388 HydrophobicContact CG-CD2 4.49Å; L388-E390 PolarHBondContact O-N 2.97Å; L388-L391 HydrophobicContact CD2-CD2 4.39Å; L388-L391 PolarHBondContact O-N 3.22Å; L388-C392 WeakPolarHBondContact O-CB 3.1Å; L388-C392 PolarHBondContact O-N 3.37Å; L388-C392 PolarHBondContact O-SG 3.24Å; L388-V402 HydrophobicContact CD2-CG1 4.13Å; L388-I403 HydrophobicContact CD1-CD1 4.11Å; L388-I403 HydrophobicContact CD1-CG1 3.73Å
389	K	92.6	Very high	93.5	Very high	96 Å²	96	27.6 Å²	27.6	42%	0.417	15%	0.151	S	C	.	.	H	α-helix	trans	-57.4	-46.1	-171	-174.3	167.7	-177.8	165.6	0	113	F266 F272 N387 S393	F266-K389 HydrophobicContact CE1-CG 4.05Å; F266-K389 HydrophobicContact CZ-CB 4.4Å; F266-K389 HydrophobicContact CZ-CG 4.16Å; F272-K389 HydrophobicContact CB-CB 4.06Å; F272-K389 HydrophobicContact CD2-CB 4.15Å; F272-K389 HydrophobicContact CG-CB 4.22Å; N387-K389 VanDerWaalsContact OD1-CB 3.26Å; N387-K389 WeakPolarHBondContact OD1-CB 3.43Å; N387-K389 PolarHBondContact OD1-N 3.26Å; N387-K389 VanDerWaalsContact OD1-N 3.07Å; K389-S393 WeakPolarHBondContact O-CB 3.24Å; K389-S393 PolarHBondContact O-N 3.41Å; K389-S393 PolarHBondContact O-OG 2.9Å
390	E	91.6	Very high	93.6	Very high	98 Å²	98	27.5 Å²	27.5	46%	0.458	15%	0.154	S	C	.	.	H	α-helix	trans	-66.5	-47.9	177	-167	-133.3	137.3	0	0	111.3	R243 L388 S393 S394	R243-E390 IonicContact CZ-OE1 3.65Å; R243-E390 IonicContact NH1-OE1 2.69Å; R243-E390 PolarHBondContact NH1-OE1 3.43Å; R243-E390 VanDerWaalsContact NH2-CD 3.32Å; R243-E390 IonicContact NH2-OE1 2.75Å; R243-E390 PolarHBondContact NH2-OE1 3.26Å; R243-E390 IonicContact NH2-OE2 3.3Å; R243-E390 PolarHBondContact NH2-OE2 3.15Å; L388-E390 PolarHBondContact O-N 2.97Å; E390-S393 PolarHBondContact O-N 2.67Å; E390-S394 WeakPolarHBondContact O-CB 3.13Å; E390-S394 PolarHBondContact O-N 3.03Å; E390-S394 PolarHBondContact O-OG 2.83Å
391	L	93.7	Very high	93.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-53.5	-178	177.9	55.8	0	0	0	111.7	R243 M246 L388 S393 S394 I395 V402	R243-L391 HydrophobicContact CG-CD1 3.79Å; M246-L391 HydrophobicContact SD-CD1 4.43Å; M246-L391 HydrophobicContact SD-CD2 4.46Å; L388-L391 HydrophobicContact CD2-CD2 4.39Å; L388-L391 PolarHBondContact O-N 3.22Å; L391-S393 VanDerWaalsContact C-N 3.34Å; L391-S393 PolarHBondContact O-N 3.35Å; L391-S394 PolarHBondContact O-N 3Å; L391-S394 PolarHBondContact O-OG 2.92Å; L391-I395 PolarHBondContact O-N 2.91Å; L391-V402 HydrophobicContact CD2-CG1 3.68Å; L391-V402 HydrophobicContact CG-CG1 4.28Å
392	C	93.5	Very high	93.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.3	-45	179.2	-66.3	0	0	0	0	112	F266 L388 S394 I395 D396 A397 S399	F266-C392 HydrophobicContact CB-CB 4.05Å; F266-C392 HydrophobicContact CD1-CB 4.01Å; F266-C392 HydrophobicContact CD2-CB 3.51Å; F266-C392 HydrophobicContact CE1-CB 4.36Å; F266-C392 HydrophobicContact CE2-CB 3.89Å; F266-C392 HydrophobicContact CG-CB 3.58Å; F266-C392 HydrophobicContact CZ-CB 4.31Å; L388-C392 WeakPolarHBondContact O-CB 3.1Å; L388-C392 PolarHBondContact O-N 3.37Å; L388-C392 PolarHBondContact O-SG 3.24Å; C392-S394 VanDerWaalsContact C-N 3.28Å; C392-S394 PolarHBondContact O-N 3.48Å; C392-I395 PolarHBondContact O-N 3.35Å; C392-D396 PolarHBondContact O-N 3.28Å; C392-D396 VanDerWaalsContact O-N 3.08Å; C392-A397 WeakPolarHBondContact CA-O 3.47Å; C392-A397 WeakPolarHBondContact CB-O 3.42Å; C392-A397 PolarHBondContact O-N 3.04Å; C392-S399 PolarHBondContact SG-OG 3.32Å
393	S	91.3	Very high	93.8	Very high	76 Å²	76	26.8 Å²	26.8	53%	0.531	15%	0.148	S	C	.	.	H	α-helix	trans	-63.9	-33.2	176.7	-54.4	0	0	0	0	112.4	F266 K389 E390 L391	F266-S393 WeakPolarHBondContact CD1-OG 3.27Å; K389-S393 WeakPolarHBondContact O-CB 3.24Å; K389-S393 PolarHBondContact O-N 3.41Å; K389-S393 PolarHBondContact O-OG 2.9Å; E390-S393 PolarHBondContact O-N 2.67Å; L391-S393 VanDerWaalsContact C-N 3.34Å; L391-S393 PolarHBondContact O-N 3.35Å
394	S	91.7	Very high	93.8	Very high	54 Å²	54	27.6 Å²	27.6	38%	0.378	16%	0.156	S	C	.	.	H	α-helix	trans	-79	-12	-177.1	70.5	0	0	0	0	115.4	R243 E390 L391 C392	R243-S394 PolarHBondContact NH1-OG 2.75Å; E390-S394 WeakPolarHBondContact O-CB 3.13Å; E390-S394 PolarHBondContact O-N 3.03Å; E390-S394 PolarHBondContact O-OG 2.83Å; L391-S394 PolarHBondContact O-N 3Å; L391-S394 PolarHBondContact O-OG 2.92Å; C392-S394 VanDerWaalsContact C-N 3.28Å; C392-S394 PolarHBondContact O-N 3.48Å
395	I	91.9	Very high	93.8	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-132.6	11.8	-180	68.2	170.9	0	0	0	114.2	R243 M246 Q247 I250 L391 C392 A397 V402	R243-I395 HydrophobicContact CB-CG2 3.98Å; M246-I395 HydrophobicContact CB-CD1 4.34Å; M246-I395 HydrophobicContact CG-CD1 3.82Å; M246-I395 HydrophobicContact SD-CD1 3.55Å; M246-I395 VanDerWaalsContact SD-CD1 3.55Å; Q247-I395 HydrophobicContact CB-CB 3.95Å; Q247-I395 HydrophobicContact CB-CG2 4.14Å; Q247-I395 HydrophobicContact CG-CB 4.15Å; I250-I395 HydrophobicContact CD1-CD1 4.13Å; L391-I395 PolarHBondContact O-N 2.91Å; C392-I395 PolarHBondContact O-N 3.35Å; I395-A397 VanDerWaalsContact C-N 3.29Å; I395-A397 HydrophobicContact CD1-CB 4.02Å; I395-A397 HydrophobicContact CG1-CB 3.84Å; I395-A397 PolarHBondContact O-N 2.82Å; I395-V402 HydrophobicContact CD1-CG2 4.18Å
396	D	89.4	Confident	93.9	Very high	55 Å²	55	27.8 Å²	27.8	29%	0.294	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	45.8	-179.2	-158.2	19.5	0	0	0	114.7	R254 K265 C392	R254-D396 PolarHBondContact NH1-O 2.91Å; R254-D396 PolarHBondContact NH2-O 2.9Å; K265-D396 WeakPolarHBondContact CA-OD1 3.35Å; K265-D396 VanDerWaalsContact CB-OD1 3.29Å; K265-D396 WeakPolarHBondContact CB-OD1 3.43Å; K265-D396 VanDerWaalsContact CG-OD1 3.3Å; K265-D396 WeakPolarHBondContact CG-OD1 3.13Å; K265-D396 IonicContact NZ-OD2 2.61Å; K265-D396 PolarHBondContact NZ-OD2 2.93Å; C392-D396 PolarHBondContact O-N 3.28Å; C392-D396 VanDerWaalsContact O-N 3.08Å
397	A	90.5	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.			trans	-124.2	140.7	-178.9	0	0	0	0	0	111.8	I250 C392 I395 E401 V402	I250-A397 HydrophobicContact CD1-CB 3.82Å; I250-A397 HydrophobicContact CG2-CB 4.17Å; C392-A397 WeakPolarHBondContact CA-O 3.47Å; C392-A397 WeakPolarHBondContact CB-O 3.42Å; C392-A397 PolarHBondContact O-N 3.04Å; I395-A397 VanDerWaalsContact C-N 3.29Å; I395-A397 HydrophobicContact CD1-CB 4.02Å; I395-A397 HydrophobicContact CG1-CB 3.84Å; I395-A397 PolarHBondContact O-N 2.82Å; A397-E401 HydrophobicContact CB-CB 4.47Å; A397-V402 HydrophobicContact CB-CG2 4.05Å
398	S	92.2	Very high	94	Very high	14 Å²	14	32.8 Å²	32.8	10%	0.098	17%	0.173	C	C	.	.			trans	-65.8	153.3	173.8	68.4	0	0	0	0	111.2	S400 E401 V402	S398-S400 PolarHBondContact O-N 2.9Å; S398-S400 VanDerWaalsContact O-N 3.08Å; S398-E401 VanDerWaalsContact CB-OE2 3.32Å; S398-E401 WeakPolarHBondContact CB-OE2 3.36Å; S398-E401 PolarHBondContact N-OE2 3.4Å; S398-E401 PolarHBondContact O-N 3.47Å; S398-E401 WeakPolarHBondContact OG-CG 3.26Å; S398-E401 PolarHBondContact OG-N 2.87Å; S398-E401 PolarHBondContact OG-OE2 3.11Å; S398-V402 PolarHBondContact O-N 3.38Å; S398-V402 VanDerWaalsContact O-N 3.14Å
399	S	94.1	Very high	94.1	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.035	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-23.2	175.9	-61	0	0	0	0	113.3	C392 I403	C392-S399 PolarHBondContact SG-OG 3.32Å; S399-I403 VanDerWaalsContact O-CB 3.3Å; S399-I403 WeakPolarHBondContact O-CB 3.24Å; S399-I403 WeakPolarHBondContact O-CG1 3.29Å; S399-I403 PolarHBondContact O-N 2.86Å
400	S	94.4	Very high	94.4	Very high	47 Å²	47	29.8 Å²	29.8	33%	0.329	16%	0.16	S	C	.	.	H	α-helix	trans	-71.6	-42.4	173.8	-163.9	0	0	0	0	112.4	S398 S404 Q441	S398-S400 PolarHBondContact O-N 2.9Å; S398-S400 VanDerWaalsContact O-N 3.08Å; S400-S404 WeakPolarHBondContact O-CB 3.41Å; S400-S404 PolarHBondContact O-N 2.88Å; S400-Q441 PolarHBondContact O-NE2 2.93Å; S400-Q441 PolarHBondContact OG-NE2 3.05Å
401	E	94.5	Very high	94.6	Very high	44 Å²	44	31.3 Å²	31.3	21%	0.206	16%	0.163	C	C	.	.	H	α-helix	trans	-67.6	-44.8	178.4	-69.8	162.3	116.3	0	0	111.4	I250 R254 A397 S398 I403 S404 Y405	I250-E401 HydrophobicContact CD1-CB 4.13Å; I250-E401 HydrophobicContact CG1-CB 4.41Å; I250-E401 HydrophobicContact CG2-CB 4.03Å; I250-E401 HydrophobicContact CG2-CG 4.34Å; R254-E401 IonicContact CZ-OE1 3.33Å; R254-E401 VanDerWaalsContact CZ-OE1 3.28Å; R254-E401 IonicContact CZ-OE2 3.37Å; R254-E401 IonicContact NE-OE1 2.7Å; R254-E401 PolarHBondContact NE-OE1 3.24Å; R254-E401 VanDerWaalsContact NH2-CD 3.33Å; R254-E401 IonicContact NH2-OE1 3.39Å; R254-E401 PolarHBondContact NH2-OE1 2.92Å; R254-E401 IonicContact NH2-OE2 3.15Å; R254-E401 PolarHBondContact NH2-OE2 3.1Å; A397-E401 HydrophobicContact CB-CB 4.47Å; S398-E401 VanDerWaalsContact CB-OE2 3.32Å; S398-E401 WeakPolarHBondContact CB-OE2 3.36Å; S398-E401 PolarHBondContact N-OE2 3.4Å; S398-E401 PolarHBondContact O-N 3.47Å; S398-E401 WeakPolarHBondContact OG-CG 3.26Å; S398-E401 PolarHBondContact OG-N 2.87Å; S398-E401 PolarHBondContact OG-OE2 3.11Å; E401-I403 VanDerWaalsContact C-N 3.35Å; E401-I403 PolarHBondContact O-N 3.44Å; E401-S404 PolarHBondContact O-N 2.96Å; E401-Y405 PolarHBondContact O-N 2.88Å
402	V	95.7	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.7	-47.7	175.1	172.8	0	0	0	0	111.1	M246 I250 L388 L391 I395 A397 S398 Y405 L406	M246-V402 HydrophobicContact CE-CG1 4.38Å; M246-V402 HydrophobicContact SD-CB 4.47Å; M246-V402 HydrophobicContact SD-CG1 4.02Å; M246-V402 HydrophobicContact SD-CG2 4.24Å; I250-V402 HydrophobicContact CD1-CG2 4.43Å; L388-V402 HydrophobicContact CD2-CG1 4.13Å; L391-V402 HydrophobicContact CD2-CG1 3.68Å; L391-V402 HydrophobicContact CG-CG1 4.28Å; I395-V402 HydrophobicContact CD1-CG2 4.18Å; A397-V402 HydrophobicContact CB-CG2 4.05Å; S398-V402 PolarHBondContact O-N 3.38Å; S398-V402 VanDerWaalsContact O-N 3.14Å; V402-Y405 PolarHBondContact O-N 2.86Å; V402-L406 HydrophobicContact CG1-CD1 4.06Å; V402-L406 WeakPolarHBondContact O-CG 3.48Å; V402-L406 PolarHBondContact O-N 3.26Å
403	I	96.9	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.2	-33.3	179.6	-72.9	-71.2	0	0	0	112.2	A274 L276 L386 L388 S399 E401 L406 R407 A420 I422 Q441	A274-I403 HydrophobicContact CB-CD1 3.61Å; A274-I403 HydrophobicContact CB-CG1 4.05Å; L276-I403 HydrophobicContact CD1-CD1 3.7Å; L276-I403 HydrophobicContact CD2-CD1 4.22Å; L276-I403 HydrophobicContact CG-CD1 4.14Å; L386-I403 HydrophobicContact CD1-CD1 4.47Å; L388-I403 HydrophobicContact CD1-CD1 4.11Å; L388-I403 HydrophobicContact CD1-CG1 3.73Å; S399-I403 VanDerWaalsContact O-CB 3.3Å; S399-I403 WeakPolarHBondContact O-CB 3.24Å; S399-I403 WeakPolarHBondContact O-CG1 3.29Å; S399-I403 PolarHBondContact O-N 2.86Å; E401-I403 VanDerWaalsContact C-N 3.35Å; E401-I403 PolarHBondContact O-N 3.44Å; I403-L406 HydrophobicContact CD1-CD1 4.35Å; I403-L406 PolarHBondContact O-N 3.09Å; I403-R407 HydrophobicContact CG2-CG 4.47Å; I403-R407 VanDerWaalsContact O-CB 3.29Å; I403-R407 WeakPolarHBondContact O-CB 3.28Å; I403-R407 WeakPolarHBondContact O-CD 3.43Å; I403-R407 VanDerWaalsContact O-CG 3.29Å; I403-R407 WeakPolarHBondContact O-CG 3.28Å; I403-R407 PolarHBondContact O-N 3.08Å; I403-A420 HydrophobicContact CG2-CB 3.4Å; I403-I422 HydrophobicContact CB-CD1 3.9Å; I403-I422 HydrophobicContact CG1-CD1 3.9Å; I403-I422 HydrophobicContact CG1-CG1 4.14Å; I403-I422 HydrophobicContact CG2-CD1 4Å; I403-Q441 HydrophobicContact CG2-CB 4.21Å
404	S	96.8	Very high	95.2	Very high	39 Å²	39	36.6 Å²	36.6	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-66.4	-40.5	172.7	-172.3	0	0	0	0	111.7	S400 E401 R408	S400-S404 WeakPolarHBondContact O-CB 3.41Å; S400-S404 PolarHBondContact O-N 2.88Å; E401-S404 PolarHBondContact O-N 2.96Å; S404-R408 WeakPolarHBondContact O-CG 3.3Å; S404-R408 PolarHBondContact O-N 2.71Å
405	Y	96.9	Very high	95.3	Very high	20 Å²	20	35.9 Å²	35.9	8%	0.078	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-53.4	172.8	177.4	-77.3	0	0	0	110.5	M246 Y372 E401 V402 R407 R408 E409	M246-Y405 HydrophobicContact CB-CD1 4.45Å; M246-Y405 HydrophobicContact CB-CE1 4.26Å; M246-Y405 HydrophobicContact CB-CE2 4.31Å; M246-Y405 HydrophobicContact CE-CD1 3.57Å; M246-Y405 HydrophobicContact CE-CE1 3.92Å; M246-Y405 HydrophobicContact CE-CG 4.35Å; M246-Y405 HydrophobicContact CG-CD1 3.86Å; M246-Y405 HydrophobicContact CG-CD2 4.04Å; M246-Y405 HydrophobicContact CG-CE1 4.17Å; M246-Y405 HydrophobicContact CG-CE2 4.32Å; M246-Y405 HydrophobicContact CG-CG 3.81Å; M246-Y405 HydrophobicContact SD-CD1 4.42Å; Y372-Y405 HydrophobicContact CE1-CE1 4.32Å; Y372-Y405 HydrophobicContact CE2-CE1 4.26Å; Y372-Y405 AromaticContact CZ-CE1 3.81Å; Y372-Y405 PolarHBondContact OH-OH 3.1Å; E401-Y405 PolarHBondContact O-N 2.88Å; V402-Y405 PolarHBondContact O-N 2.86Å; Y405-R407 VanDerWaalsContact C-N 3.33Å; Y405-R407 PolarHBondContact O-N 3.12Å; Y405-R408 PolarHBondContact O-N 2.99Å; Y405-R408 VanDerWaalsContact O-N 3.13Å; Y405-E409 HydrophobicContact CE1-CB 4.35Å; Y405-E409 PolarHBondContact O-N 3.07Å
406	L	97.3	Very high	95.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-42.4	-178.4	-71.2	171.3	0	0	0	111.8	M246 L368 Y372 L386 V402 I403 R408 E409 I410	M246-L406 HydrophobicContact CE-CD2 3.82Å; M246-L406 HydrophobicContact CE-CG 4Å; L368-L406 HydrophobicContact CD2-CD2 4.31Å; Y372-L406 HydrophobicContact CD2-CD2 3.58Å; Y372-L406 HydrophobicContact CE2-CD2 3.91Å; Y372-L406 HydrophobicContact CG-CD2 4.42Å; L386-L406 HydrophobicContact CD1-CD1 4.07Å; V402-L406 HydrophobicContact CG1-CD1 4.06Å; V402-L406 WeakPolarHBondContact O-CG 3.48Å; V402-L406 PolarHBondContact O-N 3.26Å; I403-L406 HydrophobicContact CD1-CD1 4.35Å; I403-L406 PolarHBondContact O-N 3.09Å; L406-R408 PolarHBondContact O-N 3.06Å; L406-E409 PolarHBondContact O-N 3.44Å; L406-I410 HydrophobicContact CB-CD1 4.48Å; L406-I410 WeakPolarHBondContact O-CB 3.43Å; L406-I410 WeakPolarHBondContact O-CD1 3.36Å; L406-I410 WeakPolarHBondContact O-CG1 3.5Å; L406-I410 PolarHBondContact O-N 3.32Å
407	R	97.9	Very high	95.8	Very high	38 Å²	38	34.2 Å²	34.2	14%	0.143	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-43.1	175.7	-83.1	165.1	31.8	72.3	-6.9	112.9	I403 Y405 Y411 A418 N439 G440	I403-R407 HydrophobicContact CG2-CG 4.47Å; I403-R407 VanDerWaalsContact O-CB 3.29Å; I403-R407 WeakPolarHBondContact O-CB 3.28Å; I403-R407 WeakPolarHBondContact O-CD 3.43Å; I403-R407 VanDerWaalsContact O-CG 3.29Å; I403-R407 WeakPolarHBondContact O-CG 3.28Å; I403-R407 PolarHBondContact O-N 3.08Å; Y405-R407 VanDerWaalsContact C-N 3.33Å; Y405-R407 PolarHBondContact O-N 3.12Å; R407-Y411 PolarHBondContact O-N 3.45Å; R407-A418 WeakPolarHBondContact CG-O 3.32Å; R407-A418 PolarHBondContact NH1-O 2.76Å; R407-N439 PolarHBondContact NH1-O 2.94Å; R407-N439 PolarHBondContact NH1-OD1 3.28Å; R407-N439 PolarHBondContact NH2-O 2.61Å; R407-G440 PolarHBondContact NH1-O 2.81Å
408	R	97.2	Very high	96.2	Very high	98 Å²	98	34.3 Å²	34.3	37%	0.37	19%	0.191	S	C	.	.	H	α-helix	trans	-65.5	-45.5	176.3	-69	-178.5	-55.5	-158.2	12.4	111.4	N253 S404 Y405 L406 Y411 S412	N253-R408 PolarHBondContact ND2-NH2 3.31Å; N253-R408 VanDerWaalsContact ND2-NH2 3.17Å; N253-R408 PolarHBondContact OD1-NH1 3.3Å; S404-R408 WeakPolarHBondContact O-CG 3.3Å; S404-R408 PolarHBondContact O-N 2.71Å; Y405-R408 PolarHBondContact O-N 2.99Å; Y405-R408 VanDerWaalsContact O-N 3.13Å; L406-R408 PolarHBondContact O-N 3.06Å; R408-Y411 PolarHBondContact O-N 2.94Å; R408-S412 PolarHBondContact O-N 3.48Å; R408-S412 PolarHBondContact O-OG 2.9Å
409	E	96.8	Very high	96.4	Very high	32 Å²	32	33.6 Å²	33.6	15%	0.15	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-43.7	-178.4	-161	-173	-159.7	0	0	112	L368 R371 Y372 Y405 L406 Y411 S412 T413	L368-E409 HydrophobicContact CD1-CG 4.29Å; L368-E409 WeakPolarHBondContact CD2-OE2 3.42Å; R371-E409 IonicContact CZ-OE1 3.05Å; R371-E409 IonicContact NH1-OE1 3.28Å; R371-E409 PolarHBondContact NH1-OE1 3.45Å; R371-E409 IonicContact NH2-OE1 2.72Å; R371-E409 PolarHBondContact NH2-OE1 2.88Å; R371-E409 IonicContact NH2-OE2 2.89Å; R371-E409 PolarHBondContact NH2-OE2 3.19Å; Y372-E409 WeakPolarHBondContact CE2-OE2 3.35Å; Y372-E409 PolarHBondContact OH-OE1 3.46Å; Y372-E409 VanDerWaalsContact OH-OE1 3.12Å; Y372-E409 PolarHBondContact OH-OE2 3.27Å; Y372-E409 VanDerWaalsContact OH-OE2 3.06Å; Y405-E409 HydrophobicContact CE1-CB 4.35Å; Y405-E409 PolarHBondContact O-N 3.07Å; L406-E409 PolarHBondContact O-N 3.44Å; E409-Y411 VanDerWaalsContact C-N 3.26Å; E409-Y411 PolarHBondContact O-N 3.34Å; E409-S412 PolarHBondContact O-N 2.85Å; E409-S412 VanDerWaalsContact O-N 3.15Å; E409-T413 PolarHBondContact O-N 2.62Å; E409-T413 PolarHBondContact O-OG1 3.03Å
410	I	97.3	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.8	-44.8	173.6	-67.4	160	0	0	0	110.5	L276 L278 F365 L368 V369 L406 T414 A418	L276-I410 HydrophobicContact CD2-CD1 3.99Å; L278-I410 HydrophobicContact CD2-CG2 3.97Å; F365-I410 HydrophobicContact CD2-CD1 3.9Å; F365-I410 HydrophobicContact CD2-CG1 4.16Å; F365-I410 HydrophobicContact CD2-CG2 4.22Å; F365-I410 HydrophobicContact CE2-CD1 3.76Å; L368-I410 HydrophobicContact CD1-CB 4.37Å; L368-I410 HydrophobicContact CD1-CG1 3.92Å; L368-I410 HydrophobicContact CD2-CG1 3.74Å; L368-I410 HydrophobicContact CG-CG1 4.45Å; V369-I410 HydrophobicContact CG2-CD1 4.34Å; L406-I410 HydrophobicContact CB-CD1 4.48Å; L406-I410 WeakPolarHBondContact O-CB 3.43Å; L406-I410 WeakPolarHBondContact O-CD1 3.36Å; L406-I410 WeakPolarHBondContact O-CG1 3.5Å; L406-I410 PolarHBondContact O-N 3.32Å; I410-T414 HydrophobicContact CG2-CG2 4.36Å; I410-T414 VanDerWaalsContact O-CB 3.3Å; I410-T414 WeakPolarHBondContact O-CB 3.45Å; I410-T414 WeakPolarHBondContact O-CG2 3.38Å; I410-T414 PolarHBondContact O-N 2.86Å; I410-T414 PolarHBondContact O-OG1 3.03Å; I410-A418 HydrophobicContact CD1-CB 4.24Å; I410-A418 HydrophobicContact CG2-CB 4.15Å
411	Y	97.3	Very high	96.8	Very high	131 Å²	131	31.1 Å²	31.1	51%	0.514	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-48.1	176.5	-177.7	-100.5	0	0	0	112.3	R407 R408 E409 T413 G415 C416	R407-Y411 PolarHBondContact O-N 3.45Å; R408-Y411 PolarHBondContact O-N 2.94Å; E409-Y411 VanDerWaalsContact C-N 3.26Å; E409-Y411 PolarHBondContact O-N 3.34Å; Y411-T413 PolarHBondContact O-N 2.95Å; Y411-G415 VanDerWaalsContact O-CA 3.29Å; Y411-G415 WeakPolarHBondContact O-CA 3.28Å; Y411-G415 PolarHBondContact O-N 3.46Å; Y411-C416 WeakPolarHBondContact CA-O 2.95Å
412	S	97	Very high	97	Very high	100 Å²	100	29.1 Å²	29.1	70%	0.699	16%	0.16	S	C	*	.	H	α-helix	trans	-63.1	-38.7	-179.9	-65.1	0	0	0	0	113.7	R408 E409	R408-S412 PolarHBondContact O-N 3.48Å; R408-S412 PolarHBondContact O-OG 2.9Å; E409-S412 PolarHBondContact O-N 2.85Å; E409-S412 VanDerWaalsContact O-N 3.15Å
413	T	96.6	Very high	97	Very high	81 Å²	81	29.1 Å²	29.1	50%	0.497	16%	0.16	S	C	.	.	H	α-helix	trans	-84.1	-37.5	-178.4	-51.4	0	0	0	0	112.7	T364 L368 E409 Y411	T364-T413 HydrophobicContact CG2-CG2 3.67Å; L368-T413 HydrophobicContact CD1-CG2 4.38Å; E409-T413 PolarHBondContact O-N 2.62Å; E409-T413 PolarHBondContact O-OG1 3.03Å; Y411-T413 PolarHBondContact O-N 2.95Å
414	T	95.7	Very high	96.9	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-100.6	-22.1	-173.3	72.1	0	0	0	0	114.7	Q288 V361 T364 I410 C416	Q288-T414 PolarHBondContact NE2-O 3.02Å; V361-T414 HydrophobicContact CG1-CG2 4.37Å; T364-T414 HydrophobicContact CG2-CG2 3.89Å; I410-T414 HydrophobicContact CG2-CG2 4.36Å; I410-T414 VanDerWaalsContact O-CB 3.3Å; I410-T414 WeakPolarHBondContact O-CB 3.45Å; I410-T414 WeakPolarHBondContact O-CG2 3.38Å; I410-T414 PolarHBondContact O-N 2.86Å; I410-T414 PolarHBondContact O-OG1 3.03Å; T414-C416 PolarHBondContact O-N 2.95Å; T414-C416 PolarHBondContact OG1-N 3.39Å; T414-C416 VanDerWaalsContact OG1-N 3.09Å; T414-C416 PolarHBondContact OG1-O 2.85Å
415	G	94.5	Very high	96.9	Very high	40 Å²	40	29.9 Å²	29.9	41%	0.412	16%	0.162	S	C	.	.	S	Bend	trans	74.9	4.4	-168.4	0	0	0	0	0	114.9	Y411	Y411-G415 VanDerWaalsContact O-CA 3.29Å; Y411-G415 WeakPolarHBondContact O-CA 3.28Å; Y411-G415 PolarHBondContact O-N 3.46Å
416	C	96	Very high	96.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	16%	0.162	C	C	.	.			trans	-113.1	136.8	179.2	-70.2	0	0	0	0	110.9	Q288 Y411 T414	Q288-C416 PolarHBondContact NE2-SG 3Å; Q288-C416 VanDerWaalsContact NE2-SG 3.36Å; Y411-C416 WeakPolarHBondContact CA-O 2.95Å; T414-C416 PolarHBondContact O-N 2.95Å; T414-C416 PolarHBondContact OG1-N 3.39Å; T414-C416 VanDerWaalsContact OG1-N 3.09Å; T414-C416 PolarHBondContact OG1-O 2.85Å
417	S	96.4	Very high	96.8	Very high	23 Å²	23	29.7 Å²	29.7	16%	0.161	16%	0.162	C	C	.	.			trans	-77.4	145	172.6	56.3	0	0	0	0	111.6	D279 N439	D279-S417 WeakPolarHBondContact CB-OG 3.12Å; D279-S417 PolarHBondContact N-O 3.39Å; S417-N439 WeakPolarHBondContact CB-OD1 3.47Å
418	A	97.6	Very high	96.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.4	172.4	0	0	0	0	0	109.7	L278 R407 I410	L278-A418 HydrophobicContact CD2-CB 3.88Å; R407-A418 WeakPolarHBondContact CG-O 3.32Å; R407-A418 PolarHBondContact NH1-O 2.76Å; I410-A418 HydrophobicContact CD1-CB 4.24Å; I410-A418 HydrophobicContact CG2-CB 4.15Å
419	S	98.4	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.3	169.5	-68.8	0	0	0	0	110.3	D277 D279 A436 K437 N439 G440	D277-S419 PolarHBondContact N-O 3.31Å; D277-S419 PolarHBondContact O-N 2.97Å; D279-S419 PolarHBondContact OD1-OG 2.94Å; D279-S419 PolarHBondContact OD2-N 3.11Å; D279-S419 PolarHBondContact OD2-OG 2.91Å; S419-A436 PolarHBondContact OG-O 2.9Å; S419-K437 WeakPolarHBondContact OG-CG 3.44Å; S419-N439 WeakPolarHBondContact OG-CA 3.5Å; S419-N439 PolarHBondContact OG-N 2.85Å; S419-G440 WeakPolarHBondContact CA-O 3.45Å; S419-G440 PolarHBondContact OG-N 3.25Å
420	A	98.5	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.3	-173.2	0	0	0	0	0	114.1	H275 L276 I403 A436 G440 Q441 Y442	H275-A420 VanDerWaalsContact O-CA 3.25Å; H275-A420 WeakPolarHBondContact O-CA 3.48Å; L276-A420 HydrophobicContact CG-CB 4.21Å; I403-A420 HydrophobicContact CG2-CB 3.4Å; A420-A436 WeakPolarHBondContact O-CB 3.39Å; A420-G440 PolarHBondContact N-O 2.95Å; A420-G440 VanDerWaalsContact N-O 3.1Å; A420-Q441 HydrophobicContact CB-CB 4.44Å; A420-Q441 CarbonylContact O-C 3.53Å; A420-Q441 WeakPolarHBondContact O-CA 3.42Å; A420-Y442 PolarHBondContact O-N 3.44Å
421	G	98.2	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.3	170.8	0	0	0	0	0	111.1	A274 H275 A429 T433 Y442	A274-G421 CarbonylContact C-O 3.59Å; A274-G421 VanDerWaalsContact CA-O 3.31Å; A274-G421 WeakPolarHBondContact CA-O 3.46Å; H275-G421 PolarHBondContact N-O 3.4Å; H275-G421 PolarHBondContact O-N 3.06Å; G421-A429 CarbonylContact C-O 3.58Å; G421-A429 WeakPolarHBondContact CA-O 3.28Å; G421-T433 VanDerWaalsContact CA-OG1 3.3Å; G421-T433 WeakPolarHBondContact CA-OG1 3.37Å; G421-T433 PolarHBondContact N-OG1 2.96Å; G421-Y442 WeakPolarHBondContact CA-O 3.44Å
422	I	97.9	Very high	96.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.9	-175.4	-59.9	161.1	0	0	0	108.3	P271 I273 A274 I403 Y442 V443 V444	P271-I422 HydrophobicContact CB-CG2 4.06Å; P271-I422 HydrophobicContact CG-CG2 4.08Å; P271-I422 WeakPolarHBondContact O-CG2 3.38Å; I273-I422 CarbonylContact O-C 3.58Å; I273-I422 WeakPolarHBondContact O-CA 3.44Å; A274-I422 HydrophobicContact CB-CG1 4.18Å; I403-I422 HydrophobicContact CB-CD1 3.9Å; I403-I422 HydrophobicContact CG1-CD1 3.9Å; I403-I422 HydrophobicContact CG1-CG1 4.14Å; I403-I422 HydrophobicContact CG2-CD1 4Å; I422-Y442 PolarHBondContact N-O 3.05Å; I422-V443 HydrophobicContact CB-CG2 4.2Å; I422-V443 HydrophobicContact CD1-CG2 3.84Å; I422-V443 HydrophobicContact CG2-CG1 4.41Å; I422-V444 PolarHBondContact O-N 3.02Å
423	G	96.5	Very high	96.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	175.1	-176.7	0	0	0	0	0	113.2	P271 F272 I273 N425	P271-G423 CarbonylContact C-O 3.56Å; F272-G423 PolarHBondContact N-O 2.99Å; I273-G423 WeakPolarHBondContact CA-O 3.47Å; I273-G423 WeakPolarHBondContact CB-O 3.29Å; I273-G423 PolarHBondContact N-O 2.98Å; I273-G423 PolarHBondContact O-N 3.37Å; I273-G423 VanDerWaalsContact O-O 3.09Å; G423-N425 VanDerWaalsContact C-N 3.26Å; G423-N425 PolarHBondContact O-N 3.12Å
424	P	94.9	Very high	96.8	Very high	30 Å²	30	16.5 Å²	16.5	20%	0.195	9%	0.086	C	C	.	.	S	Bend	trans	-75.1	-12.5	177.3	30.4	-35.8	0	0	0	113.6	V444 V449	P424-V444 WeakPolarHBondContact CD-O 3.28Å; P424-V449 HydrophobicContact CG-CG2 3.83Å
425	N	95.3	Very high	96.8	Very high	25 Å²	25	20.9 Å²	20.9	13%	0.134	11%	0.107	C	C	.	.	S	Bend	trans	-152.5	171.1	177.1	64.5	49.4	0	0	0	111.7	G423 L427 V428 A429 G509 D511	G423-N425 VanDerWaalsContact C-N 3.26Å; G423-N425 PolarHBondContact O-N 3.12Å; N425-L427 PolarHBondContact O-N 3.12Å; N425-L427 WeakPolarHBondContact OD1-CB 3.38Å; N425-L427 PolarHBondContact OD1-N 3.25Å; N425-V428 PolarHBondContact O-N 3.42Å; N425-V428 WeakPolarHBondContact OD1-CG2 3.29Å; N425-V428 PolarHBondContact OD1-N 2.86Å; N425-A429 WeakPolarHBondContact O-CB 3.38Å; N425-A429 PolarHBondContact O-N 3.3Å; N425-G509 PolarHBondContact ND2-O 3.11Å; N425-D511 HydrophobicContact CB-CB 4.41Å; N425-D511 WeakPolarHBondContact CB-O 3.37Å
426	K	95.9	Very high	96.9	Very high	14 Å²	14	19.3 Å²	19.3	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-41.8	-174.8	-61.2	-162.2	-52.5	-169.9	0	113.2	I273 E377 Y385 A429 R430 A513 P514 V515	I273-K426 HydrophobicContact CG2-CG 4.05Å; E377-K426 VanDerWaalsContact CD-NZ 3.27Å; E377-K426 IonicContact OE1-NZ 2.76Å; E377-K426 PolarHBondContact OE1-NZ 3.32Å; E377-K426 VanDerWaalsContact OE2-CD 3.31Å; E377-K426 WeakPolarHBondContact OE2-CD 3.38Å; E377-K426 IonicContact OE2-NZ 3.87Å; E377-K426 PolarHBondContact OE2-NZ 2.93Å; Y385-K426 HydrophobicContact CD1-CB 4.02Å; Y385-K426 HydrophobicContact CD1-CD 4.23Å; Y385-K426 HydrophobicContact CD1-CG 4.02Å; Y385-K426 HydrophobicContact CD2-CD 3.95Å; Y385-K426 HydrophobicContact CE1-CB 3.63Å; Y385-K426 HydrophobicContact CE1-CD 4.44Å; Y385-K426 HydrophobicContact CE1-CG 4.14Å; Y385-K426 WeakPolarHBondContact CE1-O 3.34Å; Y385-K426 HydrophobicContact CE2-CB 4.5Å; Y385-K426 HydrophobicContact CE2-CD 4.16Å; Y385-K426 HydrophobicContact CG-CD 3.99Å; Y385-K426 HydrophobicContact CG-CG 4.27Å; K426-A429 PolarHBondContact O-N 2.89Å; K426-R430 WeakPolarHBondContact O-CB 3.47Å; K426-R430 PolarHBondContact O-N 3.32Å; K426-A513 WeakPolarHBondContact CE-O 3.4Å; K426-P514 WeakPolarHBondContact CE-O 3.49Å; K426-P514 PolarHBondContact NZ-O 2.99Å; K426-V515 HydrophobicContact CD-CG2 4.28Å
427	L	96.4	Very high	96.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-56.1	-53.5	175.6	171.9	73.3	0	0	0	111.7	N425 R430 L431 L461 P462 K506 D511	N425-L427 PolarHBondContact O-N 3.12Å; N425-L427 WeakPolarHBondContact OD1-CB 3.38Å; N425-L427 PolarHBondContact OD1-N 3.25Å; L427-R430 PolarHBondContact O-N 2.95Å; L427-L431 HydrophobicContact CD1-CD1 3.87Å; L427-L431 HydrophobicContact CD1-CG 4.47Å; L427-L431 HydrophobicContact CG-CD1 4.04Å; L427-L431 WeakPolarHBondContact O-CG 3.49Å; L427-L431 PolarHBondContact O-N 3.27Å; L427-L461 HydrophobicContact CD1-CD2 4.28Å; L427-P462 HydrophobicContact CD1-CG 4.2Å; L427-K506 HydrophobicContact CD1-CB 4.4Å; L427-K506 HydrophobicContact CD1-CD 4.17Å; L427-K506 HydrophobicContact CD1-CG 4.1Å; L427-K506 HydrophobicContact CD2-CB 3.99Å; L427-K506 HydrophobicContact CD2-CG 3.9Å; L427-D511 HydrophobicContact CB-CB 3.6Å; L427-D511 HydrophobicContact CD2-CB 4.41Å
428	V	97.4	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-42.7	-177.4	177.6	0	0	0	0	110.7	N425 R430 L431 A432 V444 V449 F452	N425-V428 PolarHBondContact O-N 3.42Å; N425-V428 WeakPolarHBondContact OD1-CG2 3.29Å; N425-V428 PolarHBondContact OD1-N 2.86Å; V428-R430 PolarHBondContact O-N 2.86Å; V428-L431 PolarHBondContact O-N 3.3Å; V428-A432 VanDerWaalsContact O-CB 3.25Å; V428-A432 WeakPolarHBondContact O-CB 3.34Å; V428-A432 PolarHBondContact O-N 2.94Å; V428-V444 HydrophobicContact CG1-CB 3.61Å; V428-V444 HydrophobicContact CG1-CG1 3.66Å; V428-V444 HydrophobicContact CG1-CG2 4.11Å; V428-V449 HydrophobicContact CG2-CG1 4.01Å; V428-V449 HydrophobicContact CG2-CG2 4.39Å; V428-F452 HydrophobicContact CG1-CD1 4.34Å; V428-F452 HydrophobicContact CG1-CE1 4.32Å
429	A	97.8	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.4	-43.3	175.8	0	0	0	0	0	112.5	I273 H275 G421 N425 K426 A432 T433	I273-A429 HydrophobicContact CG2-CB 3.95Å; I273-A429 WeakPolarHBondContact O-CB 3.39Å; H275-A429 HydrophobicContact CB-CB 4.03Å; G421-A429 CarbonylContact C-O 3.58Å; G421-A429 WeakPolarHBondContact CA-O 3.28Å; N425-A429 WeakPolarHBondContact O-CB 3.38Å; N425-A429 PolarHBondContact O-N 3.3Å; K426-A429 PolarHBondContact O-N 2.89Å; A429-A432 PolarHBondContact O-N 2.83Å; A429-T433 PolarHBondContact O-N 3.07Å; A429-T433 PolarHBondContact O-OG1 2.73Å
430	R	97.6	Very high	96.7	Very high	70 Å²	70	28.9 Å²	28.9	26%	0.264	15%	0.146	S	C	.	.	H	α-helix	trans	-64.2	-43.9	176.6	-165.4	-167.8	-166.2	78.2	8.8	112.3	H275 E383 Y385 K426 L427 V428 T433	H275-R430 PolarHBondContact NE2-NH1 3.4Å; E383-R430 IonicContact OE1-CZ 2.88Å; E383-R430 IonicContact OE1-NH1 3.22Å; E383-R430 PolarHBondContact OE1-NH1 2.85Å; E383-R430 IonicContact OE1-NH2 3.8Å; E383-R430 PolarHBondContact OE1-NH2 2.77Å; E383-R430 IonicContact OE2-CZ 3.95Å; E383-R430 IonicContact OE2-NH1 2.65Å; E383-R430 IonicContact OE2-NH2 3.77Å; E383-R430 PolarHBondContact OE2-NH2 3.1Å; Y385-R430 HydrophobicContact CE1-CB 4.24Å; Y385-R430 PolarHBondContact OH-NH1 3.27Å; K426-R430 WeakPolarHBondContact O-CB 3.47Å; K426-R430 PolarHBondContact O-N 3.32Å; L427-R430 PolarHBondContact O-N 2.95Å; V428-R430 PolarHBondContact O-N 2.86Å; R430-T433 WeakPolarHBondContact O-CB 3.32Å; R430-T433 PolarHBondContact O-N 3.26Å
431	L	97.5	Very high	96.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-40.7	178.4	-70.3	171.2	0	0	0	111.5	L427 V428 T433 R434 F452 M453 I456 D460 L461	L427-L431 HydrophobicContact CD1-CD1 3.87Å; L427-L431 HydrophobicContact CD1-CG 4.47Å; L427-L431 HydrophobicContact CG-CD1 4.04Å; L427-L431 WeakPolarHBondContact O-CG 3.49Å; L427-L431 PolarHBondContact O-N 3.27Å; V428-L431 PolarHBondContact O-N 3.3Å; L431-T433 PolarHBondContact O-N 3.49Å; L431-R434 WeakPolarHBondContact O-CB 3.45Å; L431-R434 PolarHBondContact O-N 3.09Å; L431-F452 HydrophobicContact CB-CE1 3.77Å; L431-F452 HydrophobicContact CB-CZ 3.92Å; L431-M453 HydrophobicContact CD1-CE 3.76Å; L431-M453 HydrophobicContact CD1-SD 3.6Å; L431-M453 VanDerWaalsContact CD1-SD 3.6Å; L431-I456 HydrophobicContact CB-CD1 4.47Å; L431-I456 HydrophobicContact CD1-CG1 4.38Å; L431-I456 HydrophobicContact CD1-CG2 4.26Å; L431-I456 HydrophobicContact CD2-CG2 3.93Å; L431-D460 HydrophobicContact CD2-CB 4.37Å; L431-L461 HydrophobicContact CD1-CD2 4.22Å
432	A	97.8	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-36.6	172.3	0	0	0	0	0	111.7	V428 A429 R434 M435 A436 Y442 V444 F452	V428-A432 VanDerWaalsContact O-CB 3.25Å; V428-A432 WeakPolarHBondContact O-CB 3.34Å; V428-A432 PolarHBondContact O-N 2.94Å; A429-A432 PolarHBondContact O-N 2.83Å; A432-R434 PolarHBondContact O-N 3.08Å; A432-M435 PolarHBondContact O-N 3.05Å; A432-M435 VanDerWaalsContact O-N 3.07Å; A432-A436 PolarHBondContact O-N 3.37Å; A432-Y442 HydrophobicContact CB-CD1 3.96Å; A432-V444 HydrophobicContact CB-CG2 4.04Å; A432-F452 HydrophobicContact CB-CZ 4.39Å
433	T	98.1	Very high	96.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-28.6	176.9	-50.4	0	0	0	0	112.5	H275 D277 G421 A429 R430 L431 A436 K437	H275-T433 WeakPolarHBondContact ND1-CB 3.41Å; H275-T433 PolarHBondContact ND1-OG1 3.46Å; H275-T433 PolarHBondContact O-OG1 2.83Å; D277-T433 HydrophobicContact CB-CG2 3.92Å; G421-T433 VanDerWaalsContact CA-OG1 3.3Å; G421-T433 WeakPolarHBondContact CA-OG1 3.37Å; G421-T433 PolarHBondContact N-OG1 2.96Å; A429-T433 PolarHBondContact O-N 3.07Å; A429-T433 PolarHBondContact O-OG1 2.73Å; R430-T433 WeakPolarHBondContact O-CB 3.32Å; R430-T433 PolarHBondContact O-N 3.26Å; L431-T433 PolarHBondContact O-N 3.49Å; T433-A436 PolarHBondContact O-N 3.12Å; T433-K437 WeakPolarHBondContact O-CG 3.25Å; T433-K437 PolarHBondContact O-N 2.89Å
434	R	95.5	Very high	96.5	Very high	130 Å²	130	38.4 Å²	38.4	49%	0.491	19%	0.19	S	C	.	.	H	α-helix	trans	-68.3	-37.2	175.1	-59.2	179.7	58.9	70.2	-7	111.7	L431 A432 A436 D460	L431-R434 WeakPolarHBondContact O-CB 3.45Å; L431-R434 PolarHBondContact O-N 3.09Å; A432-R434 PolarHBondContact O-N 3.08Å; R434-A436 VanDerWaalsContact C-N 3.34Å; R434-D460 IonicContact CZ-OD1 3.32Å; R434-D460 IonicContact CZ-OD2 3.98Å; R434-D460 VanDerWaalsContact NE-CG 3.28Å; R434-D460 IonicContact NE-OD1 3.31Å; R434-D460 IonicContact NE-OD2 3.64Å; R434-D460 PolarHBondContact NE-OD2 3.19Å; R434-D460 IonicContact NH2-OD1 3.8Å; R434-D460 PolarHBondContact NH2-OD1 2.64Å; R434-D460 IonicContact NH2-OD2 3.35Å; R434-D460 PolarHBondContact NH2-OD2 3.2Å
435	M	95.1	Very high	96.5	Very high	98 Å²	98	39.3 Å²	39.3	48%	0.483	20%	0.195	S	C	.	.	H	α-helix	trans	-75.8	-25.3	174.6	-52.2	-51.7	-179.5	0	0	112.2	A432 K437 Y442 F452 I456	A432-M435 PolarHBondContact O-N 3.05Å; A432-M435 VanDerWaalsContact O-N 3.07Å; M435-K437 VanDerWaalsContact C-N 3.34Å; M435-Y442 HydrophobicContact CB-CD1 4.26Å; M435-Y442 HydrophobicContact CB-CD2 4.28Å; M435-Y442 HydrophobicContact CB-CG 4.12Å; M435-F452 HydrophobicContact CG-CE2 4.02Å; M435-F452 HydrophobicContact CG-CZ 4.47Å; M435-I456 HydrophobicContact CE-CD1 3.55Å
436	A	97.1	Very high	96.3	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-76.3	-13.7	177.6	0	0	0	0	0	114.5	S419 A420 A432 T433 R434 G440	S419-A436 PolarHBondContact OG-O 2.9Å; A420-A436 WeakPolarHBondContact O-CB 3.39Å; A432-A436 PolarHBondContact O-N 3.37Å; T433-A436 PolarHBondContact O-N 3.12Å; R434-A436 VanDerWaalsContact C-N 3.34Å; A436-G440 CarbonylContact O-C 3.59Å; A436-G440 WeakPolarHBondContact O-CA 3.43Å; A436-G440 PolarHBondContact O-N 2.65Å
437	K	96	Very high	96.2	Very high	45 Å²	45	50.4 Å²	50.4	20%	0.196	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	136.9	-174.3	-81.8	179	179.9	-75.1	0	112.7	D277 D279 Y325 S419 T433 M435	D277-K437 PolarHBondContact O-NZ 2.93Å; D277-K437 WeakPolarHBondContact OD1-CE 3.41Å; D277-K437 IonicContact OD1-NZ 2.68Å; D277-K437 PolarHBondContact OD1-NZ 3.3Å; D277-K437 WeakPolarHBondContact OD2-CE 3.46Å; D277-K437 IonicContact OD2-NZ 3.99Å; D279-K437 WeakPolarHBondContact OD1-CG 3.41Å; D279-K437 IonicContact OD1-NZ 2.74Å; D279-K437 PolarHBondContact OD1-NZ 2.89Å; Y325-K437 HydrophobicContact CE1-CB 4.31Å; S419-K437 WeakPolarHBondContact OG-CG 3.44Å; T433-K437 WeakPolarHBondContact O-CG 3.25Å; T433-K437 PolarHBondContact O-N 2.89Å; M435-K437 VanDerWaalsContact C-N 3.34Å
