A0A077ZC79_TRITR Loading...

Phosphorylase b kinase regulatory subunit

Phosphorylase b kinase catalyzes the phosphorylation of serine in certain substrates, including troponin I.

AlphaFold DB , UniProt , Accession A0A077ZC79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,086 aa.

						>A0A077ZC79_TRITR|A0A077ZC79
MSDPNSTISEGGATAGERRKSYGLWKPALVYSSPEKISCLAKLEFYYNMGYPPSMISHQLLRYQSSTSGLFPQLSSDAKVGHVRDSVYCAMACWALSMAYKKLNDDQGRFYELKQTAVKTMRGILLCWMRQADKLENFKTAHTTSHALHSKFNLFTGEPLTDCPDYGHLQLDAVALFVFTLVQMITGGLEVIYTSDEISFVQNLVFYIERAYRTPDFGMWELGTRYNVGVPELHASSVGMVKAALESINGCNLYGSKGTSSSIICVDVDAHNRNRTTFETLLPRESNSKNVDASLIPTVSYPCFAAHGSLYKKTIEKCVRRLKGKYGLKRFLRDGKYSDLENPNKEYYDAGETKLFDGVECQWPIFFIYLIIDGIIVPQYYYLPKDDIYHERNRPGSQTFVPSSQKQPALFLWGQALYIIACLLKDKLILISDIDPLYRHLPACQRPKFHGRGSTFQGSLSTPIIQVAMIAESQKLQTLLSTYGITTQTPHQVEPVQIWSSNQLVSVFENIGKNPRMGLTGRPRRPIGALGTSKIYRVFGETVLCYPLLFDVQDFYLSSDPEVLIDDIKVRNSFSFFVTVNRFFLKRDLKFVESRWQLDSRPTYCLLLKEDLVLGEHFPKFLNLLVDMRNGHCDGVRIQVGRLQNLLSSSCCEHLDFCVRSADLGFELTPVQEVVGKYSDVSDYSVPQEVVTDKDDEKENYEHTSSEEILNLFLSSLPTALFKQMKLLEVLAKRHGLEHKIGDDTVRQKLQHLCRQASLAKSWWVFCSISQEEKIVRVCAAHLRKVVDSLAPSITSILVRGKRLTIGVFGHEEVTVDSPVTPNEIEDLLFQLCLPYDPPAAVLAQELIIALGHFVMVEPELFSGILKIRIGWLIHALDLTLFDRKEGPPASSIYSMSPTQVKSQLHDLLSMKNFGQLSALQQRQLNGSLNRVPADFFDHVWRTLERTPGGLLIGDHTLMPQPLLSDMTEYELNFALAIDELLCSITLPEYRQLMVELFVVLSIILQRNPELNFSSNLITEAVSYYAEERNLEQQEAKSSFLTLYPQTGGGSSAYLARAVVSALLRDNKPQDRSKHPSPYDSQCVVM
					

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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	30.4	Very low	30.1	Very low	245 Å²	245	136.8 Å²	136.8	100%	1.207	81%	0.811	S	S	*	*				0	156.8	0	-78	164.2	162.6	0	0	108.2
2	S	34.1	Very low	29.8	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	81%	0.808	S	S	*	*			trans	-30.8	131.1	176.2	47.3	0	0	0	0	116.9
3	D	32	Very low	29.7	Very low	140 Å²	140	125.3 Å²	125.3	75%	0.749	78%	0.777	S	S	*	*				-160.9	127.4	95.8	-154.6	-10.4	0	0	0	111.6
4	P	32.1	Very low	29.9	Very low	112 Å²	112	122.6 Å²	122.6	73%	0.727	76%	0.759	S	S	*	*			trans	-116.9	80.3	177.7	38.4	-25.7	0	0	0	112.9
5	N	28.1	Very low	30	Very low	135 Å²	135	120.1 Å²	120.1	72%	0.722	76%	0.756	S	S	*	*			trans	-142.3	91.5	172.9	-92.5	-58.7	0	0	0	113.1
6	S	31.1	Very low	30	Very low	115 Å²	115	115.6 Å²	115.6	80%	0.804	74%	0.74	S	S	*	*			trans	-124.2	78.6	161.2	52.8	0	0	0	0	109.5	I8	S6-I8 PolarHBondContact O-N 2.89Å
7	T	30.4	Very low	30.2	Very low	121 Å²	121	115.6 Å²	115.6	74%	0.742	73%	0.728	S	S	*	*			trans	-61.5	122.2	178.9	27.3	0	0	0	0	111.2	S9	T7-S9 PolarHBondContact O-N 2.74Å; T7-S9 VanDerWaalsContact O-N 3.15Å
8	I	28	Very low	30.3	Very low	155 Å²	155	119.3 Å²	119.3	80%	0.795	73%	0.726	S	S	*	*			trans	-71.6	107.8	175	-62.1	172.8	0	0	0	108.3	S6 E10	S6-I8 PolarHBondContact O-N 2.89Å; I8-E10 HydrophobicContact CG2-CG 4.18Å; I8-E10 PolarHBondContact O-N 3.44Å; I8-E10 VanDerWaalsContact O-N 3.12Å
9	S	27.6	Very low	30.3	Very low	116 Å²	116	123.8 Å²	123.8	81%	0.811	73%	0.728	S	S	*	*			trans	-78.4	86.8	171.5	42.8	0	0	0	0	110.3	T7 G11	T7-S9 PolarHBondContact O-N 2.74Å; T7-S9 VanDerWaalsContact O-N 3.15Å; S9-G11 VanDerWaalsContact C-N 3.35Å; S9-G11 PolarHBondContact O-N 3.49Å
10	E	27.6	Very low	30.3	Very low	183 Å²	183	127 Å²	127	86%	0.855	73%	0.733	S	S	*	*			trans	-63.7	94.1	169.8	-71.8	-154.3	144.2	0	0	110.5	I8 G12	I8-E10 HydrophobicContact CG2-CG 4.18Å; I8-E10 PolarHBondContact O-N 3.44Å; I8-E10 VanDerWaalsContact O-N 3.12Å; E10-G12 PolarHBondContact O-N 3.34Å
11	G	29.6	Very low	30.3	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	73%	0.729	S	S	*	*			trans	-59.8	119.5	173.7	0	0	0	0	0	110.8	S9 A13	S9-G11 VanDerWaalsContact C-N 3.35Å; S9-G11 PolarHBondContact O-N 3.49Å; G11-A13 VanDerWaalsContact C-N 3.27Å; G11-A13 PolarHBondContact O-N 3.24Å
12	G	26.8	Very low	30.4	Very low	75 Å²	75	121.4 Å²	121.4	77%	0.773	70%	0.702	S	S	*	*			trans	-68.9	73.4	-176.3	0	0	0	0	0	114	E10 T14	E10-G12 PolarHBondContact O-N 3.34Å; G12-T14 PolarHBondContact O-N 2.79Å
13	A	28.4	Very low	30.1	Very low	49 Å²	49	119.3 Å²	119.3	41%	0.405	70%	0.698	S	S	.	*			trans	-55.5	119.4	174.9	0	0	0	0	0	110.5	G11	G11-A13 VanDerWaalsContact C-N 3.27Å; G11-A13 PolarHBondContact O-N 3.24Å
14	T	32.1	Very low	30.1	Very low	87 Å²	87	117.4 Å²	117.4	53%	0.534	69%	0.687	S	S	.	*			trans	-70.3	159.8	-167.9	64.2	0	0	0	0	111.7	G12 G16 E17	G12-T14 PolarHBondContact O-N 2.79Å; T14-G16 PolarHBondContact O-N 2.87Å; T14-E17 PolarHBondContact N-OE2 3.05Å; T14-E17 PolarHBondContact O-N 3.05Å; T14-E17 PolarHBondContact OG1-OE2 3.4Å; T14-E17 VanDerWaalsContact OG1-OE2 3.1Å
15	A	32.5	Very low	29.9	Very low	86 Å²	86	123.6 Å²	123.6	71%	0.711	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-15.2	-177.3	0	0	0	0	0	114.5
16	G	30	Very low	30	Very low	48 Å²	48	125.4 Å²	125.4	50%	0.495	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.9	-29.5	172.3	0	0	0	0	0	114.1	T14	T14-G16 PolarHBondContact O-N 2.87Å
17	E	32.1	Very low	30.1	Very low	115 Å²	115	125 Å²	125	54%	0.537	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	-37.2	-170.9	-66.7	171.5	115.7	0	0	112.1	T14 R19 K20	T14-E17 PolarHBondContact N-OE2 3.05Å; T14-E17 PolarHBondContact O-N 3.05Å; T14-E17 PolarHBondContact OG1-OE2 3.4Å; T14-E17 VanDerWaalsContact OG1-OE2 3.1Å; E17-R19 PolarHBondContact O-N 3.49Å; E17-K20 PolarHBondContact O-N 3.03Å
18	R	32.7	Very low	30.6	Very low	182 Å²	182	122.8 Å²	122.8	69%	0.687	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-9.9	172.3	-61.8	-172.2	-175.2	-161.2	-1.4	113.7	S21	R18-S21 PolarHBondContact O-OG 3.13Å
19	R	30.6	Very low	31.4	Very low	205 Å²	205	118.9 Å²	118.9	77%	0.774	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-10.7	172.5	-71	-177.6	171.1	-178.6	-1.9	114.3	E17	E17-R19 PolarHBondContact O-N 3.49Å
20	K	29.7	Very low	32.2	Very low	188 Å²	188	119.6 Å²	119.6	82%	0.817	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-23.5	178.6	-71.7	-176.8	177.1	176.9	0	114.1	E17	E17-K20 PolarHBondContact O-N 3.03Å
21	S	31.5	Very low	33.3	Very low	95 Å²	95	112.2 Å²	112.2	66%	0.664	63%	0.631	S	S	*	*	S	Bend	trans	-76.4	-22.6	-179	49.1	0	0	0	0	113.9	R18	R18-S21 PolarHBondContact O-OG 3.13Å
22	Y	30.7	Very low	34.4	Very low	160 Å²	160	111.6 Å²	111.6	63%	0.627	62%	0.616	S	S	*	*	S	Bend	trans	-98.7	128.7	165	-59.7	-85.3	0	0	0	108.8	L24	Y22-L24 PolarHBondContact O-N 3.14Å
23	G	29.5	Very low	35.9	Very low	70 Å²	70	112.2 Å²	112.2	72%	0.722	61%	0.608	S	S	*	*			trans	-71.7	33.2	-175.9	0	0	0	0	0	115.9	W25	G23-W25 VanDerWaalsContact C-N 3.31Å; G23-W25 PolarHBondContact O-N 2.93Å
24	L	30.3	Very low	37.3	Very low	99 Å²	99	114.2 Å²	114.2	52%	0.518	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-5.1	-168.2	-73.7	167	0	0	0	114.8	Y22 L441	Y22-L24 PolarHBondContact O-N 3.14Å; L24-L441 HydrophobicContact CD2-CD1 4.17Å
25	W	28.5	Very low	38.8	Very low	243 Å²	243	114.9 Å²	114.9	92%	0.92	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	68.8	168	-82.4	78.6	0	0	0	110.4	G23	G23-W25 VanDerWaalsContact C-N 3.31Å; G23-W25 PolarHBondContact O-N 2.93Å
26	K	31	Very low	40.2	Very low	172 Å²	172	114.4 Å²	114.4	75%	0.748	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-70.8	135.8	147.7	-76.5	-169	173.9	-174.3	0	107.8
27	P	32.9	Very low	42	Very low	106 Å²	106	117.4 Å²	117.4	69%	0.688	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-53.5	159.5	162.3	-22.3	33.6	0	0	0	110.3	L29	P27-L29 PolarHBondContact O-N 2.86Å
28	A	41.2	Very low	44	Very low	76 Å²	76	115.1 Å²	115.1	63%	0.628	60%	0.596	S	S	*	*	S	Bend	trans	-50.3	143.3	163.2	0	0	0	0	0	109.1	V30	A28-V30 WeakPolarHBondContact O-CG2 3.11Å; A28-V30 PolarHBondContact O-N 3.46Å
29	L	43.9	Very low	46	Very low	72 Å²	72	107.2 Å²	107.2	38%	0.377	57%	0.569	S	S	.	*			trans	-61.3	95.8	-176.1	-79.8	160.1	0	0	0	110.2	P27 Y31 L430	P27-L29 PolarHBondContact O-N 2.86Å; L29-Y31 HydrophobicContact CB-CD2 4.21Å; L29-Y31 HydrophobicContact CB-CE1 4.13Å; L29-Y31 HydrophobicContact CB-CE2 3.77Å; L29-Y31 HydrophobicContact CD1-CE1 4.46Å; L29-Y31 WeakPolarHBondContact O-CD2 3.43Å; L29-Y31 PolarHBondContact O-N 2.77Å; L29-L430 HydrophobicContact CD1-CD2 4.44Å
30	V	43.5	Very low	48.2	Very low	132 Å²	132	100 Å²	100	80%	0.8	55%	0.545	S	S	*	.			trans	-78.2	74.8	174.6	-171.7	0	0	0	0	107.6	A28 S32	A28-V30 WeakPolarHBondContact O-CG2 3.11Å; A28-V30 PolarHBondContact O-N 3.46Å; V30-S32 PolarHBondContact O-N 2.61Å
31	Y	51.5	Low	50.4	Low	28 Å²	28	94.3 Å²	94.3	11%	0.11	53%	0.533	C	S	.	.			trans	-55.1	128.4	173.1	-61	-71.9	0	0	0	110	L29 E35 C39 L103 K427	L29-Y31 HydrophobicContact CB-CD2 4.21Å; L29-Y31 HydrophobicContact CB-CE1 4.13Å; L29-Y31 HydrophobicContact CB-CE2 3.77Å; L29-Y31 HydrophobicContact CD1-CE1 4.46Å; L29-Y31 WeakPolarHBondContact O-CD2 3.43Å; L29-Y31 PolarHBondContact O-N 2.77Å; Y31-E35 HydrophobicContact CD1-CB 4.03Å; Y31-E35 HydrophobicContact CG-CB 4.47Å; Y31-C39 VanDerWaalsContact CE1-SG 3.54Å; Y31-L103 HydrophobicContact CD2-CD2 3.4Å; Y31-L103 VanDerWaalsContact CD2-CD2 3.4Å; Y31-L103 HydrophobicContact CE2-CD2 3.47Å; Y31-L103 VanDerWaalsContact CE2-CD2 3.47Å; Y31-L103 HydrophobicContact CG-CD2 4.28Å; Y31-K427 PolarHBondContact OH-O 3.06Å
32	S	53.6	Low	52.7	Low	56 Å²	56	93.5 Å²	93.5	39%	0.392	52%	0.518	S	S	.	.			trans	-61.5	162.4	166.3	64.4	0	0	0	0	110.6	V30 E35 K36	V30-S32 PolarHBondContact O-N 2.61Å; S32-E35 VanDerWaalsContact CB-OE2 3.29Å; S32-E35 WeakPolarHBondContact CB-OE2 3.29Å; S32-E35 PolarHBondContact N-OE2 3.09Å; S32-E35 PolarHBondContact O-N 3.38Å; S32-E35 VanDerWaalsContact OG-CD 3.31Å; S32-E35 WeakPolarHBondContact OG-CG 3.45Å; S32-E35 PolarHBondContact OG-OE2 3.13Å; S32-K36 PolarHBondContact O-N 3.12Å
33	S	57	Low	55	Low	87 Å²	87	86 Å²	86	61%	0.608	49%	0.488	S	S	*	.	H	α-helix	trans	-53.2	-43.5	-178.2	171.5	0	0	0	0	113.9	K36 I37	S33-K36 PolarHBondContact O-N 2.87Å; S33-I37 WeakPolarHBondContact O-CG1 3.44Å; S33-I37 PolarHBondContact O-N 3.49Å
34	P	58.6	Low	57.4	Low	92 Å²	92	84.4 Å²	84.4	60%	0.597	46%	0.462	S	S	*	.	H	α-helix	trans	-64.8	-39.4	174.5	-22.3	34.6	0	0	0	113.5	I37 S38	P34-I37 PolarHBondContact O-N 3.46Å; P34-S38 PolarHBondContact O-N 3.41Å; P34-S38 VanDerWaalsContact O-N 3.07Å