438	P	95.2	Very high	96.1	Very high	75 Å²	75	54.9 Å²	54.9	49%	0.487	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.1	154.8	1.2	33.8	-35	0	0	0	114.9	Y325 G440	Y325-P438 HydrophobicContact CD1-CB 3.86Å; Y325-P438 HydrophobicContact CD1-CG 4.02Å; Y325-P438 HydrophobicContact CD2-CB 3.74Å; Y325-P438 HydrophobicContact CD2-CG 4.48Å; Y325-P438 HydrophobicContact CE1-CB 3.79Å; Y325-P438 HydrophobicContact CE1-CG 4.31Å; Y325-P438 HydrophobicContact CE2-CB 3.67Å; Y325-P438 HydrophobicContact CG-CB 3.84Å; Y325-P438 HydrophobicContact CG-CG 4.12Å; P438-G440 PolarHBondContact O-N 2.88Å
439	N	95.6	Very high	96	Very high	87 Å²	87	55.7 Å²	55.7	47%	0.465	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	24	171.3	-163.7	21.6	0	0	0	116.7	D279 R407 S417 S419	D279-N439 WeakPolarHBondContact OD2-CA 3.42Å; D279-N439 PolarHBondContact OD2-N 3.04Å; R407-N439 PolarHBondContact NH1-O 2.94Å; R407-N439 PolarHBondContact NH1-OD1 3.28Å; R407-N439 PolarHBondContact NH2-O 2.61Å; S417-N439 WeakPolarHBondContact CB-OD1 3.47Å; S419-N439 WeakPolarHBondContact OG-CA 3.5Å; S419-N439 PolarHBondContact OG-N 2.85Å
440	G	96.5	Very high	95.8	Very high	19 Å²	19	59.4 Å²	59.4	20%	0.196	30%	0.303	C	S	.	.			trans	-109.4	177.8	-179.2	0	0	0	0	0	113.7	R407 S419 A420 A436 P438	R407-G440 PolarHBondContact NH1-O 2.81Å; S419-G440 WeakPolarHBondContact CA-O 3.45Å; S419-G440 PolarHBondContact OG-N 3.25Å; A420-G440 PolarHBondContact N-O 2.95Å; A420-G440 VanDerWaalsContact N-O 3.1Å; A436-G440 CarbonylContact O-C 3.59Å; A436-G440 WeakPolarHBondContact O-CA 3.43Å; A436-G440 PolarHBondContact O-N 2.65Å; P438-G440 PolarHBondContact O-N 2.88Å
441	Q	97.7	Very high	95.7	Very high	47 Å²	47	63 Å²	63	22%	0.22	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.3	163.7	65.5	-166.6	65.8	0	0	110.4	S400 I403 A420	S400-Q441 PolarHBondContact O-NE2 2.93Å; S400-Q441 PolarHBondContact OG-NE2 3.05Å; I403-Q441 HydrophobicContact CG2-CB 4.21Å; A420-Q441 HydrophobicContact CB-CB 4.44Å; A420-Q441 CarbonylContact O-C 3.53Å; A420-Q441 WeakPolarHBondContact O-CA 3.42Å
442	Y	97.2	Very high	95.7	Very high	102 Å²	102	63.9 Å²	63.9	40%	0.4	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.5	-177.9	-163.4	-96.7	0	0	0	110.7	A420 G421 I422 A432 M435 V444 F452	A420-Y442 PolarHBondContact O-N 3.44Å; G421-Y442 WeakPolarHBondContact CA-O 3.44Å; I422-Y442 PolarHBondContact N-O 3.05Å; A432-Y442 HydrophobicContact CB-CD1 3.96Å; M435-Y442 HydrophobicContact CB-CD1 4.26Å; M435-Y442 HydrophobicContact CB-CD2 4.28Å; M435-Y442 HydrophobicContact CB-CG 4.12Å; Y442-V444 HydrophobicContact CD1-CG2 3.87Å; Y442-V444 HydrophobicContact CE1-CG2 3.69Å; Y442-F452 HydrophobicContact CD1-CE2 4.31Å; Y442-F452 AromaticContact CE1-CD2 3.98Å; Y442-F452 HydrophobicContact CE1-CD2 3.98Å; Y442-F452 AromaticContact CE1-CE2 3.76Å; Y442-F452 HydrophobicContact CE1-CE2 3.76Å
443	V	96.8	Very high	95.6	Very high	50 Å²	50	63.9 Å²	63.9	30%	0.303	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.9	-177.3	-177.5	0	0	0	0	109.3	P271 I422	P271-V443 HydrophobicContact CG-CG1 3.58Å; I422-V443 HydrophobicContact CB-CG2 4.2Å; I422-V443 HydrophobicContact CD1-CG2 3.84Å; I422-V443 HydrophobicContact CG2-CG1 4.41Å
444	V	95.8	Very high	95.5	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.012	34%	0.343	C	S	.	.			trans	-118.7	106.6	170.7	-177.7	0	0	0	0	108.2	P271 I422 P424 V428 A432 Y442 Q448 V449 F452	P271-V444 WeakPolarHBondContact CB-O 3.24Å; I422-V444 PolarHBondContact O-N 3.02Å; P424-V444 WeakPolarHBondContact CD-O 3.28Å; V428-V444 HydrophobicContact CG1-CB 3.61Å; V428-V444 HydrophobicContact CG1-CG1 3.66Å; V428-V444 HydrophobicContact CG1-CG2 4.11Å; A432-V444 HydrophobicContact CB-CG2 4.04Å; Y442-V444 HydrophobicContact CD1-CG2 3.87Å; Y442-V444 HydrophobicContact CE1-CG2 3.69Å; V444-Q448 HydrophobicContact CG1-CB 4.09Å; V444-V449 HydrophobicContact CG1-CG2 4.08Å; V444-F452 HydrophobicContact CG1-CB 3.96Å; V444-F452 HydrophobicContact CG1-CD1 4.16Å; V444-F452 HydrophobicContact CG1-CG 3.99Å; V444-F452 HydrophobicContact CG2-CB 4.49Å; V444-F452 HydrophobicContact CG2-CD1 4.04Å; V444-F452 HydrophobicContact CG2-CD2 3.68Å; V444-F452 HydrophobicContact CG2-CE1 4.18Å; V444-F452 HydrophobicContact CG2-CE2 3.83Å; V444-F452 HydrophobicContact CG2-CG 3.79Å; V444-F452 HydrophobicContact CG2-CZ 4.09Å
445	T	94.2	Very high	95.5	Very high	49 Å²	49	65.1 Å²	65.1	30%	0.301	35%	0.35	S	S	.	.			trans	-71.4	158	173.1	65.7	0	0	0	0	110.9	P271 K447 Q448 V449	P271-T445 HydrophobicContact CG-CG2 4.45Å; T445-K447 PolarHBondContact O-N 3.36Å; T445-K447 VanDerWaalsContact O-N 3.08Å; T445-Q448 PolarHBondContact O-N 3.13Å; T445-Q448 VanDerWaalsContact OG1-CD 3.3Å; T445-Q448 WeakPolarHBondContact OG1-CG 3.33Å; T445-Q448 PolarHBondContact OG1-OE1 2.85Å; T445-V449 PolarHBondContact O-N 3.19Å
446	S	92.2	Very high	95.6	Very high	66 Å²	66	60.6 Å²	60.6	46%	0.462	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-52.1	-34.2	178.8	-53.1	0	0	0	0	113.4	Q448	S446-Q448 VanDerWaalsContact C-N 3.33Å; S446-Q448 PolarHBondContact O-N 2.84Å
447	K	92.8	Very high	95.5	Very high	206 Å²	206	62.7 Å²	62.7	90%	0.896	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-71.3	-22.9	177.4	-64.4	176.3	-177.8	172.3	0	113.7	T445	T445-K447 PolarHBondContact O-N 3.36Å; T445-K447 VanDerWaalsContact O-N 3.08Å
448	Q	94	Very high	95.5	Very high	96 Å²	96	60.6 Å²	60.6	45%	0.449	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-92.4	-10	-178.8	-69.4	163.3	-50.2	0	0	113.2	V444 T445 S446 S450 H451 F452	V444-Q448 HydrophobicContact CG1-CB 4.09Å; T445-Q448 PolarHBondContact O-N 3.13Å; T445-Q448 VanDerWaalsContact OG1-CD 3.3Å; T445-Q448 WeakPolarHBondContact OG1-CG 3.33Å; T445-Q448 PolarHBondContact OG1-OE1 2.85Å; S446-Q448 VanDerWaalsContact C-N 3.33Å; S446-Q448 PolarHBondContact O-N 2.84Å; Q448-S450 PolarHBondContact O-N 3.07Å; Q448-H451 PolarHBondContact O-N 3.21Å; Q448-F452 VanDerWaalsContact O-CB 3.28Å; Q448-F452 WeakPolarHBondContact O-CB 3.28Å; Q448-F452 PolarHBondContact O-N 3.03Å
449	V	95	Very high	95.5	Very high	17 Å²	17	58.3 Å²	58.3	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-58.2	-46.1	-169	175.9	0	0	0	0	113.2	P424 V428 V444 T445 F452 M453	P424-V449 HydrophobicContact CG-CG2 3.83Å; V428-V449 HydrophobicContact CG2-CG1 4.01Å; V428-V449 HydrophobicContact CG2-CG2 4.39Å; V444-V449 HydrophobicContact CG1-CG2 4.08Å; T445-V449 PolarHBondContact O-N 3.19Å; V449-F452 PolarHBondContact O-N 3.34Å; V449-M453 HydrophobicContact CG1-CG 4.03Å; V449-M453 VanDerWaalsContact O-CB 3.27Å; V449-M453 WeakPolarHBondContact O-CB 3.38Å; V449-M453 WeakPolarHBondContact O-CG 3.42Å; V449-M453 PolarHBondContact O-N 2.69Å
450	S	94.6	Very high	95.4	Very high	79 Å²	79	56.8 Å²	56.8	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-57.9	-55.9	-179.6	-170	0	0	0	0	111.3	Q448 F452 M453 E454	Q448-S450 PolarHBondContact O-N 3.07Å; S450-F452 PolarHBondContact O-N 3.42Å; S450-M453 PolarHBondContact O-N 2.67Å; S450-M453 VanDerWaalsContact O-N 3.09Å; S450-E454 VanDerWaalsContact O-CG 3.31Å; S450-E454 WeakPolarHBondContact O-CG 3.41Å; S450-E454 PolarHBondContact O-N 3.13Å; S450-E454 PolarHBondContact OG-OE1 2.95Å
451	H	95.9	Very high	95.3	Very high	144 Å²	144	56.1 Å²	56.1	67%	0.667	31%	0.307	S	S	*	.	H	α-helix	trans	-64.3	-38.8	-177.4	-174.2	52.8	0	0	0	113	Q448 M453 E454	Q448-H451 PolarHBondContact O-N 3.21Å; H451-M453 VanDerWaalsContact C-N 3.34Å; H451-E454 PolarHBondContact N-OE1 2.92Å; H451-E454 IonicContact ND1-OE2 2.74Å; H451-E454 PolarHBondContact ND1-OE2 3.36Å
452	F	96.3	Very high	95.1	Very high	20 Å²	20	55.8 Å²	55.8	9%	0.088	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-45.7	172.4	173.7	-99.8	0	0	0	111.3	V428 L431 A432 M435 Y442 V444 Q448 V449 S450 I456	V428-F452 HydrophobicContact CG1-CD1 4.34Å; V428-F452 HydrophobicContact CG1-CE1 4.32Å; L431-F452 HydrophobicContact CB-CE1 3.77Å; L431-F452 HydrophobicContact CB-CZ 3.92Å; A432-F452 HydrophobicContact CB-CZ 4.39Å; M435-F452 HydrophobicContact CG-CE2 4.02Å; M435-F452 HydrophobicContact CG-CZ 4.47Å; Y442-F452 HydrophobicContact CD1-CE2 4.31Å; Y442-F452 AromaticContact CE1-CD2 3.98Å; Y442-F452 HydrophobicContact CE1-CD2 3.98Å; Y442-F452 AromaticContact CE1-CE2 3.76Å; Y442-F452 HydrophobicContact CE1-CE2 3.76Å; V444-F452 HydrophobicContact CG1-CB 3.96Å; V444-F452 HydrophobicContact CG1-CD1 4.16Å; V444-F452 HydrophobicContact CG1-CG 3.99Å; V444-F452 HydrophobicContact CG2-CB 4.49Å; V444-F452 HydrophobicContact CG2-CD1 4.04Å; V444-F452 HydrophobicContact CG2-CD2 3.68Å; V444-F452 HydrophobicContact CG2-CE1 4.18Å; V444-F452 HydrophobicContact CG2-CE2 3.83Å; V444-F452 HydrophobicContact CG2-CG 3.79Å; V444-F452 HydrophobicContact CG2-CZ 4.09Å; Q448-F452 VanDerWaalsContact O-CB 3.28Å; Q448-F452 WeakPolarHBondContact O-CB 3.28Å; Q448-F452 PolarHBondContact O-N 3.03Å; V449-F452 PolarHBondContact O-N 3.34Å; S450-F452 PolarHBondContact O-N 3.42Å; F452-I456 HydrophobicContact CE1-CD1 4.11Å; F452-I456 HydrophobicContact CE1-CG1 4.36Å; F452-I456 HydrophobicContact CE2-CD1 4.41Å; F452-I456 HydrophobicContact CZ-CD1 3.93Å; F452-I456 WeakPolarHBondContact O-CG1 3.18Å
453	M	97.2	Very high	94.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-68.4	-40.7	-178.9	-73.4	-59.5	-43.9	0	0	112.6	L431 V449 S450 H451 A455 I456 L461 C480 K506	L431-M453 HydrophobicContact CD1-CE 3.76Å; L431-M453 HydrophobicContact CD1-SD 3.6Å; L431-M453 VanDerWaalsContact CD1-SD 3.6Å; V449-M453 HydrophobicContact CG1-CG 4.03Å; V449-M453 VanDerWaalsContact O-CB 3.27Å; V449-M453 WeakPolarHBondContact O-CB 3.38Å; V449-M453 WeakPolarHBondContact O-CG 3.42Å; V449-M453 PolarHBondContact O-N 2.69Å; S450-M453 PolarHBondContact O-N 2.67Å; S450-M453 VanDerWaalsContact O-N 3.09Å; H451-M453 VanDerWaalsContact C-N 3.34Å; M453-A455 PolarHBondContact O-N 3.32Å; M453-A455 VanDerWaalsContact O-N 3.11Å; M453-I456 HydrophobicContact CE-CB 4.39Å; M453-I456 HydrophobicContact CE-CG1 4.28Å; M453-I456 WeakPolarHBondContact O-CB 3.32Å; M453-I456 PolarHBondContact O-N 2.9Å; M453-I456 HydrophobicContact SD-CG1 4.38Å; M453-L461 HydrophobicContact CE-CD2 4.01Å; M453-C480 HydrophobicContact CE-CB 4.27Å; M453-C480 VanDerWaalsContact O-CB 3.25Å; M453-C480 WeakPolarHBondContact O-CB 3.43Å; M453-K506 WeakPolarHBondContact CE-O 3.48Å
454	E	95.8	Very high	94.6	Very high	81 Å²	81	52.9 Å²	52.9	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-47.9	-41.9	-179.8	-77.3	150.2	-143.9	0	0	112.8	S450 H451 G481	S450-E454 VanDerWaalsContact O-CG 3.31Å; S450-E454 WeakPolarHBondContact O-CG 3.41Å; S450-E454 PolarHBondContact O-N 3.13Å; S450-E454 PolarHBondContact OG-OE1 2.95Å; H451-E454 PolarHBondContact N-OE1 2.92Å; H451-E454 IonicContact ND1-OE2 2.74Å; H451-E454 PolarHBondContact ND1-OE2 3.36Å; E454-G481 PolarHBondContact O-N 3.23Å; E454-G481 VanDerWaalsContact O-N 3.07Å
455	A	95.1	Very high	94.4	Very high	76 Å²	76	54.6 Å²	54.6	63%	0.628	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.4	-179.4	0	0	0	0	0	115.3	M453	M453-A455 PolarHBondContact O-N 3.32Å; M453-A455 VanDerWaalsContact O-N 3.11Å
456	I	96.9	Very high	94.1	Very high	3 Å²	3	62 Å²	62	2%	0.015	36%	0.358	C	S	.	.	S	Bend	trans	-73.2	130.4	-176.4	-60.2	-62.1	0	0	0	110.8	L431 M435 F452 M453 D460 L461 T479 C480	L431-I456 HydrophobicContact CB-CD1 4.47Å; L431-I456 HydrophobicContact CD1-CG1 4.38Å; L431-I456 HydrophobicContact CD1-CG2 4.26Å; L431-I456 HydrophobicContact CD2-CG2 3.93Å; M435-I456 HydrophobicContact CE-CD1 3.55Å; F452-I456 HydrophobicContact CE1-CD1 4.11Å; F452-I456 HydrophobicContact CE1-CG1 4.36Å; F452-I456 HydrophobicContact CE2-CD1 4.41Å; F452-I456 HydrophobicContact CZ-CD1 3.93Å; F452-I456 WeakPolarHBondContact O-CG1 3.18Å; M453-I456 HydrophobicContact CE-CB 4.39Å; M453-I456 HydrophobicContact CE-CG1 4.28Å; M453-I456 WeakPolarHBondContact O-CB 3.32Å; M453-I456 PolarHBondContact O-N 2.9Å; M453-I456 HydrophobicContact SD-CG1 4.38Å; I456-D460 HydrophobicContact CG2-CB 4.26Å; I456-L461 HydrophobicContact CG2-CD2 4.47Å; I456-T479 CarbonylContact O-C 3.58Å; I456-T479 VanDerWaalsContact O-CA 3.26Å; I456-T479 WeakPolarHBondContact O-CA 3.43Å; I456-C480 PolarHBondContact O-N 3.25Å; I456-C480 PolarHBondContact O-SG 3.44Å
457	S	95.8	Very high	94.1	Very high	52 Å²	52	62 Å²	62	36%	0.364	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-60.6	132.1	168.1	166.1	0	0	0	0	110.8	G459 D460	S457-G459 PolarHBondContact O-N 2.99Å; S457-G459 VanDerWaalsContact O-N 3.1Å; S457-G459 PolarHBondContact OG-N 3.14Å; S457-D460 WeakPolarHBondContact O-CB 3.38Å; S457-D460 PolarHBondContact O-N 3.39Å
458	V	96	Very high	94.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-62.7	-21.4	176.5	-59.6	0	0	0	0	113	D460 L461 V464 L469 L472 V477 A478 T479 L483	V458-D460 PolarHBondContact O-N 2.79Å; V458-L461 WeakPolarHBondContact O-CB 3.14Å; V458-L461 PolarHBondContact O-N 3.1Å; V458-V464 VanDerWaalsContact O-CB 3.28Å; V458-V464 WeakPolarHBondContact O-CB 2.96Å; V458-V464 VanDerWaalsContact O-CG1 3.28Å; V458-V464 WeakPolarHBondContact O-CG1 3.49Å; V458-V464 WeakPolarHBondContact O-CG2 3.32Å; V458-L469 HydrophobicContact CG2-CD1 3.85Å; V458-L472 HydrophobicContact CB-CD1 4Å; V458-L472 HydrophobicContact CG2-CB 4.14Å; V458-L472 HydrophobicContact CG2-CD1 3.77Å; V458-V477 HydrophobicContact CG1-CG1 3.74Å; V458-V477 HydrophobicContact CG2-CG1 4.41Å; V458-A478 PolarHBondContact N-O 3.28Å; V458-T479 VanDerWaalsContact CG1-O 3.28Å; V458-T479 WeakPolarHBondContact CG1-O 3.31Å; V458-L483 HydrophobicContact CG1-CB 4.13Å; V458-L483 HydrophobicContact CG1-CD2 4.01Å
459	G	93.8	Very high	94.2	Very high	27 Å²	27	50.7 Å²	50.7	28%	0.278	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-71.8	-12.8	173.2	0	0	0	0	0	114.5	S457	S457-G459 PolarHBondContact O-N 2.99Å; S457-G459 VanDerWaalsContact O-N 3.1Å; S457-G459 PolarHBondContact OG-N 3.14Å
460	D	94.1	Very high	94.2	Very high	56 Å²	56	56.5 Å²	56.5	30%	0.299	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-94	-9.8	176.4	-72.5	8.8	0	0	0	112.4	L431 R434 I456 S457 V458	L431-D460 HydrophobicContact CD2-CB 4.37Å; R434-D460 IonicContact CZ-OD1 3.32Å; R434-D460 IonicContact CZ-OD2 3.98Å; R434-D460 VanDerWaalsContact NE-CG 3.28Å; R434-D460 IonicContact NE-OD1 3.31Å; R434-D460 IonicContact NE-OD2 3.64Å; R434-D460 PolarHBondContact NE-OD2 3.19Å; R434-D460 IonicContact NH2-OD1 3.8Å; R434-D460 PolarHBondContact NH2-OD1 2.64Å; R434-D460 IonicContact NH2-OD2 3.35Å; R434-D460 PolarHBondContact NH2-OD2 3.2Å; I456-D460 HydrophobicContact CG2-CB 4.26Å; S457-D460 WeakPolarHBondContact O-CB 3.38Å; S457-D460 PolarHBondContact O-N 3.39Å; V458-D460 PolarHBondContact O-N 2.79Å
461	L	95.3	Very high	94.1	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	33%	0.33	C	S	.	.	S	Bend	trans	-67.6	128.3	177.8	-73.5	-177.3	0	0	0	111.6	L427 L431 M453 I456 V458 G463 V464 L483 K506	L427-L461 HydrophobicContact CD1-CD2 4.28Å; L431-L461 HydrophobicContact CD1-CD2 4.22Å; M453-L461 HydrophobicContact CE-CD2 4.01Å; I456-L461 HydrophobicContact CG2-CD2 4.47Å; V458-L461 WeakPolarHBondContact O-CB 3.14Å; V458-L461 PolarHBondContact O-N 3.1Å; L461-G463 PolarHBondContact O-N 2.79Å; L461-G463 VanDerWaalsContact O-N 3.1Å; L461-V464 HydrophobicContact CB-CB 4.36Å; L461-V464 HydrophobicContact CB-CG2 3.67Å; L461-V464 HydrophobicContact CD1-CG2 4.43Å; L461-V464 PolarHBondContact O-N 2.84Å; L461-L483 HydrophobicContact CD1-CD2 4.07Å; L461-K506 HydrophobicContact CD1-CB 4.4Å; L461-K506 HydrophobicContact CD2-CB 4.27Å
462	P	92.5	Very high	94.1	Very high	40 Å²	40	50.7 Å²	50.7	26%	0.26	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	117.1	178.9	-28.3	37.7	0	0	0	112.8	L427 K506	L427-P462 HydrophobicContact CD1-CG 4.2Å; P462-K506 PolarHBondContact O-NZ 2.76Å
463	G	90.6	Very high	94	Very high	73 Å²	73	56.3 Å²	56.3	75%	0.753	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	-7.9	-176.6	0	0	0	0	0	115	L461 G465	L461-G463 PolarHBondContact O-N 2.79Å; L461-G463 VanDerWaalsContact O-N 3.1Å; G463-G465 PolarHBondContact O-N 2.57Å; G463-G465 VanDerWaalsContact O-N 3.08Å
464	V	93.4	Very high	93.8	Very high	18 Å²	18	61.4 Å²	61.4	11%	0.109	35%	0.349	C	S	.	.			trans	-84.3	80.4	175	-176	0	0	0	0	110.3	V458 L461 T468 L469 L472 L503	V458-V464 VanDerWaalsContact O-CB 3.28Å; V458-V464 WeakPolarHBondContact O-CB 2.96Å; V458-V464 VanDerWaalsContact O-CG1 3.28Å; V458-V464 WeakPolarHBondContact O-CG1 3.49Å; V458-V464 WeakPolarHBondContact O-CG2 3.32Å; L461-V464 HydrophobicContact CB-CB 4.36Å; L461-V464 HydrophobicContact CB-CG2 3.67Å; L461-V464 HydrophobicContact CD1-CG2 4.43Å; L461-V464 PolarHBondContact O-N 2.84Å; V464-T468 HydrophobicContact CG1-CG2 3.98Å; V464-T468 HydrophobicContact CG2-CG2 4.34Å; V464-L469 HydrophobicContact CG1-CB 4.04Å; V464-L472 HydrophobicContact CG1-CD1 3.9Å; V464-L503 HydrophobicContact CG2-CD2 3.73Å
465	G	90.6	Very high	93.6	Very high	38 Å²	38	60 Å²	60	39%	0.392	35%	0.345	S	S	.	.			trans	-69.8	173.1	171.3	0	0	0	0	0	113.1	G463 S467 T468 L469	G463-G465 PolarHBondContact O-N 2.57Å; G463-G465 VanDerWaalsContact O-N 3.08Å; G465-S467 PolarHBondContact O-N 2.71Å; G465-S467 VanDerWaalsContact O-N 3.07Å; G465-T468 PolarHBondContact O-N 2.9Å; G465-T468 VanDerWaalsContact O-N 3.09Å; G465-L469 WeakPolarHBondContact O-CB 3.25Å; G465-L469 PolarHBondContact O-N 3.11Å
466	Y	89.4	Confident	93.5	Very high	205 Å²	205	65.6 Å²	65.6	80%	0.804	35%	0.354	S	S	*	.	H	α-helix	trans	-50.9	-35.7	-176.9	68.5	-88.7	0	0	0	114.4	K470	Y466-K470 WeakPolarHBondContact O-CB 3.36Å; Y466-K470 PolarHBondContact O-N 3.27Å
467	S	91.6	Very high	93.4	Very high	66 Å²	66	65.7 Å²	65.7	46%	0.462	36%	0.355	S	S	.	.	H	α-helix	trans	-73.3	-43.4	-179.8	50.6	0	0	0	0	112.5	G465 K470 K471	G465-S467 PolarHBondContact O-N 2.71Å; G465-S467 VanDerWaalsContact O-N 3.07Å; S467-K470 PolarHBondContact O-N 2.76Å; S467-K471 PolarHBondContact O-N 3.07Å; S467-K471 VanDerWaalsContact O-N 3.15Å
468	T	94	Very high	93.4	Very high	21 Å²	21	66 Å²	66	13%	0.129	36%	0.361	C	S	.	.	H	α-helix	trans	-65.3	-43.6	172.5	-49.9	0	0	0	0	110.7	V464 G465 K470 K471 L472 F495 L503	V464-T468 HydrophobicContact CG1-CG2 3.98Å; V464-T468 HydrophobicContact CG2-CG2 4.34Å; G465-T468 PolarHBondContact O-N 2.9Å; G465-T468 VanDerWaalsContact O-N 3.09Å; T468-K470 VanDerWaalsContact C-N 3.33Å; T468-K470 PolarHBondContact O-N 3.5Å; T468-K471 PolarHBondContact O-N 2.88Å; T468-L472 HydrophobicContact CG2-CD1 4.16Å; T468-L472 WeakPolarHBondContact O-CG 3.35Å; T468-L472 PolarHBondContact O-N 2.79Å; T468-F495 HydrophobicContact CG2-CD1 4.01Å; T468-F495 HydrophobicContact CG2-CE1 3.82Å; T468-L503 HydrophobicContact CG2-CD1 4.29Å
469	L	94.4	Very high	93.5	Very high	44 Å²	44	68 Å²	68	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-62.3	-38.3	176.5	-177	58.1	0	0	0	112.3	V458 V464 G465 L472 K473	V458-L469 HydrophobicContact CG2-CD1 3.85Å; V464-L469 HydrophobicContact CG1-CB 4.04Å; G465-L469 WeakPolarHBondContact O-CB 3.25Å; G465-L469 PolarHBondContact O-N 3.11Å; L469-L472 PolarHBondContact O-N 2.98Å; L469-K473 WeakPolarHBondContact O-CG 3.38Å; L469-K473 PolarHBondContact O-N 2.79Å
470	K	94.2	Very high	93.6	Very high	138 Å²	138	66.8 Å²	66.8	60%	0.6	36%	0.36	S	S	*	.	H	α-helix	trans	-60.5	-53.8	172.5	-172.8	-173.6	171.5	-176.5	0	110.6	Y466 S467 T468 L472 K473 D474	Y466-K470 WeakPolarHBondContact O-CB 3.36Å; Y466-K470 PolarHBondContact O-N 3.27Å; S467-K470 PolarHBondContact O-N 2.76Å; T468-K470 VanDerWaalsContact C-N 3.33Å; T468-K470 PolarHBondContact O-N 3.5Å; K470-L472 PolarHBondContact O-N 2.91Å; K470-K473 CarbonylContact O-C 3.58Å; K470-K473 WeakPolarHBondContact O-CA 3.34Å; K470-K473 WeakPolarHBondContact O-CB 3.47Å; K470-K473 PolarHBondContact O-N 3.11Å; K470-D474 PolarHBondContact O-N 2.82Å
471	K	93.7	Very high	93.7	Very high	101 Å²	101	64.8 Å²	64.8	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-55.5	-36.2	177.9	-76.4	-174.6	168.9	-163.1	0	113.4	S467 T468 L475 R494 F495	S467-K471 PolarHBondContact O-N 3.07Å; S467-K471 VanDerWaalsContact O-N 3.15Å; T468-K471 PolarHBondContact O-N 2.88Å; K471-L475 WeakPolarHBondContact O-CG 3.31Å; K471-L475 PolarHBondContact O-N 3.06Å; K471-R494 PolarHBondContact NZ-O 3.5Å; K471-F495 HydrophobicContact CB-CD1 4.45Å; K471-F495 HydrophobicContact CB-CE1 3.5Å; K471-F495 VanDerWaalsContact CB-CE1 3.5Å; K471-F495 HydrophobicContact CB-CZ 3.78Å; K471-F495 HydrophobicContact CD-CD1 4.04Å; K471-F495 HydrophobicContact CD-CE1 3.89Å; K471-F495 HydrophobicContact CG-CE1 4.38Å
472	L	94.9	Very high	93.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-69.5	-41.6	175.8	-71.3	166	0	0	0	111.7	V458 V464 T468 L469 K470 D474 L475 K476 V477 L483 F495 L503	V458-L472 HydrophobicContact CB-CD1 4Å; V458-L472 HydrophobicContact CG2-CB 4.14Å; V458-L472 HydrophobicContact CG2-CD1 3.77Å; V464-L472 HydrophobicContact CG1-CD1 3.9Å; T468-L472 HydrophobicContact CG2-CD1 4.16Å; T468-L472 WeakPolarHBondContact O-CG 3.35Å; T468-L472 PolarHBondContact O-N 2.79Å; L469-L472 PolarHBondContact O-N 2.98Å; K470-L472 PolarHBondContact O-N 2.91Å; L472-D474 VanDerWaalsContact C-N 3.34Å; L472-D474 PolarHBondContact O-N 2.81Å; L472-L475 CarbonylContact O-C 3.54Å; L472-L475 WeakPolarHBondContact O-CA 3.42Å; L472-L475 WeakPolarHBondContact O-CB 3.26Å; L472-L475 PolarHBondContact O-N 3.1Å; L472-L475 VanDerWaalsContact O-N 3.07Å; L472-K476 PolarHBondContact O-N 2.78Å; L472-V477 CarbonylContact C-O 3.59Å; L472-V477 HydrophobicContact CB-CB 4.27Å; L472-V477 HydrophobicContact CB-CG1 4.49Å; L472-V477 HydrophobicContact CD2-CB 4.29Å; L472-V477 HydrophobicContact CD2-CG1 4.12Å; L472-V477 WeakPolarHBondContact O-CB 3.3Å; L472-V477 PolarHBondContact O-N 3.46Å; L472-L483 HydrophobicContact CD2-CD1 3.93Å; L472-F495 HydrophobicContact CD2-CE1 4.28Å; L472-F495 HydrophobicContact CD2-CE2 4.07Å; L472-F495 HydrophobicContact CD2-CZ 3.53Å; L472-F495 HydrophobicContact CG-CE1 4.08Å; L472-F495 HydrophobicContact CG-CZ 3.71Å; L472-L503 HydrophobicContact CD1-CD2 4.32Å
473	K	93.8	Very high	93.9	Very high	139 Å²	139	64.2 Å²	64.2	60%	0.604	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-36.4	172.1	-72.2	179	175.6	-171	0	113	L469 K470 L475 K476	L469-K473 WeakPolarHBondContact O-CG 3.38Å; L469-K473 PolarHBondContact O-N 2.79Å; K470-K473 CarbonylContact O-C 3.58Å; K470-K473 WeakPolarHBondContact O-CA 3.34Å; K470-K473 WeakPolarHBondContact O-CB 3.47Å; K470-K473 PolarHBondContact O-N 3.11Å; K473-L475 PolarHBondContact O-N 2.79Å; K473-K476 WeakPolarHBondContact O-CA 3.12Å; K473-K476 PolarHBondContact O-N 2.86Å
474	D	93.2	Very high	94.1	Very high	107 Å²	107	63.2 Å²	63.2	57%	0.572	33%	0.327	S	S	*	.	H	α-helix	trans	-63.1	-25.2	173.7	-57.8	-30.2	0	0	0	111.3	K470 L472	K470-D474 PolarHBondContact O-N 2.82Å; L472-D474 VanDerWaalsContact C-N 3.34Å; L472-D474 PolarHBondContact O-N 2.81Å
475	L	92.2	Very high	94.1	Very high	53 Å²	53	70.9 Å²	70.9	28%	0.277	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	8.6	170.7	-63.3	172.2	0	0	0	113.9	K471 L472 K473 V477 L486 R494 F495	K471-L475 WeakPolarHBondContact O-CG 3.31Å; K471-L475 PolarHBondContact O-N 3.06Å; L472-L475 CarbonylContact O-C 3.54Å; L472-L475 WeakPolarHBondContact O-CA 3.42Å; L472-L475 WeakPolarHBondContact O-CB 3.26Å; L472-L475 PolarHBondContact O-N 3.1Å; L472-L475 VanDerWaalsContact O-N 3.07Å; K473-L475 PolarHBondContact O-N 2.79Å; L475-V477 HydrophobicContact CB-CG2 4.23Å; L475-V477 PolarHBondContact O-N 2.8Å; L475-L486 HydrophobicContact CD1-CD1 4.4Å; L475-R494 HydrophobicContact CD1-CB 4.45Å; L475-R494 HydrophobicContact CD1-CG 4.29Å; L475-F495 HydrophobicContact CD1-CE2 3.81Å; L475-F495 HydrophobicContact CD1-CZ 4.11Å
476	K	94.2	Very high	94.2	Very high	192 Å²	192	71.1 Å²	71.1	84%	0.835	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	20.2	-174.3	-53.9	179.3	-177.5	175.4	0	115.3	L472 K473	L472-K476 PolarHBondContact O-N 2.78Å; K473-K476 WeakPolarHBondContact O-CA 3.12Å; K473-K476 PolarHBondContact O-N 2.86Å
477	V	94.7	Very high	94.4	Very high	6 Å²	6	65 Å²	65	4%	0.036	33%	0.327	C	S	.	.			trans	-86.6	121.1	176.3	174.5	0	0	0	0	110	V458 L472 L475 D482 L483 L486	V458-V477 HydrophobicContact CG1-CG1 3.74Å; V458-V477 HydrophobicContact CG2-CG1 4.41Å; L472-V477 CarbonylContact C-O 3.59Å; L472-V477 HydrophobicContact CB-CB 4.27Å; L472-V477 HydrophobicContact CB-CG1 4.49Å; L472-V477 HydrophobicContact CD2-CB 4.29Å; L472-V477 HydrophobicContact CD2-CG1 4.12Å; L472-V477 WeakPolarHBondContact O-CB 3.3Å; L472-V477 PolarHBondContact O-N 3.46Å; L475-V477 HydrophobicContact CB-CG2 4.23Å; L475-V477 PolarHBondContact O-N 2.8Å; V477-D482 HydrophobicContact CB-CB 4.38Å; V477-D482 HydrophobicContact CG1-CB 4Å; V477-D482 HydrophobicContact CG2-CB 4.45Å; V477-L483 HydrophobicContact CG1-CB 3.84Å; V477-L483 HydrophobicContact CG1-CD1 4.34Å; V477-L486 HydrophobicContact CG2-CD1 3.7Å; V477-L486 HydrophobicContact CG2-CG 4.41Å
478	A	94.8	Very high	94.5	Very high	58 Å²	58	64.6 Å²	64.6	48%	0.479	32%	0.32	S	S	.	.			trans	-115.1	-38.4	177.6	0	0	0	0	0	112.8	V458 D482	V458-A478 PolarHBondContact N-O 3.28Å; A478-D482 PolarHBondContact N-OD2 3.31Å; A478-D482 VanDerWaalsContact N-OD2 3.15Å
479	T	97.3	Very high	94.6	Very high	43 Å²	43	67.7 Å²	67.7	26%	0.264	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-113.7	162.5	-178.3	64.9	0	0	0	0	112	I456 V458 G481 D482 L483	I456-T479 CarbonylContact O-C 3.58Å; I456-T479 VanDerWaalsContact O-CA 3.26Å; I456-T479 WeakPolarHBondContact O-CA 3.43Å; V458-T479 VanDerWaalsContact CG1-O 3.28Å; V458-T479 WeakPolarHBondContact CG1-O 3.31Å; T479-G481 PolarHBondContact O-N 3.35Å; T479-G481 PolarHBondContact OG1-N 3.45Å; T479-D482 PolarHBondContact N-OD2 3.43Å; T479-D482 WeakPolarHBondContact O-CB 3.3Å; T479-D482 PolarHBondContact O-N 2.9Å; T479-D482 PolarHBondContact OG1-N 3.5Å; T479-D482 PolarHBondContact OG1-OD2 2.86Å; T479-L483 PolarHBondContact O-N 2.89Å
480	C	96.7	Very high	94.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-31.2	169.4	-63.8	0	0	0	0	111.1	M453 I456 D482 L483 V484 A507	M453-C480 HydrophobicContact CE-CB 4.27Å; M453-C480 VanDerWaalsContact O-CB 3.25Å; M453-C480 WeakPolarHBondContact O-CB 3.43Å; I456-C480 PolarHBondContact O-N 3.25Å; I456-C480 PolarHBondContact O-SG 3.44Å; C480-D482 PolarHBondContact O-N 3.15Å; C480-L483 CarbonylContact O-C 3.59Å; C480-L483 PolarHBondContact O-N 3.3Å; C480-V484 WeakPolarHBondContact O-CG2 3.32Å; C480-V484 PolarHBondContact O-N 2.87Å; C480-A507 HydrophobicContact CB-CB 4.46Å
481	G	96.4	Very high	94.6	Very high	14 Å²	14	61.2 Å²	61.2	14%	0.144	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-29.5	169	0	0	0	0	0	113.6	E454 T479 R485	E454-G481 PolarHBondContact O-N 3.23Å; E454-G481 VanDerWaalsContact O-N 3.07Å; T479-G481 PolarHBondContact O-N 3.35Å; T479-G481 PolarHBondContact OG1-N 3.45Å; G481-R485 PolarHBondContact O-NH1 3.38Å
482	D	95.9	Very high	94.7	Very high	32 Å²	32	58.7 Å²	58.7	17%	0.171	31%	0.307	C	S	.	.	H	α-helix	trans	-76.3	-41.7	169.1	-52.5	-47	0	0	0	112.2	V477 A478 T479 C480 V484 R485	V477-D482 HydrophobicContact CB-CB 4.38Å; V477-D482 HydrophobicContact CG1-CB 4Å; V477-D482 HydrophobicContact CG2-CB 4.45Å; A478-D482 PolarHBondContact N-OD2 3.31Å; A478-D482 VanDerWaalsContact N-OD2 3.15Å; T479-D482 PolarHBondContact N-OD2 3.43Å; T479-D482 WeakPolarHBondContact O-CB 3.3Å; T479-D482 PolarHBondContact O-N 2.9Å; T479-D482 PolarHBondContact OG1-N 3.5Å; T479-D482 PolarHBondContact OG1-OD2 2.86Å; C480-D482 PolarHBondContact O-N 3.15Å; D482-V484 VanDerWaalsContact C-N 3.33Å; D482-V484 PolarHBondContact O-N 2.95Å; D482-R485 PolarHBondContact O-N 3.34Å; D482-R485 IonicContact OD1-CZ 3.61Å; D482-R485 VanDerWaalsContact OD1-CZ 3.29Å; D482-R485 IonicContact OD1-NH1 3.78Å; D482-R485 PolarHBondContact OD1-NH1 2.98Å; D482-R485 IonicContact OD1-NH2 2.71Å; D482-R485 PolarHBondContact OD1-NH2 3.21Å
483	L	95.2	Very high	94.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-68.9	-28.8	-178.4	-173.1	54.2	0	0	0	113.2	V458 L461 L472 V477 T479 C480 R485 L486 L491 L503 A507	V458-L483 HydrophobicContact CG1-CB 4.13Å; V458-L483 HydrophobicContact CG1-CD2 4.01Å; L461-L483 HydrophobicContact CD1-CD2 4.07Å; L472-L483 HydrophobicContact CD2-CD1 3.93Å; V477-L483 HydrophobicContact CG1-CB 3.84Å; V477-L483 HydrophobicContact CG1-CD1 4.34Å; T479-L483 PolarHBondContact O-N 2.89Å; C480-L483 CarbonylContact O-C 3.59Å; C480-L483 PolarHBondContact O-N 3.3Å; L483-R485 VanDerWaalsContact C-N 3.27Å; L483-R485 PolarHBondContact O-N 3.42Å; L483-L486 HydrophobicContact CD1-CD1 4.31Å; L483-L486 PolarHBondContact O-N 3.33Å; L483-L491 HydrophobicContact CD1-CD1 3.85Å; L483-L491 HydrophobicContact CD1-CD2 3.64Å; L483-L491 HydrophobicContact CD1-CG 4.39Å; L483-L503 HydrophobicContact CD2-CB 4.26Å; L483-L503 HydrophobicContact CD2-CD2 4.07Å; L483-A507 HydrophobicContact CB-CB 3.94Å; L483-A507 HydrophobicContact CD2-CB 3.82Å; L483-A507 HydrophobicContact CG-CB 3.69Å
484	V	95	Very high	94.6	Very high	53 Å²	53	64.8 Å²	64.8	32%	0.321	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-32.5	172.7	167.1	0	0	0	0	111.5	C480 D482 L486 A507 R508	C480-V484 WeakPolarHBondContact O-CG2 3.32Å; C480-V484 PolarHBondContact O-N 2.87Å; D482-V484 VanDerWaalsContact C-N 3.33Å; D482-V484 PolarHBondContact O-N 2.95Å; V484-L486 PolarHBondContact O-N 3.19Å; V484-A507 HydrophobicContact CG2-CB 3.91Å; V484-A507 WeakPolarHBondContact CG2-O 3.27Å; V484-R508 HydrophobicContact CG2-CG 3.95Å; V484-R508 PolarHBondContact O-NH2 2.98Å
485	R	93.6	Very high	94.6	Very high	178 Å²	178	60.5 Å²	60.5	67%	0.672	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-4.9	178.7	-56.1	-170.2	-54.8	-92	6.9	113.7	G481 D482 L483	G481-R485 PolarHBondContact O-NH1 3.38Å; D482-R485 PolarHBondContact O-N 3.34Å; D482-R485 IonicContact OD1-CZ 3.61Å; D482-R485 VanDerWaalsContact OD1-CZ 3.29Å; D482-R485 IonicContact OD1-NH1 3.78Å; D482-R485 PolarHBondContact OD1-NH1 2.98Å; D482-R485 IonicContact OD1-NH2 2.71Å; D482-R485 PolarHBondContact OD1-NH2 3.21Å; L483-R485 VanDerWaalsContact C-N 3.27Å; L483-R485 PolarHBondContact O-N 3.42Å
486	L	93.2	Very high	94.6	Very high	43 Å²	43	59.7 Å²	59.7	23%	0.225	31%	0.313	C	S	.	.	S	Bend	trans	-92.9	138	169.7	-63	-176.2	0	0	0	110.7	L475 V477 L483 V484 L491	L475-L486 HydrophobicContact CD1-CD1 4.4Å; V477-L486 HydrophobicContact CG2-CD1 3.7Å; V477-L486 HydrophobicContact CG2-CG 4.41Å; L483-L486 HydrophobicContact CD1-CD1 4.31Å; L483-L486 PolarHBondContact O-N 3.33Å; V484-L486 PolarHBondContact O-N 3.19Å; L486-L491 HydrophobicContact CB-CD1 4.38Å; L486-L491 HydrophobicContact CB-CD2 4.25Å; L486-L491 HydrophobicContact CB-CG 4.14Å; L486-L491 HydrophobicContact CD1-CD2 3.83Å
487	D	93	Very high	94.6	Very high	77 Å²	77	57.2 Å²	57.2	41%	0.412	30%	0.302	S	S	.	.			trans	-74.8	161.7	175.9	77.1	-21.1	0	0	0	112	P489 T490 L491	D487-P489 WeakPolarHBondContact OD2-CB 3.42Å; D487-P489 WeakPolarHBondContact OD2-CD 3.34Å; D487-P489 WeakPolarHBondContact OD2-CG 3.4Å; D487-T490 WeakPolarHBondContact OD1-CA 3.42Å; D487-T490 WeakPolarHBondContact OD1-CB 3.31Å; D487-T490 PolarHBondContact OD1-N 3.33Å; D487-T490 PolarHBondContact OD1-OG1 3.08Å; D487-L491 WeakPolarHBondContact O-CG 3.25Å; D487-L491 PolarHBondContact O-N 3.48Å
488	L	94.8	Very high	94.6	Very high	58 Å²	58	65 Å²	65	30%	0.304	34%	0.336	S	S	.	.	H	α-helix	trans	-63.5	-43.3	177.5	179.6	62.6	0	0	0	112.1	T490 L491 V492 E501 Y504	L488-T490 PolarHBondContact O-N 2.8Å; L488-L491 PolarHBondContact O-N 3.16Å; L488-V492 HydrophobicContact CD1-CG2 3.78Å; L488-V492 HydrophobicContact CG-CG2 4.08Å; L488-V492 WeakPolarHBondContact O-CB 3.49Å; L488-V492 VanDerWaalsContact O-CG2 3.31Å; L488-V492 WeakPolarHBondContact O-CG2 3.31Å; L488-V492 PolarHBondContact O-N 3.14Å; L488-E501 HydrophobicContact CD1-CB 4.46Å; L488-E501 HydrophobicContact CD1-CG 3.99Å; L488-Y504 HydrophobicContact CB-CD1 4.42Å; L488-Y504 HydrophobicContact CB-CD2 3.84Å; L488-Y504 HydrophobicContact CB-CE2 3.96Å; L488-Y504 HydrophobicContact CB-CG 4.09Å; L488-Y504 HydrophobicContact CD1-CD1 4.34Å; L488-Y504 HydrophobicContact CD1-CD2 4.4Å; L488-Y504 HydrophobicContact CD1-CG 3.92Å
489	P	95.6	Very high	94.5	Very high	86 Å²	86	66.1 Å²	66.1	56%	0.558	33%	0.333	S	S	*	.	H	α-helix	trans	-52.1	-48.4	174	-30	35.1	0	0	0	115	D487 L491 V492 Q493	D487-P489 WeakPolarHBondContact OD2-CB 3.42Å; D487-P489 WeakPolarHBondContact OD2-CD 3.34Å; D487-P489 WeakPolarHBondContact OD2-CG 3.4Å; P489-L491 PolarHBondContact O-N 3.09Å; P489-V492 PolarHBondContact O-N 3.5Å; P489-Q493 WeakPolarHBondContact O-CB 3.45Å; P489-Q493 PolarHBondContact O-N 3.03Å
490	T	93.4	Very high	94.4	Very high	45 Å²	45	64.1 Å²	64.1	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-42	179.2	-61.8	0	0	0	0	111.5	D487 L488 Q493 R494	D487-T490 WeakPolarHBondContact OD1-CA 3.42Å; D487-T490 WeakPolarHBondContact OD1-CB 3.31Å; D487-T490 PolarHBondContact OD1-N 3.33Å; D487-T490 PolarHBondContact OD1-OG1 3.08Å; L488-T490 PolarHBondContact O-N 2.8Å; T490-Q493 PolarHBondContact O-N 2.65Å; T490-R494 HydrophobicContact CG2-CG 4.25Å; T490-R494 WeakPolarHBondContact O-CB 3.48Å; T490-R494 WeakPolarHBondContact O-CG 3.45Å; T490-R494 PolarHBondContact O-N 3Å
491	L	94.4	Very high	94.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-42	177.5	-67.7	178.8	0	0	0	111.9	L483 L486 D487 L488 P489 Q493 R494 F495 L503 Y504	L483-L491 HydrophobicContact CD1-CD1 3.85Å; L483-L491 HydrophobicContact CD1-CD2 3.64Å; L483-L491 HydrophobicContact CD1-CG 4.39Å; L486-L491 HydrophobicContact CB-CD1 4.38Å; L486-L491 HydrophobicContact CB-CD2 4.25Å; L486-L491 HydrophobicContact CB-CG 4.14Å; L486-L491 HydrophobicContact CD1-CD2 3.83Å; D487-L491 WeakPolarHBondContact O-CG 3.25Å; D487-L491 PolarHBondContact O-N 3.48Å; L488-L491 PolarHBondContact O-N 3.16Å; P489-L491 PolarHBondContact O-N 3.09Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; L491-Q493 PolarHBondContact O-N 3.38Å; L491-R494 PolarHBondContact O-N 3.16Å; L491-F495 HydrophobicContact CD2-CD2 4.07Å; L491-F495 HydrophobicContact CD2-CE2 3.9Å; L491-F495 WeakPolarHBondContact O-CB 3.45Å; L491-F495 WeakPolarHBondContact O-CD2 3.47Å; L491-F495 PolarHBondContact O-N 2.96Å; L491-L503 HydrophobicContact CD1-CB 4.4Å; L491-Y504 HydrophobicContact CD1-CD2 4.14Å
492	V	95.4	Very high	94.2	Very high	48 Å²	48	69.7 Å²	69.7	29%	0.291	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-40.8	174	166.8	0	0	0	0	111.2	L488 P489 G496 K497 E501	L488-V492 HydrophobicContact CD1-CG2 3.78Å; L488-V492 HydrophobicContact CG-CG2 4.08Å; L488-V492 WeakPolarHBondContact O-CB 3.49Å; L488-V492 VanDerWaalsContact O-CG2 3.31Å; L488-V492 WeakPolarHBondContact O-CG2 3.31Å; L488-V492 PolarHBondContact O-N 3.14Å; P489-V492 PolarHBondContact O-N 3.5Å; V492-G496 CarbonylContact O-C 3.43Å; V492-G496 WeakPolarHBondContact O-CA 3.35Å; V492-G496 PolarHBondContact O-N 3.14Å; V492-K497 HydrophobicContact CG1-CB 4.33Å; V492-E501 HydrophobicContact CG2-CG 4.38Å