35	E	64.1	Low	59.6	Low	101 Å²	101	84.3 Å²	84.3	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-67.3	-37	177.6	-68.5	169.7	120.9	0	0	111.8	Y31 S32 I37 S38 C39	Y31-E35 HydrophobicContact CD1-CB 4.03Å; Y31-E35 HydrophobicContact CG-CB 4.47Å; S32-E35 VanDerWaalsContact CB-OE2 3.29Å; S32-E35 WeakPolarHBondContact CB-OE2 3.29Å; S32-E35 PolarHBondContact N-OE2 3.09Å; S32-E35 PolarHBondContact O-N 3.38Å; S32-E35 VanDerWaalsContact OG-CD 3.31Å; S32-E35 WeakPolarHBondContact OG-CG 3.45Å; S32-E35 PolarHBondContact OG-OE2 3.13Å; E35-I37 PolarHBondContact O-N 2.98Å; E35-S38 PolarHBondContact O-N 2.82Å; E35-C39 WeakPolarHBondContact O-CB 3.14Å; E35-C39 PolarHBondContact O-N 2.85Å; E35-C39 PolarHBondContact O-SG 3.33Å
36	K	62.1	Low	62	Low	75 Å²	75	73.4 Å²	73.4	33%	0.326	42%	0.417	S	S	.	.	H	α-helix	trans	-58.9	-45.7	172.7	-78.8	-158.7	173	-158.5	0	111.5	S32 S33 S38 C39 L40 L103	S32-K36 PolarHBondContact O-N 3.12Å; S33-K36 PolarHBondContact O-N 2.87Å; K36-S38 VanDerWaalsContact C-N 3.35Å; K36-S38 PolarHBondContact O-N 3.15Å; K36-C39 PolarHBondContact O-N 3.49Å; K36-L40 WeakPolarHBondContact O-CB 3.42Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.48Å; K36-L40 PolarHBondContact O-N 3.33Å; K36-L103 PolarHBondContact NZ-O 3.21Å
37	I	67.1	Low	64.3	Low	111 Å²	111	65.8 Å²	65.8	57%	0.569	38%	0.383	S	S	*	.	H	α-helix	trans	-62.8	-43.2	178.8	-64.7	164.7	0	0	0	110.6	S33 P34 E35 L40 A41	S33-I37 WeakPolarHBondContact O-CG1 3.44Å; S33-I37 PolarHBondContact O-N 3.49Å; P34-I37 PolarHBondContact O-N 3.46Å; E35-I37 PolarHBondContact O-N 2.98Å; I37-L40 PolarHBondContact O-N 3.14Å; I37-A41 WeakPolarHBondContact O-CB 3.39Å; I37-A41 PolarHBondContact O-N 2.61Å
38	S	74.9	Confident	65.7	Low	68 Å²	68	64.5 Å²	64.5	48%	0.476	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-43.4	175.2	-173.7	0	0	0	0	112.5	P34 E35 K36 A41 K42	P34-S38 PolarHBondContact O-N 3.41Å; P34-S38 VanDerWaalsContact O-N 3.07Å; E35-S38 PolarHBondContact O-N 2.82Å; K36-S38 VanDerWaalsContact C-N 3.35Å; K36-S38 PolarHBondContact O-N 3.15Å; S38-A41 PolarHBondContact O-N 2.85Å; S38-K42 PolarHBondContact O-N 3.3Å; S38-K42 VanDerWaalsContact O-N 3.14Å
39	C	74.8	Confident	66	Low	16 Å²	16	67 Å²	67	11%	0.108	37%	0.371	C	S	.	.	H	α-helix	trans	-68.9	-38.3	177.1	-65.5	0	0	0	0	112.4	Y31 E35 K36 K42 L43 L103 L428	Y31-C39 VanDerWaalsContact CE1-SG 3.54Å; E35-C39 WeakPolarHBondContact O-CB 3.14Å; E35-C39 PolarHBondContact O-N 2.85Å; E35-C39 PolarHBondContact O-SG 3.33Å; K36-C39 PolarHBondContact O-N 3.49Å; C39-K42 PolarHBondContact O-N 3.04Å; C39-L43 WeakPolarHBondContact O-CG 3.33Å; C39-L43 PolarHBondContact O-N 2.78Å; C39-L103 HydrophobicContact CB-CD1 3.7Å; C39-L103 HydrophobicContact CB-CD2 3.88Å; C39-L103 HydrophobicContact CB-CG 4.46Å; C39-L428 HydrophobicContact CB-CD2 3.83Å
40	L	75.1	Confident	65.9	Low	52 Å²	52	66.2 Å²	66.2	27%	0.272	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-44.5	174	-77	169	0	0	0	111.4	K36 I37 K42 L43 E44 L103 D105	K36-L40 WeakPolarHBondContact O-CB 3.42Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.48Å; K36-L40 PolarHBondContact O-N 3.33Å; I37-L40 PolarHBondContact O-N 3.14Å; L40-K42 VanDerWaalsContact C-N 3.26Å; L40-K42 PolarHBondContact O-N 3.07Å; L40-L43 PolarHBondContact O-N 3.2Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L40-E44 PolarHBondContact O-N 2.91Å; L40-L103 HydrophobicContact CB-CD1 4.45Å; L40-L103 HydrophobicContact CD2-CB 4.24Å; L40-L103 HydrophobicContact CD2-CD1 3.69Å; L40-L103 HydrophobicContact CG-CD1 3.75Å; L40-D105 HydrophobicContact CD2-CB 3.86Å; L40-D105 WeakPolarHBondContact CD2-OD2 3.31Å
41	A	76.1	Confident	65.9	Low	69 Å²	69	70.9 Å²	70.9	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-59.6	-37.3	175.3	0	0	0	0	0	112.2	I37 S38 F45	I37-A41 WeakPolarHBondContact O-CB 3.39Å; I37-A41 PolarHBondContact O-N 2.61Å; S38-A41 PolarHBondContact O-N 2.85Å; A41-F45 PolarHBondContact O-N 3.35Å; A41-F45 VanDerWaalsContact O-N 3.12Å
42	K	79.5	Confident	65.7	Low	79 Å²	79	74 Å²	74	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-68.6	-42.5	171.8	-70.2	-173.3	174.9	-158.3	0	113.1	S38 C39 L40 F45 Y46 D426 L428	S38-K42 PolarHBondContact O-N 3.3Å; S38-K42 VanDerWaalsContact O-N 3.14Å; C39-K42 PolarHBondContact O-N 3.04Å; L40-K42 VanDerWaalsContact C-N 3.26Å; L40-K42 PolarHBondContact O-N 3.07Å; K42-F45 WeakPolarHBondContact O-CB 3.45Å; K42-F45 PolarHBondContact O-N 2.58Å; K42-Y46 WeakPolarHBondContact O-CD2 3.35Å; K42-Y46 PolarHBondContact O-N 3.03Å; K42-D426 WeakPolarHBondContact CE-OD2 3.32Å; K42-D426 IonicContact NZ-OD2 2.74Å; K42-D426 PolarHBondContact NZ-OD2 2.87Å; K42-L428 HydrophobicContact CB-CD1 4Å; K42-L428 HydrophobicContact CB-CD2 4.34Å; K42-L428 HydrophobicContact CD-CD1 4.38Å