493	Q	93.9	Very high	94.2	Very high	139 Å²	139	68.5 Å²	68.5	65%	0.65	34%	0.34	S	S	*	.	H	α-helix	trans	-68.6	-40.3	178.9	-165.4	-158.7	59.2	0	0	112.8	P489 T490 L491	P489-Q493 WeakPolarHBondContact O-CB 3.45Å; P489-Q493 PolarHBondContact O-N 3.03Å; T490-Q493 PolarHBondContact O-N 2.65Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; L491-Q493 PolarHBondContact O-N 3.38Å
494	R	92.6	Very high	94.2	Very high	128 Å²	128	72.1 Å²	72.1	48%	0.483	35%	0.354	S	S	.	.	H	α-helix	trans	-85.1	-29.9	-175.8	-67.5	-62.8	-154.5	-97.2	3.8	114.3	K471 L475 T490 L491	K471-R494 PolarHBondContact NZ-O 3.5Å; L475-R494 HydrophobicContact CD1-CB 4.45Å; L475-R494 HydrophobicContact CD1-CG 4.29Å; T490-R494 HydrophobicContact CG2-CG 4.25Å; T490-R494 WeakPolarHBondContact O-CB 3.48Å; T490-R494 WeakPolarHBondContact O-CG 3.45Å; T490-R494 PolarHBondContact O-N 3Å; L491-R494 PolarHBondContact O-N 3.16Å
495	F	93.2	Very high	94.3	Very high	17 Å²	17	71 Å²	71	8%	0.075	35%	0.351	C	S	.	.	H	α-helix	trans	-115.4	-12.8	-174.6	-61.6	-91.5	0	0	0	114.2	T468 K471 L472 L475 L491 I499 L503	T468-F495 HydrophobicContact CG2-CD1 4.01Å; T468-F495 HydrophobicContact CG2-CE1 3.82Å; K471-F495 HydrophobicContact CB-CD1 4.45Å; K471-F495 HydrophobicContact CB-CE1 3.5Å; K471-F495 VanDerWaalsContact CB-CE1 3.5Å; K471-F495 HydrophobicContact CB-CZ 3.78Å; K471-F495 HydrophobicContact CD-CD1 4.04Å; K471-F495 HydrophobicContact CD-CE1 3.89Å; K471-F495 HydrophobicContact CG-CE1 4.38Å; L472-F495 HydrophobicContact CD2-CE1 4.28Å; L472-F495 HydrophobicContact CD2-CE2 4.07Å; L472-F495 HydrophobicContact CD2-CZ 3.53Å; L472-F495 HydrophobicContact CG-CE1 4.08Å; L472-F495 HydrophobicContact CG-CZ 3.71Å; L475-F495 HydrophobicContact CD1-CE2 3.81Å; L475-F495 HydrophobicContact CD1-CZ 4.11Å; L491-F495 HydrophobicContact CD2-CD2 4.07Å; L491-F495 HydrophobicContact CD2-CE2 3.9Å; L491-F495 WeakPolarHBondContact O-CB 3.45Å; L491-F495 WeakPolarHBondContact O-CD2 3.47Å; L491-F495 PolarHBondContact O-N 2.96Å; F495-I499 HydrophobicContact CB-CB 3.99Å; F495-I499 HydrophobicContact CB-CG2 3.82Å; F495-I499 HydrophobicContact CD1-CG2 4.33Å; F495-I499 HydrophobicContact CG-CG2 4.42Å; F495-L503 HydrophobicContact CB-CD1 4.34Å; F495-L503 HydrophobicContact CD1-CD1 3.82Å; F495-L503 HydrophobicContact CD2-CD1 3.96Å; F495-L503 HydrophobicContact CE1-CD1 4.08Å; F495-L503 HydrophobicContact CE2-CD1 4.24Å; F495-L503 HydrophobicContact CG-CD1 3.77Å; F495-L503 HydrophobicContact CZ-CD1 4.3Å
496	G	93.4	Very high	94.4	Very high	37 Å²	37	64.4 Å²	64.4	38%	0.381	33%	0.327	S	S	.	.			trans	82.8	143.5	-172.2	0	0	0	0	0	111.7	V492 K498 I499 G500	V492-G496 CarbonylContact O-C 3.43Å; V492-G496 WeakPolarHBondContact O-CA 3.35Å; V492-G496 PolarHBondContact O-N 3.14Å; G496-K498 PolarHBondContact O-N 3.49Å; G496-I499 PolarHBondContact O-N 2.89Å; G496-G500 PolarHBondContact O-N 3.41Å
497	K	94.3	Very high	94.5	Very high	140 Å²	140	62.4 Å²	62.4	61%	0.609	32%	0.317	S	S	*	.	H	α-helix	trans	-32.2	-69.3	-168.9	-176.6	170.7	-178	179.9	0	114.6	V492 I499 G500 E501	V492-K497 HydrophobicContact CG1-CB 4.33Å; K497-I499 VanDerWaalsContact C-N 3.31Å; K497-I499 PolarHBondContact O-N 2.85Å; K497-G500 PolarHBondContact O-N 3.06Å; K497-G500 VanDerWaalsContact O-N 3.15Å; K497-E501 WeakPolarHBondContact CE-OE1 3.5Å; K497-E501 VanDerWaalsContact CG-CD 3.45Å; K497-E501 HydrophobicContact CG-CG 4.39Å; K497-E501 WeakPolarHBondContact CG-OE1 3.36Å; K497-E501 WeakPolarHBondContact CG-OE2 3.47Å; K497-E501 IonicContact NZ-OE1 3.45Å; K497-E501 WeakPolarHBondContact O-CB 3.28Å; K497-E501 VanDerWaalsContact O-CG 3.31Å; K497-E501 WeakPolarHBondContact O-CG 3.28Å; K497-E501 PolarHBondContact O-N 3.12Å
498	K	93.3	Very high	94.7	Very high	169 Å²	169	62.1 Å²	62.1	74%	0.735	31%	0.31	S	S	*	.	H	α-helix	trans	-56.2	-38.7	-175.6	-176.9	174.1	-178.1	174.4	0	114.1	G496 T502	G496-K498 PolarHBondContact O-N 3.49Å; K498-T502 VanDerWaalsContact O-CB 3.28Å; K498-T502 WeakPolarHBondContact O-CB 3.25Å; K498-T502 PolarHBondContact O-N 3.17Å; K498-T502 VanDerWaalsContact O-N 3.14Å; K498-T502 PolarHBondContact O-OG1 2.84Å
499	I	93.5	Very high	94.7	Very high	82 Å²	82	59.5 Å²	59.5	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-78.7	-40.3	-179	-57	179.3	0	0	0	109.9	F495 G496 K497 T502 L503	F495-I499 HydrophobicContact CB-CB 3.99Å; F495-I499 HydrophobicContact CB-CG2 3.82Å; F495-I499 HydrophobicContact CD1-CG2 4.33Å; F495-I499 HydrophobicContact CG-CG2 4.42Å; G496-I499 PolarHBondContact O-N 2.89Å; K497-I499 VanDerWaalsContact C-N 3.31Å; K497-I499 PolarHBondContact O-N 2.85Å; I499-T502 PolarHBondContact O-N 3.32Å; I499-L503 HydrophobicContact CG2-CD1 4Å; I499-L503 HydrophobicContact CG2-CG 4.33Å; I499-L503 WeakPolarHBondContact O-CB 3.3Å; I499-L503 VanDerWaalsContact O-CG 3.3Å; I499-L503 WeakPolarHBondContact O-CG 3.23Å; I499-L503 PolarHBondContact O-N 3.37Å
500	G	94.8	Very high	94.7	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-48.6	175.1	0	0	0	0	0	112.6	G496 K497 T502 L503 Y504	G496-G500 PolarHBondContact O-N 3.41Å; K497-G500 PolarHBondContact O-N 3.06Å; K497-G500 VanDerWaalsContact O-N 3.15Å; G500-T502 PolarHBondContact O-N 2.84Å; G500-L503 PolarHBondContact O-N 3.5Å; G500-Y504 WeakPolarHBondContact O-CB 3.45Å; G500-Y504 PolarHBondContact O-N 2.99Å
501	E	95.4	Very high	94.6	Very high	74 Å²	74	59.9 Å²	59.9	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-46.3	174.1	-68.8	165.9	153.6	0	0	111.9	L488 V492 K497 L503 Y504 A505	L488-E501 HydrophobicContact CD1-CB 4.46Å; L488-E501 HydrophobicContact CD1-CG 3.99Å; V492-E501 HydrophobicContact CG2-CG 4.38Å; K497-E501 WeakPolarHBondContact CE-OE1 3.5Å; K497-E501 VanDerWaalsContact CG-CD 3.45Å; K497-E501 HydrophobicContact CG-CG 4.39Å; K497-E501 WeakPolarHBondContact CG-OE1 3.36Å; K497-E501 WeakPolarHBondContact CG-OE2 3.47Å; K497-E501 IonicContact NZ-OE1 3.45Å; K497-E501 WeakPolarHBondContact O-CB 3.28Å; K497-E501 VanDerWaalsContact O-CG 3.31Å; K497-E501 WeakPolarHBondContact O-CG 3.28Å; K497-E501 PolarHBondContact O-N 3.12Å; E501-L503 VanDerWaalsContact C-N 3.35Å; E501-L503 PolarHBondContact O-N 3Å; E501-Y504 PolarHBondContact O-N 3.3Å; E501-A505 WeakPolarHBondContact O-CB 3.42Å; E501-A505 PolarHBondContact O-N 2.93Å
502	T	94.5	Very high	94.3	Very high	58 Å²	58	65.4 Å²	65.4	36%	0.356	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-40.3	178	-60.8	0	0	0	0	111.9	K498 I499 G500 K506	K498-T502 VanDerWaalsContact O-CB 3.28Å; K498-T502 WeakPolarHBondContact O-CB 3.25Å; K498-T502 PolarHBondContact O-N 3.17Å; K498-T502 VanDerWaalsContact O-N 3.14Å; K498-T502 PolarHBondContact O-OG1 2.84Å; I499-T502 PolarHBondContact O-N 3.32Å; G500-T502 PolarHBondContact O-N 2.84Å; T502-K506 HydrophobicContact CG2-CD 3.84Å; T502-K506 HydrophobicContact CG2-CG 4.44Å; T502-K506 VanDerWaalsContact O-CB 3.24Å; T502-K506 WeakPolarHBondContact O-CB 3.3Å; T502-K506 VanDerWaalsContact O-CG 3.22Å; T502-K506 WeakPolarHBondContact O-CG 3.36Å; T502-K506 PolarHBondContact O-N 3.22Å
503	L	95.5	Very high	93.9	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-46.6	176.2	-76	170.3	0	0	0	111.4	V464 T468 L472 L483 L491 F495 I499 G500 E501 A505 K506 A507	V464-L503 HydrophobicContact CG2-CD2 3.73Å; T468-L503 HydrophobicContact CG2-CD1 4.29Å; L472-L503 HydrophobicContact CD1-CD2 4.32Å; L483-L503 HydrophobicContact CD2-CB 4.26Å; L483-L503 HydrophobicContact CD2-CD2 4.07Å; L491-L503 HydrophobicContact CD1-CB 4.4Å; F495-L503 HydrophobicContact CB-CD1 4.34Å; F495-L503 HydrophobicContact CD1-CD1 3.82Å; F495-L503 HydrophobicContact CD2-CD1 3.96Å; F495-L503 HydrophobicContact CE1-CD1 4.08Å; F495-L503 HydrophobicContact CE2-CD1 4.24Å; F495-L503 HydrophobicContact CG-CD1 3.77Å; F495-L503 HydrophobicContact CZ-CD1 4.3Å; I499-L503 HydrophobicContact CG2-CD1 4Å; I499-L503 HydrophobicContact CG2-CG 4.33Å; I499-L503 WeakPolarHBondContact O-CB 3.3Å; I499-L503 VanDerWaalsContact O-CG 3.3Å; I499-L503 WeakPolarHBondContact O-CG 3.23Å; I499-L503 PolarHBondContact O-N 3.37Å; G500-L503 PolarHBondContact O-N 3.5Å; E501-L503 VanDerWaalsContact C-N 3.35Å; E501-L503 PolarHBondContact O-N 3Å; L503-A505 PolarHBondContact O-N 3.39Å; L503-K506 PolarHBondContact O-N 3.24Å; L503-A507 VanDerWaalsContact O-CB 3.31Å; L503-A507 WeakPolarHBondContact O-CB 3.49Å; L503-A507 PolarHBondContact O-N 3.12Å
504	Y	96.1	Very high	93.5	Very high	76 Å²	76	62.7 Å²	62.7	30%	0.298	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-43.3	-178.5	-175.5	-92.9	0	0	0	112.5	L488 L491 G500 E501 R508	L488-Y504 HydrophobicContact CB-CD1 4.42Å; L488-Y504 HydrophobicContact CB-CD2 3.84Å; L488-Y504 HydrophobicContact CB-CE2 3.96Å; L488-Y504 HydrophobicContact CB-CG 4.09Å; L488-Y504 HydrophobicContact CD1-CD1 4.34Å; L488-Y504 HydrophobicContact CD1-CD2 4.4Å; L488-Y504 HydrophobicContact CD1-CG 3.92Å; L491-Y504 HydrophobicContact CD1-CD2 4.14Å; G500-Y504 WeakPolarHBondContact O-CB 3.45Å; G500-Y504 PolarHBondContact O-N 2.99Å; E501-Y504 PolarHBondContact O-N 3.3Å; Y504-R508 VanDerWaalsContact CD2-NH1 3.28Å; Y504-R508 VanDerWaalsContact CE2-NH1 3.27Å; Y504-R508 VanDerWaalsContact CE2-NH2 3.32Å; Y504-R508 PolarHBondContact O-NH1 3.28Å; Y504-R508 VanDerWaalsContact O-NH1 3.1Å; Y504-R508 PolarHBondContact OH-NH2 3.37Å
505	A	96.1	Very high	93.1	Very high	30 Å²	30	57 Å²	57	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-69.3	-49.6	175.8	0	0	0	0	0	111.9	E501 L503 A507 R508 G509 I510	E501-A505 WeakPolarHBondContact O-CB 3.42Å; E501-A505 PolarHBondContact O-N 2.93Å; L503-A505 PolarHBondContact O-N 3.39Å; A505-A507 VanDerWaalsContact C-N 3.32Å; A505-A507 PolarHBondContact O-N 2.95Å; A505-R508 CarbonylContact O-C 3.55Å; A505-R508 PolarHBondContact O-N 3.14Å; A505-G509 PolarHBondContact O-N 3.37Å; A505-I510 CarbonylContact C-O 3.55Å; A505-I510 HydrophobicContact CB-CB 4.21Å; A505-I510 HydrophobicContact CB-CG2 4.49Å; A505-I510 WeakPolarHBondContact O-CB 3.42Å; A505-I510 PolarHBondContact O-N 2.94Å
506	K	96	Very high	92	Very high	39 Å²	39	61.2 Å²	61.2	17%	0.17	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-34.2	-178.1	-74.9	-178	171.9	167.4	0	113.3	L427 M453 L461 P462 T502 L503 R508 G509	L427-K506 HydrophobicContact CD1-CB 4.4Å; L427-K506 HydrophobicContact CD1-CD 4.17Å; L427-K506 HydrophobicContact CD1-CG 4.1Å; L427-K506 HydrophobicContact CD2-CB 3.99Å; L427-K506 HydrophobicContact CD2-CG 3.9Å; M453-K506 WeakPolarHBondContact CE-O 3.48Å; L461-K506 HydrophobicContact CD1-CB 4.4Å; L461-K506 HydrophobicContact CD2-CB 4.27Å; P462-K506 PolarHBondContact O-NZ 2.76Å; T502-K506 HydrophobicContact CG2-CD 3.84Å; T502-K506 HydrophobicContact CG2-CG 4.44Å; T502-K506 VanDerWaalsContact O-CB 3.24Å; T502-K506 WeakPolarHBondContact O-CB 3.3Å; T502-K506 VanDerWaalsContact O-CG 3.22Å; T502-K506 WeakPolarHBondContact O-CG 3.36Å; T502-K506 PolarHBondContact O-N 3.22Å; L503-K506 PolarHBondContact O-N 3.24Å; K506-R508 PolarHBondContact O-N 3.32Å; K506-G509 PolarHBondContact O-N 2.99Å
507	A	95.7	Very high	90.5	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-29.7	174.6	0	0	0	0	0	112.8	C480 L483 V484 L503 A505	C480-A507 HydrophobicContact CB-CB 4.46Å; L483-A507 HydrophobicContact CB-CB 3.94Å; L483-A507 HydrophobicContact CD2-CB 3.82Å; L483-A507 HydrophobicContact CG-CB 3.69Å; V484-A507 HydrophobicContact CG2-CB 3.91Å; V484-A507 WeakPolarHBondContact CG2-O 3.27Å; L503-A507 VanDerWaalsContact O-CB 3.31Å; L503-A507 WeakPolarHBondContact O-CB 3.49Å; L503-A507 PolarHBondContact O-N 3.12Å; A505-A507 VanDerWaalsContact C-N 3.32Å; A505-A507 PolarHBondContact O-N 2.95Å
508	R	96.1	Very high	89	Confident	72 Å²	72	64 Å²	64	27%	0.272	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	9.6	178.9	-65	167.9	171.8	66.3	6.7	113	V484 Y504 A505 K506 I510	V484-R508 HydrophobicContact CG2-CG 3.95Å; V484-R508 PolarHBondContact O-NH2 2.98Å; Y504-R508 VanDerWaalsContact CD2-NH1 3.28Å; Y504-R508 VanDerWaalsContact CE2-NH1 3.27Å; Y504-R508 VanDerWaalsContact CE2-NH2 3.32Å; Y504-R508 PolarHBondContact O-NH1 3.28Å; Y504-R508 VanDerWaalsContact O-NH1 3.1Å; Y504-R508 PolarHBondContact OH-NH2 3.37Å; A505-R508 CarbonylContact O-C 3.55Å; A505-R508 PolarHBondContact O-N 3.14Å; K506-R508 PolarHBondContact O-N 3.32Å; R508-I510 VanDerWaalsContact C-N 3.25Å; R508-I510 HydrophobicContact CB-CD1 4.06Å; R508-I510 HydrophobicContact CB-CG1 4.17Å; R508-I510 PolarHBondContact O-N 2.99Å
509	G	95.8	Very high	87.6	Confident	3 Å²	3	59.2 Å²	59.2	3%	0.031	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	12	-178	0	0	0	0	0	114.8	N425 A505 K506	N425-G509 PolarHBondContact ND2-O 3.11Å; A505-G509 PolarHBondContact O-N 3.37Å; K506-G509 PolarHBondContact O-N 2.99Å
510	I	94.7	Very high	86.6	Confident	96 Å²	96	60.5 Å²	60.5	49%	0.492	34%	0.338	S	S	.	.			trans	-89.1	120.8	-176.2	-56.7	171.4	0	0	0	109.8	A505 R508	A505-I510 CarbonylContact C-O 3.55Å; A505-I510 HydrophobicContact CB-CB 4.21Å; A505-I510 HydrophobicContact CB-CG2 4.49Å; A505-I510 WeakPolarHBondContact O-CB 3.42Å; A505-I510 PolarHBondContact O-N 2.94Å; R508-I510 VanDerWaalsContact C-N 3.25Å; R508-I510 HydrophobicContact CB-CD1 4.06Å; R508-I510 HydrophobicContact CB-CG1 4.17Å; R508-I510 PolarHBondContact O-N 2.99Å
511	D	92.7	Very high	85.9	Confident	43 Å²	43	63.9 Å²	63.9	23%	0.23	35%	0.353	C	S	.	.			trans	-141.4	118.4	166.4	-171.5	-2.3	0	0	0	108.7	N425 L427 A513	N425-D511 HydrophobicContact CB-CB 4.41Å; N425-D511 WeakPolarHBondContact CB-O 3.37Å; L427-D511 HydrophobicContact CB-CB 3.6Å; L427-D511 HydrophobicContact CD2-CB 4.41Å; D511-A513 VanDerWaalsContact OD1-CB 3.31Å; D511-A513 WeakPolarHBondContact OD1-CB 3.39Å; D511-A513 PolarHBondContact OD1-N 3.01Å
512	S	86.7	Confident	85.5	Confident	116 Å²	116	68.2 Å²	68.2	81%	0.811	37%	0.371	S	S	*	.			trans	-97.4	2.8	179.9	56.7	0	0	0	0	113.2	P514	S512-P514 WeakPolarHBondContact O-CD 3.35Å
513	A	86.9	Confident	85.4	Confident	37 Å²	37	69 Å²	69	31%	0.306	38%	0.379	S	S	.	.			trans	-69.6	117.9	176.3	0	0	0	0	0	110.3	K426 D511	K426-A513 WeakPolarHBondContact CE-O 3.4Å; D511-A513 VanDerWaalsContact OD1-CB 3.31Å; D511-A513 WeakPolarHBondContact OD1-CB 3.39Å; D511-A513 PolarHBondContact OD1-N 3.01Å
514	P	85.8	Confident	85.3	Confident	92 Å²	92	69.1 Å²	69.1	60%	0.597	38%	0.379	S	S	*	.			trans	-63.9	165.5	174.3	29.4	-36	0	0	0	110.7	K426 S512 Q516	K426-P514 WeakPolarHBondContact CE-O 3.49Å; K426-P514 PolarHBondContact NZ-O 2.99Å; S512-P514 WeakPolarHBondContact O-CD 3.35Å; P514-Q516 PolarHBondContact O-N 3.07Å
515	V	83.5	Confident	85.1	Confident	10 Å²	10	68.4 Å²	68.4	6%	0.061	39%	0.385	C	S	.	.			trans	-54.9	109	161.4	176.9	0	0	0	0	106.5	I273 E377 N387 K426 M517	I273-V515 HydrophobicContact CD1-CG2 3.77Å; E377-V515 HydrophobicContact CB-CG1 3.58Å; E377-V515 VanDerWaalsContact OE2-CA 3.31Å; E377-V515 WeakPolarHBondContact OE2-CA 3.05Å; N387-V515 HydrophobicContact CB-CG2 4.03Å; K426-V515 HydrophobicContact CD-CG2 4.28Å; V515-M517 PolarHBondContact O-N 2.95Å; V515-M517 VanDerWaalsContact O-N 3.1Å
516	Q	72.1	Confident	85	Confident	105 Å²	105	67 Å²	67	49%	0.491	37%	0.374	S	S	.	.			trans	-76.1	109.4	-164.4	-78.7	-156.3	-31.8	0	0	109.9	E377 P514	E377-Q516 HydrophobicContact CG-CB 4.4Å; E377-Q516 PolarHBondContact OE2-N 3.17Å; P514-Q516 PolarHBondContact O-N 3.07Å
517	M	61.4	Low	85	Confident	77 Å²	77	67.9 Å²	67.9	38%	0.379	38%	0.38	S	S	.	.			trans	-68	-49.8	-179	-63.1	-54.7	-146.1	0	0	111.6	L230 R233 D375 V515	L230-M517 WeakPolarHBondContact CD2-O 3.33Å; R233-M517 PolarHBondContact NH1-O 2.65Å; R233-M517 PolarHBondContact NH2-SD 2.91Å; D375-M517 HydrophobicContact CB-CE 4.26Å; D375-M517 VanDerWaalsContact CG-CE 3.47Å; D375-M517 WeakPolarHBondContact OD1-CE 3.43Å; V515-M517 PolarHBondContact O-N 2.95Å; V515-M517 VanDerWaalsContact O-N 3.1Å
518	E	62.8	Low	85	Confident	157 Å²	157	67.8 Å²	67.8	73%	0.734	38%	0.38	S	S	*	.			trans	-127.7	108.1	-166.8	-64.5	-177.7	-176.1	0	0	112.7	L230	L230-E518 HydrophobicContact CD2-CG 4.1Å
519	A	64	Low	85	Confident	69 Å²	69	66.1 Å²	66.1	57%	0.57	38%	0.376	S	S	*	.			trans	-107.6	82.6	177.3	0	0	0	0	0	110.6	K521	A519-K521 PolarHBondContact O-N 2.74Å
520	T	72.1	Confident	84.9	Confident	109 Å²	109	70.1 Å²	70.1	67%	0.669	39%	0.391	S	S	*	.			trans	-59.9	132	176.4	50.5	0	0	0	0	111.5	K522	T520-K522 WeakPolarHBondContact O-CG 3.47Å; T520-K522 PolarHBondContact O-N 3.36Å
521	K	79.9	Confident	84.8	Confident	72 Å²	72	65.7 Å²	65.7	31%	0.313	37%	0.369	S	S	.	.			trans	-74.9	113.7	-173.5	-172.5	168.7	-177.4	167.7	0	111.3	A519 S523 L636	A519-K521 PolarHBondContact O-N 2.74Å; K521-S523 WeakPolarHBondContact CE-O 3.5Å; K521-S523 WeakPolarHBondContact CG-O 3.4Å; K521-L636 HydrophobicContact CG-CD1 4.15Å
522	K	87	Confident	84.9	Confident	165 Å²	165	63.7 Å²	63.7	72%	0.717	36%	0.358	S	S	*	.			trans	-90.5	-19.4	-172.9	-51.9	-169.9	-179.7	-178	0	114.2	T520	T520-K522 WeakPolarHBondContact O-CG 3.47Å; T520-K522 PolarHBondContact O-N 3.36Å
523	S	92.4	Very high	85.3	Confident	75 Å²	75	61.1 Å²	61.1	52%	0.524	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	159.5	-178.8	51.7	0	0	0	0	112	K521 Y633	K521-S523 WeakPolarHBondContact CE-O 3.5Å; K521-S523 WeakPolarHBondContact CG-O 3.4Å; S523-Y633 CarbonylContact C-O 3.56Å; S523-Y633 WeakPolarHBondContact CA-O 3.39Å; S523-Y633 VanDerWaalsContact CB-O 3.24Å; S523-Y633 WeakPolarHBondContact CB-O 3.4Å
524	L	92.4	Very high	85.7	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.037	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.7	176.9	-175.6	155.4	0	0	0	107.9	V551 R554 M555 V560 Y633 L636	L524-V551 HydrophobicContact CD2-CG1 3.6Å; L524-R554 HydrophobicContact CD1-CB 4.16Å; L524-R554 HydrophobicContact CD2-CB 4.21Å; L524-M555 HydrophobicContact CD1-CG 3.88Å; L524-M555 HydrophobicContact CD2-CG 4.22Å; L524-V560 HydrophobicContact CD1-CG2 4.33Å; L524-Y633 PolarHBondContact N-O 3.11Å; L524-Y633 WeakPolarHBondContact O-CB 3.3Å; L524-Y633 PolarHBondContact O-N 3.3Å; L524-L636 HydrophobicContact CB-CD1 4.25Å
525	S	93.2	Very high	86	Confident	61 Å²	61	61 Å²	61	43%	0.427	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.9	175.2	77.6	0	0	0	0	113.3	D527 E631	S525-D527 PolarHBondContact OG-OD2 3.01Å; S525-E631 CarbonylContact C-O 3.56Å; S525-E631 WeakPolarHBondContact CA-O 3.13Å; S525-E631 WeakPolarHBondContact CB-O 3.43Å
526	C	93.7	Very high	86.5	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.007	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.9	167.4	-70.4	0	0	0	0	108.2	V551 R554 G630 E631	C526-V551 HydrophobicContact CB-CG2 3.68Å; C526-V551 WeakPolarHBondContact SG-CG2 3.4Å; C526-R554 VanDerWaalsContact SG-CD 3.56Å; C526-R554 PolarHBondContact SG-NH1 3.44Å; C526-G630 CarbonylContact O-C 3.54Å; C526-G630 VanDerWaalsContact O-CA 3.26Å; C526-G630 WeakPolarHBondContact O-CA 3.45Å; C526-E631 PolarHBondContact N-O 3.31Å; C526-E631 PolarHBondContact O-N 3.01Å
527	D	95.1	Very high	87.7	Confident	57 Å²	57	63 Å²	63	31%	0.305	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.6	178.9	-76.7	-109.8	0	0	0	109.9	S525 K568	S525-D527 PolarHBondContact OG-OD2 3.01Å; D527-K568 IonicContact OD1-NZ 3.14Å; D527-K568 PolarHBondContact OD1-NZ 3.03Å
528	V	96.4	Very high	89.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	101.8	176.5	-175.1	0	0	0	0	109.3	F205 L206 F209 Y210 V532 F543 L547 G628 V629	F205-V528 HydrophobicContact CE1-CG1 4.06Å; L206-V528 HydrophobicContact CD2-CG2 3.99Å; F209-V528 HydrophobicContact CD1-CB 4.42Å; F209-V528 HydrophobicContact CD1-CG1 3.87Å; F209-V528 HydrophobicContact CD1-CG2 3.89Å; F209-V528 HydrophobicContact CD2-CG1 4.48Å; F209-V528 HydrophobicContact CE1-CB 4.14Å; F209-V528 HydrophobicContact CE1-CG1 3.89Å; F209-V528 HydrophobicContact CE1-CG2 3.76Å; F209-V528 HydrophobicContact CG-CG1 4.17Å; F209-V528 HydrophobicContact CZ-CG1 4.23Å; Y210-V528 HydrophobicContact CE1-CG2 4.48Å; Y210-V528 WeakPolarHBondContact OH-CG2 3.5Å; V528-V532 HydrophobicContact CG1-CG2 4.06Å; V528-V532 WeakPolarHBondContact O-CG2 3.21Å; V528-F543 HydrophobicContact CB-CZ 4.41Å; V528-F543 HydrophobicContact CG1-CZ 4.21Å; V528-L547 HydrophobicContact CG2-CD2 3.73Å; V528-G628 CarbonylContact O-C 3.26Å; V528-G628 VanDerWaalsContact O-CA 3.25Å; V528-G628 WeakPolarHBondContact O-CA 3.5Å; V528-V629 PolarHBondContact N-O 2.89Å; V528-V629 PolarHBondContact O-N 3Å
529	N	95.7	Very high	90.8	Very high	37 Å²	37	59.1 Å²	59.1	20%	0.198	31%	0.306	C	S	.	.			trans	-120.2	26.9	-173.2	-56.3	-64	0	0	0	112.6	M570 H586 G628	N529-M570 HydrophobicContact CB-SD 3.95Å; N529-M570 PolarHBondContact OD1-SD 3.29Å; N529-M570 VanDerWaalsContact OD1-SD 3.41Å; N529-H586 PolarHBondContact O-CD2 3.48Å; N529-H586 VanDerWaalsContact O-CD2 3.31Å; N529-G628 VanDerWaalsContact OD1-CA 3.31Å; N529-G628 WeakPolarHBondContact OD1-CA 3.19Å
530	Y	93.9	Very high	92.3	Very high	86 Å²	86	55.9 Å²	55.9	34%	0.337	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-144.1	148.3	178.5	-176.9	-91.4	0	0	0	108.3	V532 F583 L584	Y530-V532 PolarHBondContact O-N 3.4Å; Y530-F583 WeakPolarHBondContact CE2-O 3.28Å; Y530-F583 PolarHBondContact OH-O 3.44Å; Y530-L584 HydrophobicContact CE1-CB 4.06Å; Y530-L584 HydrophobicContact CE2-CB 4.12Å
531	G	93	Very high	93.4	Very high	4 Å²	4	51.5 Å²	51.5	4%	0.041	25%	0.253	C	S	.	.	S	Bend	trans	75.2	-24.9	-177.7	0	0	0	0	0	115.4	R533 L584	G531-R533 PolarHBondContact O-N 2.94Å; G531-R533 VanDerWaalsContact O-N 3.1Å; G531-L584 PolarHBondContact N-O 3.46Å
532	V	95.3	Very high	94.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.257	C	S	.	.			trans	-58.5	111.8	-174.5	-174.6	0	0	0	0	112.2	T200 V528 Y530 L534 F543 I626 V629	T200-V532 HydrophobicContact CG2-CB 4.41Å; T200-V532 HydrophobicContact CG2-CG1 4.37Å; V528-V532 HydrophobicContact CG1-CG2 4.06Å; V528-V532 WeakPolarHBondContact O-CG2 3.21Å; Y530-V532 PolarHBondContact O-N 3.4Å; V532-L534 HydrophobicContact CG1-CD1 4.02Å; V532-L534 HydrophobicContact CG1-CG 4.07Å; V532-F543 HydrophobicContact CG1-CE1 4.32Å; V532-F543 HydrophobicContact CG2-CE1 4.02Å; V532-F543 HydrophobicContact CG2-CZ 4.02Å; V532-I626 HydrophobicContact CG1-CG2 3.97Å; V532-V629 HydrophobicContact CG1-CG2 4.42Å
533	R	94.2	Very high	94.4	Very high	63 Å²	63	44.5 Å²	44.5	24%	0.238	22%	0.224	C	C	.	.			trans	-148.1	63.1	-176.7	-68	-59.7	-175.7	-78.4	1.5	111.4	G531 T580 L584 G585	G531-R533 PolarHBondContact O-N 2.94Å; G531-R533 VanDerWaalsContact O-N 3.1Å; R533-T580 PolarHBondContact NH2-OG1 2.95Å; R533-T580 VanDerWaalsContact NH2-OG1 3.1Å; R533-L584 HydrophobicContact CG-CD2 4.25Å; R533-G585 PolarHBondContact NH1-O 3.34Å; R533-G585 PolarHBondContact NH2-O 2.97Å
534	L	94.6	Very high	94.6	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	20%	0.199	C	C	.	.			trans	-72.2	138.5	-175.5	-55.8	165.4	0	0	0	111.4	T200 V532 E539 T540 F543 P623 T624 I626	T200-L534 HydrophobicContact CG2-CD2 3.93Å; V532-L534 HydrophobicContact CG1-CD1 4.02Å; V532-L534 HydrophobicContact CG1-CG 4.07Å; L534-E539 HydrophobicContact CD2-CB 4.46Å; L534-E539 HydrophobicContact CD2-CG 3.79Å; L534-T540 HydrophobicContact CD1-CG2 4.05Å; L534-F543 HydrophobicContact CD1-CD1 4.27Å; L534-F543 HydrophobicContact CD2-CB 3.72Å; L534-F543 HydrophobicContact CD2-CD1 4.22Å; L534-F543 HydrophobicContact CD2-CG 3.96Å; L534-P623 CarbonylContact O-C 3.6Å; L534-T624 WeakPolarHBondContact O-CA 3.38Å; L534-T624 PolarHBondContact O-N 3.25Å; L534-I626 HydrophobicContact CD1-CB 4.11Å; L534-I626 HydrophobicContact CD1-CD1 3.96Å; L534-I626 HydrophobicContact CD1-CG2 4Å
535	K	93	Very high	94.7	Very high	122 Å²	122	44.4 Å²	44.4	53%	0.53	21%	0.214	S	C	.	.			trans	-88.4	-44	-177.1	-61.2	170.7	-147.5	82.1	0	112.8	E539 T624	K535-E539 WeakPolarHBondContact CB-OE2 3.5Å; K535-E539 VanDerWaalsContact CG-OE2 3.25Å; K535-E539 WeakPolarHBondContact CG-OE2 3.48Å; K535-E539 PolarHBondContact N-OE2 2.87Å; K535-E539 VanDerWaalsContact NZ-CD 3.28Å; K535-E539 IonicContact NZ-OE1 3.89Å; K535-E539 PolarHBondContact NZ-OE1 3.47Å; K535-E539 IonicContact NZ-OE2 2.67Å; K535-E539 PolarHBondContact NZ-OE2 2.9Å; K535-T624 VanDerWaalsContact O-CG2 3.27Å; K535-T624 WeakPolarHBondContact O-CG2 3.22Å
536	D	95	Very high	94.7	Very high	70 Å²	70	43.8 Å²	43.8	37%	0.374	20%	0.203	S	C	.	.	S	Bend	trans	-147.4	-178.6	-165.8	55.3	60.8	0	0	0	111.6	D538 E539 T540 P623	D536-D538 PolarHBondContact OD1-N 2.9Å; D536-D538 VanDerWaalsContact OD1-N 3.09Å; D536-E539 PolarHBondContact OD1-N 3.48Å; D536-T540 WeakPolarHBondContact O-CB 3.36Å; D536-T540 PolarHBondContact O-N 2.83Å; D536-T540 VanDerWaalsContact O-N 3.16Å; D536-T540 PolarHBondContact O-OG1 2.65Å; D536-P623 VanDerWaalsContact C-CG 3.47Å; D536-P623 WeakPolarHBondContact O-CB 3.16Å
537	W	96.1	Very high	94.7	Very high	88 Å²	88	43.8 Å²	43.8	33%	0.333	20%	0.203	S	C	.	.	H	α-helix	trans	-71.8	-28.8	-175.4	-111.8	96.9	0	0	0	113.4	T540 V541 L616 R617 P623	W537-T540 PolarHBondContact O-N 3.35Å; W537-V541 HydrophobicContact CE3-CG2 3.66Å; W537-V541 HydrophobicContact CZ3-CG2 3.73Å; W537-V541 WeakPolarHBondContact O-CB 3.43Å; W537-V541 WeakPolarHBondContact O-CG2 3.32Å; W537-V541 PolarHBondContact O-N 2.86Å; W537-L616 HydrophobicContact CE3-CD2 4.43Å; W537-L616 HydrophobicContact CH2-CD2 3.95Å; W537-L616 HydrophobicContact CH2-CG 3.7Å; W537-L616 HydrophobicContact CZ3-CD2 3.57Å; W537-L616 HydrophobicContact CZ3-CG 3.88Å; W537-R617 HydrophobicContact CH2-CB 4.44Å; W537-R617 HydrophobicContact CH2-CG 3.89Å; W537-R617 HydrophobicContact CZ3-CG 3.92Å; W537-P623 HydrophobicContact CG-CG 4.33Å
538	D	94.8	Very high	94.7	Very high	132 Å²	132	41 Å²	41	71%	0.706	19%	0.189	S	C	*	.	H	α-helix	trans	-78.3	-43.7	-179	-65	-43.5	0	0	0	110.5	D536 T540 V541 E542	D536-D538 PolarHBondContact OD1-N 2.9Å; D536-D538 VanDerWaalsContact OD1-N 3.09Å; D538-T540 PolarHBondContact O-N 3.5Å; D538-V541 PolarHBondContact O-N 3.37Å; D538-E542 VanDerWaalsContact O-CB 3.31Å; D538-E542 WeakPolarHBondContact O-CB 3.02Å; D538-E542 PolarHBondContact O-N 2.83Å
539	E	94	Very high	94.6	Very high	19 Å²	19	45 Å²	45	9%	0.089	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-36.6	169.8	-165.3	-174.7	175.7	0	0	111.1	T200 S201 L534 K535 D536 F543	T200-E539 WeakPolarHBondContact CB-OE1 3.24Å; T200-E539 PolarHBondContact OG1-OE1 2.63Å; S201-E539 PolarHBondContact N-OE1 3.3Å; S201-E539 VanDerWaalsContact N-OE1 3.13Å; L534-E539 HydrophobicContact CD2-CB 4.46Å; L534-E539 HydrophobicContact CD2-CG 3.79Å; K535-E539 WeakPolarHBondContact CB-OE2 3.5Å; K535-E539 VanDerWaalsContact CG-OE2 3.25Å; K535-E539 WeakPolarHBondContact CG-OE2 3.48Å; K535-E539 PolarHBondContact N-OE2 2.87Å; K535-E539 VanDerWaalsContact NZ-CD 3.28Å; K535-E539 IonicContact NZ-OE1 3.89Å; K535-E539 PolarHBondContact NZ-OE1 3.47Å; K535-E539 IonicContact NZ-OE2 2.67Å; K535-E539 PolarHBondContact NZ-OE2 2.9Å; D536-E539 PolarHBondContact OD1-N 3.48Å; E539-F543 VanDerWaalsContact O-CB 3.23Å; E539-F543 WeakPolarHBondContact O-CB 3.1Å; E539-F543 PolarHBondContact O-N 3.07Å
540	T	95.4	Very high	94.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-46	177.6	-57.3	0	0	0	0	112.4	L534 D536 W537 D538 V544 L616 P623 I626	L534-T540 HydrophobicContact CD1-CG2 4.05Å; D536-T540 WeakPolarHBondContact O-CB 3.36Å; D536-T540 PolarHBondContact O-N 2.83Å; D536-T540 VanDerWaalsContact O-N 3.16Å; D536-T540 PolarHBondContact O-OG1 2.65Å; W537-T540 PolarHBondContact O-N 3.35Å; D538-T540 PolarHBondContact O-N 3.5Å; T540-V544 WeakPolarHBondContact O-CG2 3.36Å; T540-V544 PolarHBondContact O-N 2.94Å; T540-V544 VanDerWaalsContact O-N 3.1Å; T540-L616 HydrophobicContact CG2-CD1 3.98Å; T540-L616 HydrophobicContact CG2-CD2 3.93Å; T540-L616 HydrophobicContact CG2-CG 4.49Å; T540-P623 WeakPolarHBondContact OG1-CB 3.35Å; T540-I626 HydrophobicContact CG2-CD1 3.53Å
541	V	95.9	Very high	94.4	Very high	18 Å²	18	40.3 Å²	40.3	11%	0.109	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-41.3	176.8	162.7	0	0	0	0	110.8	W537 D538 V544 K545 V613 L616	W537-V541 HydrophobicContact CE3-CG2 3.66Å; W537-V541 HydrophobicContact CZ3-CG2 3.73Å; W537-V541 WeakPolarHBondContact O-CB 3.43Å; W537-V541 WeakPolarHBondContact O-CG2 3.32Å; W537-V541 PolarHBondContact O-N 2.86Å; D538-V541 PolarHBondContact O-N 3.37Å; V541-V544 PolarHBondContact O-N 2.9Å; V541-K545 WeakPolarHBondContact O-CG 3.43Å; V541-K545 PolarHBondContact O-N 3.43Å; V541-V613 HydrophobicContact CG1-CG2 4.15Å; V541-V613 HydrophobicContact CG2-CG1 4.35Å; V541-L616 HydrophobicContact CG2-CD2 3.91Å
542	E	94.4	Very high	94.5	Very high	87 Å²	87	40.5 Å²	40.5	41%	0.407	19%	0.188	S	C	.	.	H	α-helix	trans	-68.1	-41.5	179.7	-163.8	58	-147.9	0	0	112.1	D538 V544 K545 K546	D538-E542 VanDerWaalsContact O-CB 3.31Å; D538-E542 WeakPolarHBondContact O-CB 3.02Å; D538-E542 PolarHBondContact O-N 2.83Å; E542-V544 VanDerWaalsContact C-N 3.31Å; E542-V544 PolarHBondContact O-N 2.66Å; E542-K545 PolarHBondContact O-N 2.95Å; E542-K545 WeakPolarHBondContact OE2-CD 3.33Å; E542-K545 WeakPolarHBondContact OE2-CE 3.15Å; E542-K545 IonicContact OE2-NZ 3.05Å; E542-K545 PolarHBondContact OE2-NZ 2.56Å; E542-K546 WeakPolarHBondContact O-CG 3.41Å; E542-K546 PolarHBondContact O-N 3.44Å
543	F	94.8	Very high	94.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-37.3	174.4	-174.3	-109.7	0	0	0	112.5	T200 F205 L206 V528 V532 L534 E539 K546 L547 V629	T200-F543 HydrophobicContact CG2-CD2 4.08Å; T200-F543 HydrophobicContact CG2-CE2 3.98Å; T200-F543 HydrophobicContact CG2-CZ 4.32Å; F205-F543 AromaticContact CD1-CE2 3.65Å; F205-F543 HydrophobicContact CD1-CE2 3.65Å; F205-F543 HydrophobicContact CD1-CZ 4.36Å; F205-F543 AromaticContact CE1-CE2 3.62Å; F205-F543 HydrophobicContact CE1-CE2 3.62Å; F205-F543 AromaticContact CE1-CZ 3.89Å; F205-F543 HydrophobicContact CE1-CZ 3.89Å; L206-F543 HydrophobicContact CD2-CE2 3.85Å; L206-F543 HydrophobicContact CD2-CZ 4.14Å; V528-F543 HydrophobicContact CB-CZ 4.41Å; V528-F543 HydrophobicContact CG1-CZ 4.21Å; V532-F543 HydrophobicContact CG1-CE1 4.32Å; V532-F543 HydrophobicContact CG2-CE1 4.02Å; V532-F543 HydrophobicContact CG2-CZ 4.02Å; L534-F543 HydrophobicContact CD1-CD1 4.27Å; L534-F543 HydrophobicContact CD2-CB 3.72Å; L534-F543 HydrophobicContact CD2-CD1 4.22Å; L534-F543 HydrophobicContact CD2-CG 3.96Å; E539-F543 VanDerWaalsContact O-CB 3.23Å; E539-F543 WeakPolarHBondContact O-CB 3.1Å; E539-F543 PolarHBondContact O-N 3.07Å; F543-K546 PolarHBondContact O-N 3.27Å; F543-L547 HydrophobicContact CD1-CD1 4.25Å; F543-L547 HydrophobicContact CE1-CD1 3.83Å; F543-L547 HydrophobicContact CZ-CD1 4.23Å; F543-L547 PolarHBondContact O-N 3.07Å; F543-V629 HydrophobicContact CD1-CB 4.45Å; F543-V629 HydrophobicContact CD1-CG2 3.98Å; F543-V629 HydrophobicContact CE1-CB 3.97Å; F543-V629 HydrophobicContact CE1-CG2 3.79Å
544	V	94.8	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-43.6	173	164.7	0	0	0	0	111.7	T540 V541 E542 K546 L547 S548 V612 V613 L616 V629 E631	T540-V544 WeakPolarHBondContact O-CG2 3.36Å; T540-V544 PolarHBondContact O-N 2.94Å; T540-V544 VanDerWaalsContact O-N 3.1Å; V541-V544 PolarHBondContact O-N 2.9Å; E542-V544 VanDerWaalsContact C-N 3.31Å; E542-V544 PolarHBondContact O-N 2.66Å; V544-K546 VanDerWaalsContact C-N 3.33Å; V544-K546 PolarHBondContact O-N 3.38Å; V544-L547 PolarHBondContact O-N 3.08Å; V544-L547 VanDerWaalsContact O-N 3.15Å; V544-S548 PolarHBondContact O-N 3.44Å; V544-S548 PolarHBondContact O-OG 2.93Å; V544-V612 HydrophobicContact CG1-CB 4.12Å; V544-V612 HydrophobicContact CG1-CG1 3.55Å; V544-V613 HydrophobicContact CG1-CG2 4.23Å; V544-L616 HydrophobicContact CG2-CD1 4.44Å; V544-L616 HydrophobicContact CG2-CD2 4.21Å; V544-V629 HydrophobicContact CG2-CG1 4.2Å; V544-E631 VanDerWaalsContact O-OE1 3.05Å
545	K	95	Very high	94.1	Very high	81 Å²	81	42.5 Å²	42.5	35%	0.352	20%	0.198	S	C	.	.	H	α-helix	trans	-57.4	-44.4	173.6	-68.6	175.9	-163	160.5	0	112.2	V541 E542 L547 S548 H549	V541-K545 WeakPolarHBondContact O-CG 3.43Å; V541-K545 PolarHBondContact O-N 3.43Å; E542-K545 PolarHBondContact O-N 2.95Å; E542-K545 WeakPolarHBondContact OE2-CD 3.33Å; E542-K545 WeakPolarHBondContact OE2-CE 3.15Å; E542-K545 IonicContact OE2-NZ 3.05Å; E542-K545 PolarHBondContact OE2-NZ 2.56Å; K545-L547 VanDerWaalsContact C-N 3.27Å; K545-L547 PolarHBondContact O-N 2.89Å; K545-S548 WeakPolarHBondContact O-CB 3.1Å; K545-S548 PolarHBondContact O-N 3.33Å; K545-S548 VanDerWaalsContact O-N 3.14Å; K545-H549 PolarHBondContact O-N 3.33Å
546	K	93.4	Very high	94	Very high	48 Å²	48	41.7 Å²	41.7	21%	0.209	20%	0.196	C	C	.	.	H	α-helix	trans	-57.4	-40.1	177.3	-70.9	177.6	-179.9	177.5	0	111.7	D202 L206 E542 F543 V544 E550	D202-K546 PolarHBondContact O-NZ 3.47Å; L206-K546 HydrophobicContact CD1-CB 3.71Å; E542-K546 WeakPolarHBondContact O-CG 3.41Å; E542-K546 PolarHBondContact O-N 3.44Å; F543-K546 PolarHBondContact O-N 3.27Å; V544-K546 VanDerWaalsContact C-N 3.33Å; V544-K546 PolarHBondContact O-N 3.38Å; K546-E550 PolarHBondContact O-N 3.03Å; K546-E550 VanDerWaalsContact O-N 3.13Å
547	L	93.9	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.7	-43.3	174.1	-71.6	171.1	0	0	0	112.3	L206 V528 F543 V544 K545 H549 E550 V551 V629 E631	L206-L547 HydrophobicContact CD1-CD2 4.01Å; L206-L547 HydrophobicContact CD1-CG 4.37Å; L206-L547 HydrophobicContact CD2-CD2 3.71Å; L206-L547 HydrophobicContact CD2-CG 4.41Å; V528-L547 HydrophobicContact CG2-CD2 3.73Å; F543-L547 HydrophobicContact CD1-CD1 4.25Å; F543-L547 HydrophobicContact CE1-CD1 3.83Å; F543-L547 HydrophobicContact CZ-CD1 4.23Å; F543-L547 PolarHBondContact O-N 3.07Å; V544-L547 PolarHBondContact O-N 3.08Å; V544-L547 VanDerWaalsContact O-N 3.15Å; K545-L547 VanDerWaalsContact C-N 3.27Å; K545-L547 PolarHBondContact O-N 2.89Å; L547-H549 VanDerWaalsContact C-N 3.26Å; L547-H549 PolarHBondContact O-N 2.95Å; L547-E550 PolarHBondContact O-N 3.3Å; L547-V551 VanDerWaalsContact O-CG2 3.28Å; L547-V551 WeakPolarHBondContact O-CG2 3.3Å; L547-V551 PolarHBondContact O-N 3.26Å; L547-V629 HydrophobicContact CD1-CB 3.81Å; L547-V629 HydrophobicContact CD1-CG1 3.54Å; L547-E631 HydrophobicContact CB-CG 4.26Å
548	S	95.2	Very high	93.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-35.2	174.8	-69.6	0	0	0	0	113	V544 K545 S552 E631	V544-S548 PolarHBondContact O-N 3.44Å; V544-S548 PolarHBondContact O-OG 2.93Å; K545-S548 WeakPolarHBondContact O-CB 3.1Å; K545-S548 PolarHBondContact O-N 3.33Å; K545-S548 VanDerWaalsContact O-N 3.14Å; S548-S552 WeakPolarHBondContact O-CB 3.31Å; S548-S552 PolarHBondContact O-N 3.24Å; S548-E631 VanDerWaalsContact CA-OE2 3.32Å; S548-E631 WeakPolarHBondContact CA-OE2 3.1Å; S548-E631 PolarHBondContact N-OE1 2.99Å; S548-E631 PolarHBondContact N-OE2 3.06Å; S548-E631 PolarHBondContact OG-OE1 3.46Å; S548-E631 PolarHBondContact OG-OE2 2.74Å