43	L	80.8	Confident	65.6	Low	1 Å²	1	74.5 Å²	74.5	1%	0.005	41%	0.41	C	S	.	.	H	α-helix	trans	-64.4	-42.5	177.9	-68.9	-169.4	0	0	0	112	C39 L40 F45 Y46 Y47 L96 A99 Y100 L103 L423 L428	C39-L43 WeakPolarHBondContact O-CG 3.33Å; C39-L43 PolarHBondContact O-N 2.78Å; L40-L43 PolarHBondContact O-N 3.2Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L43-F45 VanDerWaalsContact C-N 3.29Å; L43-F45 PolarHBondContact O-N 3.04Å; L43-Y46 CarbonylContact O-C 3.49Å; L43-Y46 PolarHBondContact O-N 3.29Å; L43-Y46 VanDerWaalsContact O-N 3.13Å; L43-Y47 VanDerWaalsContact O-CB 3.28Å; L43-Y47 WeakPolarHBondContact O-CB 3.38Å; L43-Y47 PolarHBondContact O-N 3.49Å; L43-L96 HydrophobicContact CD2-CD1 3.83Å; L43-A99 HydrophobicContact CD1-CB 3.98Å; L43-A99 HydrophobicContact CD2-CB 3.54Å; L43-A99 HydrophobicContact CG-CB 4.44Å; L43-Y100 HydrophobicContact CB-CE1 4.12Å; L43-Y100 HydrophobicContact CB-CE2 3.96Å; L43-Y100 HydrophobicContact CD1-CD1 4.02Å; L43-Y100 HydrophobicContact CD1-CD2 4.01Å; L43-Y100 HydrophobicContact CD1-CE1 4.29Å; L43-Y100 HydrophobicContact CD1-CE2 4.26Å; L43-Y100 HydrophobicContact CD1-CG 3.88Å; L43-Y100 PolarHBondContact O-OH 2.64Å; L43-L103 HydrophobicContact CD1-CD1 3.52Å; L43-L103 HydrophobicContact CD1-CG 4.22Å; L43-L103 HydrophobicContact CG-CD1 4.16Å; L43-L423 HydrophobicContact CD2-CD2 4.27Å; L43-L428 HydrophobicContact CD2-CB 4.24Å; L43-L428 HydrophobicContact CD2-CD1 4Å; L43-L428 HydrophobicContact CD2-CD2 4.17Å; L43-L428 HydrophobicContact CD2-CG 4.36Å; L43-L428 HydrophobicContact CG-CD2 4.45Å
44	E	78.3	Confident	65.6	Low	37 Å²	37	70.9 Å²	70.9	17%	0.173	39%	0.385	C	S	.	.	H	α-helix	trans	-67	-28.6	174.3	-75.6	-63.7	128.9	0	0	112.1	L40 Y47 N48 M49 Y100 R109	L40-E44 PolarHBondContact O-N 2.91Å; E44-Y47 CarbonylContact O-C 3.5Å; E44-Y47 PolarHBondContact O-N 2.9Å; E44-N48 CarbonylContact O-C 3.54Å; E44-N48 PolarHBondContact O-N 3.06Å; E44-M49 HydrophobicContact CB-CB 4.04Å; E44-M49 HydrophobicContact CB-CG 4.17Å; E44-M49 PolarHBondContact O-N 2.82Å; E44-Y100 PolarHBondContact OE1-OH 2.68Å; E44-R109 IonicContact OE1-CZ 3.89Å; E44-R109 IonicContact OE1-NE 3.76Å; E44-R109 PolarHBondContact OE1-NE 3.14Å; E44-R109 IonicContact OE1-NH2 3.77Å; E44-R109 IonicContact OE2-CZ 3.91Å; E44-R109 IonicContact OE2-NE 2.75Å; E44-R109 IonicContact OE2-NH2 3.13Å; E44-R109 PolarHBondContact OE2-NH2 3.16Å; E44-R109 VanDerWaalsContact OE2-NH2 3.13Å
45	F	77.1	Confident	66.2	Low	98 Å²	98	67.1 Å²	67.1	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-44.7	166.9	171.8	-97.5	0	0	0	112.7	A41 K42 L43 Y47 M55	A41-F45 PolarHBondContact O-N 3.35Å; A41-F45 VanDerWaalsContact O-N 3.12Å; K42-F45 WeakPolarHBondContact O-CB 3.45Å; K42-F45 PolarHBondContact O-N 2.58Å; L43-F45 VanDerWaalsContact C-N 3.29Å; L43-F45 PolarHBondContact O-N 3.04Å; F45-Y47 VanDerWaalsContact C-N 3.26Å; F45-Y47 PolarHBondContact O-N 3.37Å; F45-M55 HydrophobicContact CE1-SD 4.49Å
46	Y	79	Confident	67	Low	14 Å²	14	62.3 Å²	62.3	6%	0.055	34%	0.337	C	S	.	.	H	α-helix	trans	-67.3	-26.6	174.2	-71.5	-63.7	0	0	0	113.2	K42 L43 M55 I56 C422 L423 L428	K42-Y46 WeakPolarHBondContact O-CD2 3.35Å; K42-Y46 PolarHBondContact O-N 3.03Å; L43-Y46 CarbonylContact O-C 3.49Å; L43-Y46 PolarHBondContact O-N 3.29Å; L43-Y46 VanDerWaalsContact O-N 3.13Å; Y46-M55 HydrophobicContact CD1-CB 4.48Å; Y46-M55 HydrophobicContact CD1-CG 4.4Å; Y46-M55 HydrophobicContact CD1-SD 3.6Å; Y46-M55 HydrophobicContact CE1-SD 3.72Å; Y46-M55 WeakPolarHBondContact O-CB 3.47Å; Y46-I56 PolarHBondContact O-N 2.75Å; Y46-C422 HydrophobicContact CE1-CB 3.77Å; Y46-L423 HydrophobicContact CD2-CD2 3.65Å; Y46-L423 HydrophobicContact CE2-CD2 4.01Å; Y46-L423 HydrophobicContact CG-CD2 3.99Å; Y46-L428 HydrophobicContact CD2-CD1 3.87Å; Y46-L428 HydrophobicContact CE2-CD1 3.52Å
47	Y	78.2	Confident	67.8	Low	11 Å²	11	59.7 Å²	59.7	4%	0.043	33%	0.328	C	S	.	.	H	α-helix	trans	-94.1	-69.5	-177.3	-177.2	-89.2	0	0	0	113	L43 E44 F45 S54 S57 L61 L96 Y100 R109 E112 L113	L43-Y47 VanDerWaalsContact O-CB 3.28Å; L43-Y47 WeakPolarHBondContact O-CB 3.38Å; L43-Y47 PolarHBondContact O-N 3.49Å; E44-Y47 CarbonylContact O-C 3.5Å; E44-Y47 PolarHBondContact O-N 2.9Å; F45-Y47 VanDerWaalsContact C-N 3.26Å; F45-Y47 PolarHBondContact O-N 3.37Å; Y47-S54 WeakPolarHBondContact O-CB 3.33Å; Y47-S57 WeakPolarHBondContact O-CB 3.28Å; Y47-S57 PolarHBondContact O-OG 3.35Å; Y47-L61 HydrophobicContact CE2-CD1 4.44Å; Y47-L96 HydrophobicContact CD2-CD2 4.16Å; Y47-Y100 WeakPolarHBondContact CB-OH 3.19Å; Y47-Y100 HydrophobicContact CG-CE2 4.48Å; Y47-R109 VanDerWaalsContact CE1-CD 3.49Å; Y47-R109 PolarHBondContact OH-NH1 2.83Å; Y47-E112 PolarHBondContact OH-OE1 2.95Å; Y47-E112 PolarHBondContact OH-OE2 2.85Å; Y47-L113 HydrophobicContact CD2-CD1 4.08Å; Y47-L113 HydrophobicContact CD2-CD2 4.18Å; Y47-L113 HydrophobicContact CD2-CG 4.33Å; Y47-L113 HydrophobicContact CE2-CD1 4.44Å; Y47-L113 HydrophobicContact CE2-CD2 4.09Å; Y47-L113 HydrophobicContact CE2-CG 4.23Å
48	N	64.2	Low	68.3	Low	80 Å²	80	58.2 Å²	58.2	43%	0.428	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.9	24.1	-173.1	-140.7	17.3	0	0	0	119.9	E44 S54	E44-N48 CarbonylContact O-C 3.54Å; E44-N48 PolarHBondContact O-N 3.06Å; N48-S54 WeakPolarHBondContact OD1-CB 3.4Å; N48-S54 PolarHBondContact OD1-OG 2.65Å
49	M	46.9	Very low	68.7	Low	129 Å²	129	55.6 Å²	55.6	64%	0.635	30%	0.299	S	S	*	.			trans	-128	126.8	180	-80.5	-76.7	-79.7	0	0	114	E44	E44-M49 HydrophobicContact CB-CB 4.04Å; E44-M49 HydrophobicContact CB-CG 4.17Å; E44-M49 PolarHBondContact O-N 2.82Å
50	G	41.9	Very low	69.4	Low	54 Å²	54	54.8 Å²	54.8	56%	0.557	29%	0.294	S	S	*	.	S	Bend	trans	109.1	145.7	176.2	0	0	0	0	0	113.5	P52	G50-P52 VanDerWaalsContact O-O 3.05Å
51	Y	43.4	Very low	70.1	Confident	230 Å²	230	53.7 Å²	53.7	90%	0.902	29%	0.288	S	S	*	.	S	Bend	trans	-99.3	132.7	169.4	-160.3	-93.9	0	0	0	106.5
52	P	48.3	Very low	70.8	Confident	93 Å²	93	57.2 Å²	57.2	60%	0.604	29%	0.286	S	S	*	.	S	Bend	cis	-75.2	167.2	10	34.1	-38.3	0	0	0	114.2	G50	G50-P52 VanDerWaalsContact O-O 3.05Å
53	P	50.9	Low	71.4	Confident	67 Å²	67	54.9 Å²	54.9	44%	0.435	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-65.8	145.8	-153.7	24.2	-35.6	0	0	0	115.8	H58	P53-H58 HydrophobicContact CB-CB 4.27Å
54	S	57.3	Low	72.1	Confident	12 Å²	12	56.4 Å²	56.4	8%	0.084	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-53.6	138.7	-173.4	54.1	0	0	0	0	114.8	Y47 N48 H58	Y47-S54 WeakPolarHBondContact O-CB 3.33Å; N48-S54 WeakPolarHBondContact OD1-CB 3.4Å; N48-S54 PolarHBondContact OD1-OG 2.65Å; S54-H58 WeakPolarHBondContact O-CB 3.42Å; S54-H58 PolarHBondContact O-N 2.79Å
55	M	70.8	Confident	72.9	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.064	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-72.1	-169.8	-68.8	-160.7	72.1	0	0	113.1	F45 Y46 Q59 Y418 I419	F45-M55 HydrophobicContact CE1-SD 4.49Å; Y46-M55 HydrophobicContact CD1-CB 4.48Å; Y46-M55 HydrophobicContact CD1-CG 4.4Å; Y46-M55 HydrophobicContact CD1-SD 3.6Å; Y46-M55 HydrophobicContact CE1-SD 3.72Å; Y46-M55 WeakPolarHBondContact O-CB 3.47Å; M55-Q59 WeakPolarHBondContact O-CA 3.16Å; M55-Q59 WeakPolarHBondContact O-CB 3.29Å; M55-Q59 VanDerWaalsContact O-CG 3.25Å; M55-Q59 WeakPolarHBondContact O-CG 3.47Å; M55-Q59 PolarHBondContact O-N 3Å; M55-Y418 HydrophobicContact CE-CD1 3.52Å; M55-Y418 HydrophobicContact CE-CE1 3.36Å; M55-Y418 HydrophobicContact SD-CE1 4.44Å; M55-I419 HydrophobicContact CB-CG1 4.45Å; M55-I419 HydrophobicContact CE-CD1 4.38Å; M55-I419 HydrophobicContact CE-CG1 3.5Å; M55-I419 VanDerWaalsContact CE-CG1 3.5Å
56	I	79.8	Confident	73.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-46.9	-174	-70.5	-141.7	0	0	0	111.7	Y46 L60 L61 L96 L113 I419	Y46-I56 PolarHBondContact O-N 2.75Å; I56-L60 CarbonylContact O-C 3.56Å; I56-L60 WeakPolarHBondContact O-CA 3.28Å; I56-L60 WeakPolarHBondContact O-CB 3.5Å; I56-L60 PolarHBondContact O-N 3.41Å; I56-L61 HydrophobicContact CG2-CD1 3.82Å; I56-L61 HydrophobicContact CG2-CD2 4.1Å; I56-L61 HydrophobicContact CG2-CG 3.64Å; I56-L61 PolarHBondContact O-N 3.13Å; I56-L96 HydrophobicContact CB-CD2 4Å; I56-L96 HydrophobicContact CD1-CB 3.67Å; I56-L96 HydrophobicContact CD1-CD2 3.56Å; I56-L96 HydrophobicContact CD1-CG 4.22Å; I56-L96 HydrophobicContact CG1-CD2 3.73Å; I56-L96 HydrophobicContact CG2-CD2 4.4Å; I56-L113 HydrophobicContact CG2-CD2 3.88Å; I56-I419 HydrophobicContact CD1-CG2 3.89Å; I56-I419 HydrophobicContact CG1-CD1 4.13Å; I56-I419 HydrophobicContact CG1-CG2 3.94Å
57	S	79.8	Confident	74.2	Confident	20 Å²	20	58.4 Å²	58.4	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-67.4	-41.2	-174	-65.5	0	0	0	0	113.9	Y47 R62	Y47-S57 WeakPolarHBondContact O-CB 3.28Å; Y47-S57 PolarHBondContact O-OG 3.35Å; S57-R62 PolarHBondContact O-N 3.22Å
58	H	78.5	Confident	75	Confident	80 Å²	80	58.5 Å²	58.5	37%	0.37	31%	0.313	S	S	.	.	H	α-helix	trans	-91.1	-24.7	-178.2	-160.3	96.5	0	0	0	114	P53 S54 R62	P53-H58 HydrophobicContact CB-CB 4.27Å; S54-H58 WeakPolarHBondContact O-CB 3.42Å; S54-H58 PolarHBondContact O-N 2.79Å; H58-R62 PolarHBondContact CD2-NH1 2.87Å; H58-R62 PolarHBondContact CE1-NH1 3.16Å; H58-R62 PolarHBondContact NE2-NH1 3.46Å; H58-R62 VanDerWaalsContact O-CD 3.24Å; H58-R62 WeakPolarHBondContact O-CD 3.43Å; H58-R62 WeakPolarHBondContact O-CG 3.08Å
59	Q	83.2	Confident	76.5	Confident	12 Å²	12	54.7 Å²	54.7	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-101.7	-22.4	-175.6	-50.7	167.6	-5.5	0	0	113	M55 Y63 L410 L412 Q415	M55-Q59 WeakPolarHBondContact O-CA 3.16Å; M55-Q59 WeakPolarHBondContact O-CB 3.29Å; M55-Q59 VanDerWaalsContact O-CG 3.25Å; M55-Q59 WeakPolarHBondContact O-CG 3.47Å; M55-Q59 PolarHBondContact O-N 3Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.35Å; Q59-Y63 WeakPolarHBondContact O-CE2 3.42Å; Q59-L410 HydrophobicContact CB-CD1 3.89Å; Q59-L410 HydrophobicContact CG-CD1 4.07Å; Q59-L412 WeakPolarHBondContact O-CD2 3.22Å; Q59-Q415 HydrophobicContact CB-CG 4.1Å
60	L	89	Confident	78.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-67.3	175.9	-59.9	179.7	0	0	0	112.1	I56 R62 Y63 F71 A92 L412 A416 I419	I56-L60 CarbonylContact O-C 3.56Å; I56-L60 WeakPolarHBondContact O-CA 3.28Å; I56-L60 WeakPolarHBondContact O-CB 3.5Å; I56-L60 PolarHBondContact O-N 3.41Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 3.41Å; L60-R62 VanDerWaalsContact O-N 3.11Å; L60-Y63 WeakPolarHBondContact O-CB 3.49Å; L60-Y63 WeakPolarHBondContact O-CD2 3.48Å; L60-Y63 PolarHBondContact O-N 3.38Å; L60-F71 WeakPolarHBondContact O-CE1 3.46Å; L60-A92 HydrophobicContact CD1-CB 3.79Å; L60-L412 HydrophobicContact CD2-CB 4.34Å; L60-A416 HydrophobicContact CD1-CB 4.31Å; L60-A416 HydrophobicContact CD2-CB 4.35Å; L60-I419 HydrophobicContact CD1-CD1 3.68Å; L60-I419 HydrophobicContact CG-CD1 4.07Å