549	H	94.4	Very high	92.8	Very high	82 Å²	82	40.5 Å²	40.5	38%	0.38	19%	0.185	S	C	.	.	H	α-helix	trans	-68.4	-50.6	172.3	178.6	83.5	0	0	0	112.2	K545 L547 V551 S552 E553 E605	K545-H549 PolarHBondContact O-N 3.33Å; L547-H549 VanDerWaalsContact C-N 3.26Å; L547-H549 PolarHBondContact O-N 2.95Å; H549-V551 PolarHBondContact O-N 3.07Å; H549-S552 WeakPolarHBondContact O-CA 3.32Å; H549-S552 VanDerWaalsContact O-CB 3.32Å; H549-S552 WeakPolarHBondContact O-CB 3.48Å; H549-S552 PolarHBondContact O-N 3.24Å; H549-E553 PolarHBondContact O-N 2.65Å; H549-E605 HydrophobicContact CB-CG 4.3Å; H549-E605 IonicContact CE1-OE2 2.65Å; H549-E605 IonicContact CG-OE2 2.77Å; H549-E605 IonicContact ND1-OE2 2.84Å; H549-E605 PolarHBondContact ND1-OE2 2.62Å
550	E	92.7	Very high	92.6	Very high	25 Å²	25	40.5 Å²	40.5	12%	0.117	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-37.8	175.7	175.3	65	-155	0	0	112.2	Y210 K546 L547 R554	Y210-E550 HydrophobicContact CE2-CG 4.01Å; K546-E550 PolarHBondContact O-N 3.03Å; K546-E550 VanDerWaalsContact O-N 3.13Å; L547-E550 PolarHBondContact O-N 3.3Å; E550-R554 VanDerWaalsContact O-CG 3.31Å; E550-R554 WeakPolarHBondContact O-CG 3.08Å; E550-R554 PolarHBondContact O-N 3.26Å; E550-R554 VanDerWaalsContact O-N 3.07Å; E550-R554 IonicContact OE1-CZ 2.7Å; E550-R554 IonicContact OE1-NE 2.82Å; E550-R554 PolarHBondContact OE1-NE 3.03Å; E550-R554 IonicContact OE1-NH2 3.91Å; E550-R554 PolarHBondContact OE1-NH2 2.82Å
551	V	92.7	Very high	92.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.9	-47.3	174	178.7	0	0	0	0	111	L524 C526 L547 H549 E553 R554 M555 E631 Y633	L524-V551 HydrophobicContact CD2-CG1 3.6Å; C526-V551 HydrophobicContact CB-CG2 3.68Å; C526-V551 WeakPolarHBondContact SG-CG2 3.4Å; L547-V551 VanDerWaalsContact O-CG2 3.28Å; L547-V551 WeakPolarHBondContact O-CG2 3.3Å; L547-V551 PolarHBondContact O-N 3.26Å; H549-V551 PolarHBondContact O-N 3.07Å; V551-E553 VanDerWaalsContact C-N 3.27Å; V551-E553 PolarHBondContact O-N 3.35Å; V551-R554 CarbonylContact O-C 3.4Å; V551-R554 PolarHBondContact O-N 3.15Å; V551-R554 VanDerWaalsContact O-N 3.08Å; V551-M555 HydrophobicContact CG1-CG 4.15Å; V551-M555 HydrophobicContact CG1-SD 3.73Å; V551-M555 WeakPolarHBondContact O-CB 3.34Å; V551-M555 WeakPolarHBondContact O-CG 3.49Å; V551-M555 PolarHBondContact O-N 2.69Å; V551-E631 HydrophobicContact CG2-CB 4.36Å; V551-Y633 HydrophobicContact CB-CD2 4.4Å; V551-Y633 HydrophobicContact CB-CE2 3.8Å; V551-Y633 HydrophobicContact CG1-CD1 3.98Å; V551-Y633 HydrophobicContact CG1-CD2 3.35Å; V551-Y633 HydrophobicContact CG1-CE1 3.77Å; V551-Y633 HydrophobicContact CG1-CE2 3.17Å; V551-Y633 HydrophobicContact CG1-CG 3.8Å; V551-Y633 VanDerWaalsContact CG1-CZ 3.42Å; V551-Y633 HydrophobicContact CG2-CD2 4.32Å; V551-Y633 HydrophobicContact CG2-CE2 3.61Å
552	S	94.1	Very high	92.5	Very high	9 Å²	9	42 Å²	42	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-50.9	-48.7	174.9	171.5	0	0	0	0	110.9	S548 H549 M555 H556 S603	S548-S552 WeakPolarHBondContact O-CB 3.31Å; S548-S552 PolarHBondContact O-N 3.24Å; H549-S552 WeakPolarHBondContact O-CA 3.32Å; H549-S552 VanDerWaalsContact O-CB 3.32Å; H549-S552 WeakPolarHBondContact O-CB 3.48Å; H549-S552 PolarHBondContact O-N 3.24Å; S552-M555 WeakPolarHBondContact O-CB 3.19Å; S552-M555 PolarHBondContact O-N 3.03Å; S552-H556 PolarHBondContact O-N 3.02Å; S552-H556 PolarHBondContact O-ND1 2.91Å; S552-H556 PolarHBondContact OG-CE1 2.95Å; S552-S603 PolarHBondContact OG-O 3.3Å
553	E	92.6	Very high	92.5	Very high	79 Å²	79	42 Å²	42	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-58.9	-50	174.7	-71.2	-136.6	114.8	0	0	112.5	H549 V551 M555 H556 R557	H549-E553 PolarHBondContact O-N 2.65Å; V551-E553 VanDerWaalsContact C-N 3.27Å; V551-E553 PolarHBondContact O-N 3.35Å; E553-M555 PolarHBondContact O-N 2.86Å; E553-H556 PolarHBondContact O-N 2.86Å; E553-H556 VanDerWaalsContact O-N 3.14Å; E553-R557 WeakPolarHBondContact O-CB 3.34Å; E553-R557 VanDerWaalsContact O-CG 3.28Å; E553-R557 WeakPolarHBondContact O-CG 3.33Å; E553-R557 PolarHBondContact O-N 3.39Å; E553-R557 IonicContact OE2-CZ 2.65Å; E553-R557 IonicContact OE2-NE 3.77Å; E553-R557 IonicContact OE2-NH2 2.93Å; E553-R557 PolarHBondContact OE2-NH2 2.88Å
554	R	91.3	Very high	92.6	Very high	30 Å²	30	43 Å²	43	11%	0.113	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-28	178	-72.4	176.6	-170	-170.1	4	113.5	Y210 H216 L524 C526 E550 V551 Q558	Y210-R554 VanDerWaalsContact CE2-NH2 3.32Å; H216-R554 PolarHBondContact CE1-NH2 2.67Å; H216-R554 VanDerWaalsContact CE1-NH2 3.34Å; L524-R554 HydrophobicContact CD1-CB 4.16Å; L524-R554 HydrophobicContact CD2-CB 4.21Å; C526-R554 VanDerWaalsContact SG-CD 3.56Å; C526-R554 PolarHBondContact SG-NH1 3.44Å; E550-R554 VanDerWaalsContact O-CG 3.31Å; E550-R554 WeakPolarHBondContact O-CG 3.08Å; E550-R554 PolarHBondContact O-N 3.26Å; E550-R554 VanDerWaalsContact O-N 3.07Å; E550-R554 IonicContact OE1-CZ 2.7Å; E550-R554 IonicContact OE1-NE 2.82Å; E550-R554 PolarHBondContact OE1-NE 3.03Å; E550-R554 IonicContact OE1-NH2 3.91Å; E550-R554 PolarHBondContact OE1-NH2 2.82Å; V551-R554 CarbonylContact O-C 3.4Å; V551-R554 PolarHBondContact O-N 3.15Å; V551-R554 VanDerWaalsContact O-N 3.08Å; R554-Q558 WeakPolarHBondContact O-CB 3.07Å; R554-Q558 WeakPolarHBondContact O-CG 3.44Å
555	M	91.7	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-73.9	-43.5	175	-74.3	176.8	71	0	0	111.6	L524 V551 S552 E553 Q558 S559 V560 T602 I608 Y633	L524-M555 HydrophobicContact CD1-CG 3.88Å; L524-M555 HydrophobicContact CD2-CG 4.22Å; V551-M555 HydrophobicContact CG1-CG 4.15Å; V551-M555 HydrophobicContact CG1-SD 3.73Å; V551-M555 WeakPolarHBondContact O-CB 3.34Å; V551-M555 WeakPolarHBondContact O-CG 3.49Å; V551-M555 PolarHBondContact O-N 2.69Å; S552-M555 WeakPolarHBondContact O-CB 3.19Å; S552-M555 PolarHBondContact O-N 3.03Å; E553-M555 PolarHBondContact O-N 2.86Å; M555-Q558 CarbonylContact O-C 3.25Å; M555-Q558 PolarHBondContact O-N 3.09Å; M555-S559 PolarHBondContact O-N 3.29Å; M555-S559 VanDerWaalsContact O-N 3.16Å; M555-V560 HydrophobicContact CB-CG2 4.48Å; M555-V560 WeakPolarHBondContact CB-O 3.33Å; M555-V560 HydrophobicContact CG-CG2 4.49Å; M555-V560 PolarHBondContact O-N 3.39Å; M555-T602 VanDerWaalsContact CE-O 3.23Å; M555-T602 WeakPolarHBondContact CE-O 3.48Å; M555-I608 HydrophobicContact SD-CD1 4.21Å; M555-Y633 HydrophobicContact CE-CD1 4.46Å; M555-Y633 HydrophobicContact SD-CD1 3.76Å; M555-Y633 HydrophobicContact SD-CE1 4.27Å; M555-Y633 HydrophobicContact SD-CG 4.2Å
556	H	91.6	Very high	92.8	Very high	104 Å²	104	40.6 Å²	40.6	48%	0.481	19%	0.186	S	C	.	.	H	α-helix	trans	-65.7	-45.7	173.6	-67.6	98.3	0	0	0	112.2	S552 E553 Q558 S559 S603	S552-H556 PolarHBondContact O-N 3.02Å; S552-H556 PolarHBondContact O-ND1 2.91Å; S552-H556 PolarHBondContact OG-CE1 2.95Å; E553-H556 PolarHBondContact O-N 2.86Å; E553-H556 VanDerWaalsContact O-N 3.14Å; H556-Q558 PolarHBondContact O-N 2.91Å; H556-S559 PolarHBondContact O-N 2.97Å; H556-S559 VanDerWaalsContact O-N 3.16Å; H556-S603 PolarHBondContact CE1-O 3.32Å; H556-S603 VanDerWaalsContact CE1-O 3.32Å; H556-S603 PolarHBondContact CE1-OG 3.02Å; H556-S603 VanDerWaalsContact CE1-OG 3.32Å; H556-S603 PolarHBondContact NE2-OG 2.82Å
557	R	87.6	Confident	93	Very high	156 Å²	156	38.3 Å²	38.3	59%	0.589	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-6.3	175.5	-64.8	-177.9	-143.6	159.5	7	114.1	E553	E553-R557 WeakPolarHBondContact O-CB 3.34Å; E553-R557 VanDerWaalsContact O-CG 3.28Å; E553-R557 WeakPolarHBondContact O-CG 3.33Å; E553-R557 PolarHBondContact O-N 3.39Å; E553-R557 IonicContact OE2-CZ 2.65Å; E553-R557 IonicContact OE2-NE 3.77Å; E553-R557 IonicContact OE2-NH2 2.93Å; E553-R557 PolarHBondContact OE2-NH2 2.88Å
558	Q	84.5	Confident	93.2	Very high	76 Å²	76	41.8 Å²	41.8	36%	0.355	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	12.6	-178.4	-65.4	175.9	15.4	0	0	112.7	R554 M555 H556 V560	R554-Q558 WeakPolarHBondContact O-CB 3.07Å; R554-Q558 WeakPolarHBondContact O-CG 3.44Å; M555-Q558 CarbonylContact O-C 3.25Å; M555-Q558 PolarHBondContact O-N 3.09Å; H556-Q558 PolarHBondContact O-N 2.91Å; Q558-V560 VanDerWaalsContact C-N 3.27Å; Q558-V560 HydrophobicContact CB-CG2 4.06Å; Q558-V560 PolarHBondContact O-N 3.22Å
559	S	88.4	Confident	93.3	Very high	33 Å²	33	41.8 Å²	41.8	23%	0.231	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	42.5	179.1	-58.6	0	0	0	0	114.2	M555 H556 A638 T639 D642	M555-S559 PolarHBondContact O-N 3.29Å; M555-S559 VanDerWaalsContact O-N 3.16Å; H556-S559 PolarHBondContact O-N 2.97Å; H556-S559 VanDerWaalsContact O-N 3.16Å; S559-A638 CarbonylContact O-C 3.57Å; S559-A638 WeakPolarHBondContact O-CA 3.36Å; S559-T639 PolarHBondContact O-N 3.46Å; S559-T639 PolarHBondContact O-OG1 2.91Å; S559-D642 WeakPolarHBondContact CB-OD2 3.48Å; S559-D642 PolarHBondContact OG-OD2 3.4Å
560	V	91.4	Very high	93.4	Very high	19 Å²	19	39 Å²	39	12%	0.115	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.1	-179.2	-74.8	0	0	0	0	113.9	L524 M555 Q558 L636 K637	L524-V560 HydrophobicContact CD1-CG2 4.33Å; M555-V560 HydrophobicContact CB-CG2 4.48Å; M555-V560 WeakPolarHBondContact CB-O 3.33Å; M555-V560 HydrophobicContact CG-CG2 4.49Å; M555-V560 PolarHBondContact O-N 3.39Å; Q558-V560 VanDerWaalsContact C-N 3.27Å; Q558-V560 HydrophobicContact CB-CG2 4.06Å; Q558-V560 PolarHBondContact O-N 3.22Å; V560-L636 HydrophobicContact CG2-CD1 4.45Å; V560-K637 WeakPolarHBondContact CA-O 3.32Å
561	E	94.6	Very high	93.7	Very high	50 Å²	50	39.3 Å²	39.3	23%	0.234	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.9	168.5	-59.3	-176.3	139.6	0	0	110.5	H601 L636 K637	E561-H601 HydrophobicContact CB-CB 3.62Å; E561-H601 WeakPolarHBondContact OE2-CB 3.44Å; E561-L636 CarbonylContact O-C 3.44Å; E561-L636 VanDerWaalsContact O-CA 3.28Å; E561-L636 WeakPolarHBondContact O-CA 3.41Å; E561-K637 PolarHBondContact N-O 2.95Å; E561-K637 PolarHBondContact O-N 2.86Å
562	G	93.9	Very high	93.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.7	179.2	0	0	0	0	0	112.5	H601 T602	G562-H601 CarbonylContact O-C 3.57Å; G562-H601 WeakPolarHBondContact O-CA 3.39Å; G562-T602 PolarHBondContact N-O 2.89Å; G562-T602 PolarHBondContact O-N 3.45Å
563	R	94.8	Very high	94	Very high	89 Å²	89	40.9 Å²	40.9	34%	0.336	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-25.7	179.2	-174.5	175.4	177.2	-167	2.2	114.3	F565 T597 I598 G599 T600 G634 R635	R563-F565 WeakPolarHBondContact O-CE2 3.28Å; R563-T597 HydrophobicContact CG-CG2 3.88Å; R563-T597 WeakPolarHBondContact O-CA 3.29Å; R563-I598 WeakPolarHBondContact CG-O 3.37Å; R563-I598 PolarHBondContact NE-O 2.64Å; R563-I598 PolarHBondContact O-N 2.72Å; R563-G599 VanDerWaalsContact CZ-O 3.22Å; R563-G599 PolarHBondContact NE-O 3.07Å; R563-G599 VanDerWaalsContact NE-O 3.13Å; R563-G599 PolarHBondContact NH2-O 3.1Å; R563-G599 VanDerWaalsContact NH2-O 3.15Å; R563-T600 WeakPolarHBondContact CG-O 3.18Å; R563-G634 PolarHBondContact N-O 3.16Å; R563-R635 HydrophobicContact CB-CB 4.27Å; R563-R635 PolarHBondContact N-O 2.75Å
564	T	96.2	Very high	93.9	Very high	22 Å²	22	42 Å²	42	14%	0.135	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.7	173.7	-60.3	0	0	0	0	110	V596 T597 Y633 G634 R635	T564-V596 CarbonylContact C-O 3.55Å; T564-V596 WeakPolarHBondContact CA-O 3.33Å; T564-T597 PolarHBondContact OG1-OG1 3.41Å; T564-Y633 WeakPolarHBondContact O-CA 3.31Å; T564-G634 PolarHBondContact N-O 3.22Å; T564-G634 PolarHBondContact O-N 3.06Å; T564-R635 WeakPolarHBondContact OG1-CD 3.43Å; T564-R635 PolarHBondContact OG1-NE 2.85Å
565	F	96.2	Very high	93.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.6	-178.1	-56.4	-88.2	0	0	0	109.1	R563 S595 V596 I598 T602 I608 T611 G632 Y633	R563-F565 WeakPolarHBondContact O-CE2 3.28Å; F565-S595 CarbonylContact O-C 3.57Å; F565-S595 WeakPolarHBondContact O-CA 3.47Å; F565-S595 WeakPolarHBondContact O-CB 3.27Å; F565-V596 HydrophobicContact CB-CG1 4.18Å; F565-V596 PolarHBondContact N-O 3.24Å; F565-V596 PolarHBondContact O-N 3.04Å; F565-I598 HydrophobicContact CD2-CG2 4.02Å; F565-I598 HydrophobicContact CE2-CB 4.46Å; F565-I598 HydrophobicContact CE2-CD1 3.65Å; F565-I598 HydrophobicContact CE2-CG1 3.85Å; F565-I598 HydrophobicContact CE2-CG2 3.93Å; F565-I598 HydrophobicContact CZ-CD1 4.06Å; F565-T602 HydrophobicContact CZ-CG2 4.01Å; F565-I608 HydrophobicContact CE1-CG1 3.99Å; F565-T611 HydrophobicContact CB-CG2 4Å; F565-T611 HydrophobicContact CD2-CG2 4.02Å; F565-T611 HydrophobicContact CG-CG2 3.95Å; F565-G632 CarbonylContact C-O 3.51Å; F565-Y633 AromaticContact CD1-CD1 3.55Å; F565-Y633 HydrophobicContact CD1-CD1 3.55Å; F565-Y633 AromaticContact CD1-CE1 3.35Å; F565-Y633 HydrophobicContact CD1-CE1 3.35Å; F565-Y633 AromaticContact CE1-CD1 3.59Å; F565-Y633 HydrophobicContact CE1-CD1 3.59Å; F565-Y633 AromaticContact CE1-CE1 3.56Å; F565-Y633 HydrophobicContact CE1-CE1 3.56Å
566	T	97	Very high	93.9	Very high	30 Å²	30	48.1 Å²	48.1	18%	0.184	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	126	-176.7	-57.8	0	0	0	0	109.8	C593 K594 S595 E631 G632	T566-C593 WeakPolarHBondContact CG2-SG 2.76Å; T566-K594 WeakPolarHBondContact CA-O 3.35Å; T566-S595 WeakPolarHBondContact CB-OG 3.17Å; T566-S595 VanDerWaalsContact CG2-OG 3.3Å; T566-S595 WeakPolarHBondContact CG2-OG 3.19Å; T566-S595 PolarHBondContact OG1-OG 3.35Å; T566-E631 CarbonylContact O-C 3.53Å; T566-E631 WeakPolarHBondContact O-CA 3.45Å; T566-G632 VanDerWaalsContact CB-O 3.3Å; T566-G632 WeakPolarHBondContact CB-O 3.47Å; T566-G632 PolarHBondContact N-O 3.11Å; T566-G632 PolarHBondContact O-N 3.39Å
567	L	97.7	Very high	93.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.4	169.2	-179.8	60.8	0	0	0	109	L569 C593 K594 V612 L615 L616 L619 V629 E631	L567-L569 HydrophobicContact CD1-CD2 4Å; L567-L569 HydrophobicContact CD2-CD2 4.47Å; L567-L569 HydrophobicContact CG-CD2 4.21Å; L567-L569 HydrophobicContact CG-CG 4.35Å; L567-C593 CarbonylContact O-C 3.33Å; L567-C593 WeakPolarHBondContact O-CA 3.48Å; L567-K594 PolarHBondContact N-O 2.93Å; L567-K594 PolarHBondContact O-N 3.06Å; L567-V612 HydrophobicContact CB-CG1 4.17Å; L567-V612 HydrophobicContact CD1-CG1 3.85Å; L567-V612 HydrophobicContact CD2-CG1 4.13Å; L567-V612 HydrophobicContact CG-CG1 4.27Å; L567-L615 HydrophobicContact CB-CB 3.9Å; L567-L615 HydrophobicContact CB-CD1 3.91Å; L567-L615 HydrophobicContact CD2-CB 4.08Å; L567-L616 HydrophobicContact CD2-CB 3.65Å; L567-L616 HydrophobicContact CD2-CD1 4Å; L567-L616 HydrophobicContact CD2-CG 4.45Å; L567-L619 HydrophobicContact CD2-CD1 4.21Å; L567-L619 HydrophobicContact CG-CD1 4.41Å; L567-V629 HydrophobicContact CD1-CG1 3.98Å; L567-E631 HydrophobicContact CD1-CG 4.38Å
568	K	97.7	Very high	93.8	Very high	73 Å²	73	43.2 Å²	43.2	32%	0.317	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.6	175.5	173.4	-172.8	159.3	-152.2	0	108.4	D527 V592 G630	D527-K568 IonicContact OD1-NZ 3.14Å; D527-K568 PolarHBondContact OD1-NZ 3.03Å; K568-V592 CarbonylContact C-O 3.58Å; K568-V592 WeakPolarHBondContact CA-O 3.44Å; K568-G630 PolarHBondContact N-O 3.19Å; K568-G630 PolarHBondContact O-N 3.4Å
569	L	98	Very high	94	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.6	175.9	-51.9	171.7	0	0	0	109.3	L567 I571 S591 V592 L616 L619 P621 G628 V629	L567-L569 HydrophobicContact CD1-CD2 4Å; L567-L569 HydrophobicContact CD2-CD2 4.47Å; L567-L569 HydrophobicContact CG-CD2 4.21Å; L567-L569 HydrophobicContact CG-CG 4.35Å; L569-I571 HydrophobicContact CB-CD1 3.85Å; L569-I571 HydrophobicContact CB-CG1 4.36Å; L569-I571 HydrophobicContact CD1-CD1 4.32Å; L569-S591 WeakPolarHBondContact O-CA 3.24Å; L569-V592 HydrophobicContact CB-CG2 3.76Å; L569-V592 HydrophobicContact CD1-CG2 4.25Å; L569-V592 HydrophobicContact CG-CG2 4.36Å; L569-V592 PolarHBondContact N-O 3.44Å; L569-V592 PolarHBondContact O-N 2.82Å; L569-L616 HydrophobicContact CD1-CD1 4.16Å; L569-L616 HydrophobicContact CD2-CD1 4.5Å; L569-L619 HydrophobicContact CD1-CD1 4Å; L569-L619 HydrophobicContact CG-CD1 4.41Å; L569-P621 HydrophobicContact CD1-CB 3.91Å; L569-P621 HydrophobicContact CD1-CG 3.76Å; L569-G628 WeakPolarHBondContact CA-O 3.28Å; L569-V629 HydrophobicContact CD2-CB 4.3Å; L569-V629 HydrophobicContact CD2-CG1 3.96Å; L569-V629 HydrophobicContact CD2-CG2 3.92Å
570	M	97.8	Very high	94	Very high	24 Å²	24	44.3 Å²	44.3	12%	0.118	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.6	163.1	-64.2	-174.2	68.1	0	0	107.8	N529 H586 C589 D590 R627 G628	N529-M570 HydrophobicContact CB-SD 3.95Å; N529-M570 PolarHBondContact OD1-SD 3.29Å; N529-M570 VanDerWaalsContact OD1-SD 3.41Å; M570-H586 HydrophobicContact CE-CB 4.08Å; M570-H586 WeakPolarHBondContact CE-ND1 3.33Å; M570-H586 HydrophobicContact SD-CB 4.4Å; M570-C589 HydrophobicContact CB-CB 4.02Å; M570-C589 HydrophobicContact CE-CB 3.89Å; M570-D590 WeakPolarHBondContact CA-O 3.1Å; M570-R627 PolarHBondContact O-N 3.02Å; M570-G628 PolarHBondContact N-O 2.89Å; M570-G628 PolarHBondContact O-N 3.46Å
571	I	97.4	Very high	93.7	Very high	30 Å²	30	50.1 Å²	50.1	15%	0.154	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.4	-179	-52.6	-59	0	0	0	108.2	L569 A573 C589 D590 V592 P621 D625 I626	L569-I571 HydrophobicContact CB-CD1 3.85Å; L569-I571 HydrophobicContact CB-CG1 4.36Å; L569-I571 HydrophobicContact CD1-CD1 4.32Å; I571-A573 PolarHBondContact O-N 3.02Å; I571-C589 CarbonylContact O-C 3.59Å; I571-C589 WeakPolarHBondContact O-CA 3.38Å; I571-C589 WeakPolarHBondContact O-CB 3.39Å; I571-D590 PolarHBondContact N-O 3.01Å; I571-D590 PolarHBondContact O-N 2.83Å; I571-V592 HydrophobicContact CG1-CG2 3.97Å; I571-P621 HydrophobicContact CD1-CB 3.94Å; I571-D625 CarbonylContact C-O 3.49Å; I571-D625 WeakPolarHBondContact CA-O 3.48Å; I571-D625 HydrophobicContact CG2-CB 4.12Å; I571-I626 HydrophobicContact CD1-CG1 3.9Å
572	R	97.6	Very high	93.3	Very high	38 Å²	38	51 Å²	51	14%	0.143	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	122.4	176.5	-177.4	-168.1	62.2	72.2	17.1	109.5	P574 A576 D625 R627	R572-P574 PolarHBondContact NH1-O 3.14Å; R572-A576 WeakPolarHBondContact CD-O 3.36Å; R572-A576 HydrophobicContact CG-CB 3.95Å; R572-A576 PolarHBondContact NH1-O 2.99Å; R572-D625 HydrophobicContact CB-CB 4.19Å; R572-D625 IonicContact CZ-OD1 3.21Å; R572-D625 IonicContact CZ-OD2 3.56Å; R572-D625 PolarHBondContact N-O 3.1Å; R572-D625 IonicContact NE-OD1 3.39Å; R572-D625 PolarHBondContact NE-OD1 3.14Å; R572-D625 IonicContact NE-OD2 3.3Å; R572-D625 VanDerWaalsContact NH2-CG 3.27Å; R572-D625 IonicContact NH2-OD1 2.65Å; R572-D625 PolarHBondContact NH2-OD1 3.2Å; R572-D625 VanDerWaalsContact NH2-OD1 3.14Å; R572-D625 IonicContact NH2-OD2 3.77Å; R572-D625 PolarHBondContact NH2-OD2 2.86Å; R572-R627 HydrophobicContact CB-CG 4Å
573	A	95.1	Very high	92.9	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.033	29%	0.293	C	S	.	.			trans	-61.2	144.9	177.5	0	0	0	0	0	110.2	I571 E575 A576 I588	I571-A573 PolarHBondContact O-N 3.02Å; A573-E575 VanDerWaalsContact C-N 3.27Å; A573-E575 VanDerWaalsContact CB-OE1 3.3Å; A573-E575 WeakPolarHBondContact CB-OE1 3.12Å; A573-E575 PolarHBondContact O-N 2.67Å; A573-E575 VanDerWaalsContact O-N 3.12Å; A573-A576 HydrophobicContact CB-CB 4.21Å; A573-A576 VanDerWaalsContact O-CB 3.32Å; A573-A576 WeakPolarHBondContact O-CB 3.42Å; A573-A576 PolarHBondContact O-N 3.49Å; A573-I588 HydrophobicContact CB-CG2 3.97Å; A573-I588 PolarHBondContact N-O 3.38Å; A573-I588 VanDerWaalsContact N-O 3.12Å
574	P	91.6	Very high	92.7	Very high	104 Å²	104	54.9 Å²	54.9	68%	0.675	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-40.4	-168.6	-29.2	36.3	0	0	0	114.5	R572	R572-P574 PolarHBondContact NH1-O 3.14Å
575	E	91.3	Very high	92.4	Very high	145 Å²	145	54.1 Å²	54.1	68%	0.678	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.7	179.3	76.8	-62.5	153.6	0	0	114.6	A573	A573-E575 VanDerWaalsContact C-N 3.27Å; A573-E575 VanDerWaalsContact CB-OE1 3.3Å; A573-E575 WeakPolarHBondContact CB-OE1 3.12Å; A573-E575 PolarHBondContact O-N 2.67Å; A573-E575 VanDerWaalsContact O-N 3.12Å
576	A	91.2	Very high	92.4	Very high	13 Å²	13	57.7 Å²	57.7	11%	0.107	30%	0.298	C	S	.	.	S	Bend	trans	-74.6	146.3	-177.4	0	0	0	0	0	112.5	R572 A573 I588	R572-A576 WeakPolarHBondContact CD-O 3.36Å; R572-A576 HydrophobicContact CG-CB 3.95Å; R572-A576 PolarHBondContact NH1-O 2.99Å; A573-A576 HydrophobicContact CB-CB 4.21Å; A573-A576 VanDerWaalsContact O-CB 3.32Å; A573-A576 WeakPolarHBondContact O-CB 3.42Å; A573-A576 PolarHBondContact O-N 3.49Å; A576-I588 HydrophobicContact CB-CB 3.85Å; A576-I588 HydrophobicContact CB-CG2 4.46Å
577	S	88.8	Confident	92.2	Very high	79 Å²	79	57.9 Å²	57.9	55%	0.552	31%	0.306	S	S	*	.			trans	-66.8	142.4	179.3	55.9	0	0	0	0	112.8	E579	S577-E579 CarbonylContact C-O 3.59Å; S577-E579 VanDerWaalsContact CB-O 3.29Å; S577-E579 WeakPolarHBondContact CB-O 3.22Å; S577-E579 PolarHBondContact OG-O 2.56Å
578	V	89.5	Confident	92	Very high	78 Å²	78	63.3 Å²	63.3	47%	0.473	33%	0.334	S	S	.	.	S	Bend	trans	-63.3	-41.8	178.6	178.2	0	0	0	0	111.7
579	E	87.6	Confident	92	Very high	107 Å²	107	61.1 Å²	61.1	50%	0.5	33%	0.327	S	S	.	.	S	Bend	trans	-86.4	141.2	168	-68.5	176.7	-171.2	0	0	109.6	A120 S577	A120-E579 WeakPolarHBondContact CB-OE1 3.24Å; S577-E579 CarbonylContact C-O 3.59Å; S577-E579 VanDerWaalsContact CB-O 3.29Å; S577-E579 WeakPolarHBondContact CB-O 3.22Å; S577-E579 PolarHBondContact OG-O 2.56Å
580	T	88.6	Confident	91.9	Very high	24 Å²	24	65.3 Å²	65.3	15%	0.147	35%	0.35	C	S	.	.			trans	-110.3	139.5	-170.5	52.1	0	0	0	0	111.3	R533 K582 G585	R533-T580 PolarHBondContact NH2-OG1 2.95Å; R533-T580 VanDerWaalsContact NH2-OG1 3.1Å; T580-K582 VanDerWaalsContact C-N 3.34Å; T580-K582 CarbonylContact C-O 3.54Å; T580-K582 WeakPolarHBondContact CB-O 3.48Å; T580-K582 CarbonylContact O-C 3.4Å; T580-K582 PolarHBondContact O-N 3.39Å; T580-K582 VanDerWaalsContact O-O 3.12Å; T580-K582 PolarHBondContact OG1-O 3.37Å; T580-G585 PolarHBondContact OG1-O 3.1Å
581	M	84.3	Confident	91.8	Very high	141 Å²	141	68 Å²	68	70%	0.695	37%	0.371	S	S	*	.	S	Bend	trans	-55	-46.6	-176.7	-60.2	-173.1	-64.9	0	0	112.8	W317 F583	W317-M581 HydrophobicContact CD2-CB 4.4Å; W317-M581 HydrophobicContact CE3-CB 4.29Å; W317-M581 HydrophobicContact CH2-CB 3.68Å; W317-M581 HydrophobicContact CH2-CE 4.01Å; W317-M581 HydrophobicContact CH2-CG 4.32Å; W317-M581 HydrophobicContact CH2-SD 3.8Å; W317-M581 HydrophobicContact CZ2-CB 3.78Å; W317-M581 HydrophobicContact CZ2-CG 4.49Å; W317-M581 HydrophobicContact CZ2-SD 4.32Å; W317-M581 HydrophobicContact CZ3-CB 3.95Å; W317-M581 HydrophobicContact CZ3-CE 4.22Å; M581-F583 PolarHBondContact O-N 3.05Å
582	K	86.5	Confident	91.7	Very high	68 Å²	68	69.1 Å²	69.1	30%	0.296	38%	0.379	S	S	.	.	S	Bend	trans	-74.5	117.6	162	-167.7	-172.4	-168	85.8	0	107.8	W317 T580 L584 G585	W317-K582 HydrophobicContact CB-CB 4.29Å; W317-K582 HydrophobicContact CB-CG 4.13Å; W317-K582 PolarHBondContact O-NZ 3.37Å; T580-K582 VanDerWaalsContact C-N 3.34Å; T580-K582 CarbonylContact C-O 3.54Å; T580-K582 WeakPolarHBondContact CB-O 3.48Å; T580-K582 CarbonylContact O-C 3.4Å; T580-K582 PolarHBondContact O-N 3.39Å; T580-K582 VanDerWaalsContact O-O 3.12Å; T580-K582 PolarHBondContact OG1-O 3.37Å; K582-L584 PolarHBondContact O-N 2.86Å; K582-G585 PolarHBondContact O-N 2.68Å
583	F	86	Confident	91.6	Very high	138 Å²	138	71 Å²	71	61%	0.605	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	130.4	173.5	179.3	-105.6	0	0	0	110.5	Y530 M581 G585	Y530-F583 WeakPolarHBondContact CE2-O 3.28Å; Y530-F583 PolarHBondContact OH-O 3.44Å; M581-F583 PolarHBondContact O-N 3.05Å; F583-G585 PolarHBondContact O-N 2.71Å
584	L	89.6	Confident	91.7	Very high	34 Å²	34	74.9 Å²	74.9	18%	0.178	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	3.4	-176.8	-67.7	179.1	0	0	0	117.9	V197 Y530 G531 R533 K582	V197-L584 HydrophobicContact CG1-CD1 3.88Å; Y530-L584 HydrophobicContact CE1-CB 4.06Å; Y530-L584 HydrophobicContact CE2-CB 4.12Å; G531-L584 PolarHBondContact N-O 3.46Å; R533-L584 HydrophobicContact CG-CD2 4.25Å; K582-L584 PolarHBondContact O-N 2.86Å
585	G	91.8	Very high	92	Very high	5 Å²	5	73 Å²	73	5%	0.052	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-63.3	167.3	173.8	0	0	0	0	0	113.2	R533 T580 K582 F583	R533-G585 PolarHBondContact NH1-O 3.34Å; R533-G585 PolarHBondContact NH2-O 2.97Å; T580-G585 PolarHBondContact OG1-O 3.1Å; K582-G585 PolarHBondContact O-N 2.68Å; F583-G585 PolarHBondContact O-N 2.71Å
586	H	94.7	Very high	92.2	Very high	76 Å²	76	68.8 Å²	68.8	35%	0.352	39%	0.387	S	S	.	.			trans	-65.9	-42.1	176	52.8	78.9	0	0	0	112.3	N529 M570 C589 R627	N529-H586 PolarHBondContact O-CD2 3.48Å; N529-H586 VanDerWaalsContact O-CD2 3.31Å; M570-H586 HydrophobicContact CE-CB 4.08Å; M570-H586 WeakPolarHBondContact CE-ND1 3.33Å; M570-H586 HydrophobicContact SD-CB 4.4Å; H586-C589 PolarHBondContact O-SG 3.09Å; H586-R627 HydrophobicContact CB-CB 4Å; H586-R627 WeakPolarHBondContact O-CB 3.33Å; H586-R627 WeakPolarHBondContact O-CD 3.48Å; H586-R627 VanDerWaalsContact O-CG 3.31Å; H586-R627 WeakPolarHBondContact O-CG 3.41Å
587	G	93.2	Very high	92.5	Very high	34 Å²	34	71 Å²	71	35%	0.351	40%	0.399	S	S	.	.			trans	89.1	-156.2	-175.9	0	0	0	0	0	112.7
588	I	94.8	Very high	92.7	Very high	114 Å²	114	69 Å²	69	59%	0.585	38%	0.382	S	S	*	.	S	Bend	trans	-79.9	124.2	171.2	-58.5	173	0	0	0	107.3	A573 A576	A573-I588 HydrophobicContact CB-CG2 3.97Å; A573-I588 PolarHBondContact N-O 3.38Å; A573-I588 VanDerWaalsContact N-O 3.12Å; A576-I588 HydrophobicContact CB-CB 3.85Å; A576-I588 HydrophobicContact CB-CG2 4.46Å
589	C	96.6	Very high	92.8	Very high	26 Å²	26	68.3 Å²	68.3	18%	0.176	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141.6	-171.4	-57.7	0	0	0	0	112.1	M570 I571 H586	M570-C589 HydrophobicContact CB-CB 4.02Å; M570-C589 HydrophobicContact CE-CB 3.89Å; I571-C589 CarbonylContact O-C 3.59Å; I571-C589 WeakPolarHBondContact O-CA 3.38Å; I571-C589 WeakPolarHBondContact O-CB 3.39Å; H586-C589 PolarHBondContact O-SG 3.09Å
590	D	95.9	Very high	93	Very high	89 Å²	89	68 Å²	68	48%	0.476	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	148.5	159.9	-64.1	-61.8	0	0	0	109.8	M570 I571	M570-D590 WeakPolarHBondContact CA-O 3.1Å; I571-D590 PolarHBondContact N-O 3.01Å; I571-D590 PolarHBondContact O-N 2.83Å
591	S	95.4	Very high	93.3	Very high	82 Å²	82	69.8 Å²	69.8	57%	0.573	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	111	176	-67	0	0	0	0	110.1	L569	L569-S591 WeakPolarHBondContact O-CA 3.24Å
592	V	95.9	Very high	93.7	Very high	53 Å²	53	63.9 Å²	63.9	32%	0.321	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.1	172.7	-59.7	0	0	0	0	110	K568 L569 I571 L619	K568-V592 CarbonylContact C-O 3.58Å; K568-V592 WeakPolarHBondContact CA-O 3.44Å; L569-V592 HydrophobicContact CB-CG2 3.76Å; L569-V592 HydrophobicContact CD1-CG2 4.25Å; L569-V592 HydrophobicContact CG-CG2 4.36Å; L569-V592 PolarHBondContact N-O 3.44Å; L569-V592 PolarHBondContact O-N 2.82Å; I571-V592 HydrophobicContact CG1-CG2 3.97Å; V592-L619 HydrophobicContact CB-CD2 4.41Å; V592-L619 HydrophobicContact CG2-CD1 4.49Å; V592-L619 HydrophobicContact CG2-CD2 4.42Å
593	C	95.7	Very high	94	Very high	77 Å²	77	61.4 Å²	61.4	52%	0.52	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	139.1	-174.3	-171	0	0	0	0	110.1	T566 L567	T566-C593 WeakPolarHBondContact CG2-SG 2.76Å; L567-C593 CarbonylContact O-C 3.33Å; L567-C593 WeakPolarHBondContact O-CA 3.48Å
594	K	97	Very high	94.4	Very high	85 Å²	85	57.1 Å²	57.1	37%	0.37	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	139.7	172.6	-163.4	168.7	-174.4	162.7	0	110.9	T566 L567 L615 S618 L619	T566-K594 WeakPolarHBondContact CA-O 3.35Å; L567-K594 PolarHBondContact N-O 2.93Å; L567-K594 PolarHBondContact O-N 3.06Å; K594-L615 HydrophobicContact CB-CD2 4.19Å; K594-L615 HydrophobicContact CD-CD2 4.31Å; K594-L615 HydrophobicContact CG-CD2 3.9Å; K594-S618 PolarHBondContact NZ-OG 2.91Å; K594-L619 HydrophobicContact CB-CD1 4.18Å; K594-L619 HydrophobicContact CB-CD2 4.11Å; K594-L619 HydrophobicContact CB-CG 4.15Å
595	S	96.9	Very high	94.6	Very high	65 Å²	65	58.9 Å²	58.9	46%	0.455	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	155.7	179.6	-52.1	0	0	0	0	112.2	F565 T566	F565-S595 CarbonylContact O-C 3.57Å; F565-S595 WeakPolarHBondContact O-CA 3.47Å; F565-S595 WeakPolarHBondContact O-CB 3.27Å; T566-S595 WeakPolarHBondContact CB-OG 3.17Å; T566-S595 VanDerWaalsContact CG2-OG 3.3Å; T566-S595 WeakPolarHBondContact CG2-OG 3.19Å; T566-S595 PolarHBondContact OG1-OG 3.35Å
596	V	97	Very high	94.8	Very high	57 Å²	57	62.3 Å²	62.3	35%	0.345	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.2	171.3	64	0	0	0	0	109.5	T564 F565 T611 L615	T564-V596 CarbonylContact C-O 3.55Å; T564-V596 WeakPolarHBondContact CA-O 3.33Å; F565-V596 HydrophobicContact CB-CG1 4.18Å; F565-V596 PolarHBondContact N-O 3.24Å; F565-V596 PolarHBondContact O-N 3.04Å; V596-T611 HydrophobicContact CG1-CG2 3.4Å; V596-T611 VanDerWaalsContact CG1-CG2 3.4Å; V596-L615 HydrophobicContact CB-CD2 4.11Å; V596-L615 HydrophobicContact CG1-CD1 4.2Å; V596-L615 HydrophobicContact CG1-CD2 3.98Å; V596-L615 HydrophobicContact CG1-CG 4.21Å
597	T	96.7	Very high	94.8	Very high	60 Å²	60	60.7 Å²	60.7	37%	0.368	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.4	175.2	-59.3	0	0	0	0	108.7	R563 T564	R563-T597 HydrophobicContact CG-CG2 3.88Å; R563-T597 WeakPolarHBondContact O-CA 3.29Å; T564-T597 PolarHBondContact OG1-OG1 3.41Å
598	I	93.5	Very high	94.9	Very high	36 Å²	36	59 Å²	59	19%	0.185	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	175.4	-177	78.8	-177.7	0	0	0	111.5	R563 F565 T600 T602 V607 T611	R563-I598 WeakPolarHBondContact CG-O 3.37Å; R563-I598 PolarHBondContact NE-O 2.64Å; R563-I598 PolarHBondContact O-N 2.72Å; F565-I598 HydrophobicContact CD2-CG2 4.02Å; F565-I598 HydrophobicContact CE2-CB 4.46Å; F565-I598 HydrophobicContact CE2-CD1 3.65Å; F565-I598 HydrophobicContact CE2-CG1 3.85Å; F565-I598 HydrophobicContact CE2-CG2 3.93Å; F565-I598 HydrophobicContact CZ-CD1 4.06Å; I598-T600 WeakPolarHBondContact CG1-O 3.39Å; I598-T602 HydrophobicContact CD1-CG2 4.03Å; I598-V607 HydrophobicContact CD1-CG1 4.15Å; I598-T611 HydrophobicContact CG2-CG2 4.44Å
599	G	90.7	Very high	94.9	Very high	64 Å²	64	54.2 Å²	54.2	66%	0.66	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	-52	-179.4	0	0	0	0	0	113.5	R563	R563-G599 VanDerWaalsContact CZ-O 3.22Å; R563-G599 PolarHBondContact NE-O 3.07Å; R563-G599 VanDerWaalsContact NE-O 3.13Å; R563-G599 PolarHBondContact NH2-O 3.1Å; R563-G599 VanDerWaalsContact NH2-O 3.15Å
600	T	91.9	Very high	94.9	Very high	99 Å²	99	61.3 Å²	61.3	61%	0.607	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	166	-175.9	53.4	0	0	0	0	112.3	R563 I598	R563-T600 WeakPolarHBondContact CG-O 3.18Å; I598-T600 WeakPolarHBondContact CG1-O 3.39Å
601	H	94.3	Very high	94.9	Very high	62 Å²	62	58.1 Å²	58.1	29%	0.287	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	155.1	159.1	-57.6	85	0	0	0	108.6	E561 G562 R635	E561-H601 HydrophobicContact CB-CB 3.62Å; E561-H601 WeakPolarHBondContact OE2-CB 3.44Å; G562-H601 CarbonylContact O-C 3.57Å; G562-H601 WeakPolarHBondContact O-CA 3.39Å; H601-R635 PolarHBondContact CD2-O 3.03Å
602	T	93.8	Very high	94.9	Very high	18 Å²	18	54.3 Å²	54.3	11%	0.11	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	156.6	171.3	-164.9	0	0	0	0	112.5	M555 G562 F565 I598 S604 V607	M555-T602 VanDerWaalsContact CE-O 3.23Å; M555-T602 WeakPolarHBondContact CE-O 3.48Å; G562-T602 PolarHBondContact N-O 2.89Å; G562-T602 PolarHBondContact O-N 3.45Å; F565-T602 HydrophobicContact CZ-CG2 4.01Å; I598-T602 HydrophobicContact CD1-CG2 4.03Å; T602-S604 VanDerWaalsContact OG1-CB 3.25Å; T602-S604 WeakPolarHBondContact OG1-CB 3.5Å; T602-S604 PolarHBondContact OG1-N 3.46Å; T602-V607 HydrophobicContact CG2-CB 4.23Å; T602-V607 HydrophobicContact CG2-CG1 4.02Å
603	S	93	Very high	95	Very high	16 Å²	16	52.3 Å²	52.3	11%	0.112	31%	0.305	C	S	.	.			trans	-109.8	1	161.6	58.7	0	0	0	0	112.7	S552 H556 E605 I608	S552-S603 PolarHBondContact OG-O 3.3Å; H556-S603 PolarHBondContact CE1-O 3.32Å; H556-S603 VanDerWaalsContact CE1-O 3.32Å; H556-S603 PolarHBondContact CE1-OG 3.02Å; H556-S603 VanDerWaalsContact CE1-OG 3.32Å; H556-S603 PolarHBondContact NE2-OG 2.82Å; S603-E605 PolarHBondContact O-N 3.47Å; S603-I608 WeakPolarHBondContact O-CD1 3.43Å
604	S	94	Very high	95	Very high	48 Å²	48	52.3 Å²	52.3	34%	0.336	31%	0.306	S	S	.	.			trans	-74	111.7	-165.1	-174.6	0	0	0	0	113	T602 V607 I608	T602-S604 VanDerWaalsContact OG1-CB 3.25Å; T602-S604 WeakPolarHBondContact OG1-CB 3.5Å; T602-S604 PolarHBondContact OG1-N 3.46Å; S604-V607 WeakPolarHBondContact O-CA 3.3Å; S604-V607 WeakPolarHBondContact O-CB 3.21Å; S604-V607 PolarHBondContact O-N 2.87Å; S604-I608 WeakPolarHBondContact O-CG1 3.47Å; S604-I608 PolarHBondContact O-N 2.89Å
605	E	94.7	Very high	95	Very high	70 Å²	70	48.7 Å²	48.7	33%	0.327	29%	0.291	S	S	.	.	H	α-helix	trans	-46.8	-48.3	180	-177.7	-154.1	134	0	0	113.8	H549 S603 V607 I608 A609	H549-E605 HydrophobicContact CB-CG 4.3Å; H549-E605 IonicContact CE1-OE2 2.65Å; H549-E605 IonicContact CG-OE2 2.77Å; H549-E605 IonicContact ND1-OE2 2.84Å; H549-E605 PolarHBondContact ND1-OE2 2.62Å; S603-E605 PolarHBondContact O-N 3.47Å; E605-V607 PolarHBondContact O-N 2.74Å; E605-I608 CarbonylContact O-C 3.42Å; E605-I608 WeakPolarHBondContact O-CB 3.38Å; E605-I608 PolarHBondContact O-N 3.42Å; E605-I608 VanDerWaalsContact O-N 3.1Å; E605-A609 WeakPolarHBondContact O-CB 3.44Å; E605-A609 PolarHBondContact O-N 3.09Å
606	P	94.8	Very high	95.1	Very high	77 Å²	77	45.6 Å²	45.6	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-21.7	179.7	-23	36.1	0	0	0	114	R610	P606-R610 WeakPolarHBondContact O-CG 3.44Å; P606-R610 PolarHBondContact O-NE 3.23Å; P606-R610 PolarHBondContact O-NH2 3.26Å
607	V	94.5	Very high	95.1	Very high	42 Å²	42	50.4 Å²	50.4	26%	0.255	28%	0.281	S	S	.	.	H	α-helix	trans	-80	-43.8	171.6	-176.6	0	0	0	0	110	I598 T602 S604 E605 T611	I598-V607 HydrophobicContact CD1-CG1 4.15Å; T602-V607 HydrophobicContact CG2-CB 4.23Å; T602-V607 HydrophobicContact CG2-CG1 4.02Å; S604-V607 WeakPolarHBondContact O-CA 3.3Å; S604-V607 WeakPolarHBondContact O-CB 3.21Å; S604-V607 PolarHBondContact O-N 2.87Å; E605-V607 PolarHBondContact O-N 2.74Å; V607-T611 WeakPolarHBondContact O-CB 3.43Å; V607-T611 PolarHBondContact O-N 3.16Å; V607-T611 VanDerWaalsContact O-N 3.11Å; V607-T611 PolarHBondContact O-OG1 3.32Å
608	I	95.4	Very high	95	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-61.1	177.1	-66.1	173.5	0	0	0	110.6	M555 F565 S603 S604 E605 R610 T611 V612 Y633	M555-I608 HydrophobicContact SD-CD1 4.21Å; F565-I608 HydrophobicContact CE1-CG1 3.99Å; S603-I608 WeakPolarHBondContact O-CD1 3.43Å; S604-I608 WeakPolarHBondContact O-CG1 3.47Å; S604-I608 PolarHBondContact O-N 2.89Å; E605-I608 CarbonylContact O-C 3.42Å; E605-I608 WeakPolarHBondContact O-CB 3.38Å; E605-I608 PolarHBondContact O-N 3.42Å; E605-I608 VanDerWaalsContact O-N 3.1Å; I608-R610 VanDerWaalsContact C-N 3.33Å; I608-R610 PolarHBondContact O-N 3.06Å; I608-T611 CarbonylContact O-C 3.55Å; I608-T611 WeakPolarHBondContact O-CA 3.38Å; I608-T611 VanDerWaalsContact O-CB 3.32Å; I608-T611 WeakPolarHBondContact O-CB 3.29Å; I608-T611 PolarHBondContact O-N 2.88Å; I608-V612 HydrophobicContact CG2-CG2 4.23Å; I608-V612 WeakPolarHBondContact O-CG2 3.31Å; I608-V612 PolarHBondContact O-N 3.31Å; I608-Y633 HydrophobicContact CD1-CE1 4.19Å; I608-Y633 HydrophobicContact CG1-CE1 4.22Å; I608-Y633 HydrophobicContact CG2-CE1 3.7Å; I608-Y633 WeakPolarHBondContact CG2-OH 3.35Å
609	A	95.7	Very high	95.1	Very high	12 Å²	12	51.2 Å²	51.2	10%	0.099	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-41.2	-174.8	0	0	0	0	0	112.4	E605 T611 V612 V613	E605-A609 WeakPolarHBondContact O-CB 3.44Å; E605-A609 PolarHBondContact O-N 3.09Å; A609-T611 VanDerWaalsContact C-N 3.32Å; A609-T611 PolarHBondContact O-N 2.88Å; A609-V612 PolarHBondContact O-N 2.85Å; A609-V613 VanDerWaalsContact O-CB 3.29Å; A609-V613 WeakPolarHBondContact O-CB 3.49Å; A609-V613 VanDerWaalsContact O-CG2 3.24Å; A609-V613 WeakPolarHBondContact O-CG2 3.46Å; A609-V613 PolarHBondContact O-N 2.97Å
610	R	96.3	Very high	95.3	Very high	176 Å²	176	55.4 Å²	55.4	66%	0.664	29%	0.291	S	S	*	.	H	α-helix	trans	-62.5	-38.1	173.4	-76	-175.3	-65.9	165.7	0.1	112.5	P606 I608 S614	P606-R610 WeakPolarHBondContact O-CG 3.44Å; P606-R610 PolarHBondContact O-NE 3.23Å; P606-R610 PolarHBondContact O-NH2 3.26Å; I608-R610 VanDerWaalsContact C-N 3.33Å; I608-R610 PolarHBondContact O-N 3.06Å; R610-S614 WeakPolarHBondContact O-CB 3.4Å; R610-S614 PolarHBondContact O-N 2.62Å; R610-S614 VanDerWaalsContact O-N 3.12Å
611	T	96	Very high	95.4	Very high	22 Å²	22	51.2 Å²	51.2	14%	0.135	27%	0.265	C	S	.	.	H	α-helix	trans	-69.1	-46.3	178.4	-57.8	0	0	0	0	111.2	F565 V596 I598 V607 I608 A609 S614 L615	F565-T611 HydrophobicContact CB-CG2 4Å; F565-T611 HydrophobicContact CD2-CG2 4.02Å; F565-T611 HydrophobicContact CG-CG2 3.95Å; V596-T611 HydrophobicContact CG1-CG2 3.4Å; V596-T611 VanDerWaalsContact CG1-CG2 3.4Å; I598-T611 HydrophobicContact CG2-CG2 4.44Å; V607-T611 WeakPolarHBondContact O-CB 3.43Å; V607-T611 PolarHBondContact O-N 3.16Å; V607-T611 VanDerWaalsContact O-N 3.11Å; V607-T611 PolarHBondContact O-OG1 3.32Å; I608-T611 CarbonylContact O-C 3.55Å; I608-T611 WeakPolarHBondContact O-CA 3.38Å; I608-T611 VanDerWaalsContact O-CB 3.32Å; I608-T611 WeakPolarHBondContact O-CB 3.29Å; I608-T611 PolarHBondContact O-N 2.88Å; A609-T611 VanDerWaalsContact C-N 3.32Å; A609-T611 PolarHBondContact O-N 2.88Å; T611-S614 WeakPolarHBondContact O-CB 3.43Å; T611-S614 PolarHBondContact O-N 3.08Å; T611-L615 PolarHBondContact O-N 3.23Å; T611-L615 VanDerWaalsContact O-N 3.1Å
612	V	95.9	Very high	95.5	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-70.2	-39.4	179.6	-172.7	0	0	0	0	111.7	V544 L567 I608 A609 S614 L615 L616 E631	V544-V612 HydrophobicContact CG1-CB 4.12Å; V544-V612 HydrophobicContact CG1-CG1 3.55Å; L567-V612 HydrophobicContact CB-CG1 4.17Å; L567-V612 HydrophobicContact CD1-CG1 3.85Å; L567-V612 HydrophobicContact CD2-CG1 4.13Å; L567-V612 HydrophobicContact CG-CG1 4.27Å; I608-V612 HydrophobicContact CG2-CG2 4.23Å; I608-V612 WeakPolarHBondContact O-CG2 3.31Å; I608-V612 PolarHBondContact O-N 3.31Å; A609-V612 PolarHBondContact O-N 2.85Å; V612-S614 PolarHBondContact O-N 2.92Å; V612-L615 WeakPolarHBondContact O-CB 3.3Å; V612-L615 PolarHBondContact O-N 3.34Å; V612-L615 VanDerWaalsContact O-N 3.11Å; V612-L616 WeakPolarHBondContact O-CB 3.41Å; V612-L616 PolarHBondContact O-N 2.75Å; V612-E631 HydrophobicContact CG1-CG 4.2Å
613	V	96.7	Very high	95.5	Very high	12 Å²	12	54 Å²	54	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-30.2	172.9	170.6	0	0	0	0	111.9	V541 V544 A609 R617	V541-V613 HydrophobicContact CG1-CG2 4.15Å; V541-V613 HydrophobicContact CG2-CG1 4.35Å; V544-V613 HydrophobicContact CG1-CG2 4.23Å; A609-V613 VanDerWaalsContact O-CB 3.29Å; A609-V613 WeakPolarHBondContact O-CB 3.49Å; A609-V613 VanDerWaalsContact O-CG2 3.24Å; A609-V613 WeakPolarHBondContact O-CG2 3.46Å; A609-V613 PolarHBondContact O-N 2.97Å; V613-R617 HydrophobicContact CG1-CG 4.47Å; V613-R617 WeakPolarHBondContact O-CB 3.49Å; V613-R617 VanDerWaalsContact O-CG 3.3Å; V613-R617 WeakPolarHBondContact O-CG 3.5Å; V613-R617 PolarHBondContact O-N 2.84Å
614	S	96.8	Very high	95.7	Very high	77 Å²	77	57 Å²	57	54%	0.538	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-43.4	171	-168.8	0	0	0	0	112.1	R610 T611 V612 L616 R617 S618	R610-S614 WeakPolarHBondContact O-CB 3.4Å; R610-S614 PolarHBondContact O-N 2.62Å; R610-S614 VanDerWaalsContact O-N 3.12Å; T611-S614 WeakPolarHBondContact O-CB 3.43Å; T611-S614 PolarHBondContact O-N 3.08Å; V612-S614 PolarHBondContact O-N 2.92Å; S614-L616 PolarHBondContact O-N 2.65Å; S614-R617 PolarHBondContact O-N 3.1Å; S614-S618 WeakPolarHBondContact O-CB 3.29Å; S614-S618 PolarHBondContact O-N 3.01Å
615	L	97.3	Very high	95.8	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-44.8	172.6	-65.8	173	0	0	0	111.6	L567 K594 V596 T611 V612 S618 L619	L567-L615 HydrophobicContact CB-CB 3.9Å; L567-L615 HydrophobicContact CB-CD1 3.91Å; L567-L615 HydrophobicContact CD2-CB 4.08Å; K594-L615 HydrophobicContact CB-CD2 4.19Å; K594-L615 HydrophobicContact CD-CD2 4.31Å; K594-L615 HydrophobicContact CG-CD2 3.9Å; V596-L615 HydrophobicContact CB-CD2 4.11Å; V596-L615 HydrophobicContact CG1-CD1 4.2Å; V596-L615 HydrophobicContact CG1-CD2 3.98Å; V596-L615 HydrophobicContact CG1-CG 4.21Å; T611-L615 PolarHBondContact O-N 3.23Å; T611-L615 VanDerWaalsContact O-N 3.1Å; V612-L615 WeakPolarHBondContact O-CB 3.3Å; V612-L615 PolarHBondContact O-N 3.34Å; V612-L615 VanDerWaalsContact O-N 3.11Å; L615-S618 CarbonylContact O-C 3.29Å; L615-S618 PolarHBondContact O-N 3.01Å; L615-L619 PolarHBondContact O-N 2.95Å
616	L	97.2	Very high	95.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-50.3	177.6	-177.4	73.6	0	0	0	111.5	W537 T540 V541 V544 L567 L569 V612 S614 S618 L619 Q620 P621	W537-L616 HydrophobicContact CE3-CD2 4.43Å; W537-L616 HydrophobicContact CH2-CD2 3.95Å; W537-L616 HydrophobicContact CH2-CG 3.7Å; W537-L616 HydrophobicContact CZ3-CD2 3.57Å; W537-L616 HydrophobicContact CZ3-CG 3.88Å; T540-L616 HydrophobicContact CG2-CD1 3.98Å; T540-L616 HydrophobicContact CG2-CD2 3.93Å; T540-L616 HydrophobicContact CG2-CG 4.49Å; V541-L616 HydrophobicContact CG2-CD2 3.91Å; V544-L616 HydrophobicContact CG2-CD1 4.44Å; V544-L616 HydrophobicContact CG2-CD2 4.21Å; L567-L616 HydrophobicContact CD2-CB 3.65Å; L567-L616 HydrophobicContact CD2-CD1 4Å; L567-L616 HydrophobicContact CD2-CG 4.45Å; L569-L616 HydrophobicContact CD1-CD1 4.16Å; L569-L616 HydrophobicContact CD2-CD1 4.5Å; V612-L616 WeakPolarHBondContact O-CB 3.41Å; V612-L616 PolarHBondContact O-N 2.75Å; S614-L616 PolarHBondContact O-N 2.65Å; L616-S618 PolarHBondContact O-N 3.02Å; L616-L619 PolarHBondContact O-N 3.46Å; L616-Q620 PolarHBondContact O-N 3.25Å; L616-Q620 VanDerWaalsContact O-N 3.11Å; L616-P621 HydrophobicContact CD1-CG 3.89Å; L616-P621 WeakPolarHBondContact O-CD 3.04Å
617	R	96.9	Very high	96	Very high	159 Å²	159	49.4 Å²	49.4	60%	0.6	25%	0.249	S	C	*	.	H	α-helix	trans	-61.8	-27.7	176.2	-75	173.4	178.5	161.9	-0.2	113.2	W537 V613 S614 Q620	W537-R617 HydrophobicContact CH2-CB 4.44Å; W537-R617 HydrophobicContact CH2-CG 3.89Å; W537-R617 HydrophobicContact CZ3-CG 3.92Å; V613-R617 HydrophobicContact CG1-CG 4.47Å; V613-R617 WeakPolarHBondContact O-CB 3.49Å; V613-R617 VanDerWaalsContact O-CG 3.3Å; V613-R617 WeakPolarHBondContact O-CG 3.5Å; V613-R617 PolarHBondContact O-N 2.84Å; S614-R617 PolarHBondContact O-N 3.1Å; R617-Q620 WeakPolarHBondContact O-CG 3.46Å
618	S	95.7	Very high	96.1	Very high	64 Å²	64	47.4 Å²	47.4	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-85	-14.4	174.9	-172.1	0	0	0	0	114.2	K594 S614 L615 L616	K594-S618 PolarHBondContact NZ-OG 2.91Å; S614-S618 WeakPolarHBondContact O-CB 3.29Å; S614-S618 PolarHBondContact O-N 3.01Å; L615-S618 CarbonylContact O-C 3.29Å; L615-S618 PolarHBondContact O-N 3.01Å; L616-S618 PolarHBondContact O-N 3.02Å
619	L	95.2	Very high	96.2	Very high	48 Å²	48	47.4 Å²	47.4	25%	0.251	24%	0.237	S	C	.	.	H	α-helix	trans	-90.2	-22.4	172.5	-77.3	171.7	0	0	0	112.9	L567 L569 V592 K594 L615 L616 P621	L567-L619 HydrophobicContact CD2-CD1 4.21Å; L567-L619 HydrophobicContact CG-CD1 4.41Å; L569-L619 HydrophobicContact CD1-CD1 4Å; L569-L619 HydrophobicContact CG-CD1 4.41Å; V592-L619 HydrophobicContact CB-CD2 4.41Å; V592-L619 HydrophobicContact CG2-CD1 4.49Å; V592-L619 HydrophobicContact CG2-CD2 4.42Å; K594-L619 HydrophobicContact CB-CD1 4.18Å; K594-L619 HydrophobicContact CB-CD2 4.11Å; K594-L619 HydrophobicContact CB-CG 4.15Å; L615-L619 PolarHBondContact O-N 2.95Å; L616-L619 PolarHBondContact O-N 3.46Å; L619-P621 VanDerWaalsContact C-CD 3.45Å
620	Q	94.8	Very high	96.2	Very high	153 Å²	153	47 Å²	47	72%	0.715	23%	0.233	S	C	*	.			trans	46.1	47.5	179.3	-58.4	-172	-3.6	0	0	114.9	L616 R617	L616-Q620 PolarHBondContact O-N 3.25Å; L616-Q620 VanDerWaalsContact O-N 3.11Å; R617-Q620 WeakPolarHBondContact O-CG 3.46Å
621	P	95	Very high	96.2	Very high	10 Å²	10	38.6 Å²	38.6	7%	0.065	20%	0.202	C	C	.	.			trans	-65.6	152.1	178.9	32.3	-38.1	0	0	0	111.4	L569 I571 L616 L619 P623 I626	L569-P621 HydrophobicContact CD1-CB 3.91Å; L569-P621 HydrophobicContact CD1-CG 3.76Å; I571-P621 HydrophobicContact CD1-CB 3.94Å; L616-P621 HydrophobicContact CD1-CG 3.89Å; L616-P621 WeakPolarHBondContact O-CD 3.04Å; L619-P621 VanDerWaalsContact C-CD 3.45Å; P621-P623 WeakPolarHBondContact O-CD 3.35Å; P621-I626 HydrophobicContact CB-CD1 4.01Å; P621-I626 HydrophobicContact CB-CG1 4.05Å; P621-I626 HydrophobicContact CG-CD1 3.92Å
622	Q	95.1	Very high	96.1	Very high	128 Å²	128	38.4 Å²	38.4	60%	0.598	20%	0.204	S	C	*	.			trans	-79.3	115.6	165.9	-69.7	-62.9	-38.5	0	0	109.1	T624 D625 I626	Q622-T624 VanDerWaalsContact C-N 3.31Å; Q622-T624 PolarHBondContact O-N 2.92Å; Q622-D625 HydrophobicContact CB-CB 4.44Å; Q622-D625 PolarHBondContact O-N 3.01Å; Q622-I626 PolarHBondContact O-N 2.86Å
623	P	95.4	Very high	96	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.065	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-50.7	-46.2	-173.8	-33.7	39.2	0	0	0	114.5	L534 D536 W537 T540 P621 D625 I626	L534-P623 CarbonylContact O-C 3.6Å; D536-P623 VanDerWaalsContact C-CG 3.47Å; D536-P623 WeakPolarHBondContact O-CB 3.16Å; W537-P623 HydrophobicContact CG-CG 4.33Å; T540-P623 WeakPolarHBondContact OG1-CB 3.35Å; P621-P623 WeakPolarHBondContact O-CD 3.35Å; P623-D625 PolarHBondContact O-N 2.83Å; P623-D625 VanDerWaalsContact O-N 3.12Å; P623-I626 WeakPolarHBondContact O-CB 3.25Å; P623-I626 PolarHBondContact O-N 2.93Å
624	T	95.6	Very high	95.8	Very high	79 Å²	79	38.7 Å²	38.7	49%	0.485	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-67	-12.6	-177.4	57.6	0	0	0	0	114.6	L534 K535 Q622 R627	L534-T624 WeakPolarHBondContact O-CA 3.38Å; L534-T624 PolarHBondContact O-N 3.25Å; K535-T624 VanDerWaalsContact O-CG2 3.27Å; K535-T624 WeakPolarHBondContact O-CG2 3.22Å; Q622-T624 VanDerWaalsContact C-N 3.31Å; Q622-T624 PolarHBondContact O-N 2.92Å; T624-R627 PolarHBondContact O-NH1 2.82Å; T624-R627 PolarHBondContact O-NH2 3.22Å
625	D	96.6	Very high	95.6	Very high	33 Å²	33	42.4 Å²	42.4	18%	0.176	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-105.6	-2.9	174.4	-79.1	-22.7	0	0	0	113.7	I571 R572 Q622 P623 R627	I571-D625 CarbonylContact C-O 3.49Å; I571-D625 WeakPolarHBondContact CA-O 3.48Å; I571-D625 HydrophobicContact CG2-CB 4.12Å; R572-D625 HydrophobicContact CB-CB 4.19Å; R572-D625 IonicContact CZ-OD1 3.21Å; R572-D625 IonicContact CZ-OD2 3.56Å; R572-D625 PolarHBondContact N-O 3.1Å; R572-D625 IonicContact NE-OD1 3.39Å; R572-D625 PolarHBondContact NE-OD1 3.14Å; R572-D625 IonicContact NE-OD2 3.3Å; R572-D625 VanDerWaalsContact NH2-CG 3.27Å; R572-D625 IonicContact NH2-OD1 2.65Å; R572-D625 PolarHBondContact NH2-OD1 3.2Å; R572-D625 VanDerWaalsContact NH2-OD1 3.14Å; R572-D625 IonicContact NH2-OD2 3.77Å; R572-D625 PolarHBondContact NH2-OD2 2.86Å; Q622-D625 HydrophobicContact CB-CB 4.44Å; Q622-D625 PolarHBondContact O-N 3.01Å; P623-D625 PolarHBondContact O-N 2.83Å; P623-D625 VanDerWaalsContact O-N 3.12Å; D625-R627 PolarHBondContact O-N 2.79Å; D625-R627 IonicContact OD1-NH2 2.62Å
626	I	97	Very high	95.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.1	168.8	-56.3	174.7	0	0	0	109.1	V532 L534 T540 I571 P621 Q622 P623 V629	V532-I626 HydrophobicContact CG1-CG2 3.97Å; L534-I626 HydrophobicContact CD1-CB 4.11Å; L534-I626 HydrophobicContact CD1-CD1 3.96Å; L534-I626 HydrophobicContact CD1-CG2 4Å; T540-I626 HydrophobicContact CG2-CD1 3.53Å; I571-I626 HydrophobicContact CD1-CG1 3.9Å; P621-I626 HydrophobicContact CB-CD1 4.01Å; P621-I626 HydrophobicContact CB-CG1 4.05Å; P621-I626 HydrophobicContact CG-CD1 3.92Å; Q622-I626 PolarHBondContact O-N 2.86Å; P623-I626 WeakPolarHBondContact O-CB 3.25Å; P623-I626 PolarHBondContact O-N 2.93Å; I626-V629 HydrophobicContact CG2-CG2 3.8Å
627	R	97	Very high	95.1	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-8.3	-176.3	-70.7	-64.8	172.4	-77.1	-5.8	113.7	M570 R572 H586 T624 D625	M570-R627 PolarHBondContact O-N 3.02Å; R572-R627 HydrophobicContact CB-CG 4Å; H586-R627 HydrophobicContact CB-CB 4Å; H586-R627 WeakPolarHBondContact O-CB 3.33Å; H586-R627 WeakPolarHBondContact O-CD 3.48Å; H586-R627 VanDerWaalsContact O-CG 3.31Å; H586-R627 WeakPolarHBondContact O-CG 3.41Å; T624-R627 PolarHBondContact O-NH1 2.82Å; T624-R627 PolarHBondContact O-NH2 3.22Å; D625-R627 PolarHBondContact O-N 2.79Å; D625-R627 IonicContact OD1-NH2 2.62Å
628	G	96.8	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	149.5	172.9	0	0	0	0	0	111	V528 N529 L569 M570	V528-G628 CarbonylContact O-C 3.26Å; V528-G628 VanDerWaalsContact O-CA 3.25Å; V528-G628 WeakPolarHBondContact O-CA 3.5Å; N529-G628 VanDerWaalsContact OD1-CA 3.31Å; N529-G628 WeakPolarHBondContact OD1-CA 3.19Å; L569-G628 WeakPolarHBondContact CA-O 3.28Å; M570-G628 PolarHBondContact N-O 2.89Å; M570-G628 PolarHBondContact O-N 3.46Å
629	V	97.3	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.6	178.2	-175.5	0	0	0	0	107.9	V528 V532 F543 V544 L547 L567 L569 I626	V528-V629 PolarHBondContact N-O 2.89Å; V528-V629 PolarHBondContact O-N 3Å; V532-V629 HydrophobicContact CG1-CG2 4.42Å; F543-V629 HydrophobicContact CD1-CB 4.45Å; F543-V629 HydrophobicContact CD1-CG2 3.98Å; F543-V629 HydrophobicContact CE1-CB 3.97Å; F543-V629 HydrophobicContact CE1-CG2 3.79Å; V544-V629 HydrophobicContact CG2-CG1 4.2Å; L547-V629 HydrophobicContact CD1-CB 3.81Å; L547-V629 HydrophobicContact CD1-CG1 3.54Å; L567-V629 HydrophobicContact CD1-CG1 3.98Å; L569-V629 HydrophobicContact CD2-CB 4.3Å; L569-V629 HydrophobicContact CD2-CG1 3.96Å; L569-V629 HydrophobicContact CD2-CG2 3.92Å; I626-V629 HydrophobicContact CG2-CG2 3.8Å
630	G	96.7	Very high	92.2	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.1	173.8	0	0	0	0	0	111.2	C526 K568	C526-G630 CarbonylContact O-C 3.54Å; C526-G630 VanDerWaalsContact O-CA 3.26Å; C526-G630 WeakPolarHBondContact O-CA 3.45Å; K568-G630 PolarHBondContact N-O 3.19Å; K568-G630 PolarHBondContact O-N 3.4Å
631	E	96.2	Very high	90.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.3	174.1	-56.1	-172.6	175.8	0	0	110.2	S525 C526 V544 L547 S548 V551 T566 L567 V612 Y633	S525-E631 CarbonylContact C-O 3.56Å; S525-E631 WeakPolarHBondContact CA-O 3.13Å; S525-E631 WeakPolarHBondContact CB-O 3.43Å; C526-E631 PolarHBondContact N-O 3.31Å; C526-E631 PolarHBondContact O-N 3.01Å; V544-E631 VanDerWaalsContact O-OE1 3.05Å; L547-E631 HydrophobicContact CB-CG 4.26Å; S548-E631 VanDerWaalsContact CA-OE2 3.32Å; S548-E631 WeakPolarHBondContact CA-OE2 3.1Å; S548-E631 PolarHBondContact N-OE1 2.99Å; S548-E631 PolarHBondContact N-OE2 3.06Å; S548-E631 PolarHBondContact OG-OE1 3.46Å; S548-E631 PolarHBondContact OG-OE2 2.74Å; V551-E631 HydrophobicContact CG2-CB 4.36Å; T566-E631 CarbonylContact O-C 3.53Å; T566-E631 WeakPolarHBondContact O-CA 3.45Å; L567-E631 HydrophobicContact CD1-CG 4.38Å; V612-E631 HydrophobicContact CG1-CG 4.2Å; E631-Y633 HydrophobicContact CB-CE2 3.58Å; E631-Y633 PolarHBondContact OE2-OH 3.32Å
632	G	93.7	Very high	87.8	Confident	17 Å²	17	44.6 Å²	44.6	18%	0.175	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.3	-174.1	0	0	0	0	0	113.3	F565 T566	F565-G632 CarbonylContact C-O 3.51Å; T566-G632 VanDerWaalsContact CB-O 3.3Å; T566-G632 WeakPolarHBondContact CB-O 3.47Å; T566-G632 PolarHBondContact N-O 3.11Å; T566-G632 PolarHBondContact O-N 3.39Å
633	Y	93.5	Very high	85.3	Confident	3 Å²	3	45.7 Å²	45.7	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.8	-167.8	-63.1	-107.8	0	0	0	108.7	S523 L524 V551 M555 T564 F565 I608 E631	S523-Y633 CarbonylContact C-O 3.56Å; S523-Y633 WeakPolarHBondContact CA-O 3.39Å; S523-Y633 VanDerWaalsContact CB-O 3.24Å; S523-Y633 WeakPolarHBondContact CB-O 3.4Å; L524-Y633 PolarHBondContact N-O 3.11Å; L524-Y633 WeakPolarHBondContact O-CB 3.3Å; L524-Y633 PolarHBondContact O-N 3.3Å; V551-Y633 HydrophobicContact CB-CD2 4.4Å; V551-Y633 HydrophobicContact CB-CE2 3.8Å; V551-Y633 HydrophobicContact CG1-CD1 3.98Å; V551-Y633 HydrophobicContact CG1-CD2 3.35Å; V551-Y633 HydrophobicContact CG1-CE1 3.77Å; V551-Y633 HydrophobicContact CG1-CE2 3.17Å; V551-Y633 HydrophobicContact CG1-CG 3.8Å; V551-Y633 VanDerWaalsContact CG1-CZ 3.42Å; V551-Y633 HydrophobicContact CG2-CD2 4.32Å; V551-Y633 HydrophobicContact CG2-CE2 3.61Å; M555-Y633 HydrophobicContact CE-CD1 4.46Å; M555-Y633 HydrophobicContact SD-CD1 3.76Å; M555-Y633 HydrophobicContact SD-CE1 4.27Å; M555-Y633 HydrophobicContact SD-CG 4.2Å; T564-Y633 WeakPolarHBondContact O-CA 3.31Å; F565-Y633 AromaticContact CD1-CD1 3.55Å; F565-Y633 HydrophobicContact CD1-CD1 3.55Å; F565-Y633 AromaticContact CD1-CE1 3.35Å; F565-Y633 HydrophobicContact CD1-CE1 3.35Å; F565-Y633 AromaticContact CE1-CD1 3.59Å; F565-Y633 HydrophobicContact CE1-CD1 3.59Å; F565-Y633 AromaticContact CE1-CE1 3.56Å; F565-Y633 HydrophobicContact CE1-CE1 3.56Å; I608-Y633 HydrophobicContact CD1-CE1 4.19Å; I608-Y633 HydrophobicContact CG1-CE1 4.22Å; I608-Y633 HydrophobicContact CG2-CE1 3.7Å; I608-Y633 WeakPolarHBondContact CG2-OH 3.35Å; E631-Y633 HydrophobicContact CB-CE2 3.58Å; E631-Y633 PolarHBondContact OE2-OH 3.32Å
634	G	93	Very high	82.3	Confident	16 Å²	16	52.4 Å²	52.4	17%	0.165	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.5	-173.6	0	0	0	0	0	112.7	R563 T564	R563-G634 PolarHBondContact N-O 3.16Å; T564-G634 PolarHBondContact N-O 3.22Å; T564-G634 PolarHBondContact O-N 3.06Å
635	R	91.2	Very high	79.2	Confident	155 Å²	155	54.7 Å²	54.7	59%	0.585	31%	0.31	S	S	*	.	S	Bend	trans	53.8	60.3	-164.4	-55.1	-177.8	-175.1	-166.9	-0.9	109.3	R563 T564 H601	R563-R635 HydrophobicContact CB-CB 4.27Å; R563-R635 PolarHBondContact N-O 2.75Å; T564-R635 WeakPolarHBondContact OG1-CD 3.43Å; T564-R635 PolarHBondContact OG1-NE 2.85Å; H601-R635 PolarHBondContact CD2-O 3.03Å
636	L	92.7	Very high	76.1	Confident	33 Å²	33	57 Å²	57	17%	0.173	33%	0.333	C	S	.	.			trans	-74.7	144.7	178.6	-59.2	-175.1	0	0	0	110.5	K521 L524 V560 E561	K521-L636 HydrophobicContact CG-CD1 4.15Å; L524-L636 HydrophobicContact CB-CD1 4.25Å; V560-L636 HydrophobicContact CG2-CD1 4.45Å; E561-L636 CarbonylContact O-C 3.44Å; E561-L636 VanDerWaalsContact O-CA 3.28Å; E561-L636 WeakPolarHBondContact O-CA 3.41Å
637	K	91.7	Very high	72.9	Confident	104 Å²	104	62.4 Å²	62.4	45%	0.452	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.2	171.2	-173.3	-153.7	165.8	-160.9	0	108.3	V560 E561	V560-K637 WeakPolarHBondContact CA-O 3.32Å; E561-K637 PolarHBondContact N-O 2.95Å; E561-K637 PolarHBondContact O-N 2.86Å
638	A	86.9	Confident	69.5	Low	69 Å²	69	73 Å²	73	57%	0.57	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	138.1	170.1	0	0	0	0	0	111.3	S559	S559-A638 CarbonylContact O-C 3.57Å; S559-A638 WeakPolarHBondContact O-CA 3.36Å
639	T	82.1	Confident	66.4	Low	45 Å²	45	79.1 Å²	79.1	28%	0.276	45%	0.445	S	S	.	.			trans	-73.4	136.8	173	-53.9	0	0	0	0	109.3	S559 A641	S559-T639 PolarHBondContact O-N 3.46Å; S559-T639 PolarHBondContact O-OG1 2.91Å; T639-A641 PolarHBondContact O-N 3.32Å
640	S	58.7	Low	63	Low	91 Å²	91	86.9 Å²	86.9	64%	0.636	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	15.4	-170.9	51.5	0	0	0	0	115.8
641	A	51.8	Low	59.7	Low	60 Å²	60	95 Å²	95	50%	0.496	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-41	177.3	0	0	0	0	0	112.3	T639 L643 N644	T639-A641 PolarHBondContact O-N 3.32Å; A641-L643 VanDerWaalsContact C-N 3.28Å; A641-L643 PolarHBondContact O-N 2.72Å; A641-N644 PolarHBondContact O-N 2.89Å
642	D	45.5	Very low	56.5	Low	87 Å²	87	103.9 Å²	103.9	47%	0.465	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	-9.6	-170.1	-66.3	-25.7	0	0	0	114.4	S559 N644	S559-D642 WeakPolarHBondContact CB-OD2 3.48Å; S559-D642 PolarHBondContact OG-OD2 3.4Å; D642-N644 PolarHBondContact O-N 3.32Å
643	L	41.3	Very low	53.3	Low	151 Å²	151	109.4 Å²	109.4	79%	0.791	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-19.6	175.4	-70.3	177.6	0	0	0	113.3	A641	A641-L643 VanDerWaalsContact C-N 3.28Å; A641-L643 PolarHBondContact O-N 2.72Å
644	N	32.6	Very low	50.2	Low	151 Å²	151	115.1 Å²	115.1	81%	0.807	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	-9.5	178.8	-71.5	-23.6	0	0	0	113.9	A641 D642	A641-N644 PolarHBondContact O-N 2.89Å; D642-N644 PolarHBondContact O-N 3.32Å
645	N	31.5	Very low	47	Very low	127 Å²	127	121 Å²	121	68%	0.679	65%	0.654	S	S	*	*			trans	-128.5	53.7	-174	-94.9	-2.8	0	0	0	112.1
646	A	30	Very low	44.1	Very low	82 Å²	82	118.8 Å²	118.8	68%	0.678	66%	0.658	S	S	*	*			trans	-59.4	132.3	158.5	0	0	0	0	0	108.7	R648	A646-R648 PolarHBondContact O-N 3.42Å
647	P	29.8	Very low	40.9	Very low	112 Å²	112	125.2 Å²	125.2	73%	0.727	69%	0.692	S	S	*	*			trans	-65.5	110.8	-177.7	25.6	-33.4	0	0	0	109.9	V649	P647-V649 VanDerWaalsContact C-N 3.31Å; P647-V649 PolarHBondContact O-N 2.93Å
648	R	25.9	Very low	37.9	Very low	228 Å²	228	126.3 Å²	126.3	86%	0.86	71%	0.707	S	S	*	*			trans	-64.5	97.6	159	-78.9	-175.7	172.9	-179	-2.4	107.3	A646 E650	A646-R648 PolarHBondContact O-N 3.42Å; R648-E650 PolarHBondContact O-N 3.49Å; R648-E650 VanDerWaalsContact O-N 3.16Å
649	V	31.8	Very low	35	Very low	128 Å²	128	129.2 Å²	129.2	78%	0.776	72%	0.718	S	S	*	*			trans	-68.1	105.3	160.1	-179.6	0	0	0	0	105.6	P647	P647-V649 VanDerWaalsContact C-N 3.31Å; P647-V649 PolarHBondContact O-N 2.93Å
650	E	27	Very low	32.3	Very low	163 Å²	163	134 Å²	134	76%	0.762	75%	0.747	S	S	*	*			trans	-69.3	134.8	175.4	-61.3	-169	139.9	0	0	109.1	R648 E652	R648-E650 PolarHBondContact O-N 3.49Å; R648-E650 VanDerWaalsContact O-N 3.16Å; E650-E652 VanDerWaalsContact C-N 3.29Å; E650-E652 PolarHBondContact O-N 3.36Å
651	E	26.7	Very low	30.9	Very low	173 Å²	173	134.4 Å²	134.4	81%	0.808	75%	0.75	S	S	*	*			trans	-80.6	69.6	-170.5	-64.4	-173	137.9	0	0	112	N653	E651-N653 PolarHBondContact O-N 3.46Å; E651-N653 PolarHBondContact O-ND2 2.99Å
652	E	28.1	Very low	29.7	Very low	186 Å²	186	138.6 Å²	138.6	87%	0.869	76%	0.764	S	S	*	*			trans	-69.2	83	165.9	-72.2	-145.6	129.6	0	0	110.6	E650 T654	E650-E652 VanDerWaalsContact C-N 3.29Å; E650-E652 PolarHBondContact O-N 3.36Å; E652-T654 PolarHBondContact O-N 3.05Å
653	N	27.2	Very low	28.9	Very low	133 Å²	133	143 Å²	143	71%	0.711	79%	0.786	S	S	*	*			trans	-64.8	98.6	175.1	-79.1	-84.6	0	0	0	111.2	E651	E651-N653 PolarHBondContact O-N 3.46Å; E651-N653 PolarHBondContact O-ND2 2.99Å
654	T	28.4	Very low	28.2	Very low	123 Å²	123	138.9 Å²	138.9	76%	0.755	78%	0.78	S	S	*	*			trans	-129.8	100.9	156.3	33.9	0	0	0	0	111.2	E652	E652-T654 PolarHBondContact O-N 3.05Å
655	V	26.7	Very low	27.9	Very low	141 Å²	141	140 Å²	140	86%	0.855	79%	0.786	S	S	*	*			trans	-84.3	108.6	164.8	175.6	0	0	0	0	107.9
656	T	29.5	Very low	27.8	Very low	108 Å²	108	138.5 Å²	138.5	66%	0.663	79%	0.791	S	S	*	*			trans	-142.5	124.9	167.9	39.3	0	0	0	0	111.3	V658	T656-V658 PolarHBondContact O-N 2.93Å
657	D	26.3	Very low	27.7	Very low	167 Å²	167	139.3 Å²	139.3	89%	0.893	80%	0.798	S	S	*	*			trans	-66.9	121.8	163.6	-66.9	-75.7	0	0	0	109.5
658	V	27.8	Very low	27.6	Very low	127 Å²	127	139.8 Å²	139.8	77%	0.77	80%	0.802	S	S	*	*			trans	-135.1	132.3	169	-171.1	0	0	0	0	111.2	T656	T656-V658 PolarHBondContact O-N 2.93Å
659	T	26.9	Very low	27.8	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	81%	0.805	S	S	*	*			trans	-79.2	169.1	-176.5	43.9	0	0	0	0	114.4	S661	T659-S661 PolarHBondContact O-N 2.88Å
660	V	25.2	Very low	27.4	Very low	145 Å²	145	139.9 Å²	139.9	88%	0.879	81%	0.808	S	S	*	*			trans	-64.9	119.7	178.5	178.2	0	0	0	0	113.2
661	S	28.8	Very low	27.5	Very low	100 Å²	100	138.9 Å²	138.9	70%	0.699	80%	0.803	S	S	*	*			trans	-167.8	114.3	149.9	56.9	0	0	0	0	115.6	T659	T659-S661 PolarHBondContact O-N 2.88Å
662	N	26.9	Very low	27.6	Very low	147 Å²	147	138.4 Å²	138.4	79%	0.786	80%	0.799	S	S	*	*			trans	40	145.7	137.8	-68.9	-18	0	0	0	124.6
663	L	29.4	Very low	27.5	Very low	180 Å²	180	137.6 Å²	137.6	94%	0.942	80%	0.795	S	S	*	*			trans	74.6	149.9	162.7	-54.2	133.7	0	0	0	116.1
664	G	25.8	Very low	27.6	Very low	64 Å²	64	142.3 Å²	142.3	66%	0.66	80%	0.803	S	S	*	*			cis	163.1	130.9	-13.4	0	0	0	0	0	115.2
665	N	26.3	Very low	27.5	Very low	174 Å²	174	140.3 Å²	140.3	93%	0.93	80%	0.798	S	S	*	*			trans	76.3	155.8	165.2	-65	-19.4	0	0	0	121.9
666	A	30.2	Very low	27.6	Very low	96 Å²	96	139.5 Å²	139.5	79%	0.793	80%	0.799	S	S	*	*			trans	86.5	81.5	151.3	0	0	0	0	0	121.9
667	A	27.6	Very low	27.6	Very low	99 Å²	99	138.4 Å²	138.4	82%	0.818	81%	0.809	S	S	*	*				33.9	142.8	128.6	0	0	0	0	0	123.7
668	P	27.4	Very low	27.6	Very low	123 Å²	123	136 Å²	136	80%	0.799	81%	0.806	S	S	*	*			trans	-97.2	177.6	-179.8	41.1	-37.5	0	0	0	115
669	L	29	Very low	27.8	Very low	177 Å²	177	136.5 Å²	136.5	93%	0.927	81%	0.809	S	S	*	*			trans	-130.2	151.3	166.3	-78.7	171.8	0	0	0	111.8
670	E	25.1	Very low	27.7	Very low	180 Å²	180	134.7 Å²	134.7	84%	0.841	81%	0.807	S	S	*	*			trans	-85.5	-177.4	173.5	-52.6	170.5	131.4	0	0	109.3
671	E	27.5	Very low	28	Very low	142 Å²	142	133.5 Å²	133.5	66%	0.664	81%	0.805	S	S	*	*			cis	-172.8	179.2	25	-149.8	-161	142.4	0	0	111.5
672	K	29.5	Very low	27.8	Very low	164 Å²	164	136.2 Å²	136.2	71%	0.713	81%	0.812	S	S	*	*			trans	86.2	157.1	153.1	-79.3	168.7	169.5	64.3	0	121.5
673	E	26.8	Very low	27.9	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	82%	0.819	S	S	*	*			trans	-124.4	-172.6	-155.5	-28.9	155.9	98.3	0	0	113.7
674	R	28.3	Very low	27.8	Very low	232 Å²	232	141.4 Å²	141.4	88%	0.875	81%	0.814	S	S	*	*			trans	105.2	149.3	156.2	-60.8	177.6	-179.3	-173.4	-1.5	116.7
675	A	27	Very low	27.7	Very low	80 Å²	80	143.8 Å²	143.8	66%	0.661	82%	0.821	S	S	*	*			cis	-168.3	153.2	-25.5	0	0	0	0	0	110.8
676	S	27.6	Very low	27.8	Very low	125 Å²	125	145.2 Å²	145.2	87%	0.874	82%	0.819	S	S	*	*			trans	47.5	119	152	60.6	0	0	0	0	121.1
677	G	29.9	Very low	27.6	Very low	85 Å²	85	149.5 Å²	149.5	88%	0.876	82%	0.822	S	S	*	*			trans	-148.1	125.7	160.6	0	0	0	0	0	111.1
678	S	27.3	Very low	27.5	Very low	117 Å²	117	153.1 Å²	153.1	82%	0.818	83%	0.827	S	S	*	*			trans	-104.1	149.6	-176.4	177.9	0	0	0	0	111.6
679	T	30.5	Very low	27.4	Very low	136 Å²	136	155.6 Å²	155.6	83%	0.834	83%	0.828	S	S	*	*				-178.4	151.4	124.2	-73	0	0	0	0	110
680	A	26.1	Very low	27.3	Very low	93 Å²	93	153.1 Å²	153.1	77%	0.769	82%	0.824	S	S	*	*			trans	-107.5	160.2	-174.5	0	0	0	0	0	113.9
681	S	31	Very low	27.4	Very low	120 Å²	120	153.6 Å²	153.6	84%	0.839	83%	0.826	S	S	*	*			trans	-156.1	158.5	149.3	61	0	0	0	0	111.3
682	N	25.8	Very low	27.6	Very low	157 Å²	157	150.5 Å²	150.5	84%	0.84	83%	0.825	S	S	*	*			trans	-87.7	150.3	-172.3	-58.3	-76.1	0	0	0	112.3
683	F	28.6	Very low	28	Very low	213 Å²	213	148.7 Å²	148.7	93%	0.934	82%	0.823	S	S	*	*			trans	-148.1	157.6	134.8	-131.3	-90.1	0	0	0	113
684	R	26.5	Very low	28.8	Very low	223 Å²	223	148 Å²	148	84%	0.842	82%	0.818	S	S	*	*			trans	-85.8	138	-168.7	-83.2	175.3	165.1	168	-6.1	114.4
685	S	24.7	Very low	29.6	Very low	114 Å²	114	144.8 Å²	144.8	80%	0.797	81%	0.812	S	S	*	*			trans	25.8	112.1	136.1	-47.1	0	0	0	0	119.5
686	K	28.2	Very low	30.4	Very low	204 Å²	204	145.5 Å²	145.5	89%	0.887	81%	0.808	S	S	*	*			trans	-128	138.3	136.2	-83.3	-170.3	174.8	-178.7	0	109.5
687	Q	24.5	Very low	31.5	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	79%	0.787	S	S	*	*			trans	-74.2	135.1	168.4	-70.5	156.2	-95.2	0	0	108.8
688	L	25.9	Very low	32.9	Very low	174 Å²	174	144.2 Å²	144.2	91%	0.911	77%	0.771	S	S	*	*			trans	-122.7	118.1	160.4	-94.7	154.2	0	0	0	106.3
689	Q	26.6	Very low	34.1	Very low	175 Å²	175	142.6 Å²	142.6	82%	0.818	77%	0.765	S	S	*	*			trans	-77.1	148.4	177.5	-68.6	169.7	-73.8	0	0	108.7	E691	Q689-E691 PolarHBondContact O-N 3.02Å; Q689-E691 VanDerWaalsContact O-N 3.14Å
690	C	25.6	Very low	34.7	Very low	125 Å²	125	138.7 Å²	138.7	85%	0.845	74%	0.739	S	S	*	*			trans	-71.8	107.7	171.5	-170.3	0	0	0	0	108.2	A692	C690-A692 PolarHBondContact O-N 2.87Å
691	E	27.5	Very low	36	Very low	191 Å²	191	137.8 Å²	137.8	89%	0.893	73%	0.725	S	S	*	*			trans	-65	125.6	165.5	-66.6	-179.8	127.4	0	0	108	Q689	Q689-E691 PolarHBondContact O-N 3.02Å; Q689-E691 VanDerWaalsContact O-N 3.14Å
692	A	32.8	Very low	37.3	Very low	77 Å²	77	137.7 Å²	137.7	64%	0.636	71%	0.711	S	S	*	*			trans	-113.7	137.3	167.4	0	0	0	0	0	106.4	C690 K694	C690-A692 PolarHBondContact O-N 2.87Å; A692-K694 PolarHBondContact O-N 3.46Å
693	D	36.8	Very low	38.6	Very low	125 Å²	125	133.5 Å²	133.5	67%	0.668	69%	0.694	S	S	*	*			trans	-53	107.3	-159.6	-58.7	-65.5	0	0	0	113.5	E695 V696	D693-E695 VanDerWaalsContact C-N 3.26Å; D693-E695 PolarHBondContact O-N 3.36Å; D693-V696 HydrophobicContact CB-CB 4.27Å; D693-V696 HydrophobicContact CB-CG2 3.72Å; D693-V696 WeakPolarHBondContact O-CB 2.83Å; D693-V696 PolarHBondContact O-N 2.98Å
694	K	43.5	Very low	39.6	Very low	156 Å²	156	127 Å²	127	68%	0.678	67%	0.669	S	S	*	*	H	α-helix	trans	-62.9	-36.1	-176	-157	-180	-179.5	-173	0	111.6	A692 V696 L697 D698	A692-K694 PolarHBondContact O-N 3.46Å; K694-V696 PolarHBondContact O-N 3.28Å; K694-L697 PolarHBondContact O-N 2.82Å; K694-D698 PolarHBondContact O-N 3.46Å
695	E	44.4	Very low	41.1	Very low	163 Å²	163	119.6 Å²	119.6	76%	0.762	64%	0.641	S	S	*	*	H	α-helix	trans	-56.7	-32.3	174.1	-58.5	-172.4	145.1	0	0	113	D693 A699	D693-E695 VanDerWaalsContact C-N 3.26Å; D693-E695 PolarHBondContact O-N 3.36Å; E695-A699 WeakPolarHBondContact O-CB 3.18Å; E695-A699 PolarHBondContact O-N 3.38Å
696	V	45.6	Very low	42.6	Very low	96 Å²	96	120 Å²	120	58%	0.582	63%	0.63	S	S	*	*	H	α-helix	trans	-76.1	-26	178.8	-178.7	0	0	0	0	111.7	D693 K694 L700	D693-V696 HydrophobicContact CB-CB 4.27Å; D693-V696 HydrophobicContact CB-CG2 3.72Å; D693-V696 WeakPolarHBondContact O-CB 2.83Å; D693-V696 PolarHBondContact O-N 2.98Å; K694-V696 PolarHBondContact O-N 3.28Å; V696-L700 WeakPolarHBondContact O-CG 3.49Å
697	L	50.4	Low	43.7	Very low	83 Å²	83	117 Å²	117	44%	0.435	62%	0.617	S	S	.	*	H	α-helix	trans	-82.9	-33.7	172.1	-78.2	162.9	0	0	0	112.4	K694 R705	K694-L697 PolarHBondContact O-N 2.82Å; L697-R705 PolarHBondContact O-NH1 2.78Å; L697-R705 VanDerWaalsContact O-NH1 3.08Å
698	D	58.6	Low	44.7	Very low	99 Å²	99	111.1 Å²	111.1	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-74.1	-31.9	178.7	-68.9	-27.5	0	0	0	111.7	K694 L700 R705	K694-D698 PolarHBondContact O-N 3.46Å; D698-L700 VanDerWaalsContact C-N 3.27Å; D698-L700 PolarHBondContact O-N 3.37Å; D698-R705 PolarHBondContact O-NH1 3.27Å
699	A	52.2	Low	45.9	Very low	84 Å²	84	107.1 Å²	107.1	69%	0.694	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-1.9	174.7	0	0	0	0	0	115.8	E695	E695-A699 WeakPolarHBondContact O-CB 3.18Å; E695-A699 PolarHBondContact O-N 3.38Å
700	L	42.8	Very low	46.9	Very low	53 Å²	53	106.1 Å²	106.1	28%	0.277	57%	0.569	S	S	.	*	S	Bend	trans	-91	138	178.2	-74.3	169.5	0	0	0	112.2	V696 D698 I704 R705 L708	V696-L700 WeakPolarHBondContact O-CG 3.49Å; D698-L700 VanDerWaalsContact C-N 3.27Å; D698-L700 PolarHBondContact O-N 3.37Å; L700-I704 HydrophobicContact CD2-CG2 4.23Å; L700-R705 PolarHBondContact O-NH1 3.5Å; L700-L708 HydrophobicContact CD1-CD1 3.69Å
701	P	54.3	Low	47.7	Very low	75 Å²	75	106.5 Å²	106.5	49%	0.487	56%	0.562	S	S	.	*			trans	-57.2	144	173.1	-25.3	33.9	0	0	0	113.2	S703 I704 R705	P701-S703 VanDerWaalsContact C-N 3.28Å; P701-S703 PolarHBondContact O-N 2.91Å; P701-S703 VanDerWaalsContact O-N 3.09Å; P701-I704 HydrophobicContact CG-CD1 4.41Å; P701-I704 PolarHBondContact O-N 3.37Å; P701-R705 PolarHBondContact O-N 2.9Å
702	E	58.4	Low	48.3	Very low	117 Å²	117	104.2 Å²	104.2	55%	0.547	56%	0.555	S	S	.	*	H	α-helix	trans	-35.4	-55.4	176.6	-113.9	58.1	-117	0	0	113.6	I704 R705 E706	E702-I704 PolarHBondContact O-N 3.03Å; E702-I704 VanDerWaalsContact O-N 3.09Å; E702-R705 VanDerWaalsContact CD-NH2 3.32Å; E702-R705 WeakPolarHBondContact O-CB 3.32Å; E702-R705 PolarHBondContact O-N 3.14Å; E702-R705 VanDerWaalsContact O-N 3.12Å; E702-R705 IonicContact OE1-CZ 2.76Å; E702-R705 IonicContact OE1-NE 2.83Å; E702-R705 PolarHBondContact OE1-NE 3.03Å; E702-R705 IonicContact OE1-NH2 3.92Å; E702-R705 PolarHBondContact OE1-NH2 3.22Å; E702-R705 IonicContact OE2-NH2 2.65Å; E702-R705 PolarHBondContact OE2-NH2 3.15Å; E702-E706 WeakPolarHBondContact O-CG 3.24Å; E702-E706 PolarHBondContact O-N 3.3Å
703	S	52.8	Low	48.7	Very low	69 Å²	69	104.3 Å²	104.3	48%	0.483	56%	0.556	S	S	.	*	H	α-helix	trans	-71.6	-4.2	-173.7	63.3	0	0	0	0	115.3	P701 K707	P701-S703 VanDerWaalsContact C-N 3.28Å; P701-S703 PolarHBondContact O-N 2.91Å; P701-S703 VanDerWaalsContact O-N 3.09Å; S703-K707 VanDerWaalsContact O-CD 3.28Å; S703-K707 WeakPolarHBondContact O-CD 3.41Å; S703-K707 WeakPolarHBondContact O-CE 3.46Å
704	I	48.4	Very low	48.9	Very low	78 Å²	78	102.3 Å²	102.3	40%	0.4	56%	0.557	S	S	.	*	H	α-helix	trans	-106	-41	170.3	-59.4	179.2	0	0	0	109.7	L700 P701 E702 K707 L708	L700-I704 HydrophobicContact CD2-CG2 4.23Å; P701-I704 HydrophobicContact CG-CD1 4.41Å; P701-I704 PolarHBondContact O-N 3.37Å; E702-I704 PolarHBondContact O-N 3.03Å; E702-I704 VanDerWaalsContact O-N 3.09Å; I704-K707 PolarHBondContact O-N 3.13Å; I704-L708 HydrophobicContact CG2-CD1 4.03Å; I704-L708 PolarHBondContact O-N 3.15Å
705	R	59.8	Low	48.4	Very low	66 Å²	66	102.9 Å²	102.9	25%	0.249	57%	0.567	C	S	.	*	H	α-helix	trans	-53.8	-52.9	173	170.3	155	54.8	-134.9	5.6	111.4	L697 D698 L700 P701 E702 K707 L708 T709	L697-R705 PolarHBondContact O-NH1 2.78Å; L697-R705 VanDerWaalsContact O-NH1 3.08Å; D698-R705 PolarHBondContact O-NH1 3.27Å; L700-R705 PolarHBondContact O-NH1 3.5Å; P701-R705 PolarHBondContact O-N 2.9Å; E702-R705 VanDerWaalsContact CD-NH2 3.32Å; E702-R705 WeakPolarHBondContact O-CB 3.32Å; E702-R705 PolarHBondContact O-N 3.14Å; E702-R705 VanDerWaalsContact O-N 3.12Å; E702-R705 IonicContact OE1-CZ 2.76Å; E702-R705 IonicContact OE1-NE 2.83Å; E702-R705 PolarHBondContact OE1-NE 3.03Å; E702-R705 IonicContact OE1-NH2 3.92Å; E702-R705 PolarHBondContact OE1-NH2 3.22Å; E702-R705 IonicContact OE2-NH2 2.65Å; E702-R705 PolarHBondContact OE2-NH2 3.15Å; R705-K707 VanDerWaalsContact C-N 3.33Å; R705-K707 PolarHBondContact O-N 3.32Å; R705-L708 PolarHBondContact O-N 3.43Å; R705-T709 PolarHBondContact O-N 3.48Å; R705-T709 PolarHBondContact O-OG1 3.44Å