61	L	89.6	Confident	81.5	Confident	29 Å²	29	46 Å²	46	15%	0.152	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.9	-37.7	-163.2	-61.7	-179.6	0	0	0	114.1	Y47 I56 Y63 Q64 L113 T116	Y47-L61 HydrophobicContact CE2-CD1 4.44Å; I56-L61 HydrophobicContact CG2-CD1 3.82Å; I56-L61 HydrophobicContact CG2-CD2 4.1Å; I56-L61 HydrophobicContact CG2-CG 3.64Å; I56-L61 PolarHBondContact O-N 3.13Å; L61-Y63 PolarHBondContact O-N 3.13Å; L61-Q64 WeakPolarHBondContact O-CB 3.36Å; L61-Q64 PolarHBondContact O-N 3.44Å; L61-L113 HydrophobicContact CD1-CD2 4.27Å; L61-T116 HydrophobicContact CD2-CG2 3.41Å; L61-T116 VanDerWaalsContact CD2-CG2 3.41Å
62	R	90.1	Very high	84	Confident	143 Å²	143	35.1 Å²	35.1	54%	0.54	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-62.6	-11.1	177.6	73.2	169.5	-120.3	-152.5	4.5	115.1	S57 H58 L60	S57-R62 PolarHBondContact O-N 3.22Å; H58-R62 PolarHBondContact CD2-NH1 2.87Å; H58-R62 PolarHBondContact CE1-NH1 3.16Å; H58-R62 PolarHBondContact NE2-NH1 3.46Å; H58-R62 VanDerWaalsContact O-CD 3.24Å; H58-R62 WeakPolarHBondContact O-CD 3.43Å; H58-R62 WeakPolarHBondContact O-CG 3.08Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 3.41Å; L60-R62 VanDerWaalsContact O-N 3.11Å
63	Y	93	Very high	86.1	Confident	29 Å²	29	32.6 Å²	32.6	11%	0.114	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-106	0.7	176.6	-50.6	-74.1	0	0	0	113.1	Q59 L60 L61 S65 P72 S75 L410 L412	Q59-Y63 WeakPolarHBondContact O-CD2 3.35Å; Q59-Y63 WeakPolarHBondContact O-CE2 3.42Å; L60-Y63 WeakPolarHBondContact O-CB 3.49Å; L60-Y63 WeakPolarHBondContact O-CD2 3.48Å; L60-Y63 PolarHBondContact O-N 3.38Å; L61-Y63 PolarHBondContact O-N 3.13Å; Y63-S65 PolarHBondContact O-N 3Å; Y63-P72 WeakPolarHBondContact O-CD 3.36Å; Y63-S75 VanDerWaalsContact CE1-CB 3.49Å; Y63-S75 WeakPolarHBondContact CE1-O 3.06Å; Y63-S75 VanDerWaalsContact CZ-CB 3.4Å; Y63-S75 WeakPolarHBondContact OH-CB 3.19Å; Y63-L410 HydrophobicContact CE2-CD1 4.39Å; Y63-L412 HydrophobicContact CD2-CD1 4.22Å; Y63-L412 HydrophobicContact CD2-CD2 4.1Å; Y63-L412 HydrophobicContact CE2-CD2 4.38Å; Y63-L412 HydrophobicContact CG-CD1 4.22Å
64	Q	95	Very high	88.1	Confident	34 Å²	34	30.4 Å²	30.4	16%	0.159	16%	0.158	C	C	.	.	S	Bend	trans	-71.3	129.9	172.7	-164.8	-177	37.6	0	0	109.8	L61 S66 G69 F71 T116 T120	L61-Q64 WeakPolarHBondContact O-CB 3.36Å; L61-Q64 PolarHBondContact O-N 3.44Å; Q64-S66 PolarHBondContact O-N 3.09Å; Q64-G69 WeakPolarHBondContact CG-O 3.23Å; Q64-G69 PolarHBondContact NE2-O 3.05Å; Q64-G69 VanDerWaalsContact NE2-O 3.14Å; Q64-F71 HydrophobicContact CB-CD1 4.33Å; Q64-F71 HydrophobicContact CB-CE1 3.64Å; Q64-F71 HydrophobicContact CB-CE2 4.18Å; Q64-F71 HydrophobicContact CB-CZ 3.56Å; Q64-F71 HydrophobicContact CG-CD2 4.42Å; Q64-F71 HydrophobicContact CG-CE1 4.19Å; Q64-F71 HydrophobicContact CG-CE2 3.8Å; Q64-F71 HydrophobicContact CG-CZ 3.68Å; Q64-T116 PolarHBondContact NE2-O 3.35Å; Q64-T116 VanDerWaalsContact NE2-O 3.09Å; Q64-T120 PolarHBondContact NE2-OG1 3.23Å
65	S	95.1	Very high	89.6	Confident	3 Å²	3	31 Å²	31	2%	0.021	16%	0.162	C	C	.	.			trans	-59.5	124.4	172	-179.3	0	0	0	0	111.8	Y63 T67 S68 G69 L70 L154	Y63-S65 PolarHBondContact O-N 3Å; S65-T67 PolarHBondContact O-N 2.78Å; S65-T67 PolarHBondContact OG-OG1 3.46Å; S65-S68 WeakPolarHBondContact CB-OG 3.24Å; S65-S68 PolarHBondContact OG-N 3.27Å; S65-S68 PolarHBondContact OG-OG 2.73Å; S65-S68 VanDerWaalsContact OG-OG 3.07Å; S65-G69 WeakPolarHBondContact O-CA 3.36Å; S65-G69 PolarHBondContact O-N 3.26Å; S65-L70 WeakPolarHBondContact CB-O 3.14Å; S65-L70 PolarHBondContact N-O 3.46Å; S65-L154 WeakPolarHBondContact CB-O 3.47Å; S65-L154 PolarHBondContact OG-O 2.98Å
66	S	91.6	Very high	90.5	Very high	92 Å²	92	33.7 Å²	33.7	64%	0.643	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.2	179.7	59	0	0	0	0	112.9	Q64 K119	Q64-S66 PolarHBondContact O-N 3.09Å; S66-K119 PolarHBondContact O-NZ 3.21Å
67	T	92.9	Very high	90.9	Very high	96 Å²	96	36.2 Å²	36.2	59%	0.589	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-61	178.4	43.3	0	0	0	0	112.2	S65 F155	S65-T67 PolarHBondContact O-N 2.78Å; S65-T67 PolarHBondContact OG-OG1 3.46Å; T67-F155 WeakPolarHBondContact CB-O 3.34Å; T67-F155 PolarHBondContact OG1-O 2.97Å
68	S	94.5	Very high	91.4	Very high	13 Å²	13	38.3 Å²	38.3	9%	0.091	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.3	-173	75.8	0	0	0	0	113.8	S65 L70 G123 L154	S65-S68 WeakPolarHBondContact CB-OG 3.24Å; S65-S68 PolarHBondContact OG-N 3.27Å; S65-S68 PolarHBondContact OG-OG 2.73Å; S65-S68 VanDerWaalsContact OG-OG 3.07Å; S68-L70 PolarHBondContact O-N 3.42Å; S68-L70 WeakPolarHBondContact OG-CB 3.43Å; S68-L70 WeakPolarHBondContact OG-CG 3.48Å; S68-L70 PolarHBondContact OG-N 3.28Å; S68-L70 VanDerWaalsContact OG-N 3.11Å; S68-G123 WeakPolarHBondContact O-CA 3.39Å; S68-L154 PolarHBondContact OG-O 2.82Å
69	G	95.2	Very high	92.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.			trans	77.8	-5	-170.4	0	0	0	0	0	115.5	Q64 S65 T120	Q64-G69 WeakPolarHBondContact CG-O 3.23Å; Q64-G69 PolarHBondContact NE2-O 3.05Å; Q64-G69 VanDerWaalsContact NE2-O 3.14Å; S65-G69 WeakPolarHBondContact O-CA 3.36Å; S65-G69 PolarHBondContact O-N 3.26Å; G69-T120 WeakPolarHBondContact O-CA 3.43Å; G69-T120 WeakPolarHBondContact O-CG2 3.46Å; G69-T120 PolarHBondContact O-OG1 2.92Å