706	E	54.4	Low	47.7	Very low	123 Å²	123	97.7 Å²	97.7	58%	0.575	56%	0.558	S	S	*	*	H	α-helix	trans	-56.9	-41.7	177.6	-69.3	176.3	149	0	0	113.3	E702 T709 H710	E702-E706 WeakPolarHBondContact O-CG 3.24Å; E702-E706 PolarHBondContact O-N 3.3Å; E706-T709 PolarHBondContact O-N 3.06Å; E706-H710 PolarHBondContact O-N 3.01Å
707	K	51.8	Low	46.9	Very low	140 Å²	140	100.1 Å²	100.1	61%	0.609	57%	0.573	S	S	*	*	H	α-helix	trans	-70	-36	-178.9	-70.5	178	-175.1	158	0	112.4	S703 I704 R705 L711	S703-K707 VanDerWaalsContact O-CD 3.28Å; S703-K707 WeakPolarHBondContact O-CD 3.41Å; S703-K707 WeakPolarHBondContact O-CE 3.46Å; I704-K707 PolarHBondContact O-N 3.13Å; R705-K707 VanDerWaalsContact C-N 3.33Å; R705-K707 PolarHBondContact O-N 3.32Å; K707-L711 VanDerWaalsContact O-CG 3.31Å; K707-L711 WeakPolarHBondContact O-CG 3.41Å; K707-L711 PolarHBondContact O-N 3.24Å; K707-L711 VanDerWaalsContact O-N 3.12Å
708	L	46.3	Very low	46	Very low	65 Å²	65	101.2 Å²	101.2	34%	0.34	59%	0.594	S	S	.	*	H	α-helix	trans	-68.9	-42.2	174.2	-74.8	166	0	0	0	111.3	L700 I704 R705 H710 L711 L712	L700-L708 HydrophobicContact CD1-CD1 3.69Å; I704-L708 HydrophobicContact CG2-CD1 4.03Å; I704-L708 PolarHBondContact O-N 3.15Å; R705-L708 PolarHBondContact O-N 3.43Å; L708-H710 VanDerWaalsContact C-N 3.34Å; L708-H710 PolarHBondContact O-N 3.39Å; L708-L711 PolarHBondContact O-N 2.9Å; L708-L712 WeakPolarHBondContact O-CB 3.25Å; L708-L712 VanDerWaalsContact O-CG 3.32Å; L708-L712 WeakPolarHBondContact O-CG 3.41Å; L708-L712 PolarHBondContact O-N 2.89Å
709	T	50.8	Low	44.7	Very low	89 Å²	89	106.4 Å²	106.4	55%	0.546	61%	0.612	S	S	.	*	H	α-helix	trans	-59.1	-44.2	175.1	-49.2	0	0	0	0	111.6	R705 E706 L711 L712 A713	R705-T709 PolarHBondContact O-N 3.48Å; R705-T709 PolarHBondContact O-OG1 3.44Å; E706-T709 PolarHBondContact O-N 3.06Å; T709-L711 PolarHBondContact O-N 3.15Å; T709-L712 PolarHBondContact O-N 3.15Å; T709-A713 WeakPolarHBondContact O-CB 3.44Å; T709-A713 PolarHBondContact O-N 2.96Å; T709-A713 VanDerWaalsContact O-N 3.13Å
710	H	48.4	Very low	43.5	Very low	154 Å²	154	114.1 Å²	114.1	71%	0.713	62%	0.623	S	S	*	*	H	α-helix	trans	-65.8	-34.3	176.7	-96.1	-76.4	0	0	0	114.2	E706 L708	E706-H710 PolarHBondContact O-N 3.01Å; L708-H710 VanDerWaalsContact C-N 3.34Å; L708-H710 PolarHBondContact O-N 3.39Å
711	L	42.6	Very low	42.9	Very low	134 Å²	134	121.5 Å²	121.5	70%	0.702	65%	0.653	S	S	*	*	H	α-helix	trans	-77.2	-28.8	177.9	-73.2	168.8	0	0	0	113	K707 L708 T709	K707-L711 VanDerWaalsContact O-CG 3.31Å; K707-L711 WeakPolarHBondContact O-CG 3.41Å; K707-L711 PolarHBondContact O-N 3.24Å; K707-L711 VanDerWaalsContact O-N 3.12Å; L708-L711 PolarHBondContact O-N 2.9Å; T709-L711 PolarHBondContact O-N 3.15Å
712	L	40.1	Very low	41.5	Very low	142 Å²	142	129.1 Å²	129.1	74%	0.743	67%	0.672	S	S	*	*	H	α-helix	trans	-85.6	-18.5	179.1	-67.9	169.3	0	0	0	113.5	L708 T709	L708-L712 WeakPolarHBondContact O-CB 3.25Å; L708-L712 VanDerWaalsContact O-CG 3.32Å; L708-L712 WeakPolarHBondContact O-CG 3.41Å; L708-L712 PolarHBondContact O-N 2.89Å; T709-L712 PolarHBondContact O-N 3.15Å
713	A	41	Very low	40.1	Very low	80 Å²	80	128.8 Å²	128.8	66%	0.661	68%	0.679	S	S	*	*	S	Bend	trans	-85.9	-7.4	177.8	0	0	0	0	0	114.6	T709	T709-A713 WeakPolarHBondContact O-CB 3.44Å; T709-A713 PolarHBondContact O-N 2.96Å; T709-A713 VanDerWaalsContact O-N 3.13Å
714	A	40.6	Very low	39	Very low	82 Å²	82	134 Å²	134	68%	0.678	70%	0.696	S	S	*	*	S	Bend	trans	-87	-14.5	-167.2	0	0	0	0	0	115.7
715	D	33.5	Very low	38	Very low	168 Å²	168	137.8 Å²	137.8	90%	0.898	71%	0.712	S	S	*	*	S	Bend	trans	-107.2	58.6	-171	-153.8	5	0	0	0	111.7
716	G	28.5	Very low	36.6	Very low	55 Å²	55	143.3 Å²	143.3	57%	0.567	74%	0.741	S	S	*	*			trans	-154.7	103.9	-169.1	0	0	0	0	0	116.2
717	T	29.9	Very low	35.3	Very low	147 Å²	147	145.2 Å²	145.2	90%	0.902	75%	0.75	S	S	*	*			trans	71.6	115.9	164.1	74	0	0	0	0	119.2
718	A	31.8	Very low	34.2	Very low	105 Å²	105	146 Å²	146	87%	0.868	76%	0.76	S	S	*	*			trans	-146.8	139.6	153.5	0	0	0	0	0	109.4
719	K	30.6	Very low	33.3	Very low	208 Å²	208	148 Å²	148	90%	0.904	78%	0.779	S	S	*	*			trans	-106.5	120.8	-167.9	-72.2	178.1	-178.9	171.3	0	114.4
720	R	26	Very low	32.2	Very low	247 Å²	247	152.8 Å²	152.8	93%	0.932	80%	0.795	S	S	*	*			trans	-12.7	123.3	151.1	-170.8	-174.1	-165.4	-174.3	5	116.9
721	K	30.1	Very low	31.8	Very low	208 Å²	208	150.8 Å²	150.8	90%	0.904	80%	0.796	S	S	*	*			trans	-143	159.4	153.1	-91.4	-169.7	175.6	-178	0	110.7
722	R	26.1	Very low	31.4	Very low	235 Å²	235	150.6 Å²	150.6	89%	0.887	80%	0.803	S	S	*	*			trans	-144.5	145.4	-179.6	-114	-171.5	-179.8	-172.9	-0.6	109.5
723	P	29.4	Very low	30.7	Very low	109 Å²	109	152.8 Å²	152.8	71%	0.708	81%	0.809	S	S	*	*				-110.3	150.6	127.1	-6.3	26.8	0	0	0	109.2
724	Q	29.1	Very low	30.2	Very low	178 Å²	178	158.2 Å²	158.2	83%	0.832	82%	0.821	S	S	*	*				67.2	137.8	60.3	-67.9	179.5	-41.5	0	0	114.6
725	Q	27.4	Very low	29.6	Very low	159 Å²	159	160.7 Å²	160.7	74%	0.743	83%	0.827	S	S	*	*			cis	173	116.8	-41.6	163.4	178.2	6.2	0	0	109.5
726	Q	30.5	Very low	29.4	Very low	181 Å²	181	156.7 Å²	156.7	85%	0.846	82%	0.818	S	S	*	*			trans	-179.7	135.6	162.9	-100.8	149.4	1.8	0	0	106.5
727	Q	27.2	Very low	29.4	Very low	164 Å²	164	163 Å²	163	77%	0.766	83%	0.833	S	S	*	*			cis	65.4	129.4	48.1	-71.3	-175.7	-41.6	0	0	112.9
728	L	27.9	Very low	29.1	Very low	156 Å²	156	162.4 Å²	162.4	82%	0.817	83%	0.829	S	S	*	*			cis	-125.2	-160.1	9.2	-139.2	64.9	0	0	0	109.5
729	S	28.5	Very low	28.9	Very low	107 Å²	107	166.8 Å²	166.8	75%	0.748	83%	0.831	S	S	*	*			cis	-160.4	-175.8	0.2	46.3	0	0	0	0	110.4
730	E	26.5	Very low	28.7	Very low	189 Å²	189	162.2 Å²	162.2	88%	0.883	83%	0.825	S	S	*	*			trans	-118.3	173.9	177.8	-98.4	-178.2	162.1	0	0	113.2
731	P	40.9	Very low	28.8	Very low	113 Å²	113	160.1 Å²	160.1	73%	0.734	83%	0.826	S	S	*	*			trans	-106.5	-172.8	-159.2	42.9	-38.5	0	0	0	115.5
732	P	33	Very low	28.7	Very low	129 Å²	129	156 Å²	156	84%	0.838	82%	0.823	S	S	*	*			trans	-126.2	171.4	151.2	39	-27.4	0	0	0	114.4
733	E	26.6	Very low	28.7	Very low	188 Å²	188	150.2 Å²	150.2	88%	0.879	82%	0.819	S	S	*	*			trans	-94.4	158.1	-179.7	-54.1	164.7	117.3	0	0	112.4
734	E	30.6	Very low	28.7	Very low	194 Å²	194	154.1 Å²	154.1	91%	0.907	83%	0.828	S	S	*	*			trans	-160.2	178.4	137.2	-122.7	172.2	-168.9	0	0	112.3
735	V	28.2	Very low	28.7	Very low	134 Å²	134	151 Å²	151	81%	0.812	82%	0.823	S	S	*	*			trans	-125.7	163.3	-142.2	-170	0	0	0	0	114.5
736	A	27.7	Very low	28.6	Very low	84 Å²	84	150.5 Å²	150.5	69%	0.694	83%	0.825	S	S	*	*			trans	86.3	147.9	166.4	0	0	0	0	0	116.5
737	E	29.1	Very low	28.6	Very low	189 Å²	189	147.6 Å²	147.6	88%	0.883	82%	0.82	S	S	*	*			cis	-143.5	170.8	1.6	-144.3	155.8	-130.3	0	0	111.8
738	T	23.9	Very low	28.6	Very low	134 Å²	134	148.4 Å²	148.4	82%	0.822	82%	0.824	S	S	*	*			trans	-87.5	138.7	-168.8	48.4	0	0	0	0	115.2
739	E	28.4	Very low	28.5	Very low	196 Å²	196	146.3 Å²	146.3	92%	0.916	82%	0.821	S	S	*	*			trans	-151.6	166.1	130.9	-122.1	171.3	-146.4	0	0	111.1
740	S	24.7	Very low	28.6	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	82%	0.823	S	S	*	*			trans	-120.3	130.6	-152.5	60.9	0	0	0	0	115.9
741	E	28.4	Very low	29.1	Very low	204 Å²	204	144.8 Å²	144.8	95%	0.953	82%	0.819	S	S	*	*			trans	-153	157	146.4	-123.3	170.8	-153.2	0	0	112
742	S	28.7	Very low	29.3	Very low	120 Å²	120	147.5 Å²	147.5	84%	0.839	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-91.2	141.3	-161	56.7	0	0	0	0	115.2
743	S	26.5	Very low	29.9	Very low	114 Å²	114	144.2 Å²	144.2	80%	0.797	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-92.7	138.6	-177	48.4	0	0	0	0	115
744	E	28.5	Very low	30.9	Very low	191 Å²	191	138.6 Å²	138.6	89%	0.893	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-91.3	130.2	169.3	-72.4	-161.7	141.4	0	0	112.5	N746	E744-N746 PolarHBondContact O-N 2.91Å
745	P	30.1	Very low	31.9	Very low	113 Å²	113	134.6 Å²	134.6	73%	0.734	76%	0.762	S	S	*	*			trans	-82.4	100.2	168.7	31.3	-31.4	0	0	0	111.5	T747	P745-T747 PolarHBondContact O-N 2.86Å; P745-T747 VanDerWaalsContact O-N 3.09Å; P745-T747 PolarHBondContact O-OG1 3.22Å
746	N	24.9	Very low	32.9	Very low	148 Å²	148	131.9 Å²	131.9	79%	0.791	75%	0.747	S	S	*	*			trans	-43.2	108.1	177.9	-175.8	-0.2	0	0	0	113.8	E744	E744-N746 PolarHBondContact O-N 2.91Å
747	T	29.9	Very low	34	Very low	120 Å²	120	133.3 Å²	133.3	74%	0.736	75%	0.752	S	S	*	*			trans	-124.8	96.2	-176.8	-56	0	0	0	0	111.3	P745 C749	P745-T747 PolarHBondContact O-N 2.86Å; P745-T747 VanDerWaalsContact O-N 3.09Å; P745-T747 PolarHBondContact O-OG1 3.22Å; T747-C749 PolarHBondContact O-N 3.13Å
748	Q	28	Very low	35.3	Very low	181 Å²	181	130.7 Å²	130.7	85%	0.846	74%	0.74	S	S	*	*			trans	-71.1	95.1	177.5	-72.9	-171.2	-10.6	0	0	112.2	S750	Q748-S750 PolarHBondContact O-N 3.43Å
749	C	26.1	Very low	37	Very low	112 Å²	112	126.8 Å²	126.8	76%	0.757	71%	0.713	S	S	*	*			trans	-78.3	110.2	173.9	-164.7	0	0	0	0	111.3	T747 L751	T747-C749 PolarHBondContact O-N 3.13Å; C749-L751 PolarHBondContact O-N 3.31Å
750	S	30.6	Very low	38.6	Very low	111 Å²	111	121.7 Å²	121.7	78%	0.776	69%	0.692	S	S	*	*			trans	-76.4	107.3	177.4	-171.6	0	0	0	0	111.3	Q748 L752	Q748-S750 PolarHBondContact O-N 3.43Å; S750-L752 PolarHBondContact O-N 3.35Å
751	L	36.4	Very low	40.7	Very low	153 Å²	153	122.3 Å²	122.3	80%	0.801	68%	0.683	S	S	*	*			trans	-72.6	103.6	178.9	-78	164.8	0	0	0	111.7	C749 I753	C749-L751 PolarHBondContact O-N 3.31Å; L751-I753 PolarHBondContact O-N 3.18Å; L751-I753 VanDerWaalsContact O-N 3.08Å
752	L	44.3	Very low	42.8	Very low	170 Å²	170	119.4 Å²	119.4	89%	0.89	67%	0.669	S	S	*	*			trans	-70.6	96.1	166.9	-81.9	163.9	0	0	0	110.4	S750	S750-L752 PolarHBondContact O-N 3.35Å
753	I	45.7	Very low	44.7	Very low	61 Å²	61	117.6 Å²	117.6	31%	0.313	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-74.5	131.1	172.3	-60.4	178.5	0	0	0	109.3	L751	L751-I753 PolarHBondContact O-N 3.18Å; L751-I753 VanDerWaalsContact O-N 3.08Å
754	P	48.4	Very low	46.7	Very low	69 Å²	69	113.6 Å²	113.6	45%	0.448	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-56.8	164.2	178.4	-25.9	34.8	0	0	0	114.8	Q758	P754-Q758 HydrophobicContact CB-CB 3.73Å
755	E	51.9	Low	48.9	Very low	111 Å²	111	109.8 Å²	109.8	52%	0.519	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-63.9	152.9	171	-83.2	-64.7	120.2	0	0	111.3	S757 Q758	E755-S757 PolarHBondContact O-N 2.86Å; E755-Q758 HydrophobicContact CB-CG 4.27Å; E755-Q758 WeakPolarHBondContact O-CB 3.43Å; E755-Q758 PolarHBondContact O-N 3.14Å
756	P	48.1	Very low	51.3	Low	76 Å²	76	112.4 Å²	112.4	49%	0.494	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-59.8	-19.4	-176.9	-25.3	35.8	0	0	0	114.9	Q758	P756-Q758 VanDerWaalsContact C-N 3.28Å
757	S	52	Low	53.5	Low	114 Å²	114	107.6 Å²	107.6	80%	0.797	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-80.4	-2.3	173.5	53.8	0	0	0	0	114.4	E755	E755-S757 PolarHBondContact O-N 2.86Å
758	Q	55.4	Low	55.7	Low	135 Å²	135	105.4 Å²	105.4	63%	0.631	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-114.6	-0.9	-177.7	-54.7	-178.2	-68	0	0	113	P754 E755 P756	P754-Q758 HydrophobicContact CB-CB 3.73Å; E755-Q758 HydrophobicContact CB-CG 4.27Å; E755-Q758 WeakPolarHBondContact O-CB 3.43Å; E755-Q758 PolarHBondContact O-N 3.14Å; P756-Q758 VanDerWaalsContact C-N 3.28Å
759	I	60.6	Low	57.6	Low	51 Å²	51	102.1 Å²	102.1	26%	0.262	55%	0.554	S	S	.	*			trans	-94.5	116.9	177.4	-59.4	177.6	0	0	0	108.2	Q761 L764 I779	I759-Q761 PolarHBondContact O-N 3.29Å; I759-L764 HydrophobicContact CG2-CB 4.31Å; I759-I779 HydrophobicContact CD1-CD1 4.11Å
760	D	62.2	Low	59.5	Low	90 Å²	90	101.1 Å²	101.1	48%	0.481	55%	0.548	S	S	.	.			trans	-71.5	126.3	171.6	-170.2	-33.4	0	0	0	109.7	Q762 V763 L764	D760-Q762 VanDerWaalsContact C-N 3.25Å; D760-Q762 PolarHBondContact O-N 3.44Å; D760-Q762 PolarHBondContact OD1-N 3.45Å; D760-V763 HydrophobicContact CB-CB 4.17Å; D760-V763 HydrophobicContact CB-CG2 3.87Å; D760-V763 PolarHBondContact O-N 2.91Å; D760-V763 VanDerWaalsContact O-N 3.14Å; D760-L764 PolarHBondContact O-N 2.93Å; D760-L764 VanDerWaalsContact O-N 3.09Å
761	Q	68.9	Low	61.3	Low	125 Å²	125	99.5 Å²	99.5	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-53.8	-41.7	178.8	-174.4	75.7	29.8	0	0	111.6	I759 V763 L764 E765	I759-Q761 PolarHBondContact O-N 3.29Å; Q761-V763 VanDerWaalsContact C-N 3.34Å; Q761-V763 PolarHBondContact O-N 2.99Å; Q761-L764 PolarHBondContact O-N 3.31Å; Q761-E765 WeakPolarHBondContact CG-OE1 3.49Å; Q761-E765 PolarHBondContact NE2-OE1 2.84Å; Q761-E765 WeakPolarHBondContact O-CG 3.37Å; Q761-E765 PolarHBondContact O-N 2.89Å; Q761-E765 VanDerWaalsContact O-N 3.16Å
762	Q	72.4	Confident	63.2	Low	142 Å²	142	96.5 Å²	96.5	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-67.5	-36.2	-179.1	-62.1	-173.6	-11.3	0	0	111.7	D760 E765 E766	D760-Q762 VanDerWaalsContact C-N 3.25Å; D760-Q762 PolarHBondContact O-N 3.44Å; D760-Q762 PolarHBondContact OD1-N 3.45Å; Q762-E765 PolarHBondContact O-N 3.44Å; Q762-E766 PolarHBondContact O-N 3.49Å
763	V	68.1	Low	64.7	Low	82 Å²	82	94.6 Å²	94.6	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-71.3	-33.2	177.6	178.8	0	0	0	0	111.2	D760 Q761 E765 L767	D760-V763 HydrophobicContact CB-CB 4.17Å; D760-V763 HydrophobicContact CB-CG2 3.87Å; D760-V763 PolarHBondContact O-N 2.91Å; D760-V763 VanDerWaalsContact O-N 3.14Å; Q761-V763 VanDerWaalsContact C-N 3.34Å; Q761-V763 PolarHBondContact O-N 2.99Å; V763-E765 VanDerWaalsContact C-N 3.31Å; V763-L767 WeakPolarHBondContact O-CG 3.23Å; V763-L767 PolarHBondContact O-N 3.35Å
764	L	68.6	Low	66	Low	30 Å²	30	98.6 Å²	98.6	16%	0.157	51%	0.507	C	S	.	.	H	α-helix	trans	-67.2	-33.6	173.7	-170.2	67.8	0	0	0	112	I759 D760 Q761 L767 R772 I775	I759-L764 HydrophobicContact CG2-CB 4.31Å; D760-L764 PolarHBondContact O-N 2.93Å; D760-L764 VanDerWaalsContact O-N 3.09Å; Q761-L764 PolarHBondContact O-N 3.31Å; L764-L767 HydrophobicContact CD1-CD1 4.5Å; L764-R772 HydrophobicContact CD1-CG 4.37Å; L764-R772 HydrophobicContact CG-CG 4.34Å; L764-R772 WeakPolarHBondContact O-CD 3.47Å; L764-R772 WeakPolarHBondContact O-CG 3.25Å; L764-R772 PolarHBondContact O-NE 3.44Å; L764-I775 HydrophobicContact CD1-CB 4.47Å; L764-I775 HydrophobicContact CD1-CG2 4Å
765	E	74.2	Confident	67.1	Low	111 Å²	111	96.9 Å²	96.9	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-75.3	-39	179.1	-72.6	165.4	-165	0	0	112.3	Q761 Q762 V763 L767 R772	Q761-E765 WeakPolarHBondContact CG-OE1 3.49Å; Q761-E765 PolarHBondContact NE2-OE1 2.84Å; Q761-E765 WeakPolarHBondContact O-CG 3.37Å; Q761-E765 PolarHBondContact O-N 2.89Å; Q761-E765 VanDerWaalsContact O-N 3.16Å; Q762-E765 PolarHBondContact O-N 3.44Å; V763-E765 VanDerWaalsContact C-N 3.31Å; E765-L767 PolarHBondContact O-N 2.89Å; E765-R772 PolarHBondContact O-NH2 3.05Å; E765-R772 VanDerWaalsContact O-NH2 3.08Å
766	E	79.8	Confident	68.1	Low	168 Å²	168	94.1 Å²	94.1	79%	0.785	49%	0.485	S	S	*	.	H	α-helix	trans	-66	-18.4	173.9	-75	-169.6	171.2	0	0	114.2	Q762	Q762-E766 PolarHBondContact O-N 3.49Å
767	L	72.1	Confident	69.4	Low	48 Å²	48	98.4 Å²	98.4	25%	0.251	49%	0.491	S	S	.	.	S	Bend	trans	-69.5	143.1	-177.8	-80.7	171.6	0	0	0	113.4	V763 L764 E765 I771 R772 I775	V763-L767 WeakPolarHBondContact O-CG 3.23Å; V763-L767 PolarHBondContact O-N 3.35Å; L764-L767 HydrophobicContact CD1-CD1 4.5Å; E765-L767 PolarHBondContact O-N 2.89Å; L767-I771 HydrophobicContact CD1-CG2 4.32Å; L767-I771 HydrophobicContact CD2-CG2 4.27Å; L767-R772 PolarHBondContact O-NE 2.96Å; L767-R772 PolarHBondContact O-NH2 3.45Å; L767-I775 HydrophobicContact CD1-CD1 3.63Å
768	P	76.9	Confident	70.2	Confident	74 Å²	74	97 Å²	97	48%	0.481	47%	0.472	S	S	.	.			trans	-51.9	140.5	171.1	-27.6	35	0	0	0	112.6	S770 I771 R772	P768-S770 VanDerWaalsContact C-N 3.26Å; P768-S770 PolarHBondContact O-N 3.44Å; P768-S770 VanDerWaalsContact O-N 3.14Å; P768-I771 HydrophobicContact CB-CD1 4.4Å; P768-I771 HydrophobicContact CB-CG1 4.48Å; P768-I771 HydrophobicContact CG-CD1 4.25Å; P768-I771 WeakPolarHBondContact O-CA 3.45Å; P768-I771 PolarHBondContact O-N 2.83Å; P768-R772 PolarHBondContact O-N 3.19Å
769	E	67.9	Low	70.8	Confident	111 Å²	111	92.3 Å²	92.3	52%	0.519	45%	0.451	S	S	.	.	H	α-helix	trans	-60	-34.1	-167.2	-157.2	-168.3	153.2	0	0	113.6	R772 K773	E769-R772 PolarHBondContact O-N 2.85Å; E769-K773 HydrophobicContact CG-CD 4.29Å; E769-K773 WeakPolarHBondContact O-CB 3.46Å; E769-K773 WeakPolarHBondContact O-CG 3.31Å; E769-K773 PolarHBondContact O-N 2.69Å; E769-K773 WeakPolarHBondContact OE1-CE 3.38Å; E769-K773 IonicContact OE1-NZ 3.65Å; E769-K773 PolarHBondContact OE1-NZ 3.19Å
770	S	64.4	Low	71.3	Confident	91 Å²	91	95.1 Å²	95.1	64%	0.636	46%	0.463	S	S	*	.	H	α-helix	trans	-63	-39.4	174.1	54.4	0	0	0	0	112.9	P768 K774	P768-S770 VanDerWaalsContact C-N 3.26Å; P768-S770 PolarHBondContact O-N 3.44Å; P768-S770 VanDerWaalsContact O-N 3.14Å; S770-K774 WeakPolarHBondContact O-CB 3.35Å; S770-K774 PolarHBondContact O-N 3.16Å
771	I	69.6	Low	71.6	Confident	78 Å²	78	95.9 Å²	95.9	40%	0.4	46%	0.463	S	S	.	.	H	α-helix	trans	-75.4	-44.5	176.8	-58.9	178.2	0	0	0	109.7	L767 P768 K773 K774 I775	L767-I771 HydrophobicContact CD1-CG2 4.32Å; L767-I771 HydrophobicContact CD2-CG2 4.27Å; P768-I771 HydrophobicContact CB-CD1 4.4Å; P768-I771 HydrophobicContact CB-CG1 4.48Å; P768-I771 HydrophobicContact CG-CD1 4.25Å; P768-I771 WeakPolarHBondContact O-CA 3.45Å; P768-I771 PolarHBondContact O-N 2.83Å; I771-K773 PolarHBondContact O-N 3.07Å; I771-K774 WeakPolarHBondContact O-CB 3.34Å; I771-K774 PolarHBondContact O-N 2.96Å; I771-I775 HydrophobicContact CG2-CD1 3.89Å; I771-I775 HydrophobicContact CG2-CG1 4.41Å; I771-I775 WeakPolarHBondContact O-CG1 3.45Å; I771-I775 PolarHBondContact O-N 2.91Å
772	R	76.5	Confident	71.2	Confident	90 Å²	90	95.9 Å²	95.9	34%	0.34	46%	0.462	S	S	.	.	H	α-helix	trans	-55.6	-50.3	177.6	-161.8	-171.1	-49.5	144.4	6	111.4	L764 E765 L767 P768 E769 K774 I775 V776	L764-R772 HydrophobicContact CD1-CG 4.37Å; L764-R772 HydrophobicContact CG-CG 4.34Å; L764-R772 WeakPolarHBondContact O-CD 3.47Å; L764-R772 WeakPolarHBondContact O-CG 3.25Å; L764-R772 PolarHBondContact O-NE 3.44Å; E765-R772 PolarHBondContact O-NH2 3.05Å; E765-R772 VanDerWaalsContact O-NH2 3.08Å; L767-R772 PolarHBondContact O-NE 2.96Å; L767-R772 PolarHBondContact O-NH2 3.45Å; P768-R772 PolarHBondContact O-N 3.19Å; E769-R772 PolarHBondContact O-N 2.85Å; R772-K774 VanDerWaalsContact C-N 3.31Å; R772-K774 PolarHBondContact O-N 2.88Å; R772-I775 PolarHBondContact O-N 2.94Å; R772-V776 WeakPolarHBondContact O-CG2 3.45Å; R772-V776 PolarHBondContact O-N 2.96Å
773	K	74.5	Confident	70.7	Confident	129 Å²	129	97.4 Å²	97.4	56%	0.561	46%	0.461	S	S	*	.	H	α-helix	trans	-59.8	-37	174.9	-76.3	170.3	169	170	0	112.6	E769 I771 R777	E769-K773 HydrophobicContact CG-CD 4.29Å; E769-K773 WeakPolarHBondContact O-CB 3.46Å; E769-K773 WeakPolarHBondContact O-CG 3.31Å; E769-K773 PolarHBondContact O-N 2.69Å; E769-K773 WeakPolarHBondContact OE1-CE 3.38Å; E769-K773 IonicContact OE1-NZ 3.65Å; E769-K773 PolarHBondContact OE1-NZ 3.19Å; I771-K773 PolarHBondContact O-N 3.07Å; K773-R777 VanDerWaalsContact O-CB 3.24Å; K773-R777 WeakPolarHBondContact O-CB 3.18Å; K773-R777 PolarHBondContact O-N 2.97Å
774	K	73.3	Confident	70.3	Confident	145 Å²	145	96.3 Å²	96.3	63%	0.63	46%	0.461	S	S	*	.	H	α-helix	trans	-69	-40.8	178.7	-157.1	172.7	-172.3	178.3	0	112.3	S770 I771 R772 Q778	S770-K774 WeakPolarHBondContact O-CB 3.35Å; S770-K774 PolarHBondContact O-N 3.16Å; I771-K774 WeakPolarHBondContact O-CB 3.34Å; I771-K774 PolarHBondContact O-N 2.96Å; R772-K774 VanDerWaalsContact C-N 3.31Å; R772-K774 PolarHBondContact O-N 2.88Å; K774-Q778 WeakPolarHBondContact O-CG 3.28Å; K774-Q778 PolarHBondContact O-N 2.64Å
775	I	70.9	Confident	69.6	Low	33 Å²	33	103.1 Å²	103.1	17%	0.169	49%	0.489	C	S	.	.	H	α-helix	trans	-67.9	-49.9	175.9	-67	170.2	0	0	0	110.8	L764 L767 I771 R772 R777 Q778 I779	L764-I775 HydrophobicContact CD1-CB 4.47Å; L764-I775 HydrophobicContact CD1-CG2 4Å; L767-I775 HydrophobicContact CD1-CD1 3.63Å; I771-I775 HydrophobicContact CG2-CD1 3.89Å; I771-I775 HydrophobicContact CG2-CG1 4.41Å; I771-I775 WeakPolarHBondContact O-CG1 3.45Å; I771-I775 PolarHBondContact O-N 2.91Å; R772-I775 PolarHBondContact O-N 2.94Å; I775-R777 VanDerWaalsContact C-N 3.35Å; I775-R777 PolarHBondContact O-N 2.65Å; I775-Q778 PolarHBondContact O-N 3.46Å; I775-Q778 VanDerWaalsContact O-N 3.1Å; I775-I779 HydrophobicContact CG2-CD1 3.88Å; I775-I779 WeakPolarHBondContact O-CG1 3.28Å; I775-I779 PolarHBondContact O-N 3.43Å
776	V	73.9	Confident	68.5	Low	53 Å²	53	101 Å²	101	32%	0.321	49%	0.491	S	S	.	.	H	α-helix	trans	-56.7	-48.3	178.7	171	0	0	0	0	110.8	R772 Q778 I779 E780	R772-V776 WeakPolarHBondContact O-CG2 3.45Å; R772-V776 PolarHBondContact O-N 2.96Å; V776-Q778 VanDerWaalsContact C-N 3.27Å; V776-Q778 PolarHBondContact O-N 2.84Å; V776-I779 WeakPolarHBondContact O-CB 3.44Å; V776-I779 PolarHBondContact O-N 2.83Å; V776-E780 HydrophobicContact CG1-CG 4.38Å; V776-E780 WeakPolarHBondContact O-CG 3.36Å; V776-E780 PolarHBondContact O-N 3.08Å
777	R	75	Confident	67	Low	166 Å²	166	99.1 Å²	99.1	63%	0.626	49%	0.485	S	S	*	.	H	α-helix	trans	-59.8	-33.5	177.6	-170.6	175.1	-176.3	178.9	2.1	113.4	K773 I775 Q781	K773-R777 VanDerWaalsContact O-CB 3.24Å; K773-R777 WeakPolarHBondContact O-CB 3.18Å; K773-R777 PolarHBondContact O-N 2.97Å; I775-R777 VanDerWaalsContact C-N 3.35Å; I775-R777 PolarHBondContact O-N 2.65Å; R777-Q781 WeakPolarHBondContact O-CB 3.31Å; R777-Q781 WeakPolarHBondContact O-CG 3.33Å; R777-Q781 PolarHBondContact O-N 3.42Å
778	Q	69.7	Low	65.6	Low	86 Å²	86	103.5 Å²	103.5	40%	0.402	51%	0.509	S	S	.	.	H	α-helix	trans	-75.7	-32.8	175.4	-75.6	-178.2	-16.4	0	0	112.9	K774 I775 V776 K782	K774-Q778 WeakPolarHBondContact O-CG 3.28Å; K774-Q778 PolarHBondContact O-N 2.64Å; I775-Q778 PolarHBondContact O-N 3.46Å; I775-Q778 VanDerWaalsContact O-N 3.1Å; V776-Q778 VanDerWaalsContact C-N 3.27Å; V776-Q778 PolarHBondContact O-N 2.84Å; Q778-K782 PolarHBondContact O-N 3.32Å
779	I	67.5	Low	63.9	Low	36 Å²	36	107.3 Å²	107.3	19%	0.185	53%	0.525	C	S	.	.	H	α-helix	trans	-65.8	-43.7	170.8	-66	167.2	0	0	0	110.1	I759 I775 V776 K782 R783	I759-I779 HydrophobicContact CD1-CD1 4.11Å; I775-I779 HydrophobicContact CG2-CD1 3.88Å; I775-I779 WeakPolarHBondContact O-CG1 3.28Å; I775-I779 PolarHBondContact O-N 3.43Å; V776-I779 WeakPolarHBondContact O-CB 3.44Å; V776-I779 PolarHBondContact O-N 2.83Å; I779-K782 PolarHBondContact O-N 2.82Å; I779-R783 WeakPolarHBondContact O-CG 3.35Å; I779-R783 PolarHBondContact O-N 3.09Å
780	E	71.1	Confident	62.4	Low	109 Å²	109	111.2 Å²	111.2	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-61.8	-44.7	174.7	-70.2	168.5	162.6	0	0	111.9	V776 K782 R783 A784	V776-E780 HydrophobicContact CG1-CG 4.38Å; V776-E780 WeakPolarHBondContact O-CG 3.36Å; V776-E780 PolarHBondContact O-N 3.08Å; E780-K782 PolarHBondContact O-N 3.27Å; E780-R783 PolarHBondContact O-N 2.89Å; E780-A784 WeakPolarHBondContact O-CB 3.15Å; E780-A784 PolarHBondContact O-N 3.04Å
781	Q	67.8	Low	61.1	Low	106 Å²	106	113 Å²	113	50%	0.495	54%	0.543	S	S	.	.	H	α-helix	trans	-63.2	-38.3	175.3	-77	172.6	-20.4	0	0	112.9	R777 K785	R777-Q781 WeakPolarHBondContact O-CB 3.31Å; R777-Q781 WeakPolarHBondContact O-CG 3.33Å; R777-Q781 PolarHBondContact O-N 3.42Å; Q781-K785 PolarHBondContact O-N 3.03Å; Q781-K785 VanDerWaalsContact O-N 3.09Å
782	K	62	Low	59.6	Low	126 Å²	126	114.3 Å²	114.3	55%	0.548	56%	0.556	S	S	.	*	H	α-helix	trans	-64.1	-42.6	171	-81.8	-173.3	174	-174.4	0	111.6	Q778 I779 E780 A786	Q778-K782 PolarHBondContact O-N 3.32Å; I779-K782 PolarHBondContact O-N 2.82Å; E780-K782 PolarHBondContact O-N 3.27Å; K782-A786 WeakPolarHBondContact O-CB 3.34Å; K782-A786 PolarHBondContact O-N 2.97Å; K782-A786 VanDerWaalsContact O-N 3.09Å
783	R	60.9	Low	58.3	Low	174 Å²	174	120.3 Å²	120.3	66%	0.657	58%	0.579	S	S	*	*	H	α-helix	trans	-63.3	-45.6	176.7	-76.5	176.9	174.4	-178.6	-1.4	112	I779 E780 A786 L787	I779-R783 WeakPolarHBondContact O-CG 3.35Å; I779-R783 PolarHBondContact O-N 3.09Å; E780-R783 PolarHBondContact O-N 2.89Å; R783-A786 PolarHBondContact O-N 3.23Å; R783-A786 VanDerWaalsContact O-N 3.17Å; R783-L787 WeakPolarHBondContact O-CB 3.25Å; R783-L787 PolarHBondContact O-N 3.42Å; R783-L787 VanDerWaalsContact O-N 3.17Å
784	A	59.6	Low	57.3	Low	59 Å²	59	116.5 Å²	116.5	49%	0.488	56%	0.564	S	S	.	*	H	α-helix	trans	-60.3	-49	177.6	0	0	0	0	0	111.6	E780 A786 L787 D788	E780-A784 WeakPolarHBondContact O-CB 3.15Å; E780-A784 PolarHBondContact O-N 3.04Å; A784-A786 PolarHBondContact O-N 3.42Å; A784-L787 PolarHBondContact O-N 3.25Å; A784-D788 PolarHBondContact O-N 3.04Å
785	K	54.2	Low	56.9	Low	173 Å²	173	116.9 Å²	116.9	75%	0.752	57%	0.568	S	S	*	*	H	α-helix	trans	-61.6	-27.1	175.2	-78.5	-162.9	170.6	-166.1	0	114.1	Q781 L787	Q781-K785 PolarHBondContact O-N 3.03Å; Q781-K785 VanDerWaalsContact O-N 3.09Å; K785-L787 VanDerWaalsContact C-N 3.33Å
786	A	50.1	Low	56.9	Low	67 Å²	67	116.2 Å²	116.2	55%	0.554	56%	0.564	S	S	*	*	H	α-helix	trans	-83.1	-7.9	175.3	0	0	0	0	0	114.1	K782 R783 A784	K782-A786 WeakPolarHBondContact O-CB 3.34Å; K782-A786 PolarHBondContact O-N 2.97Å; K782-A786 VanDerWaalsContact O-N 3.09Å; R783-A786 PolarHBondContact O-N 3.23Å; R783-A786 VanDerWaalsContact O-N 3.17Å; A784-A786 PolarHBondContact O-N 3.42Å
787	L	49.4	Very low	56.5	Low	128 Å²	128	116 Å²	116	67%	0.67	56%	0.564	S	S	*	*	H	α-helix	trans	-107.1	-36.2	-176.9	-165.8	68.3	0	0	0	112.3	R783 A784 K785 D789 R790	R783-L787 WeakPolarHBondContact O-CB 3.25Å; R783-L787 PolarHBondContact O-N 3.42Å; R783-L787 VanDerWaalsContact O-N 3.17Å; A784-L787 PolarHBondContact O-N 3.25Å; K785-L787 VanDerWaalsContact C-N 3.33Å; L787-D789 VanDerWaalsContact C-N 3.31Å; L787-D789 PolarHBondContact O-N 3.12Å; L787-R790 CarbonylContact O-C 3.58Å; L787-R790 PolarHBondContact O-N 3.31Å
788	D	42.7	Very low	56.2	Low	139 Å²	139	109 Å²	109	74%	0.743	54%	0.538	S	S	*	.	H	α-helix	trans	-62	-37.8	-179.6	-150	24.5	0	0	0	112	A784 R790	A784-D788 PolarHBondContact O-N 3.04Å; D788-R790 PolarHBondContact O-N 3.13Å
789	D	40.1	Very low	55.9	Low	154 Å²	154	107.6 Å²	107.6	82%	0.824	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	5.5	173.8	-114.6	-6.3	0	0	0	114	L787	L787-D789 VanDerWaalsContact C-N 3.31Å; L787-D789 PolarHBondContact O-N 3.12Å
790	R	37.9	Very low	55.4	Low	194 Å²	194	108.8 Å²	108.8	73%	0.732	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.9	51.6	-171.3	-66.9	-171.1	173.7	-168.4	-0	114.6	L787 D788 P792	L787-R790 CarbonylContact O-C 3.58Å; L787-R790 PolarHBondContact O-N 3.31Å; D788-R790 PolarHBondContact O-N 3.13Å; R790-P792 WeakPolarHBondContact O-CD 3.35Å
791	T	36.1	Very low	54.5	Low	129 Å²	129	111 Å²	111	79%	0.791	56%	0.557	S	S	*	*			trans	-72.9	110.9	161.3	29.3	0	0	0	0	110.5
792	P	38.7	Very low	54.1	Low	105 Å²	105	110.7 Å²	110.7	68%	0.682	56%	0.559	S	S	*	*			trans	-79.1	133.1	-176.3	-11	29.5	0	0	0	110.8	R790	R790-P792 WeakPolarHBondContact O-CD 3.35Å
793	R	49.1	Very low	53.9	Low	215 Å²	215	104.7 Å²	104.7	81%	0.811	53%	0.533	S	S	*	.			trans	-59.7	138.2	159.5	-74.1	-175.8	171.8	-169.8	-3.5	108.4	E795	R793-E795 HydrophobicContact CB-CG 4.2Å; R793-E795 PolarHBondContact O-N 3.43Å
794	L	53.9	Low	53.9	Low	49 Å²	49	102.1 Å²	102.1	26%	0.257	52%	0.524	S	S	.	.			trans	-83	71.8	-178.6	-163	68.9	0	0	0	110.6	I823 Y859 E862 K866	L794-I823 HydrophobicContact CD2-CD1 3.88Å; L794-I823 HydrophobicContact CD2-CG1 4.47Å; L794-Y859 HydrophobicContact CB-CE2 4.47Å; L794-Y859 HydrophobicContact CD1-CD2 4.38Å; L794-Y859 HydrophobicContact CD1-CE2 4.24Å; L794-Y859 HydrophobicContact CD2-CD2 4.4Å; L794-Y859 HydrophobicContact CD2-CE2 3.96Å; L794-Y859 HydrophobicContact CG-CD2 4.08Å; L794-Y859 HydrophobicContact CG-CE2 3.51Å; L794-Y859 WeakPolarHBondContact O-CE2 3.42Å; L794-Y859 PolarHBondContact O-OH 3.06Å; L794-E862 HydrophobicContact CD1-CB 4.03Å; L794-E862 HydrophobicContact CD1-CG 3.37Å; L794-E862 HydrophobicContact CD2-CB 4.31Å; L794-E862 HydrophobicContact CD2-CG 4.11Å; L794-E862 HydrophobicContact CG-CG 4.41Å; L794-K866 HydrophobicContact CD2-CD 4.29Å
795	E	63.6	Low	53.8	Low	154 Å²	154	106.2 Å²	106.2	72%	0.72	53%	0.533	S	S	*	.			trans	-69.4	129.5	-178.6	-63.3	-171.9	171	0	0	111.1	R793 Y859	R793-E795 HydrophobicContact CB-CG 4.2Å; R793-E795 PolarHBondContact O-N 3.43Å; E795-Y859 VanDerWaalsContact O-CE2 3.3Å; E795-Y859 WeakPolarHBondContact O-CE2 3.05Å
796	F	70.6	Confident	54.2	Low	19 Å²	19	106.5 Å²	106.5	8%	0.083	53%	0.529	C	S	.	.			trans	-62.6	132.3	-177.6	-169.5	-94.1	0	0	0	110.4	F798 F812 V815 K816 V819 M856 Y859	F796-F798 HydrophobicContact CD1-CD2 4.28Å; F796-F798 AromaticContact CE1-CD2 3.81Å; F796-F798 HydrophobicContact CE1-CD2 3.81Å; F796-F798 HydrophobicContact CE1-CE2 4.17Å; F796-F798 PolarHBondContact O-N 3.48Å; F796-F812 HydrophobicContact CD1-CZ 4.33Å; F796-F812 AromaticContact CE1-CE2 3.73Å; F796-F812 HydrophobicContact CE1-CE2 3.73Å; F796-F812 AromaticContact CE1-CZ 3.9Å; F796-F812 HydrophobicContact CE1-CZ 3.9Å; F796-V815 HydrophobicContact CZ-CG1 4.4Å; F796-K816 HydrophobicContact CB-CD 4.43Å; F796-K816 HydrophobicContact CB-CG 4.35Å; F796-K816 HydrophobicContact CD1-CB 4.2Å; F796-K816 HydrophobicContact CD1-CD 3.63Å; F796-K816 HydrophobicContact CD1-CG 3.68Å; F796-K816 HydrophobicContact CD2-CG 4.27Å; F796-K816 HydrophobicContact CE1-CB 3.93Å; F796-K816 HydrophobicContact CE1-CD 4.1Å; F796-K816 HydrophobicContact CE1-CG 3.95Å; F796-K816 HydrophobicContact CG-CD 4.13Å; F796-K816 HydrophobicContact CG-CG 3.84Å; F796-K816 HydrophobicContact CZ-CB 4.13Å; F796-K816 HydrophobicContact CZ-CG 4.39Å; F796-V819 HydrophobicContact CE2-CB 4.04Å; F796-V819 HydrophobicContact CE2-CG2 4.38Å; F796-M856 HydrophobicContact CZ-CE 4.13Å; F796-Y859 HydrophobicContact CB-CE2 4.42Å; F796-Y859 HydrophobicContact CD2-CD1 4.13Å; F796-Y859 AromaticContact CD2-CE1 3.64Å; F796-Y859 HydrophobicContact CD2-CE1 3.64Å; F796-Y859 AromaticContact CD2-CZ 3.88Å; F796-Y859 HydrophobicContact CE2-CD1 4.39Å; F796-Y859 HydrophobicContact CE2-CE1 4.21Å
797	P	65.5	Low	55.1	Low	47 Å²	47	104.4 Å²	104.4	31%	0.305	51%	0.508	S	S	.	.	S	Bend	trans	-71.5	5.6	-151.2	23.7	-34.7	0	0	0	117.6	N855 Y859	P797-N855 HydrophobicContact CB-CB 3.93Å; P797-N855 HydrophobicContact CG-CB 4.35Å; P797-Y859 HydrophobicContact CG-CD2 4.36Å; P797-Y859 HydrophobicContact CG-CG 4.31Å
798	F	68.7	Low	56.3	Low	20 Å²	20	102.5 Å²	102.5	9%	0.088	50%	0.499	C	S	.	.			trans	-131.5	142.9	-179.2	-38.8	-60.5	0	0	0	111.4	F796 V803 F812 K816 M852 N855 M856	F796-F798 HydrophobicContact CD1-CD2 4.28Å; F796-F798 AromaticContact CE1-CD2 3.81Å; F796-F798 HydrophobicContact CE1-CD2 3.81Å; F796-F798 HydrophobicContact CE1-CE2 4.17Å; F796-F798 PolarHBondContact O-N 3.48Å; F798-V803 HydrophobicContact CB-CG2 4.09Å; F798-F812 HydrophobicContact CB-CZ 4.12Å; F798-F812 AromaticContact CD2-CE2 3.85Å; F798-F812 HydrophobicContact CD2-CE2 3.85Å; F798-F812 HydrophobicContact CD2-CZ 4.16Å; F798-K816 PolarHBondContact O-NZ 3.08Å; F798-M852 HydrophobicContact CD1-CE 4.47Å; F798-M852 HydrophobicContact CD1-CG 3.77Å; F798-M852 HydrophobicContact CD2-CE 4.01Å; F798-M852 HydrophobicContact CE1-CB 4.17Å; F798-M852 HydrophobicContact CE1-CG 3.32Å; F798-M852 HydrophobicContact CE2-CE 4.12Å; F798-M852 HydrophobicContact CE2-CG 4.1Å; F798-M852 HydrophobicContact CG-CE 4.19Å; F798-M852 HydrophobicContact CG-CG 4.37Å; F798-M852 HydrophobicContact CZ-CB 4.42Å; F798-M852 HydrophobicContact CZ-CE 4.46Å; F798-M852 HydrophobicContact CZ-CG 3.5Å; F798-M852 VanDerWaalsContact CZ-O 3.25Å; F798-M852 WeakPolarHBondContact CZ-O 3.5Å; F798-N855 HydrophobicContact CE1-CB 3.98Å; F798-N855 HydrophobicContact CZ-CB 4.24Å; F798-M856 HydrophobicContact CE2-CG 3.46Å; F798-M856 VanDerWaalsContact CE2-CG 3.46Å; F798-M856 HydrophobicContact CE2-SD 4.02Å; F798-M856 HydrophobicContact CZ-CG 3.51Å
799	S	63.8	Low	57.9	Low	56 Å²	56	98.8 Å²	98.8	39%	0.392	48%	0.482	S	S	.	.			trans	-68.8	164.9	163	85.1	0	0	0	0	109.3	F801 D802	S799-F801 PolarHBondContact O-N 2.82Å; S799-F801 PolarHBondContact OG-N 2.75Å; S799-F801 VanDerWaalsContact OG-N 3.1Å; S799-D802 WeakPolarHBondContact CA-OD2 3.29Å; S799-D802 WeakPolarHBondContact CB-OD2 3.29Å; S799-D802 PolarHBondContact N-OD2 2.73Å; S799-D802 VanDerWaalsContact OG-CG 3.23Å; S799-D802 PolarHBondContact OG-N 3.44Å; S799-D802 PolarHBondContact OG-OD2 3.17Å
800	S	57.9	Low	59.8	Low	61 Å²	61	96 Å²	96	43%	0.427	47%	0.467	S	S	.	.	S	Bend	trans	-65.7	-23.8	170.9	49	0	0	0	0	112.7	Y804	S800-Y804 WeakPolarHBondContact O-CD2 3.34Å
801	F	52.3	Low	61.9	Low	155 Å²	155	88.8 Å²	88.8	68%	0.68	44%	0.442	S	S	*	.	H	α-helix	trans	-76.5	-34.5	-173.6	-150.5	-84.6	0	0	0	112.4	S799 V803	S799-F801 PolarHBondContact O-N 2.82Å; S799-F801 PolarHBondContact OG-N 2.75Å; S799-F801 VanDerWaalsContact OG-N 3.1Å; F801-V803 PolarHBondContact O-N 2.92Å; F801-V803 VanDerWaalsContact O-N 3.14Å
802	D	58.4	Low	64	Low	100 Å²	100	82.9 Å²	82.9	54%	0.535	41%	0.405	S	S	.	.	H	α-helix	trans	-67	-16.2	-175.8	-50.9	-60.8	0	0	0	113.5	S799	S799-D802 WeakPolarHBondContact CA-OD2 3.29Å; S799-D802 WeakPolarHBondContact CB-OD2 3.29Å; S799-D802 PolarHBondContact N-OD2 2.73Å; S799-D802 VanDerWaalsContact OG-CG 3.23Å; S799-D802 PolarHBondContact OG-N 3.44Å; S799-D802 PolarHBondContact OG-OD2 3.17Å
803	V	58	Low	66.1	Low	0 Å²	0	82.7 Å²	82.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-113.8	-36.2	-168.4	-169.2	0	0	0	0	112.6	F798 F801 E805 R806 F807 F812 F840 M852	F798-V803 HydrophobicContact CB-CG2 4.09Å; F801-V803 PolarHBondContact O-N 2.92Å; F801-V803 VanDerWaalsContact O-N 3.14Å; V803-E805 PolarHBondContact O-N 3.06Å; V803-E805 VanDerWaalsContact O-N 3.15Å; V803-R806 PolarHBondContact O-N 2.88Å; V803-F807 HydrophobicContact CG1-CB 3.76Å; V803-F807 HydrophobicContact CG1-CD2 4.18Å; V803-F807 HydrophobicContact CG1-CG 4.27Å; V803-F807 PolarHBondContact O-N 3.22Å; V803-F812 HydrophobicContact CB-CD1 4.11Å; V803-F812 HydrophobicContact CB-CD2 4.25Å; V803-F812 HydrophobicContact CB-CE1 4.29Å; V803-F812 HydrophobicContact CB-CE2 4.42Å; V803-F812 HydrophobicContact CB-CG 4.08Å; V803-F812 HydrophobicContact CB-CZ 4.44Å; V803-F812 HydrophobicContact CG1-CB 3.84Å; V803-F812 HydrophobicContact CG1-CD1 4.12Å; V803-F812 HydrophobicContact CG1-CD2 3.69Å; V803-F812 HydrophobicContact CG1-CE2 4.26Å; V803-F812 HydrophobicContact CG1-CG 3.59Å; V803-F812 HydrophobicContact CG2-CD1 4.32Å; V803-F812 HydrophobicContact CG2-CD2 4.08Å; V803-F812 HydrophobicContact CG2-CE1 4.05Å; V803-F812 HydrophobicContact CG2-CE2 3.79Å; V803-F812 HydrophobicContact CG2-CG 4.33Å; V803-F812 HydrophobicContact CG2-CZ 3.77Å; V803-F840 HydrophobicContact CG1-CZ 4.45Å; V803-M852 HydrophobicContact CB-CE 4.43Å; V803-M852 HydrophobicContact CG1-CE 4.16Å; V803-M852 HydrophobicContact CG2-CE 3.53Å