70	L	97.1	Very high	92.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.			trans	-69.9	162.6	178.1	-60.7	177	0	0	0	112.6	S65 S68 I124 F152 L154	S65-L70 WeakPolarHBondContact CB-O 3.14Å; S65-L70 PolarHBondContact N-O 3.46Å; S68-L70 PolarHBondContact O-N 3.42Å; S68-L70 WeakPolarHBondContact OG-CB 3.43Å; S68-L70 WeakPolarHBondContact OG-CG 3.48Å; S68-L70 PolarHBondContact OG-N 3.28Å; S68-L70 VanDerWaalsContact OG-N 3.11Å; L70-I124 HydrophobicContact CD2-CG1 3.61Å; L70-F152 HydrophobicContact CD1-CB 3.94Å; L70-L154 HydrophobicContact CB-CD1 4.17Å
71	F	97	Very high	92.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.			trans	-121.5	147.9	173	-68.2	-95.8	0	0	0	111.3	L60 Q64 G81 H82 S86 C89 T120 L412	L60-F71 WeakPolarHBondContact O-CE1 3.46Å; Q64-F71 HydrophobicContact CB-CD1 4.33Å; Q64-F71 HydrophobicContact CB-CE1 3.64Å; Q64-F71 HydrophobicContact CB-CE2 4.18Å; Q64-F71 HydrophobicContact CB-CZ 3.56Å; Q64-F71 HydrophobicContact CG-CD2 4.42Å; Q64-F71 HydrophobicContact CG-CE1 4.19Å; Q64-F71 HydrophobicContact CG-CE2 3.8Å; Q64-F71 HydrophobicContact CG-CZ 3.68Å; F71-G81 WeakPolarHBondContact O-CA 3.44Å; F71-H82 PolarHBondContact O-N 2.9Å; F71-S86 PolarHBondContact N-OG 3.47Å; F71-S86 PolarHBondContact O-OG 3.05Å; F71-C89 HydrophobicContact CB-CB 4.43Å; F71-C89 HydrophobicContact CD1-CB 4.01Å; F71-C89 HydrophobicContact CD2-CB 3.51Å; F71-C89 HydrophobicContact CE1-CB 4.06Å; F71-C89 HydrophobicContact CE2-CB 3.57Å; F71-C89 HydrophobicContact CG-CB 3.73Å; F71-C89 HydrophobicContact CZ-CB 3.84Å; F71-T120 HydrophobicContact CD2-CG2 3.96Å; F71-T120 HydrophobicContact CE2-CG2 4Å; F71-T120 WeakPolarHBondContact CE2-OG1 3.5Å; F71-L412 HydrophobicContact CB-CD1 4.3Å; F71-L412 HydrophobicContact CD1-CD1 4.13Å
72	P	95.9	Very high	93.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.013	23%	0.233	C	C	.	.			trans	-73.9	165.4	168	32.7	-35.1	0	0	0	112	Y63 D77 V80 L412	Y63-P72 WeakPolarHBondContact O-CD 3.36Å; P72-D77 HydrophobicContact CB-CB 3.92Å; P72-V80 VanDerWaalsContact CA-O 3.32Å; P72-V80 WeakPolarHBondContact CA-O 3.25Å; P72-V80 WeakPolarHBondContact CB-O 3.46Å; P72-L412 HydrophobicContact CG-CD1 4.01Å; P72-L412 WeakPolarHBondContact O-CD1 3.4Å
73	Q	92.5	Very high	93.5	Very high	39 Å²	39	35.7 Å²	35.7	18%	0.182	21%	0.207	C	C	.	.	S	Bend	trans	-70.1	-43.8	170.3	178.1	177.9	97.6	0	0	111.7	F411 L412	Q73-F411 HydrophobicContact CG-CD2 4.12Å; Q73-F411 HydrophobicContact CG-CE2 4.01Å; Q73-L412 PolarHBondContact O-N 3.3Å
74	L	91.6	Very high	93.6	Very high	21 Å²	21	34.8 Å²	34.8	11%	0.11	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-117.5	140.6	-178.3	-63.2	179.3	0	0	0	110.4	S76 D77 A409 L410 F411	L74-S76 PolarHBondContact O-N 3.11Å; L74-D77 PolarHBondContact O-N 3.18Å; L74-A409 HydrophobicContact CB-CB 4.37Å; L74-L410 WeakPolarHBondContact CA-O 3.49Å; L74-F411 HydrophobicContact CD2-CB 4.21Å; L74-F411 HydrophobicContact CD2-CD2 4.42Å
75	S	89.5	Confident	93.7	Very high	24 Å²	24	33.2 Å²	33.2	17%	0.168	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-7.3	179.7	71.4	0	0	0	0	116.1	Y63 A409 L410	Y63-S75 VanDerWaalsContact CE1-CB 3.49Å; Y63-S75 WeakPolarHBondContact CE1-O 3.06Å; Y63-S75 VanDerWaalsContact CZ-CB 3.4Å; Y63-S75 WeakPolarHBondContact OH-CB 3.19Å; S75-A409 VanDerWaalsContact OG-CA 3.3Å; S75-A409 WeakPolarHBondContact OG-CA 3.42Å; S75-A409 WeakPolarHBondContact OG-CB 3.45Å; S75-L410 PolarHBondContact N-O 3.17Å; S75-L410 PolarHBondContact OG-N 3.01Å
76	S	88.9	Confident	93.8	Very high	71 Å²	71	33 Å²	33	50%	0.497	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.7	176	57.6	0	0	0	0	113.4	L74 Q407	L74-S76 PolarHBondContact O-N 3.11Å; S76-Q407 PolarHBondContact OG-NE2 2.9Å
77	D	89.9	Confident	94.1	Very high	52 Å²	52	28.7 Å²	28.7	28%	0.278	17%	0.165	S	C	.	.			trans	-84.5	131.5	176.3	-166.5	-26.4	0	0	0	109.9	P72 L74 K79 V80	P72-D77 HydrophobicContact CB-CB 3.92Å; L74-D77 PolarHBondContact O-N 3.18Å; D77-K79 WeakPolarHBondContact OD1-CA 3.45Å; D77-K79 PolarHBondContact OD1-N 3.09Å; D77-V80 PolarHBondContact OD1-N 2.89Å
78	A	89.1	Confident	94.2	Very high	64 Å²	64	24.2 Å²	24.2	53%	0.529	14%	0.137	S	C	.	.	S	Bend	trans	-125	15.6	179.6	0	0	0	0	0	112.2	F155	A78-F155 WeakPolarHBondContact O-CE2 3.49Å
79	K	92.7	Very high	94.3	Very high	162 Å²	162	23.6 Å²	23.6	70%	0.704	13%	0.133	S	C	*	.	S	Bend	trans	-126	-38.7	-176.4	-68.4	-174	178.6	-177.1	0	113.3	D77 L154	D77-K79 WeakPolarHBondContact OD1-CA 3.45Å; D77-K79 PolarHBondContact OD1-N 3.09Å; K79-L154 WeakPolarHBondContact O-CB 3.41Å; K79-L154 PolarHBondContact O-N 2.81Å
80	V	94.6	Very high	94.3	Very high	26 Å²	26	23.6 Å²	23.6	16%	0.158	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.4	-172.6	-174.6	0	0	0	0	111.8	P72 D77 K151 L160	P72-V80 VanDerWaalsContact CA-O 3.32Å; P72-V80 WeakPolarHBondContact CA-O 3.25Å; P72-V80 WeakPolarHBondContact CB-O 3.46Å; D77-V80 PolarHBondContact OD1-N 2.89Å; V80-K151 HydrophobicContact CG1-CB 3.92Å; V80-K151 HydrophobicContact CG1-CD 4.38Å; V80-L160 HydrophobicContact CG1-CD1 4.04Å; V80-L160 HydrophobicContact CG2-CD1 4.02Å