804	Y	60.4	Low	67.8	Low	120 Å²	120	73.9 Å²	73.9	47%	0.471	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-12.4	-176.9	-64.5	-17.1	0	0	0	114.8	S800 R806 P809 F812	S800-Y804 WeakPolarHBondContact O-CD2 3.34Å; Y804-R806 VanDerWaalsContact C-N 3.34Å; Y804-P809 HydrophobicContact CD1-CB 3.71Å; Y804-P809 HydrophobicContact CD1-CG 3.9Å; Y804-P809 HydrophobicContact CE1-CB 3.63Å; Y804-P809 HydrophobicContact CE1-CG 4.34Å; Y804-P809 HydrophobicContact CG-CG 4.41Å; Y804-F812 HydrophobicContact CE1-CD1 4.24Å
805	E	58.7	Low	69.4	Low	145 Å²	145	71.5 Å²	71.5	68%	0.678	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.4	173.4	-73.7	-161.9	164.2	0	0	113.4	V803	V803-E805 PolarHBondContact O-N 3.06Å; V803-E805 VanDerWaalsContact O-N 3.15Å
806	R	62.5	Low	70.4	Confident	179 Å²	179	67.5 Å²	67.5	68%	0.675	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.7	-7.2	-166.7	-61	-172.5	-166.8	-173.3	-4.6	117.2	V803 Y804 Y849	V803-R806 PolarHBondContact O-N 2.88Å; Y804-R806 VanDerWaalsContact C-N 3.34Å; R806-Y849 VanDerWaalsContact CD-OH 3.29Å; R806-Y849 WeakPolarHBondContact CD-OH 3.48Å; R806-Y849 PolarHBondContact NH1-OH 3.12Å
807	F	68.4	Low	71.1	Confident	23 Å²	23	72.5 Å²	72.5	10%	0.101	36%	0.358	C	S	.	.	S	Bend	trans	-121.4	156.7	174.1	-66.1	-92	0	0	0	110.4	V803 P809 F840 R843 L844 Y849	V803-F807 HydrophobicContact CG1-CB 3.76Å; V803-F807 HydrophobicContact CG1-CD2 4.18Å; V803-F807 HydrophobicContact CG1-CG 4.27Å; V803-F807 PolarHBondContact O-N 3.22Å; F807-P809 WeakPolarHBondContact O-CD 3.34Å; F807-F840 HydrophobicContact CD1-CE2 4.11Å; F807-F840 HydrophobicContact CG-CE2 4.42Å; F807-R843 HydrophobicContact CE1-CG 4.48Å; F807-L844 HydrophobicContact CE1-CD2 4.11Å; F807-L844 HydrophobicContact CE2-CD2 3.88Å; F807-L844 HydrophobicContact CZ-CD2 3.56Å; F807-Y849 HydrophobicContact CE2-CD2 4.48Å
808	D	75.9	Confident	72.1	Confident	89 Å²	89	70.7 Å²	70.7	48%	0.476	35%	0.347	S	S	.	.			trans	-59.5	120.4	177	-178.3	-23.2	0	0	0	110.2	D810 E811 F812	D808-D810 VanDerWaalsContact C-N 3.27Å; D808-D810 PolarHBondContact O-N 2.76Å; D808-D810 PolarHBondContact OD1-N 3.15Å; D808-E811 HydrophobicContact CB-CB 3.83Å; D808-E811 PolarHBondContact O-N 3.2Å; D808-E811 PolarHBondContact OD1-N 2.81Å; D808-F812 PolarHBondContact O-N 3.1Å
809	P	74.9	Confident	72.9	Confident	60 Å²	60	69.7 Å²	69.7	39%	0.39	34%	0.343	S	S	.	.	H	α-helix	trans	-56.2	-36.2	178.1	-28.1	37.1	0	0	0	114.2	Y804 F807 K813	Y804-P809 HydrophobicContact CD1-CB 3.71Å; Y804-P809 HydrophobicContact CD1-CG 3.9Å; Y804-P809 HydrophobicContact CE1-CB 3.63Å; Y804-P809 HydrophobicContact CE1-CG 4.34Å; Y804-P809 HydrophobicContact CG-CG 4.41Å; F807-P809 WeakPolarHBondContact O-CD 3.34Å; P809-K813 WeakPolarHBondContact O-CB 3.42Å; P809-K813 PolarHBondContact O-N 3.43Å
810	D	80	Confident	73.9	Confident	97 Å²	97	69.9 Å²	69.9	52%	0.519	34%	0.341	S	S	.	.	H	α-helix	trans	-81.7	-32.5	-178.4	-81.4	-48	0	0	0	111.9	D808 K813 A814	D808-D810 VanDerWaalsContact C-N 3.27Å; D808-D810 PolarHBondContact O-N 2.76Å; D808-D810 PolarHBondContact OD1-N 3.15Å; D810-K813 PolarHBondContact O-N 3.22Å; D810-K813 WeakPolarHBondContact OD1-CD 3.3Å; D810-K813 IonicContact OD1-NZ 3.16Å; D810-K813 PolarHBondContact OD1-NZ 3.47Å; D810-A814 WeakPolarHBondContact O-CB 3.39Å; D810-A814 PolarHBondContact O-N 3.02Å
811	E	82	Confident	75.1	Confident	42 Å²	42	70.1 Å²	70.1	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-47.4	168.9	-173.6	-176.8	-140.8	0	0	110.9	D808 K813 A814 V815 F840 R843	D808-E811 HydrophobicContact CB-CB 3.83Å; D808-E811 PolarHBondContact O-N 3.2Å; D808-E811 PolarHBondContact OD1-N 2.81Å; E811-K813 VanDerWaalsContact C-N 3.33Å; E811-K813 PolarHBondContact O-N 2.87Å; E811-A814 PolarHBondContact O-N 3.34Å; E811-V815 WeakPolarHBondContact O-CG2 3.5Å; E811-V815 PolarHBondContact O-N 3.44Å; E811-F840 HydrophobicContact CG-CD2 4.4Å; E811-R843 VanDerWaalsContact CD-NH1 3.26Å; E811-R843 IonicContact OE1-CZ 2.75Å; E811-R843 VanDerWaalsContact OE1-CZ 3.31Å; E811-R843 IonicContact OE1-NH1 3.03Å; E811-R843 PolarHBondContact OE1-NH1 3.45Å; E811-R843 IonicContact OE1-NH2 2.93Å; E811-R843 PolarHBondContact OE1-NH2 3.23Å; E811-R843 IonicContact OE2-CZ 3.97Å; E811-R843 IonicContact OE2-NH1 2.67Å; E811-R843 PolarHBondContact OE2-NH1 3.12Å; E811-R843 IonicContact OE2-NH2 3.29Å
812	F	81.7	Confident	76.8	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-43.6	178	176.4	-115.9	0	0	0	112.2	F796 F798 V803 Y804 D808 V815 K816 F840	F796-F812 HydrophobicContact CD1-CZ 4.33Å; F796-F812 AromaticContact CE1-CE2 3.73Å; F796-F812 HydrophobicContact CE1-CE2 3.73Å; F796-F812 AromaticContact CE1-CZ 3.9Å; F796-F812 HydrophobicContact CE1-CZ 3.9Å; F798-F812 HydrophobicContact CB-CZ 4.12Å; F798-F812 AromaticContact CD2-CE2 3.85Å; F798-F812 HydrophobicContact CD2-CE2 3.85Å; F798-F812 HydrophobicContact CD2-CZ 4.16Å; V803-F812 HydrophobicContact CB-CD1 4.11Å; V803-F812 HydrophobicContact CB-CD2 4.25Å; V803-F812 HydrophobicContact CB-CE1 4.29Å; V803-F812 HydrophobicContact CB-CE2 4.42Å; V803-F812 HydrophobicContact CB-CG 4.08Å; V803-F812 HydrophobicContact CB-CZ 4.44Å; V803-F812 HydrophobicContact CG1-CB 3.84Å; V803-F812 HydrophobicContact CG1-CD1 4.12Å; V803-F812 HydrophobicContact CG1-CD2 3.69Å; V803-F812 HydrophobicContact CG1-CE2 4.26Å; V803-F812 HydrophobicContact CG1-CG 3.59Å; V803-F812 HydrophobicContact CG2-CD1 4.32Å; V803-F812 HydrophobicContact CG2-CD2 4.08Å; V803-F812 HydrophobicContact CG2-CE1 4.05Å; V803-F812 HydrophobicContact CG2-CE2 3.79Å; V803-F812 HydrophobicContact CG2-CG 4.33Å; V803-F812 HydrophobicContact CG2-CZ 3.77Å; Y804-F812 HydrophobicContact CE1-CD1 4.24Å; D808-F812 PolarHBondContact O-N 3.1Å; F812-V815 PolarHBondContact O-N 3.1Å; F812-K816 HydrophobicContact CE1-CD 4.21Å; F812-K816 HydrophobicContact CZ-CD 4.17Å; F812-K816 VanDerWaalsContact O-CB 3.3Å; F812-K816 WeakPolarHBondContact O-CB 3.16Å; F812-K816 PolarHBondContact O-N 2.67Å; F812-F840 HydrophobicContact CD2-CE1 4.39Å; F812-F840 AromaticContact CD2-CZ 3.87Å; F812-F840 HydrophobicContact CD2-CZ 3.87Å
813	K	81.4	Confident	77.9	Confident	101 Å²	101	60.2 Å²	60.2	44%	0.439	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-42.1	175.8	175.9	-177.6	165.2	-162	0	111.7	P809 D810 E811 K816 Q817	P809-K813 WeakPolarHBondContact O-CB 3.42Å; P809-K813 PolarHBondContact O-N 3.43Å; D810-K813 PolarHBondContact O-N 3.22Å; D810-K813 WeakPolarHBondContact OD1-CD 3.3Å; D810-K813 IonicContact OD1-NZ 3.16Å; D810-K813 PolarHBondContact OD1-NZ 3.47Å; E811-K813 VanDerWaalsContact C-N 3.33Å; E811-K813 PolarHBondContact O-N 2.87Å; K813-K816 PolarHBondContact O-N 3.19Å; K813-Q817 WeakPolarHBondContact O-CB 3.41Å; K813-Q817 VanDerWaalsContact O-CG 3.25Å; K813-Q817 WeakPolarHBondContact O-CG 3.22Å; K813-Q817 PolarHBondContact O-N 2.96Å
814	A	85.1	Confident	78.8	Confident	30 Å²	30	68.3 Å²	68.3	25%	0.248	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-45.4	174.8	0	0	0	0	0	112.3	D810 E811 Q817 A818	D810-A814 WeakPolarHBondContact O-CB 3.39Å; D810-A814 PolarHBondContact O-N 3.02Å; E811-A814 PolarHBondContact O-N 3.34Å; A814-Q817 PolarHBondContact O-N 3.25Å; A814-A818 WeakPolarHBondContact O-CB 3.4Å; A814-A818 PolarHBondContact O-N 3.34Å
815	V	87.8	Confident	79.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-46.8	174.7	165.6	0	0	0	0	111	F796 E811 F812 Q817 A818 V819 R836 V837 F840 M856	F796-V815 HydrophobicContact CZ-CG1 4.4Å; E811-V815 WeakPolarHBondContact O-CG2 3.5Å; E811-V815 PolarHBondContact O-N 3.44Å; F812-V815 PolarHBondContact O-N 3.1Å; V815-Q817 PolarHBondContact O-N 3.49Å; V815-A818 PolarHBondContact O-N 3.33Å; V815-V819 WeakPolarHBondContact O-CG2 3.37Å; V815-V819 PolarHBondContact O-N 3.04Å; V815-V819 VanDerWaalsContact O-N 3.09Å; V815-R836 HydrophobicContact CG2-CG 4.14Å; V815-V837 HydrophobicContact CG1-CG2 4.35Å; V815-F840 HydrophobicContact CG1-CD1 4.08Å; V815-F840 HydrophobicContact CG1-CG 4.35Å; V815-F840 HydrophobicContact CG2-CB 3.97Å; V815-F840 HydrophobicContact CG2-CD2 4.26Å; V815-F840 HydrophobicContact CG2-CG 4.03Å; V815-M856 HydrophobicContact CG1-CE 3.77Å
816	K	85.6	Confident	81	Confident	69 Å²	69	62.9 Å²	62.9	30%	0.3	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-41.8	177.2	-176.4	163	-176.5	160.6	0	112	F796 F798 F812 K813 T820	F796-K816 HydrophobicContact CB-CD 4.43Å; F796-K816 HydrophobicContact CB-CG 4.35Å; F796-K816 HydrophobicContact CD1-CB 4.2Å; F796-K816 HydrophobicContact CD1-CD 3.63Å; F796-K816 HydrophobicContact CD1-CG 3.68Å; F796-K816 HydrophobicContact CD2-CG 4.27Å; F796-K816 HydrophobicContact CE1-CB 3.93Å; F796-K816 HydrophobicContact CE1-CD 4.1Å; F796-K816 HydrophobicContact CE1-CG 3.95Å; F796-K816 HydrophobicContact CG-CD 4.13Å; F796-K816 HydrophobicContact CG-CG 3.84Å; F796-K816 HydrophobicContact CZ-CB 4.13Å; F796-K816 HydrophobicContact CZ-CG 4.39Å; F798-K816 PolarHBondContact O-NZ 3.08Å; F812-K816 HydrophobicContact CE1-CD 4.21Å; F812-K816 HydrophobicContact CZ-CD 4.17Å; F812-K816 VanDerWaalsContact O-CB 3.3Å; F812-K816 WeakPolarHBondContact O-CB 3.16Å; F812-K816 PolarHBondContact O-N 2.67Å; K813-K816 PolarHBondContact O-N 3.19Å; K816-T820 WeakPolarHBondContact O-CB 3.03Å; K816-T820 PolarHBondContact O-N 3.14Å; K816-T820 VanDerWaalsContact O-N 3.1Å; K816-T820 PolarHBondContact O-OG1 3.38Å
817	Q	84.5	Confident	82.1	Confident	125 Å²	125	58.8 Å²	58.8	58%	0.584	32%	0.32	S	S	*	.	H	α-helix	trans	-65.1	-43.1	175.9	-77.5	174.5	-22.8	0	0	112.2	K813 A814 V815 S821	K813-Q817 WeakPolarHBondContact O-CB 3.41Å; K813-Q817 VanDerWaalsContact O-CG 3.25Å; K813-Q817 WeakPolarHBondContact O-CG 3.22Å; K813-Q817 PolarHBondContact O-N 2.96Å; A814-Q817 PolarHBondContact O-N 3.25Å; V815-Q817 PolarHBondContact O-N 3.49Å; Q817-S821 PolarHBondContact O-N 3.26Å
818	A	86.5	Confident	82.9	Confident	8 Å²	8	62.7 Å²	62.7	7%	0.066	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-59.5	177.7	0	0	0	0	0	111.5	A814 V815 T820 S821 W822 D833 V837	A814-A818 WeakPolarHBondContact O-CB 3.4Å; A814-A818 PolarHBondContact O-N 3.34Å; V815-A818 PolarHBondContact O-N 3.33Å; A818-T820 VanDerWaalsContact C-N 3.25Å; A818-T820 PolarHBondContact O-N 3.44Å; A818-S821 PolarHBondContact O-N 2.88Å; A818-S821 VanDerWaalsContact O-N 3.12Å; A818-S821 PolarHBondContact O-OG 3.4Å; A818-W822 HydrophobicContact CB-CZ2 4.34Å; A818-W822 PolarHBondContact O-N 3.45Å; A818-W822 VanDerWaalsContact O-N 3.14Å; A818-W822 PolarHBondContact O-NE1 3.49Å; A818-D833 HydrophobicContact CB-CB 4.49Å; A818-V837 HydrophobicContact CB-CG2 4.35Å
819	V	85.2	Confident	83.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-29.7	-176.6	-166.5	0	0	0	0	112	F796 V815 W822 V837 Y859 L860	F796-V819 HydrophobicContact CE2-CB 4.04Å; F796-V819 HydrophobicContact CE2-CG2 4.38Å; V815-V819 WeakPolarHBondContact O-CG2 3.37Å; V815-V819 PolarHBondContact O-N 3.04Å; V815-V819 VanDerWaalsContact O-N 3.09Å; V819-W822 HydrophobicContact CB-CE3 4.44Å; V819-W822 HydrophobicContact CG1-CE3 4.2Å; V819-W822 HydrophobicContact CG2-CE3 4.35Å; V819-W822 HydrophobicContact CG2-CH2 4.47Å; V819-W822 HydrophobicContact CG2-CZ3 4.16Å; V819-V837 HydrophobicContact CG2-CB 4.37Å; V819-V837 HydrophobicContact CG2-CG1 3.77Å; V819-V837 HydrophobicContact CG2-CG2 3.61Å; V819-Y859 HydrophobicContact CG1-CD1 3.86Å; V819-Y859 HydrophobicContact CG1-CE1 3.74Å; V819-L860 HydrophobicContact CG1-CD2 3.73Å; V819-L860 HydrophobicContact CG2-CD2 4.37Å
820	T	84	Confident	84	Confident	59 Å²	59	59 Å²	59	36%	0.362	32%	0.322	S	S	.	.	H	α-helix	trans	-67.8	-39.4	174.7	-56.1	0	0	0	0	112.1	K816 A818	K816-T820 WeakPolarHBondContact O-CB 3.03Å; K816-T820 PolarHBondContact O-N 3.14Å; K816-T820 VanDerWaalsContact O-N 3.1Å; K816-T820 PolarHBondContact O-OG1 3.38Å; A818-T820 VanDerWaalsContact C-N 3.25Å; A818-T820 PolarHBondContact O-N 3.44Å
821	S	84.5	Confident	84.2	Confident	66 Å²	66	59.2 Å²	59.2	46%	0.462	33%	0.329	S	S	.	.	H	α-helix	trans	-70.1	-36.1	179	74.6	0	0	0	0	112	Q817 A818 I823 Q824 S825	Q817-S821 PolarHBondContact O-N 3.26Å; A818-S821 PolarHBondContact O-N 2.88Å; A818-S821 VanDerWaalsContact O-N 3.12Å; A818-S821 PolarHBondContact O-OG 3.4Å; S821-I823 VanDerWaalsContact C-N 3.25Å; S821-I823 PolarHBondContact O-N 3.08Å; S821-Q824 CarbonylContact O-C 3.59Å; S821-Q824 PolarHBondContact O-N 2.98Å; S821-S825 PolarHBondContact O-N 3.29Å
822	W	87.5	Confident	84.4	Confident	8 Å²	8	61.6 Å²	61.6	3%	0.03	35%	0.348	C	S	.	.	H	α-helix	trans	-56.1	-36.4	178.5	-63.7	-0.8	0	0	0	113.3	A818 V819 Q824 S825 P829 D833 V834 V837 L860 N867 L870 V874	A818-W822 HydrophobicContact CB-CZ2 4.34Å; A818-W822 PolarHBondContact O-N 3.45Å; A818-W822 VanDerWaalsContact O-N 3.14Å; A818-W822 PolarHBondContact O-NE1 3.49Å; V819-W822 HydrophobicContact CB-CE3 4.44Å; V819-W822 HydrophobicContact CG1-CE3 4.2Å; V819-W822 HydrophobicContact CG2-CE3 4.35Å; V819-W822 HydrophobicContact CG2-CH2 4.47Å; V819-W822 HydrophobicContact CG2-CZ3 4.16Å; W822-Q824 PolarHBondContact O-N 3.24Å; W822-S825 PolarHBondContact O-N 2.82Å; W822-P829 HydrophobicContact CD2-CB 3.98Å; W822-P829 HydrophobicContact CD2-CG 4.43Å; W822-P829 HydrophobicContact CG-CB 4.12Å; W822-P829 HydrophobicContact CZ2-CB 4.08Å; W822-D833 HydrophobicContact CZ2-CB 4.05Å; W822-V834 HydrophobicContact CH2-CG2 4.28Å; W822-V834 HydrophobicContact CZ2-CG2 4.25Å; W822-V837 HydrophobicContact CH2-CB 3.87Å; W822-V837 HydrophobicContact CH2-CG1 4.26Å; W822-V837 HydrophobicContact CH2-CG2 3.58Å; W822-V837 HydrophobicContact CZ2-CG2 3.97Å; W822-V837 HydrophobicContact CZ3-CG1 4.47Å; W822-V837 HydrophobicContact CZ3-CG2 4.37Å; W822-L860 HydrophobicContact CE3-CD2 4.32Å; W822-L860 HydrophobicContact CZ3-CD2 3.87Å; W822-N867 PolarHBondContact O-ND2 3.37Å; W822-L870 HydrophobicContact CB-CD1 3.85Å; W822-L870 HydrophobicContact CB-CD2 3.77Å; W822-L870 HydrophobicContact CB-CG 4.48Å; W822-L870 HydrophobicContact CG-CD2 4.33Å; W822-V874 HydrophobicContact CE3-CG2 4.44Å; W822-V874 HydrophobicContact CZ3-CG2 4.22Å
823	I	80.8	Confident	84.7	Confident	39 Å²	39	63.5 Å²	63.5	20%	0.2	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.5	179.2	-65.3	156.3	0	0	0	112.1	L794 S821 Y859 A863	L794-I823 HydrophobicContact CD2-CD1 3.88Å; L794-I823 HydrophobicContact CD2-CG1 4.47Å; S821-I823 VanDerWaalsContact C-N 3.25Å; S821-I823 PolarHBondContact O-N 3.08Å; I823-Y859 HydrophobicContact CD1-CE1 3.81Å; I823-Y859 VanDerWaalsContact CD1-OH 3.3Å; I823-Y859 WeakPolarHBondContact CD1-OH 3.42Å; I823-A863 HydrophobicContact CD1-CB 4.31Å; I823-A863 HydrophobicContact CG1-CB 3.72Å
824	Q	78.3	Confident	85.1	Confident	170 Å²	170	59.6 Å²	59.6	79%	0.794	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-2.5	-178.8	-61	-177.9	-4.3	0	0	113	S821 W822	S821-Q824 CarbonylContact O-C 3.59Å; S821-Q824 PolarHBondContact O-N 2.98Å; W822-Q824 PolarHBondContact O-N 3.24Å
825	S	81.7	Confident	85.3	Confident	28 Å²	28	65.5 Å²	65.5	20%	0.196	36%	0.363	C	S	.	.			trans	-75.9	134.2	-176.2	-172.5	0	0	0	0	112.6	S821 W822 T827 N867	S821-S825 PolarHBondContact O-N 3.29Å; W822-S825 PolarHBondContact O-N 2.82Å; S825-T827 VanDerWaalsContact C-N 3.34Å; S825-T827 PolarHBondContact OG-N 3.06Å; S825-T827 PolarHBondContact OG-O 3.05Å; S825-T827 PolarHBondContact OG-OG1 2.94Å; S825-N867 PolarHBondContact O-ND2 3.14Å
826	T	82.3	Confident	85.3	Confident	124 Å²	124	70.9 Å²	70.9	76%	0.761	38%	0.383	S	S	*	.	S	Bend	trans	-88.1	-2	167	52.8	0	0	0	0	113.1	I869	T826-I869 WeakPolarHBondContact O-CD1 3.36Å
827	T	85.4	Confident	85.6	Confident	93 Å²	93	67.7 Å²	67.7	57%	0.571	37%	0.37	S	S	*	.	S	Bend	trans	-119.8	155	179.1	57.5	0	0	0	0	111.8	S825	S825-T827 VanDerWaalsContact C-N 3.34Å; S825-T827 PolarHBondContact OG-N 3.06Å; S825-T827 PolarHBondContact OG-O 3.05Å; S825-T827 PolarHBondContact OG-OG1 2.94Å
828	L	86	Confident	85.9	Confident	104 Å²	104	62.7 Å²	62.7	55%	0.545	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-62.5	136.3	176.8	-160.6	75.3	0	0	0	110.5	I869 P873	L828-I869 HydrophobicContact CB-CG2 4.48Å; L828-I869 HydrophobicContact CD1-CG2 3.98Å; L828-I869 WeakPolarHBondContact CD1-O 3.34Å; L828-P873 HydrophobicContact CD1-CG 3.93Å; L828-P873 HydrophobicContact CG-CG 4.43Å
829	P	87	Confident	86.1	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.032	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-62.4	140.2	175.6	26.9	-36.4	0	0	0	111.2	W822 V834 L870 P873	W822-P829 HydrophobicContact CD2-CB 3.98Å; W822-P829 HydrophobicContact CD2-CG 4.43Å; W822-P829 HydrophobicContact CG-CB 4.12Å; W822-P829 HydrophobicContact CZ2-CB 4.08Å; P829-V834 HydrophobicContact CB-CG2 3.93Å; P829-V834 HydrophobicContact CG-CG2 3.85Å; P829-L870 HydrophobicContact CG-CD2 4.09Å; P829-P873 HydrophobicContact CG-CB 4.19Å; P829-P873 HydrophobicContact CG-CG 3.76Å
830	P	86.3	Confident	86.4	Confident	67 Å²	67	64.3 Å²	64.3	44%	0.435	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-69.5	138.8	-178.9	29.8	-34.9	0	0	0	110.3	P832 D833 V834	P830-P832 VanDerWaalsContact C-N 3.33Å; P830-P832 VanDerWaalsContact O-N 3.12Å; P830-D833 HydrophobicContact CG-CB 4.19Å; P830-D833 WeakPolarHBondContact CG-OD2 3.25Å; P830-D833 PolarHBondContact O-N 3.33Å; P830-V834 PolarHBondContact O-N 3.32Å
831	P	85.4	Confident	86.8	Confident	102 Å²	102	61.5 Å²	61.5	66%	0.662	34%	0.343	S	S	*	.	H	α-helix	trans	-51.8	-36.3	-174.3	-28.2	34.4	0	0	0	116.5	D833 V834 F835	P831-D833 VanDerWaalsContact C-N 3.32Å; P831-D833 PolarHBondContact O-N 3.32Å; P831-V834 PolarHBondContact O-N 3.19Å; P831-F835 WeakPolarHBondContact O-CB 3.45Å; P831-F835 PolarHBondContact O-N 2.93Å
832	P	86.3	Confident	87.1	Confident	92 Å²	92	59.5 Å²	59.5	60%	0.597	33%	0.328	S	S	*	.	H	α-helix	trans	-61.5	-33.4	175.8	-25.9	36.6	0	0	0	114.6	P830 R836	P830-P832 VanDerWaalsContact C-N 3.33Å; P830-P832 VanDerWaalsContact O-N 3.12Å; P832-R836 WeakPolarHBondContact O-CB 3.4Å; P832-R836 PolarHBondContact O-N 3.07Å
833	D	88.1	Confident	87.2	Confident	43 Å²	43	63.4 Å²	63.4	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-76.3	-36	177	-74.7	-29.7	0	0	0	111.4	A818 W822 P830 P831 F835 R836 V837	A818-D833 HydrophobicContact CB-CB 4.49Å; W822-D833 HydrophobicContact CZ2-CB 4.05Å; P830-D833 HydrophobicContact CG-CB 4.19Å; P830-D833 WeakPolarHBondContact CG-OD2 3.25Å; P830-D833 PolarHBondContact O-N 3.33Å; P831-D833 VanDerWaalsContact C-N 3.32Å; P831-D833 PolarHBondContact O-N 3.32Å; D833-F835 VanDerWaalsContact C-N 3.33Å; D833-R836 PolarHBondContact O-N 2.74Å; D833-R836 IonicContact OD1-CZ 3.78Å; D833-R836 IonicContact OD1-NH1 2.71Å; D833-R836 PolarHBondContact OD1-NH1 3.1Å; D833-V837 WeakPolarHBondContact O-CG2 3.49Å; D833-V837 PolarHBondContact O-N 2.73Å
834	V	88.8	Confident	87.6	Confident	20 Å²	20	61.6 Å²	61.6	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-46.9	172	-176.3	0	0	0	0	110.1	W822 P829 P830 P831 V837 A838 P873 A877	W822-V834 HydrophobicContact CH2-CG2 4.28Å; W822-V834 HydrophobicContact CZ2-CG2 4.25Å; P829-V834 HydrophobicContact CB-CG2 3.93Å; P829-V834 HydrophobicContact CG-CG2 3.85Å; P830-V834 PolarHBondContact O-N 3.32Å; P831-V834 PolarHBondContact O-N 3.19Å; V834-V837 PolarHBondContact O-N 3.02Å; V834-A838 WeakPolarHBondContact O-CB 3.33Å; V834-A838 PolarHBondContact O-N 3.31Å; V834-P873 HydrophobicContact CG1-CB 4.24Å; V834-P873 WeakPolarHBondContact CG1-O 3.34Å; V834-P873 HydrophobicContact CG2-CB 3.98Å; V834-A877 HydrophobicContact CG1-CB 4.08Å
835	F	88.8	Confident	88.1	Confident	153 Å²	153	53.5 Å²	53.5	67%	0.671	30%	0.296	S	S	*	.	H	α-helix	trans	-63.2	-40.9	175.5	-175.7	-96.5	0	0	0	112.9	P831 D833 V837 A838 S839	P831-F835 WeakPolarHBondContact O-CB 3.45Å; P831-F835 PolarHBondContact O-N 2.93Å; D833-F835 VanDerWaalsContact C-N 3.33Å; F835-V837 PolarHBondContact O-N 2.93Å; F835-A838 PolarHBondContact O-N 2.93Å; F835-S839 VanDerWaalsContact O-CB 3.23Å; F835-S839 WeakPolarHBondContact O-CB 3.32Å; F835-S839 PolarHBondContact O-N 2.97Å
836	R	88.6	Confident	88.5	Confident	113 Å²	113	57.6 Å²	57.6	43%	0.426	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-45.6	175.9	179	-177	-77.7	143.3	-11.4	111.7	V815 P832 D833 F840	V815-R836 HydrophobicContact CG2-CG 4.14Å; P832-R836 WeakPolarHBondContact O-CB 3.4Å; P832-R836 PolarHBondContact O-N 3.07Å; D833-R836 PolarHBondContact O-N 2.74Å; D833-R836 IonicContact OD1-CZ 3.78Å; D833-R836 IonicContact OD1-NH1 2.71Å; D833-R836 PolarHBondContact OD1-NH1 3.1Å; R836-F840 PolarHBondContact O-N 3.07Å
837	V	91.1	Very high	88.6	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-66.2	-42.4	178.2	174.1	0	0	0	0	111.1	V815 A818 V819 W822 D833 V834 F835 F840 I841 M856 L860	V815-V837 HydrophobicContact CG1-CG2 4.35Å; A818-V837 HydrophobicContact CB-CG2 4.35Å; V819-V837 HydrophobicContact CG2-CB 4.37Å; V819-V837 HydrophobicContact CG2-CG1 3.77Å; V819-V837 HydrophobicContact CG2-CG2 3.61Å; W822-V837 HydrophobicContact CH2-CB 3.87Å; W822-V837 HydrophobicContact CH2-CG1 4.26Å; W822-V837 HydrophobicContact CH2-CG2 3.58Å; W822-V837 HydrophobicContact CZ2-CG2 3.97Å; W822-V837 HydrophobicContact CZ3-CG1 4.47Å; W822-V837 HydrophobicContact CZ3-CG2 4.37Å; D833-V837 WeakPolarHBondContact O-CG2 3.49Å; D833-V837 PolarHBondContact O-N 2.73Å; V834-V837 PolarHBondContact O-N 3.02Å; F835-V837 PolarHBondContact O-N 2.93Å; V837-F840 PolarHBondContact O-N 2.9Å; V837-I841 HydrophobicContact CG1-CD1 4.26Å; V837-I841 WeakPolarHBondContact O-CG1 3.44Å; V837-I841 PolarHBondContact O-N 3.01Å; V837-M856 HydrophobicContact CG1-CE 4.05Å; V837-L860 HydrophobicContact CG1-CD1 4.18Å; V837-L860 HydrophobicContact CG1-CD2 4.44Å
838	A	92.1	Very high	88.6	Confident	19 Å²	19	57.6 Å²	57.6	16%	0.157	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-47.7	175.8	0	0	0	0	0	112.2	V834 F835 F840 I841 V842 A877 I881	V834-A838 WeakPolarHBondContact O-CB 3.33Å; V834-A838 PolarHBondContact O-N 3.31Å; F835-A838 PolarHBondContact O-N 2.93Å; A838-F840 VanDerWaalsContact C-N 3.28Å; A838-F840 PolarHBondContact O-N 3.12Å; A838-I841 PolarHBondContact O-N 3.09Å; A838-I841 VanDerWaalsContact O-N 3.12Å; A838-V842 WeakPolarHBondContact O-CG2 3.5Å; A838-V842 PolarHBondContact O-N 3.41Å; A838-A877 HydrophobicContact CB-CB 4.32Å; A838-I881 HydrophobicContact CB-CD1 4.32Å
839	S	90.6	Very high	88.6	Confident	43 Å²	43	56.2 Å²	56.2	30%	0.301	28%	0.283	S	S	.	.	H	α-helix	trans	-57.6	-38.4	177.1	-179.6	0	0	0	0	112.6	F835 R843	F835-S839 VanDerWaalsContact O-CB 3.23Å; F835-S839 WeakPolarHBondContact O-CB 3.32Å; F835-S839 PolarHBondContact O-N 2.97Å; S839-R843 WeakPolarHBondContact O-CB 3.31Å; S839-R843 PolarHBondContact O-N 3.47Å
840	F	90.9	Very high	88.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-45.8	174.6	-174.7	-95.7	0	0	0	112	V803 F807 E811 F812 V815 R836 V837 A838 V842 R843 L844 M852 M856	V803-F840 HydrophobicContact CG1-CZ 4.45Å; F807-F840 HydrophobicContact CD1-CE2 4.11Å; F807-F840 HydrophobicContact CG-CE2 4.42Å; E811-F840 HydrophobicContact CG-CD2 4.4Å; F812-F840 HydrophobicContact CD2-CE1 4.39Å; F812-F840 AromaticContact CD2-CZ 3.87Å; F812-F840 HydrophobicContact CD2-CZ 3.87Å; V815-F840 HydrophobicContact CG1-CD1 4.08Å; V815-F840 HydrophobicContact CG1-CG 4.35Å; V815-F840 HydrophobicContact CG2-CB 3.97Å; V815-F840 HydrophobicContact CG2-CD2 4.26Å; V815-F840 HydrophobicContact CG2-CG 4.03Å; R836-F840 PolarHBondContact O-N 3.07Å; V837-F840 PolarHBondContact O-N 2.9Å; A838-F840 VanDerWaalsContact C-N 3.28Å; A838-F840 PolarHBondContact O-N 3.12Å; F840-V842 PolarHBondContact O-N 3.07Å; F840-R843 WeakPolarHBondContact O-CB 2.96Å; F840-R843 PolarHBondContact O-N 3.39Å; F840-R843 VanDerWaalsContact O-N 3.16Å; F840-L844 HydrophobicContact CD1-CD1 4.13Å; F840-L844 HydrophobicContact CD1-CG 4.46Å; F840-L844 HydrophobicContact CE1-CD1 3.84Å; F840-L844 HydrophobicContact CE1-CD2 4.44Å; F840-L844 HydrophobicContact CE1-CG 4.24Å; F840-L844 WeakPolarHBondContact O-CG 3.45Å; F840-L844 PolarHBondContact O-N 3.03Å; F840-M852 HydrophobicContact CE1-CE 4.25Å; F840-M852 HydrophobicContact CZ-CE 4.16Å; F840-M856 HydrophobicContact CD1-CE 4.33Å; F840-M856 HydrophobicContact CD1-SD 3.53Å; F840-M856 VanDerWaalsContact CD1-SD 3.53Å; F840-M856 HydrophobicContact CE1-SD 3.69Å
841	I	91.4	Very high	88.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-42.4	176.7	-61.6	166.9	0	0	0	111.3	V837 A838 R843 L844 I845 A853 M856 M857 L860 I881	V837-I841 HydrophobicContact CG1-CD1 4.26Å; V837-I841 WeakPolarHBondContact O-CG1 3.44Å; V837-I841 PolarHBondContact O-N 3.01Å; A838-I841 PolarHBondContact O-N 3.09Å; A838-I841 VanDerWaalsContact O-N 3.12Å; I841-R843 VanDerWaalsContact C-N 3.28Å; I841-R843 PolarHBondContact O-N 3.28Å; I841-L844 WeakPolarHBondContact O-CB 3.4Å; I841-L844 PolarHBondContact O-N 3.14Å; I841-L844 VanDerWaalsContact O-N 3.14Å; I841-I845 HydrophobicContact CG2-CD1 4.25Å; I841-I845 WeakPolarHBondContact O-CG1 3.35Å; I841-I845 PolarHBondContact O-N 3.44Å; I841-I845 VanDerWaalsContact O-N 3.09Å; I841-A853 HydrophobicContact CG2-CB 3.94Å; I841-M856 HydrophobicContact CD1-CB 3.75Å; I841-M856 HydrophobicContact CD1-CE 4.17Å; I841-M856 HydrophobicContact CD1-SD 4.34Å; I841-M856 HydrophobicContact CG1-CB 3.76Å; I841-M856 HydrophobicContact CG1-CE 4Å; I841-M856 HydrophobicContact CG1-CG 4.24Å; I841-M856 HydrophobicContact CG1-SD 3.64Å; I841-M857 HydrophobicContact CG2-CG 4.2Å; I841-L860 HydrophobicContact CD1-CD1 3.59Å; I841-I881 HydrophobicContact CB-CD1 3.98Å; I841-I881 HydrophobicContact CD1-CD1 3.87Å; I841-I881 HydrophobicContact CG2-CD1 3.97Å; I841-I881 HydrophobicContact CG2-CG1 4.46Å; I841-I881 HydrophobicContact CG2-CG2 3.82Å
842	V	91.8	Very high	88.6	Confident	24 Å²	24	56.3 Å²	56.3	15%	0.145	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-39.6	173.7	167.9	0	0	0	0	111.3	A838 F840 L844 I845 Y846 I881 I884	A838-V842 WeakPolarHBondContact O-CG2 3.5Å; A838-V842 PolarHBondContact O-N 3.41Å; F840-V842 PolarHBondContact O-N 3.07Å; V842-L844 PolarHBondContact O-N 3.46Å; V842-I845 WeakPolarHBondContact O-CB 3.39Å; V842-I845 PolarHBondContact O-N 3.07Å; V842-I845 VanDerWaalsContact O-N 3.16Å; V842-Y846 HydrophobicContact CG1-CD2 3.7Å; V842-Y846 HydrophobicContact CG1-CE2 3.39Å; V842-Y846 VanDerWaalsContact O-CD2 3.28Å; V842-Y846 WeakPolarHBondContact O-CD2 3.41Å; V842-Y846 PolarHBondContact O-N 3.38Å; V842-Y846 VanDerWaalsContact O-N 3.08Å; V842-I881 HydrophobicContact CG2-CG1 4.09Å; V842-I884 HydrophobicContact CB-CD1 4.46Å; V842-I884 HydrophobicContact CG1-CD1 4Å; V842-I884 HydrophobicContact CG1-CG2 4.47Å; V842-I884 HydrophobicContact CG2-CD1 3.55Å
843	R	88.7	Confident	88.7	Confident	90 Å²	90	52 Å²	52	34%	0.34	24%	0.241	S	C	.	.	H	α-helix	trans	-67.7	-34.6	175.9	-150.6	179.5	-50.9	146.9	17.3	112.8	F807 E811 S839 F840 I841 I845 T847	F807-R843 HydrophobicContact CE1-CG 4.48Å; E811-R843 VanDerWaalsContact CD-NH1 3.26Å; E811-R843 IonicContact OE1-CZ 2.75Å; E811-R843 VanDerWaalsContact OE1-CZ 3.31Å; E811-R843 IonicContact OE1-NH1 3.03Å; E811-R843 PolarHBondContact OE1-NH1 3.45Å; E811-R843 IonicContact OE1-NH2 2.93Å; E811-R843 PolarHBondContact OE1-NH2 3.23Å; E811-R843 IonicContact OE2-CZ 3.97Å; E811-R843 IonicContact OE2-NH1 2.67Å; E811-R843 PolarHBondContact OE2-NH1 3.12Å; E811-R843 IonicContact OE2-NH2 3.29Å; S839-R843 WeakPolarHBondContact O-CB 3.31Å; S839-R843 PolarHBondContact O-N 3.47Å; F840-R843 WeakPolarHBondContact O-CB 2.96Å; F840-R843 PolarHBondContact O-N 3.39Å; F840-R843 VanDerWaalsContact O-N 3.16Å; I841-R843 VanDerWaalsContact C-N 3.28Å; I841-R843 PolarHBondContact O-N 3.28Å; R843-I845 VanDerWaalsContact C-N 3.29Å; R843-I845 PolarHBondContact O-N 3.45Å; R843-T847 WeakPolarHBondContact O-CB 3.34Å; R843-T847 WeakPolarHBondContact O-CG2 3.43Å; R843-T847 PolarHBondContact O-N 2.79Å; R843-T847 PolarHBondContact O-OG1 2.95Å
844	L	89.1	Confident	88.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-36.9	170.8	-64.2	174.5	0	0	0	111.7	F807 F840 I841 V842 T847 K848 Y849 M852 A853 M856	F807-L844 HydrophobicContact CE1-CD2 4.11Å; F807-L844 HydrophobicContact CE2-CD2 3.88Å; F807-L844 HydrophobicContact CZ-CD2 3.56Å; F840-L844 HydrophobicContact CD1-CD1 4.13Å; F840-L844 HydrophobicContact CD1-CG 4.46Å; F840-L844 HydrophobicContact CE1-CD1 3.84Å; F840-L844 HydrophobicContact CE1-CD2 4.44Å; F840-L844 HydrophobicContact CE1-CG 4.24Å; F840-L844 WeakPolarHBondContact O-CG 3.45Å; F840-L844 PolarHBondContact O-N 3.03Å; I841-L844 WeakPolarHBondContact O-CB 3.4Å; I841-L844 PolarHBondContact O-N 3.14Å; I841-L844 VanDerWaalsContact O-N 3.14Å; V842-L844 PolarHBondContact O-N 3.46Å; L844-T847 WeakPolarHBondContact CA-OG1 3.36Å; L844-T847 PolarHBondContact O-OG1 2.87Å; L844-K848 PolarHBondContact O-N 2.97Å; L844-K848 VanDerWaalsContact O-N 3.14Å; L844-Y849 WeakPolarHBondContact O-CA 3.31Å; L844-Y849 PolarHBondContact O-N 3.02Å; L844-M852 HydrophobicContact CD1-CB 4.06Å; L844-M852 HydrophobicContact CD1-CE 4.19Å; L844-M852 HydrophobicContact CD1-CG 3.87Å; L844-M852 HydrophobicContact CD1-SD 4.29Å; L844-M852 HydrophobicContact CD2-CB 4.31Å; L844-M852 HydrophobicContact CD2-CE 3.75Å; L844-M852 HydrophobicContact CD2-CG 4.11Å; L844-M852 HydrophobicContact CD2-SD 3.5Å; L844-M852 VanDerWaalsContact CD2-SD 3.5Å; L844-A853 HydrophobicContact CB-CB 4Å; L844-M856 HydrophobicContact CD1-CG 4.5Å; L844-M856 HydrophobicContact CD1-SD 4.1Å
845	I	90.1	Very high	88.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.4	-51.3	178.3	-68.5	163.1	0	0	0	111.3	I841 V842 R843 T847 K848 L850 A853 I881 I884 M885 Y889 M893	I841-I845 HydrophobicContact CG2-CD1 4.25Å; I841-I845 WeakPolarHBondContact O-CG1 3.35Å; I841-I845 PolarHBondContact O-N 3.44Å; I841-I845 VanDerWaalsContact O-N 3.09Å; V842-I845 WeakPolarHBondContact O-CB 3.39Å; V842-I845 PolarHBondContact O-N 3.07Å; V842-I845 VanDerWaalsContact O-N 3.16Å; R843-I845 VanDerWaalsContact C-N 3.29Å; R843-I845 PolarHBondContact O-N 3.45Å; I845-T847 VanDerWaalsContact C-N 3.31Å; I845-T847 PolarHBondContact O-N 3.29Å; I845-K848 PolarHBondContact O-N 3.13Å; I845-L850 HydrophobicContact CG1-CD2 4.42Å; I845-L850 HydrophobicContact CG2-CD2 4.38Å; I845-A853 HydrophobicContact CD1-CB 4.37Å; I845-A853 HydrophobicContact CG1-CB 3.75Å; I845-I881 HydrophobicContact CD1-CG2 3.51Å; I845-I884 HydrophobicContact CG2-CG2 4.49Å; I845-M885 HydrophobicContact CB-SD 4.3Å; I845-M885 HydrophobicContact CD1-CG 3.84Å; I845-M885 HydrophobicContact CD1-SD 3.76Å; I845-M885 HydrophobicContact CG1-CG 4.48Å; I845-M885 HydrophobicContact CG1-SD 3.73Å; I845-M885 HydrophobicContact CG2-SD 3.57Å; I845-M885 VanDerWaalsContact CG2-SD 3.57Å; I845-Y889 HydrophobicContact CG2-CD2 4.22Å; I845-Y889 HydrophobicContact CG2-CE2 3.66Å; I845-Y889 PolarHBondContact O-OH 3.16Å; I845-M893 HydrophobicContact CG1-CE 4.49Å
846	Y	88.9	Confident	88.7	Confident	114 Å²	114	47.5 Å²	47.5	45%	0.447	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-35.6	176.6	-74.1	-62	0	0	0	113	V842 K848 I884 E888	V842-Y846 HydrophobicContact CG1-CD2 3.7Å; V842-Y846 HydrophobicContact CG1-CE2 3.39Å; V842-Y846 VanDerWaalsContact O-CD2 3.28Å; V842-Y846 WeakPolarHBondContact O-CD2 3.41Å; V842-Y846 PolarHBondContact O-N 3.38Å; V842-Y846 VanDerWaalsContact O-N 3.08Å; Y846-K848 PolarHBondContact O-N 3.19Å; Y846-I884 HydrophobicContact CE2-CG2 4.49Å; Y846-E888 HydrophobicContact CD1-CG 4.04Å; Y846-E888 VanDerWaalsContact CE1-CD 3.43Å; Y846-E888 HydrophobicContact CE1-CG 3.64Å
847	T	85.4	Confident	88.8	Confident	61 Å²	61	42.1 Å²	42.1	37%	0.374	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	4.1	175.5	55.9	0	0	0	0	113.8	R843 L844 I845 Y849	R843-T847 WeakPolarHBondContact O-CB 3.34Å; R843-T847 WeakPolarHBondContact O-CG2 3.43Å; R843-T847 PolarHBondContact O-N 2.79Å; R843-T847 PolarHBondContact O-OG1 2.95Å; L844-T847 WeakPolarHBondContact CA-OG1 3.36Å; L844-T847 PolarHBondContact O-OG1 2.87Å; I845-T847 VanDerWaalsContact C-N 3.31Å; I845-T847 PolarHBondContact O-N 3.29Å; T847-Y849 VanDerWaalsContact C-N 3.3Å; T847-Y849 VanDerWaalsContact O-CD2 3.25Å; T847-Y849 WeakPolarHBondContact O-CD2 3.32Å; T847-Y849 PolarHBondContact O-N 3.22Å; T847-Y849 WeakPolarHBondContact OG1-CD2 3.22Å
848	K	86.3	Confident	88.7	Confident	157 Å²	157	44.3 Å²	44.3	68%	0.683	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	18.4	175.8	-42	-159.9	173.6	-170.4	0	115.6	L844 I845 Y846 L850	L844-K848 PolarHBondContact O-N 2.97Å; L844-K848 VanDerWaalsContact O-N 3.14Å; I845-K848 PolarHBondContact O-N 3.13Å; Y846-K848 PolarHBondContact O-N 3.19Å; K848-L850 PolarHBondContact O-N 2.94Å
849	Y	85.9	Confident	88.5	Confident	75 Å²	75	44.1 Å²	44.1	29%	0.294	21%	0.207	S	C	.	.			trans	-80.4	53.1	171.5	-74.4	-96.1	0	0	0	111.4	R806 F807 L844 T847 E851 M852 A853	R806-Y849 VanDerWaalsContact CD-OH 3.29Å; R806-Y849 WeakPolarHBondContact CD-OH 3.48Å; R806-Y849 PolarHBondContact NH1-OH 3.12Å; F807-Y849 HydrophobicContact CE2-CD2 4.48Å; L844-Y849 WeakPolarHBondContact O-CA 3.31Å; L844-Y849 PolarHBondContact O-N 3.02Å; T847-Y849 VanDerWaalsContact C-N 3.3Å; T847-Y849 VanDerWaalsContact O-CD2 3.25Å; T847-Y849 WeakPolarHBondContact O-CD2 3.32Å; T847-Y849 PolarHBondContact O-N 3.22Å; T847-Y849 WeakPolarHBondContact OG1-CD2 3.22Å; Y849-E851 PolarHBondContact O-N 3.25Å; Y849-M852 HydrophobicContact CD1-SD 4.32Å; Y849-M852 WeakPolarHBondContact O-CA 3.36Å; Y849-M852 VanDerWaalsContact O-CB 3.28Å; Y849-M852 WeakPolarHBondContact O-CB 3.47Å; Y849-M852 PolarHBondContact O-N 3.39Å; Y849-A853 PolarHBondContact O-N 2.99Å
850	L	88.7	Confident	88.4	Confident	54 Å²	54	42.3 Å²	42.3	28%	0.283	19%	0.194	S	C	.	.	H	α-helix	trans	-60.7	-38.4	-170.2	-64.4	179.1	0	0	0	113.8	I845 K848 M852 A853 R854 M885 Y889 M893	I845-L850 HydrophobicContact CG1-CD2 4.42Å; I845-L850 HydrophobicContact CG2-CD2 4.38Å; K848-L850 PolarHBondContact O-N 2.94Å; L850-M852 VanDerWaalsContact C-N 3.28Å; L850-M852 PolarHBondContact O-N 3.19Å; L850-A853 PolarHBondContact O-N 3.14Å; L850-R854 VanDerWaalsContact O-CB 3.28Å; L850-R854 WeakPolarHBondContact O-CB 3.36Å; L850-R854 PolarHBondContact O-N 2.89Å; L850-M885 HydrophobicContact CD2-CE 4.22Å; L850-M885 HydrophobicContact CD2-SD 3.99Å; L850-Y889 HydrophobicContact CD1-CD1 4.22Å; L850-Y889 HydrophobicContact CD1-CE1 3.79Å; L850-Y889 HydrophobicContact CD2-CD2 4.46Å; L850-Y889 HydrophobicContact CD2-CE1 4.36Å; L850-Y889 HydrophobicContact CD2-CE2 3.9Å; L850-M893 HydrophobicContact CB-CE 4.31Å; L850-M893 HydrophobicContact CD2-CE 4.02Å
851	E	83.6	Confident	88.3	Confident	104 Å²	104	46.2 Å²	46.2	49%	0.486	21%	0.208	S	C	.	.	H	α-helix	trans	-69.1	-29.6	176.3	-164.6	59	-142.5	0	0	111.9	Y849 R854 N855	Y849-E851 PolarHBondContact O-N 3.25Å; E851-R854 IonicContact OE1-CZ 3.69Å; E851-R854 IonicContact OE1-NH1 2.77Å; E851-R854 PolarHBondContact OE1-NH1 2.85Å; E851-N855 WeakPolarHBondContact O-CB 3.43Å; E851-N855 VanDerWaalsContact O-CG 3.24Å; E851-N855 PolarHBondContact O-N 3.05Å; E851-N855 PolarHBondContact O-ND2 2.99Å
852	M	85.4	Confident	88	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-71.1	-45	175.2	-157.6	177.9	154.4	0	0	110.2	F798 V803 F840 L844 Y849 L850 N855 M856	F798-M852 HydrophobicContact CD1-CE 4.47Å; F798-M852 HydrophobicContact CD1-CG 3.77Å; F798-M852 HydrophobicContact CD2-CE 4.01Å; F798-M852 HydrophobicContact CE1-CB 4.17Å; F798-M852 HydrophobicContact CE1-CG 3.32Å; F798-M852 HydrophobicContact CE2-CE 4.12Å; F798-M852 HydrophobicContact CE2-CG 4.1Å; F798-M852 HydrophobicContact CG-CE 4.19Å; F798-M852 HydrophobicContact CG-CG 4.37Å; F798-M852 HydrophobicContact CZ-CB 4.42Å; F798-M852 HydrophobicContact CZ-CE 4.46Å; F798-M852 HydrophobicContact CZ-CG 3.5Å; F798-M852 VanDerWaalsContact CZ-O 3.25Å; F798-M852 WeakPolarHBondContact CZ-O 3.5Å; V803-M852 HydrophobicContact CB-CE 4.43Å; V803-M852 HydrophobicContact CG1-CE 4.16Å; V803-M852 HydrophobicContact CG2-CE 3.53Å; F840-M852 HydrophobicContact CE1-CE 4.25Å; F840-M852 HydrophobicContact CZ-CE 4.16Å; L844-M852 HydrophobicContact CD1-CB 4.06Å; L844-M852 HydrophobicContact CD1-CE 4.19Å; L844-M852 HydrophobicContact CD1-CG 3.87Å; L844-M852 HydrophobicContact CD1-SD 4.29Å; L844-M852 HydrophobicContact CD2-CB 4.31Å; L844-M852 HydrophobicContact CD2-CE 3.75Å; L844-M852 HydrophobicContact CD2-CG 4.11Å; L844-M852 HydrophobicContact CD2-SD 3.5Å; L844-M852 VanDerWaalsContact CD2-SD 3.5Å; Y849-M852 HydrophobicContact CD1-SD 4.32Å; Y849-M852 WeakPolarHBondContact O-CA 3.36Å; Y849-M852 VanDerWaalsContact O-CB 3.28Å; Y849-M852 WeakPolarHBondContact O-CB 3.47Å; Y849-M852 PolarHBondContact O-N 3.39Å; L850-M852 VanDerWaalsContact C-N 3.28Å; L850-M852 PolarHBondContact O-N 3.19Å; M852-N855 PolarHBondContact O-N 2.72Å; M852-M856 PolarHBondContact O-N 2.84Å; M852-M856 VanDerWaalsContact O-N 3.11Å
853	A	89.3	Confident	87.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-49.1	171.1	0	0	0	0	0	111.5	I841 L844 I845 Y849 L850 N855 M856 M857 M893	I841-A853 HydrophobicContact CG2-CB 3.94Å; L844-A853 HydrophobicContact CB-CB 4Å; I845-A853 HydrophobicContact CD1-CB 4.37Å; I845-A853 HydrophobicContact CG1-CB 3.75Å; Y849-A853 PolarHBondContact O-N 2.99Å; L850-A853 PolarHBondContact O-N 3.14Å; A853-N855 PolarHBondContact O-N 3.23Å; A853-M856 WeakPolarHBondContact O-CB 3.46Å; A853-M856 PolarHBondContact O-N 2.96Å; A853-M856 VanDerWaalsContact O-N 3.12Å; A853-M857 WeakPolarHBondContact O-CG 3.33Å; A853-M857 PolarHBondContact O-N 3Å; A853-M893 HydrophobicContact CB-CE 4Å; A853-M893 HydrophobicContact CB-SD 4.49Å
854	R	89.7	Confident	87.6	Confident	67 Å²	67	44.2 Å²	44.2	25%	0.253	20%	0.202	S	C	.	.	H	α-helix	trans	-53.8	-49.4	177.2	-174.8	174.8	172.8	-90.8	-7.1	112.1	L850 E851 M856 M857 V858 M893 A894	L850-R854 VanDerWaalsContact O-CB 3.28Å; L850-R854 WeakPolarHBondContact O-CB 3.36Å; L850-R854 PolarHBondContact O-N 2.89Å; E851-R854 IonicContact OE1-CZ 3.69Å; E851-R854 IonicContact OE1-NH1 2.77Å; E851-R854 PolarHBondContact OE1-NH1 2.85Å; R854-M856 VanDerWaalsContact C-N 3.32Å; R854-M856 PolarHBondContact O-N 3.21Å; R854-M857 PolarHBondContact O-N 3.09Å; R854-M857 VanDerWaalsContact O-N 3.12Å; R854-V858 WeakPolarHBondContact O-CG2 3.41Å; R854-V858 PolarHBondContact O-N 3.04Å; R854-M893 WeakPolarHBondContact CA-SD 3.43Å; R854-M893 HydrophobicContact CB-CG 4.39Å; R854-M893 HydrophobicContact CB-SD 3.5Å; R854-M893 VanDerWaalsContact CB-SD 3.5Å; R854-M893 HydrophobicContact CG-CG 4.44Å; R854-M893 HydrophobicContact CG-SD 4.11Å; R854-M893 PolarHBondContact N-SD 2.75Å; R854-A894 PolarHBondContact NE-O 2.69Å; R854-A894 VanDerWaalsContact NE-O 3.16Å
855	N	86.7	Confident	87.4	Confident	53 Å²	53	50.5 Å²	50.5	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-66.5	-31.9	-179.4	-73.7	-33.3	0	0	0	112.8	P797 F798 E851 M852 A853 Y859	P797-N855 HydrophobicContact CB-CB 3.93Å; P797-N855 HydrophobicContact CG-CB 4.35Å; F798-N855 HydrophobicContact CE1-CB 3.98Å; F798-N855 HydrophobicContact CZ-CB 4.24Å; E851-N855 WeakPolarHBondContact O-CB 3.43Å; E851-N855 VanDerWaalsContact O-CG 3.24Å; E851-N855 PolarHBondContact O-N 3.05Å; E851-N855 PolarHBondContact O-ND2 2.99Å; M852-N855 PolarHBondContact O-N 2.72Å; A853-N855 PolarHBondContact O-N 3.23Å; N855-Y859 VanDerWaalsContact O-CB 3.29Å; N855-Y859 WeakPolarHBondContact O-CB 3.44Å; N855-Y859 PolarHBondContact O-N 3.33Å
856	M	88.4	Confident	87.1	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-43.8	168.4	-70.5	-155	65.6	0	0	112.5	F796 F798 V815 V837 F840 I841 L844 M852 A853 R854 Y859 L860	F796-M856 HydrophobicContact CZ-CE 4.13Å; F798-M856 HydrophobicContact CE2-CG 3.46Å; F798-M856 VanDerWaalsContact CE2-CG 3.46Å; F798-M856 HydrophobicContact CE2-SD 4.02Å; F798-M856 HydrophobicContact CZ-CG 3.51Å; V815-M856 HydrophobicContact CG1-CE 3.77Å; V837-M856 HydrophobicContact CG1-CE 4.05Å; F840-M856 HydrophobicContact CD1-CE 4.33Å; F840-M856 HydrophobicContact CD1-SD 3.53Å; F840-M856 VanDerWaalsContact CD1-SD 3.53Å; F840-M856 HydrophobicContact CE1-SD 3.69Å; I841-M856 HydrophobicContact CD1-CB 3.75Å; I841-M856 HydrophobicContact CD1-CE 4.17Å; I841-M856 HydrophobicContact CD1-SD 4.34Å; I841-M856 HydrophobicContact CG1-CB 3.76Å; I841-M856 HydrophobicContact CG1-CE 4Å; I841-M856 HydrophobicContact CG1-CG 4.24Å; I841-M856 HydrophobicContact CG1-SD 3.64Å; L844-M856 HydrophobicContact CD1-CG 4.5Å; L844-M856 HydrophobicContact CD1-SD 4.1Å; M852-M856 PolarHBondContact O-N 2.84Å; M852-M856 VanDerWaalsContact O-N 3.11Å; A853-M856 WeakPolarHBondContact O-CB 3.46Å; A853-M856 PolarHBondContact O-N 2.96Å; A853-M856 VanDerWaalsContact O-N 3.12Å; R854-M856 VanDerWaalsContact C-N 3.32Å; R854-M856 PolarHBondContact O-N 3.21Å; M856-Y859 PolarHBondContact O-N 3.02Å; M856-L860 WeakPolarHBondContact O-CB 3.28Å; M856-L860 WeakPolarHBondContact O-CG 3.33Å; M856-L860 PolarHBondContact O-N 2.92Å
857	M	90.7	Very high	87	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-37.6	-179.7	-62.7	178.4	91	0	0	112.3	I841 A853 R854 R861 L878 I881 Q882 M893 I895	I841-M857 HydrophobicContact CG2-CG 4.2Å; A853-M857 WeakPolarHBondContact O-CG 3.33Å; A853-M857 PolarHBondContact O-N 3Å; R854-M857 PolarHBondContact O-N 3.09Å; R854-M857 VanDerWaalsContact O-N 3.12Å; M857-R861 PolarHBondContact O-N 3.19Å; M857-R861 VanDerWaalsContact O-N 3.1Å; M857-L878 HydrophobicContact CB-CD2 3.71Å; M857-L878 HydrophobicContact CE-CD2 3.67Å; M857-L878 HydrophobicContact CG-CD2 3.67Å; M857-I881 HydrophobicContact CE-CB 3.74Å; M857-I881 HydrophobicContact CE-CG2 3.35Å; M857-I881 HydrophobicContact SD-CG2 3.67Å; M857-Q882 HydrophobicContact CE-CG 4.01Å; M857-M893 HydrophobicContact SD-SD 3.86Å; M857-I895 HydrophobicContact CB-CD1 3.63Å; M857-I895 HydrophobicContact CB-CG1 4.12Å; M857-I895 HydrophobicContact CE-CD1 3.81Å; M857-I895 HydrophobicContact CG-CD1 4.38Å; M857-I895 HydrophobicContact SD-CD1 4.02Å
858	V	88.6	Confident	87.1	Confident	48 Å²	48	52.6 Å²	52.6	29%	0.291	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-48.8	170	173	0	0	0	0	110.7	R854 L860 R861 E862 I895	R854-V858 WeakPolarHBondContact O-CG2 3.41Å; R854-V858 PolarHBondContact O-N 3.04Å; V858-L860 VanDerWaalsContact C-N 3.31Å; V858-L860 PolarHBondContact O-N 3.28Å; V858-R861 PolarHBondContact O-N 3.02Å; V858-E862 PolarHBondContact O-N 2.82Å; V858-I895 HydrophobicContact CG2-CG2 3.82Å
859	Y	88	Confident	87.2	Confident	16 Å²	16	48.4 Å²	48.4	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-39.6	179.6	-170.7	-93.8	0	0	0	112.4	L794 E795 F796 P797 V819 I823 N855 M856 E862 A863	L794-Y859 HydrophobicContact CB-CE2 4.47Å; L794-Y859 HydrophobicContact CD1-CD2 4.38Å; L794-Y859 HydrophobicContact CD1-CE2 4.24Å; L794-Y859 HydrophobicContact CD2-CD2 4.4Å; L794-Y859 HydrophobicContact CD2-CE2 3.96Å; L794-Y859 HydrophobicContact CG-CD2 4.08Å; L794-Y859 HydrophobicContact CG-CE2 3.51Å; L794-Y859 WeakPolarHBondContact O-CE2 3.42Å; L794-Y859 PolarHBondContact O-OH 3.06Å; E795-Y859 VanDerWaalsContact O-CE2 3.3Å; E795-Y859 WeakPolarHBondContact O-CE2 3.05Å; F796-Y859 HydrophobicContact CB-CE2 4.42Å; F796-Y859 HydrophobicContact CD2-CD1 4.13Å; F796-Y859 AromaticContact CD2-CE1 3.64Å; F796-Y859 HydrophobicContact CD2-CE1 3.64Å; F796-Y859 AromaticContact CD2-CZ 3.88Å; F796-Y859 HydrophobicContact CE2-CD1 4.39Å; F796-Y859 HydrophobicContact CE2-CE1 4.21Å; P797-Y859 HydrophobicContact CG-CD2 4.36Å; P797-Y859 HydrophobicContact CG-CG 4.31Å; V819-Y859 HydrophobicContact CG1-CD1 3.86Å; V819-Y859 HydrophobicContact CG1-CE1 3.74Å; I823-Y859 HydrophobicContact CD1-CE1 3.81Å; I823-Y859 VanDerWaalsContact CD1-OH 3.3Å; I823-Y859 WeakPolarHBondContact CD1-OH 3.42Å; N855-Y859 VanDerWaalsContact O-CB 3.29Å; N855-Y859 WeakPolarHBondContact O-CB 3.44Å; N855-Y859 PolarHBondContact O-N 3.33Å; M856-Y859 PolarHBondContact O-N 3.02Å; Y859-E862 PolarHBondContact O-N 3.05Å; Y859-A863 WeakPolarHBondContact O-CB 3.11Å; Y859-A863 PolarHBondContact O-N 3.19Å
860	L	89.1	Confident	87.2	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-43.1	175.3	-79.2	173.9	0	0	0	112.3	V819 W822 V837 I841 M856 V858 E862 A863 M864 V874 L878	V819-L860 HydrophobicContact CG1-CD2 3.73Å; V819-L860 HydrophobicContact CG2-CD2 4.37Å; W822-L860 HydrophobicContact CE3-CD2 4.32Å; W822-L860 HydrophobicContact CZ3-CD2 3.87Å; V837-L860 HydrophobicContact CG1-CD1 4.18Å; V837-L860 HydrophobicContact CG1-CD2 4.44Å; I841-L860 HydrophobicContact CD1-CD1 3.59Å; M856-L860 WeakPolarHBondContact O-CB 3.28Å; M856-L860 WeakPolarHBondContact O-CG 3.33Å; M856-L860 PolarHBondContact O-N 2.92Å; V858-L860 VanDerWaalsContact C-N 3.31Å; V858-L860 PolarHBondContact O-N 3.28Å; L860-E862 PolarHBondContact O-N 3.4Å; L860-A863 WeakPolarHBondContact O-CB 3.45Å; L860-A863 PolarHBondContact O-N 3.34Å; L860-M864 VanDerWaalsContact O-CG 3.32Å; L860-M864 WeakPolarHBondContact O-CG 3.18Å; L860-M864 PolarHBondContact O-N 3.29Å; L860-V874 HydrophobicContact CB-CG1 3.73Å; L860-V874 HydrophobicContact CD1-CG1 4.39Å; L860-V874 HydrophobicContact CD2-CG1 4.03Å; L860-V874 HydrophobicContact CD2-CG2 4.48Å; L860-V874 HydrophobicContact CG-CG1 4.26Å; L860-L878 HydrophobicContact CB-CD2 4.49Å; L860-L878 HydrophobicContact CD1-CD2 4.27Å
861	R	87.8	Confident	87.2	Confident	82 Å²	82	47.7 Å²	47.7	31%	0.309	22%	0.223	S	C	.	.	H	α-helix	trans	-61.9	-40.3	171.9	-78.2	-165	-177.5	166.9	7.6	112.9	M857 V858 A863 M864 R865 L878 I895 N897	M857-R861 PolarHBondContact O-N 3.19Å; M857-R861 VanDerWaalsContact O-N 3.1Å; V858-R861 PolarHBondContact O-N 3.02Å; R861-A863 VanDerWaalsContact C-N 3.34Å; R861-M864 WeakPolarHBondContact O-CB 3.26Å; R861-M864 PolarHBondContact O-N 2.83Å; R861-R865 WeakPolarHBondContact O-CB 3.41Å; R861-R865 PolarHBondContact O-N 3.21Å; R861-L878 HydrophobicContact CG-CD1 3.94Å; R861-I895 PolarHBondContact NH1-O 3.37Å; R861-N897 PolarHBondContact NH1-OD1 3.22Å
862	E	84.8	Confident	87.4	Confident	45 Å²	45	48.7 Å²	48.7	21%	0.21	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-34.3	177.4	-165.4	66.6	-118.2	0	0	111.8	L794 V858 Y859 L860 R865 K866	L794-E862 HydrophobicContact CD1-CB 4.03Å; L794-E862 HydrophobicContact CD1-CG 3.37Å; L794-E862 HydrophobicContact CD2-CB 4.31Å; L794-E862 HydrophobicContact CD2-CG 4.11Å; L794-E862 HydrophobicContact CG-CG 4.41Å; V858-E862 PolarHBondContact O-N 2.82Å; Y859-E862 PolarHBondContact O-N 3.05Å; L860-E862 PolarHBondContact O-N 3.4Å; E862-R865 PolarHBondContact O-N 3.05Å; E862-R865 IonicContact OE1-CZ 2.73Å; E862-R865 IonicContact OE1-NE 2.67Å; E862-R865 IonicContact OE1-NH1 2.6Å; E862-R865 PolarHBondContact OE1-NH1 3.15Å; E862-R865 IonicContact OE2-CZ 3.81Å; E862-R865 IonicContact OE2-NH1 3.31Å; E862-R865 PolarHBondContact OE2-NH1 3.33Å; E862-R865 IonicContact OE2-NH2 2.88Å; E862-K866 WeakPolarHBondContact O-CG 3.38Å; E862-K866 PolarHBondContact O-N 3.46Å; E862-K866 VanDerWaalsContact O-N 3.13Å
863	A	84.8	Confident	87.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-45.9	171	0	0	0	0	0	111.7	I823 Y859 L860 R861 R865 K866 N867 L870	I823-A863 HydrophobicContact CD1-CB 4.31Å; I823-A863 HydrophobicContact CG1-CB 3.72Å; Y859-A863 WeakPolarHBondContact O-CB 3.11Å; Y859-A863 PolarHBondContact O-N 3.19Å; L860-A863 WeakPolarHBondContact O-CB 3.45Å; L860-A863 PolarHBondContact O-N 3.34Å; R861-A863 VanDerWaalsContact C-N 3.34Å; A863-R865 VanDerWaalsContact C-N 3.3Å; A863-R865 PolarHBondContact O-N 2.67Å; A863-K866 PolarHBondContact O-N 3.37Å; A863-N867 PolarHBondContact O-N 3.26Å; A863-L870 HydrophobicContact CB-CD1 4.07Å
864	M	88.1	Confident	87.4	Confident	27 Å²	27	49 Å²	49	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-41.4	172.3	-67.8	160.1	52.4	0	0	112.4	L860 R861 K866 N867 L870 V874 E875 L878	L860-M864 VanDerWaalsContact O-CG 3.32Å; L860-M864 WeakPolarHBondContact O-CG 3.18Å; L860-M864 PolarHBondContact O-N 3.29Å; R861-M864 WeakPolarHBondContact O-CB 3.26Å; R861-M864 PolarHBondContact O-N 2.83Å; M864-K866 VanDerWaalsContact C-N 3.25Å; M864-K866 PolarHBondContact O-N 3.45Å; M864-N867 CarbonylContact O-C 3.47Å; M864-N867 VanDerWaalsContact O-C 3.25Å; M864-N867 PolarHBondContact O-N 2.84Å; M864-L870 HydrophobicContact CG-CB 4.32Å; M864-V874 HydrophobicContact CG-CB 3.72Å; M864-V874 HydrophobicContact CG-CG1 3.76Å; M864-V874 HydrophobicContact CG-CG2 4.35Å; M864-V874 HydrophobicContact SD-CB 3.75Å; M864-V874 HydrophobicContact SD-CG1 3.43Å; M864-V874 WeakPolarHBondContact SD-CG1 3.28Å; M864-E875 HydrophobicContact CE-CG 3.44Å; M864-E875 VanDerWaalsContact CE-CG 3.44Å; M864-E875 HydrophobicContact SD-CG 4.42Å; M864-L878 HydrophobicContact SD-CD1 4.06Å
865	R	85.3	Confident	87.4	Confident	133 Å²	133	49.2 Å²	49.2	50%	0.502	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-30.1	179.6	-161.4	-169.2	-65.2	154.6	-8.7	112.1	R861 E862 A863 N897	R861-R865 WeakPolarHBondContact O-CB 3.41Å; R861-R865 PolarHBondContact O-N 3.21Å; E862-R865 PolarHBondContact O-N 3.05Å; E862-R865 IonicContact OE1-CZ 2.73Å; E862-R865 IonicContact OE1-NE 2.67Å; E862-R865 IonicContact OE1-NH1 2.6Å; E862-R865 PolarHBondContact OE1-NH1 3.15Å; E862-R865 IonicContact OE2-CZ 3.81Å; E862-R865 IonicContact OE2-NH1 3.31Å; E862-R865 PolarHBondContact OE2-NH1 3.33Å; E862-R865 IonicContact OE2-NH2 2.88Å; A863-R865 VanDerWaalsContact C-N 3.3Å; A863-R865 PolarHBondContact O-N 2.67Å; R865-N897 PolarHBondContact NH2-OXT 2.59Å
866	K	84.1	Confident	87.5	Confident	101 Å²	101	50.1 Å²	50.1	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-90.9	-28.9	178.6	-68.9	179.8	-174.6	-178.2	0	113.6	L794 E862 A863 M864	L794-K866 HydrophobicContact CD2-CD 4.29Å; E862-K866 WeakPolarHBondContact O-CG 3.38Å; E862-K866 PolarHBondContact O-N 3.46Å; E862-K866 VanDerWaalsContact O-N 3.13Å; A863-K866 PolarHBondContact O-N 3.37Å; M864-K866 VanDerWaalsContact C-N 3.25Å; M864-K866 PolarHBondContact O-N 3.45Å
867	N	86.8	Confident	87.6	Confident	16 Å²	16	50.7 Å²	50.7	9%	0.086	25%	0.251	C	S	.	.			trans	-129.5	96	174.2	-173.2	-0.2	0	0	0	111	W822 S825 A863 M864 I869 L870	W822-N867 PolarHBondContact O-ND2 3.37Å; S825-N867 PolarHBondContact O-ND2 3.14Å; A863-N867 PolarHBondContact O-N 3.26Å; M864-N867 CarbonylContact O-C 3.47Å; M864-N867 VanDerWaalsContact O-C 3.25Å; M864-N867 PolarHBondContact O-N 2.84Å; N867-I869 PolarHBondContact O-N 3.22Å; N867-I869 WeakPolarHBondContact OD1-CB 3.49Å; N867-I869 WeakPolarHBondContact OD1-CG1 3.43Å; N867-I869 PolarHBondContact OD1-N 3.04Å; N867-L870 HydrophobicContact CB-CD1 4.05Å; N867-L870 HydrophobicContact CB-CG 4.03Å; N867-L870 WeakPolarHBondContact O-CB 3.44Å; N867-L870 WeakPolarHBondContact O-CG 3.45Å; N867-L870 PolarHBondContact O-N 2.99Å
868	P	86.8	Confident	87.6	Confident	101 Å²	101	51.4 Å²	51.4	66%	0.656	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-58.5	-19.6	-178.5	-27.5	36.2	0	0	0	115.4	L870 K871	P868-L870 PolarHBondContact O-N 3.33Å; P868-K871 VanDerWaalsContact O-CB 3.26Å; P868-K871 WeakPolarHBondContact O-CB 3.45Å; P868-K871 PolarHBondContact O-N 2.92Å; P868-K871 VanDerWaalsContact O-N 3.14Å
869	I	87.6	Confident	87.7	Confident	70 Å²	70	54.7 Å²	54.7	36%	0.359	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-60.4	-30.8	175.2	-60.2	175.1	0	0	0	110.8	T826 L828 N867 K871	T826-I869 WeakPolarHBondContact O-CD1 3.36Å; L828-I869 HydrophobicContact CB-CG2 4.48Å; L828-I869 HydrophobicContact CD1-CG2 3.98Å; L828-I869 WeakPolarHBondContact CD1-O 3.34Å; N867-I869 PolarHBondContact O-N 3.22Å; N867-I869 WeakPolarHBondContact OD1-CB 3.49Å; N867-I869 WeakPolarHBondContact OD1-CG1 3.43Å; N867-I869 PolarHBondContact OD1-N 3.04Å; I869-K871 PolarHBondContact O-N 2.98Å
870	L	87.5	Confident	87.8	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-74.4	-10.1	-179.5	-53.1	-177.9	0	0	0	113.7	W822 P829 A863 M864 N867 P868 L872 P873 V874	W822-L870 HydrophobicContact CB-CD1 3.85Å; W822-L870 HydrophobicContact CB-CD2 3.77Å; W822-L870 HydrophobicContact CB-CG 4.48Å; W822-L870 HydrophobicContact CG-CD2 4.33Å; P829-L870 HydrophobicContact CG-CD2 4.09Å; A863-L870 HydrophobicContact CB-CD1 4.07Å; M864-L870 HydrophobicContact CG-CB 4.32Å; N867-L870 HydrophobicContact CB-CD1 4.05Å; N867-L870 HydrophobicContact CB-CG 4.03Å; N867-L870 WeakPolarHBondContact O-CB 3.44Å; N867-L870 WeakPolarHBondContact O-CG 3.45Å; N867-L870 PolarHBondContact O-N 2.99Å; P868-L870 PolarHBondContact O-N 3.33Å; L870-L872 PolarHBondContact O-N 2.96Å; L870-P873 WeakPolarHBondContact O-CD 3.26Å; L870-P873 WeakPolarHBondContact O-CG 3.44Å; L870-V874 HydrophobicContact CB-CG2 4.05Å; L870-V874 VanDerWaalsContact O-CB 3.29Å; L870-V874 WeakPolarHBondContact O-CB 3.41Å; L870-V874 VanDerWaalsContact O-CG2 3.29Å; L870-V874 WeakPolarHBondContact O-CG2 3.13Å; L870-V874 PolarHBondContact O-N 2.7Å; L870-V874 VanDerWaalsContact O-N 3.11Å
871	K	87.5	Confident	88	Confident	113 Å²	113	56.5 Å²	56.5	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-52.1	-61.9	-170.3	-176.6	-178.9	176.6	-172.8	0	112.3	P868 I869 V874 E875	P868-K871 VanDerWaalsContact O-CB 3.26Å; P868-K871 WeakPolarHBondContact O-CB 3.45Å; P868-K871 PolarHBondContact O-N 2.92Å; P868-K871 VanDerWaalsContact O-N 3.14Å; I869-K871 PolarHBondContact O-N 2.98Å; K871-V874 PolarHBondContact O-N 3.3Å; K871-E875 WeakPolarHBondContact CE-OE1 3.37Å; K871-E875 WeakPolarHBondContact CE-OE2 3.16Å; K871-E875 VanDerWaalsContact CG-CD 3.44Å; K871-E875 HydrophobicContact CG-CG 4.29Å; K871-E875 WeakPolarHBondContact CG-OE1 3.32Å; K871-E875 WeakPolarHBondContact CG-OE2 3.49Å; K871-E875 VanDerWaalsContact O-CB 3.3Å; K871-E875 WeakPolarHBondContact O-CB 3.34Å; K871-E875 VanDerWaalsContact O-CG 3.28Å; K871-E875 WeakPolarHBondContact O-CG 3.43Å; K871-E875 PolarHBondContact O-N 3.24Å
872	L	87.5	Confident	88.2	Confident	124 Å²	124	54.3 Å²	54.3	65%	0.649	28%	0.276	S	S	*	.	H	α-helix	trans	-59.1	-56.2	-176.1	-179.6	65	0	0	0	113.7	L870 V874 E875 T876	L870-L872 PolarHBondContact O-N 2.96Å; L872-V874 VanDerWaalsContact C-N 3.27Å; L872-V874 PolarHBondContact O-N 3.08Å; L872-E875 PolarHBondContact O-N 3.05Å; L872-T876 PolarHBondContact O-N 2.82Å; L872-T876 PolarHBondContact O-OG1 3.04Å
873	P	87.7	Confident	88.5	Confident	22 Å²	22	58.4 Å²	58.4	14%	0.143	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-29	-176.7	24.1	-34.1	0	0	0	113.5	L828 P829 V834 L870 A877	L828-P873 HydrophobicContact CD1-CG 3.93Å; L828-P873 HydrophobicContact CG-CG 4.43Å; P829-P873 HydrophobicContact CG-CB 4.19Å; P829-P873 HydrophobicContact CG-CG 3.76Å; V834-P873 HydrophobicContact CG1-CB 4.24Å; V834-P873 WeakPolarHBondContact CG1-O 3.34Å; V834-P873 HydrophobicContact CG2-CB 3.98Å; L870-P873 WeakPolarHBondContact O-CD 3.26Å; L870-P873 WeakPolarHBondContact O-CG 3.44Å; P873-A877 WeakPolarHBondContact O-CB 3.46Å; P873-A877 PolarHBondContact O-N 2.92Å
874	V	88.5	Confident	88.8	Confident	2 Å²	2	60 Å²	60	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-87.3	-33	-179.1	-177	0	0	0	0	112	W822 L860 M864 L870 K871 L872 A877 L878	W822-V874 HydrophobicContact CE3-CG2 4.44Å; W822-V874 HydrophobicContact CZ3-CG2 4.22Å; L860-V874 HydrophobicContact CB-CG1 3.73Å; L860-V874 HydrophobicContact CD1-CG1 4.39Å; L860-V874 HydrophobicContact CD2-CG1 4.03Å; L860-V874 HydrophobicContact CD2-CG2 4.48Å; L860-V874 HydrophobicContact CG-CG1 4.26Å; M864-V874 HydrophobicContact CG-CB 3.72Å; M864-V874 HydrophobicContact CG-CG1 3.76Å; M864-V874 HydrophobicContact CG-CG2 4.35Å; M864-V874 HydrophobicContact SD-CB 3.75Å; M864-V874 HydrophobicContact SD-CG1 3.43Å; M864-V874 WeakPolarHBondContact SD-CG1 3.28Å; L870-V874 HydrophobicContact CB-CG2 4.05Å; L870-V874 VanDerWaalsContact O-CB 3.29Å; L870-V874 WeakPolarHBondContact O-CB 3.41Å; L870-V874 VanDerWaalsContact O-CG2 3.29Å; L870-V874 WeakPolarHBondContact O-CG2 3.13Å; L870-V874 PolarHBondContact O-N 2.7Å; L870-V874 VanDerWaalsContact O-N 3.11Å; K871-V874 PolarHBondContact O-N 3.3Å; L872-V874 VanDerWaalsContact C-N 3.27Å; L872-V874 PolarHBondContact O-N 3.08Å; V874-A877 PolarHBondContact O-N 3.01Å; V874-L878 HydrophobicContact CG1-CD1 3.96Å; V874-L878 HydrophobicContact CG1-CG 4.19Å; V874-L878 WeakPolarHBondContact O-CB 3.22Å; V874-L878 WeakPolarHBondContact O-CG 3.49Å; V874-L878 PolarHBondContact O-N 3.16Å
875	E	89.2	Confident	89	Confident	72 Å²	72	59.2 Å²	59.2	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-60.6	-52.3	171.5	-77.4	176.1	168.6	0	0	110.8	M864 K871 L872 A877 L878 E879	M864-E875 HydrophobicContact CE-CG 3.44Å; M864-E875 VanDerWaalsContact CE-CG 3.44Å; M864-E875 HydrophobicContact SD-CG 4.42Å; K871-E875 WeakPolarHBondContact CE-OE1 3.37Å; K871-E875 WeakPolarHBondContact CE-OE2 3.16Å; K871-E875 VanDerWaalsContact CG-CD 3.44Å; K871-E875 HydrophobicContact CG-CG 4.29Å; K871-E875 WeakPolarHBondContact CG-OE1 3.32Å; K871-E875 WeakPolarHBondContact CG-OE2 3.49Å; K871-E875 VanDerWaalsContact O-CB 3.3Å; K871-E875 WeakPolarHBondContact O-CB 3.34Å; K871-E875 VanDerWaalsContact O-CG 3.28Å; K871-E875 WeakPolarHBondContact O-CG 3.43Å; K871-E875 PolarHBondContact O-N 3.24Å; L872-E875 PolarHBondContact O-N 3.05Å; E875-A877 VanDerWaalsContact C-N 3.29Å; E875-A877 PolarHBondContact O-N 3.15Å; E875-L878 PolarHBondContact O-N 2.78Å; E875-E879 WeakPolarHBondContact O-CG 3.36Å; E875-E879 PolarHBondContact O-N 2.82Å
876	T	88.3	Confident	89.3	Confident	73 Å²	73	56.4 Å²	56.4	45%	0.448	30%	0.296	S	S	.	.	H	α-helix	trans	-59.5	-38.5	177.5	-55.3	0	0	0	0	112.6	L872 E879 S880	L872-T876 PolarHBondContact O-N 2.82Å; L872-T876 PolarHBondContact O-OG1 3.04Å; T876-E879 PolarHBondContact O-N 3.02Å; T876-S880 PolarHBondContact O-N 2.9Å
877	A	90.1	Very high	89.5	Confident	15 Å²	15	58.8 Å²	58.8	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-65.6	-41.9	174.9	0	0	0	0	0	112.4	V834 A838 P873 V874 E875 I881	V834-A877 HydrophobicContact CG1-CB 4.08Å; A838-A877 HydrophobicContact CB-CB 4.32Å; P873-A877 WeakPolarHBondContact O-CB 3.46Å; P873-A877 PolarHBondContact O-N 2.92Å; V874-A877 PolarHBondContact O-N 3.01Å; E875-A877 VanDerWaalsContact C-N 3.29Å; E875-A877 PolarHBondContact O-N 3.15Å; A877-I881 WeakPolarHBondContact O-CD1 3.42Å; A877-I881 WeakPolarHBondContact O-CG1 3.34Å; A877-I881 PolarHBondContact O-N 2.86Å
878	L	92.1	Very high	89.6	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-33.7	177.4	-71.1	172.7	0	0	0	112.2	M857 L860 R861 M864 V874 E875 I881 Q882	M857-L878 HydrophobicContact CB-CD2 3.71Å; M857-L878 HydrophobicContact CE-CD2 3.67Å; M857-L878 HydrophobicContact CG-CD2 3.67Å; L860-L878 HydrophobicContact CB-CD2 4.49Å; L860-L878 HydrophobicContact CD1-CD2 4.27Å; R861-L878 HydrophobicContact CG-CD1 3.94Å; M864-L878 HydrophobicContact SD-CD1 4.06Å; V874-L878 HydrophobicContact CG1-CD1 3.96Å; V874-L878 HydrophobicContact CG1-CG 4.19Å; V874-L878 WeakPolarHBondContact O-CB 3.22Å; V874-L878 WeakPolarHBondContact O-CG 3.49Å; V874-L878 PolarHBondContact O-N 3.16Å; E875-L878 PolarHBondContact O-N 2.78Å; L878-I881 PolarHBondContact O-N 3.42Å; L878-Q882 VanDerWaalsContact O-CG 3.25Å; L878-Q882 WeakPolarHBondContact O-CG 3.4Å; L878-Q882 PolarHBondContact O-N 3.36Å
879	E	90.4	Very high	89.8	Confident	117 Å²	117	61.4 Å²	61.4	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-53.8	175.2	-74.1	169.8	156.3	0	0	111	E875 T876 I881 Q882 E883	E875-E879 WeakPolarHBondContact O-CG 3.36Å; E875-E879 PolarHBondContact O-N 2.82Å; T876-E879 PolarHBondContact O-N 3.02Å; E879-I881 VanDerWaalsContact C-N 3.27Å; E879-I881 PolarHBondContact O-N 2.88Å; E879-Q882 WeakPolarHBondContact O-CA 3.39Å; E879-Q882 WeakPolarHBondContact O-CB 3.47Å; E879-Q882 PolarHBondContact O-N 3.43Å; E879-E883 PolarHBondContact O-N 2.89Å
880	S	89.6	Confident	89.9	Confident	56 Å²	56	61.2 Å²	61.2	39%	0.392	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-28.7	177.5	-60.4	0	0	0	0	114	T876 E883 I884	T876-S880 PolarHBondContact O-N 2.9Å; S880-E883 WeakPolarHBondContact CA-OE2 3.4Å; S880-I884 WeakPolarHBondContact O-CG1 3.3Å; S880-I884 PolarHBondContact O-N 3.01Å
881	I	93.3	Very high	90	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-69.7	-35.2	171.7	-65.2	160.8	0	0	0	111.1	A838 I841 V842 I845 M857 A877 L878 E879 M885	A838-I881 HydrophobicContact CB-CD1 4.32Å; I841-I881 HydrophobicContact CB-CD1 3.98Å; I841-I881 HydrophobicContact CD1-CD1 3.87Å; I841-I881 HydrophobicContact CG2-CD1 3.97Å; I841-I881 HydrophobicContact CG2-CG1 4.46Å; I841-I881 HydrophobicContact CG2-CG2 3.82Å; V842-I881 HydrophobicContact CG2-CG1 4.09Å; I845-I881 HydrophobicContact CD1-CG2 3.51Å; M857-I881 HydrophobicContact CE-CB 3.74Å; M857-I881 HydrophobicContact CE-CG2 3.35Å; M857-I881 HydrophobicContact SD-CG2 3.67Å; A877-I881 WeakPolarHBondContact O-CD1 3.42Å; A877-I881 WeakPolarHBondContact O-CG1 3.34Å; A877-I881 PolarHBondContact O-N 2.86Å; L878-I881 PolarHBondContact O-N 3.42Å; E879-I881 VanDerWaalsContact C-N 3.27Å; E879-I881 PolarHBondContact O-N 2.88Å; I881-M885 WeakPolarHBondContact O-CG 3.39Å; I881-M885 PolarHBondContact O-N 3.08Å
882	Q	92.6	Very high	90.2	Very high	37 Å²	37	62.2 Å²	62.2	17%	0.173	35%	0.347	C	S	.	.	H	α-helix	trans	-71.1	-34.3	175.6	-71.3	-72.2	9.5	0	0	112.4	M857 L878 E879 M885 V886 P892 M893	M857-Q882 HydrophobicContact CE-CG 4.01Å; L878-Q882 VanDerWaalsContact O-CG 3.25Å; L878-Q882 WeakPolarHBondContact O-CG 3.4Å; L878-Q882 PolarHBondContact O-N 3.36Å; E879-Q882 WeakPolarHBondContact O-CA 3.39Å; E879-Q882 WeakPolarHBondContact O-CB 3.47Å; E879-Q882 PolarHBondContact O-N 3.43Å; Q882-M885 WeakPolarHBondContact O-CB 3.36Å; Q882-M885 PolarHBondContact O-N 3.43Å; Q882-V886 WeakPolarHBondContact O-CG2 3.29Å; Q882-V886 PolarHBondContact O-N 3.31Å; Q882-P892 VanDerWaalsContact OE1-CA 3.25Å; Q882-P892 VanDerWaalsContact OE1-CB 3.23Å; Q882-M893 PolarHBondContact NE2-O 3.39Å
883	E	91.4	Very high	90.3	Very high	131 Å²	131	57.3 Å²	57.3	61%	0.612	32%	0.321	S	S	*	.	H	α-helix	trans	-58.9	-49	171.4	-67.8	175.6	144.2	0	0	110.9	E879 S880 M885 V886 E887	E879-E883 PolarHBondContact O-N 2.89Å; S880-E883 WeakPolarHBondContact CA-OE2 3.4Å; E883-M885 VanDerWaalsContact C-N 3.31Å; E883-M885 PolarHBondContact O-N 3.35Å; E883-V886 PolarHBondContact O-N 2.77Å; E883-V886 VanDerWaalsContact O-N 3.08Å; E883-E887 PolarHBondContact O-N 3.07Å
884	I	91.1	Very high	90.2	Very high	33 Å²	33	59.4 Å²	59.4	17%	0.169	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-34.7	177.1	-66.6	165.2	0	0	0	112	V842 I845 Y846 S880 E887 E888	V842-I884 HydrophobicContact CB-CD1 4.46Å; V842-I884 HydrophobicContact CG1-CD1 4Å; V842-I884 HydrophobicContact CG1-CG2 4.47Å; V842-I884 HydrophobicContact CG2-CD1 3.55Å; I845-I884 HydrophobicContact CG2-CG2 4.49Å; Y846-I884 HydrophobicContact CE2-CG2 4.49Å; S880-I884 WeakPolarHBondContact O-CG1 3.3Å; S880-I884 PolarHBondContact O-N 3.01Å; I884-E887 PolarHBondContact O-N 2.85Å; I884-E888 WeakPolarHBondContact O-CB 3.42Å; I884-E888 PolarHBondContact O-N 3.46Å
885	M	91.7	Very high	89.6	Confident	11 Å²	11	60.1 Å²	60.1	5%	0.054	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-38.5	172.2	-81.9	-61.7	-45.9	0	0	112.8	I845 L850 I881 Q882 E883 Y889 A891 M893	I845-M885 HydrophobicContact CB-SD 4.3Å; I845-M885 HydrophobicContact CD1-CG 3.84Å; I845-M885 HydrophobicContact CD1-SD 3.76Å; I845-M885 HydrophobicContact CG1-CG 4.48Å; I845-M885 HydrophobicContact CG1-SD 3.73Å; I845-M885 HydrophobicContact CG2-SD 3.57Å; I845-M885 VanDerWaalsContact CG2-SD 3.57Å; L850-M885 HydrophobicContact CD2-CE 4.22Å; L850-M885 HydrophobicContact CD2-SD 3.99Å; I881-M885 WeakPolarHBondContact O-CG 3.39Å; I881-M885 PolarHBondContact O-N 3.08Å; Q882-M885 WeakPolarHBondContact O-CB 3.36Å; Q882-M885 PolarHBondContact O-N 3.43Å; E883-M885 VanDerWaalsContact C-N 3.31Å; E883-M885 PolarHBondContact O-N 3.35Å; M885-Y889 HydrophobicContact CE-CD2 3.72Å; M885-Y889 HydrophobicContact CE-CG 3.95Å; M885-Y889 WeakPolarHBondContact O-CA 3.33Å; M885-Y889 WeakPolarHBondContact O-CB 3.37Å; M885-Y889 PolarHBondContact O-N 2.76Å; M885-Y889 HydrophobicContact SD-CD2 4.06Å; M885-Y889 HydrophobicContact SD-CE2 4.48Å; M885-A891 CarbonylContact C-O 3.54Å; M885-M893 HydrophobicContact CE-CB 4.26Å; M885-M893 HydrophobicContact CE-CE 3.95Å; M885-M893 HydrophobicContact CG-CB 4.05Å; M885-M893 HydrophobicContact CG-CE 4.23Å; M885-M893 HydrophobicContact SD-CB 4.49Å; M885-M893 HydrophobicContact SD-CE 3.49Å; M885-M893 WeakPolarHBondContact SD-CE 3.3Å
886	V	91.8	Very high	88.4	Confident	73 Å²	73	62.4 Å²	62.4	44%	0.442	36%	0.358	S	S	.	.	H	α-helix	trans	-69.6	-37.3	175.3	172.1	0	0	0	0	111.2	Q882 E883 G890 P892	Q882-V886 WeakPolarHBondContact O-CG2 3.29Å; Q882-V886 PolarHBondContact O-N 3.31Å; E883-V886 PolarHBondContact O-N 2.77Å; E883-V886 VanDerWaalsContact O-N 3.08Å; V886-G890 WeakPolarHBondContact O-CA 3.31Å; V886-G890 PolarHBondContact O-N 2.61Å; V886-P892 HydrophobicContact CG2-CB 4.17Å
887	E	88.7	Confident	86.5	Confident	152 Å²	152	66.6 Å²	66.6	71%	0.71	38%	0.377	S	S	*	.	H	α-helix	trans	-66.2	-52.6	176.6	-172.3	170.6	-159.2	0	0	112.4	E883 I884	E883-E887 PolarHBondContact O-N 3.07Å; I884-E887 PolarHBondContact O-N 2.85Å
888	E	88.7	Confident	86.3	Confident	93 Å²	93	69.2 Å²	69.2	44%	0.435	39%	0.39	S	S	.	.	H	α-helix	trans	-79.2	-31.4	-175.1	-78.9	-78.7	117.8	0	0	114.3	Y846 I884	Y846-E888 HydrophobicContact CD1-CG 4.04Å; Y846-E888 VanDerWaalsContact CE1-CD 3.43Å; Y846-E888 HydrophobicContact CE1-CG 3.64Å; I884-E888 WeakPolarHBondContact O-CB 3.42Å; I884-E888 PolarHBondContact O-N 3.46Å
889	Y	91.7	Very high	86	Confident	79 Å²	79	72.1 Å²	72.1	31%	0.31	41%	0.407	S	S	.	.	H	α-helix	trans	-124.3	0.6	-171.9	-64.5	-92.4	0	0	0	114.3	I845 L850 M885 A891	I845-Y889 HydrophobicContact CG2-CD2 4.22Å; I845-Y889 HydrophobicContact CG2-CE2 3.66Å; I845-Y889 PolarHBondContact O-OH 3.16Å; L850-Y889 HydrophobicContact CD1-CD1 4.22Å; L850-Y889 HydrophobicContact CD1-CE1 3.79Å; L850-Y889 HydrophobicContact CD2-CD2 4.46Å; L850-Y889 HydrophobicContact CD2-CE1 4.36Å; L850-Y889 HydrophobicContact CD2-CE2 3.9Å; M885-Y889 HydrophobicContact CE-CD2 3.72Å; M885-Y889 HydrophobicContact CE-CG 3.95Å; M885-Y889 WeakPolarHBondContact O-CA 3.33Å; M885-Y889 WeakPolarHBondContact O-CB 3.37Å; M885-Y889 PolarHBondContact O-N 2.76Å; M885-Y889 HydrophobicContact SD-CD2 4.06Å; M885-Y889 HydrophobicContact SD-CE2 4.48Å; Y889-A891 PolarHBondContact O-N 3.27Å
890	G	89.3	Confident	85.8	Confident	65 Å²	65	69.6 Å²	69.6	67%	0.67	40%	0.399	S	S	*	.	S	Bend	trans	72.1	4.7	176.6	0	0	0	0	0	115.4	V886	V886-G890 WeakPolarHBondContact O-CA 3.31Å; V886-G890 PolarHBondContact O-N 2.61Å
891	A	89.6	Confident	85.6	Confident	50 Å²	50	70.4 Å²	70.4	41%	0.413	40%	0.399	S	S	.	.	S	Bend	trans	-155.7	146.5	-179	0	0	0	0	0	111.9	M885 Y889	M885-A891 CarbonylContact C-O 3.54Å; Y889-A891 PolarHBondContact O-N 3.27Å
892	P	90.9	Very high	85.1	Confident	86 Å²	86	74.6 Å²	74.6	56%	0.558	42%	0.424	S	S	*	.			trans	-68.3	149.3	174.3	30.4	-35.1	0	0	0	111.3	Q882 V886 A894	Q882-P892 VanDerWaalsContact OE1-CA 3.25Å; Q882-P892 VanDerWaalsContact OE1-CB 3.23Å; V886-P892 HydrophobicContact CG2-CB 4.17Å; P892-A894 PolarHBondContact O-N 3.49Å
893	M	89.4	Confident	84.6	Confident	21 Å²	21	77.1 Å²	77.1	10%	0.103	44%	0.441	C	S	.	.			trans	-72.2	126.5	177.8	-174.2	175.5	-71.6	0	0	111.4	I845 L850 A853 R854 M857 Q882 M885 I895	I845-M893 HydrophobicContact CG1-CE 4.49Å; L850-M893 HydrophobicContact CB-CE 4.31Å; L850-M893 HydrophobicContact CD2-CE 4.02Å; A853-M893 HydrophobicContact CB-CE 4Å; A853-M893 HydrophobicContact CB-SD 4.49Å; R854-M893 WeakPolarHBondContact CA-SD 3.43Å; R854-M893 HydrophobicContact CB-CG 4.39Å; R854-M893 HydrophobicContact CB-SD 3.5Å; R854-M893 VanDerWaalsContact CB-SD 3.5Å; R854-M893 HydrophobicContact CG-CG 4.44Å; R854-M893 HydrophobicContact CG-SD 4.11Å; R854-M893 PolarHBondContact N-SD 2.75Å; M857-M893 HydrophobicContact SD-SD 3.86Å; Q882-M893 PolarHBondContact NE2-O 3.39Å; M885-M893 HydrophobicContact CE-CB 4.26Å; M885-M893 HydrophobicContact CE-CE 3.95Å; M885-M893 HydrophobicContact CG-CB 4.05Å; M885-M893 HydrophobicContact CG-CE 4.23Å; M885-M893 HydrophobicContact SD-CB 4.49Å; M885-M893 HydrophobicContact SD-CE 3.49Å; M885-M893 WeakPolarHBondContact SD-CE 3.3Å; M893-I895 PolarHBondContact O-N 3.01Å; M893-I895 VanDerWaalsContact O-N 3.09Å
894	A	85.1	Confident	84.1	Confident	66 Å²	66	73.3 Å²	73.3	55%	0.545	43%	0.428	S	S	.	.			trans	-71	101.2	178.6	0	0	0	0	0	112.1	R854 P892	R854-A894 PolarHBondContact NE-O 2.69Å; R854-A894 VanDerWaalsContact NE-O 3.16Å; P892-A894 PolarHBondContact O-N 3.49Å
895	I	77	Confident	83.6	Confident	16 Å²	16	76.4 Å²	76.4	8%	0.082	45%	0.448	C	S	.	.			trans	-104.2	87	172.7	-52.8	159.4	0	0	0	107.3	M857 V858 R861 M893	M857-I895 HydrophobicContact CB-CD1 3.63Å; M857-I895 HydrophobicContact CB-CG1 4.12Å; M857-I895 HydrophobicContact CE-CD1 3.81Å; M857-I895 HydrophobicContact CG-CD1 4.38Å; M857-I895 HydrophobicContact SD-CD1 4.02Å; V858-I895 HydrophobicContact CG2-CG2 3.82Å; R861-I895 PolarHBondContact NH1-O 3.37Å; M893-I895 PolarHBondContact O-N 3.01Å; M893-I895 VanDerWaalsContact O-N 3.09Å
896	D	63.6	Low	82.9	Confident	121 Å²	121	81.8 Å²	81.8	65%	0.647	48%	0.481	S	S	*	.			trans	-66	151.1	168.7	-59.9	-51	0	0	0	110.3
897	N	49	Very low	82.1	Confident	160 Å²	160	82.6 Å²	82.6	86%	0.856	49%	0.485	S	S	*	.			trans	-100.3	0	-173.7	-84.4	-18.8	0	0	0	114.2	R861 R865	R861-N897 PolarHBondContact NH1-OD1 3.22Å; R865-N897 PolarHBondContact NH2-OXT 2.59Å

Retrieved 897 of 897 residues in 579.7 ms (Link to these results)

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