81	G	95	Very high	94.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.9	167.3	0	0	0	0	0	110.8	F71 K151 F152	F71-G81 WeakPolarHBondContact O-CA 3.44Å; G81-K151 WeakPolarHBondContact O-CA 3.29Å; G81-F152 PolarHBondContact N-O 2.92Å; G81-F152 PolarHBondContact O-N 3.31Å
82	H	95.6	Very high	94	Very high	22 Å²	22	23.7 Å²	23.7	10%	0.102	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.3	179.1	-75	-108.8	0	0	0	110.6	F71 D85 S86	F71-H82 PolarHBondContact O-N 2.9Å; H82-D85 HydrophobicContact CB-CB 4.17Å; H82-D85 WeakPolarHBondContact CB-OD2 3.42Å; H82-S86 WeakPolarHBondContact O-CB 3.44Å; H82-S86 PolarHBondContact O-N 3.11Å; H82-S86 PolarHBondContact O-OG 3.05Å
83	V	96.6	Very high	93.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.8	-49.2	-177.2	172.2	0	0	0	0	111.5	D85 S86 V87 I124 W128 S150 F152	V83-D85 PolarHBondContact O-N 3.47Å; V83-S86 WeakPolarHBondContact O-CB 3.47Å; V83-S86 PolarHBondContact O-N 3.01Å; V83-V87 HydrophobicContact CG1-CG2 4.47Å; V83-V87 WeakPolarHBondContact O-CG2 3.35Å; V83-V87 PolarHBondContact O-N 2.96Å; V83-I124 HydrophobicContact CG1-CD1 4.29Å; V83-I124 HydrophobicContact CG1-CG1 4.48Å; V83-I124 HydrophobicContact CG1-CG2 3.89Å; V83-I124 HydrophobicContact CG2-CG2 4.28Å; V83-W128 HydrophobicContact CB-CZ2 4.48Å; V83-W128 HydrophobicContact CG1-CH2 3.85Å; V83-W128 HydrophobicContact CG1-CZ2 3.76Å; V83-W128 HydrophobicContact CG2-CZ2 4.17Å; V83-S150 WeakPolarHBondContact CB-O 3.4Å; V83-S150 WeakPolarHBondContact CG2-O 3.39Å; V83-S150 PolarHBondContact N-O 2.65Å; V83-F152 HydrophobicContact CG2-CD2 4.07Å; V83-F152 HydrophobicContact CG2-CE2 3.8Å
84	R	96.1	Very high	94	Very high	9 Å²	9	21.8 Å²	21.8	3%	0.034	12%	0.124	C	C	.	.	H	α-helix	trans	-57	-54.1	-177	-167.8	-177.5	-68.1	99.4	2.3	110.9	S86 V87 Y88 D172 L176 E221	R84-S86 PolarHBondContact O-N 2.89Å; R84-V87 PolarHBondContact O-N 3.26Å; R84-Y88 HydrophobicContact CG-CD2 4.37Å; R84-Y88 HydrophobicContact CG-CE2 4.1Å; R84-Y88 VanDerWaalsContact O-CD2 3.27Å; R84-Y88 WeakPolarHBondContact O-CD2 3.34Å; R84-Y88 PolarHBondContact O-N 3.2Å; R84-D172 IonicContact CZ-OD1 2.74Å; R84-D172 IonicContact CZ-OD2 3.7Å; R84-D172 IonicContact NE-OD2 2.71Å; R84-D172 PolarHBondContact NE-OD2 3.43Å; R84-D172 VanDerWaalsContact NH2-CG 3.32Å; R84-D172 IonicContact NH2-OD1 3.02Å; R84-D172 PolarHBondContact NH2-OD1 3.31Å; R84-D172 IonicContact NH2-OD2 2.68Å; R84-D172 PolarHBondContact NH2-OD2 2.86Å; R84-L176 HydrophobicContact CG-CD2 3.78Å; R84-E221 IonicContact NH1-OE1 3.79Å; R84-E221 PolarHBondContact NH1-OE1 3.01Å
85	D	95.6	Very high	94	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-41	177.5	-56.7	-104.3	0	0	0	112.4	H82 V83 V87 Y88 C89 W413	H82-D85 HydrophobicContact CB-CB 4.17Å; H82-D85 WeakPolarHBondContact CB-OD2 3.42Å; V83-D85 PolarHBondContact O-N 3.47Å; D85-V87 PolarHBondContact O-N 2.99Å; D85-Y88 PolarHBondContact O-N 3.18Å; D85-C89 PolarHBondContact O-N 3.31Å; D85-C89 PolarHBondContact O-SG 2.99Å; D85-W413 HydrophobicContact CB-CB 4.39Å; D85-W413 VanDerWaalsContact OD1-CB 3.32Å; D85-W413 WeakPolarHBondContact OD1-CB 3.43Å
86	S	97.6	Very high	94	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-43.1	176.1	-65.8	0	0	0	0	112.4	F71 H82 V83 R84 C89 A90 T120	F71-S86 PolarHBondContact N-OG 3.47Å; F71-S86 PolarHBondContact O-OG 3.05Å; H82-S86 WeakPolarHBondContact O-CB 3.44Å; H82-S86 PolarHBondContact O-N 3.11Å; H82-S86 PolarHBondContact O-OG 3.05Å; V83-S86 WeakPolarHBondContact O-CB 3.47Å; V83-S86 PolarHBondContact O-N 3.01Å; R84-S86 PolarHBondContact O-N 2.89Å; S86-C89 PolarHBondContact O-N 3.45Å; S86-A90 WeakPolarHBondContact O-CB 3.47Å; S86-A90 PolarHBondContact O-N 3.47Å; S86-T120 WeakPolarHBondContact O-CG2 3.44Å
87	V	97.5	Very high	94.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-45.3	176.8	-179.1	0	0	0	0	110.7	V83 R84 D85 C89 A90 M91 M121 I124 L176 F177 T180	V83-V87 HydrophobicContact CG1-CG2 4.47Å; V83-V87 WeakPolarHBondContact O-CG2 3.35Å; V83-V87 PolarHBondContact O-N 2.96Å; R84-V87 PolarHBondContact O-N 3.26Å; D85-V87 PolarHBondContact O-N 2.99Å; V87-C89 PolarHBondContact O-N 3.4Å; V87-A90 WeakPolarHBondContact O-CB 3.48Å; V87-A90 PolarHBondContact O-N 3.45Å; V87-M91 HydrophobicContact CG1-CG 4.37Å; V87-M91 HydrophobicContact CG1-SD 4Å; V87-M91 VanDerWaalsContact O-CG 3.27Å; V87-M91 WeakPolarHBondContact O-CG 3.49Å; V87-M91 PolarHBondContact O-N 3.47Å; V87-M121 HydrophobicContact CG1-SD 4.25Å; V87-M121 HydrophobicContact CG2-SD 4.2Å; V87-I124 HydrophobicContact CG2-CD1 3.56Å; V87-L176 HydrophobicContact CB-CD2 4.25Å; V87-L176 HydrophobicContact CB-CG 4.19Å; V87-L176 HydrophobicContact CG1-CD1 4.2Å; V87-L176 HydrophobicContact CG1-CD2 4.44Å; V87-L176 HydrophobicContact CG1-CG 3.9Å; V87-F177 HydrophobicContact CG2-CB 4.3Å; V87-F177 HydrophobicContact CG2-CD2 4.34Å; V87-T180 HydrophobicContact CG1-CG2 3.71Å
88	Y	95.5	Very high	94.1	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-62.8	-39.2	176.7	-77.4	-72	0	0	0	112.9	R84 D85 A90 M91 A92 L176 P302 Y369 W413 A416 L417	R84-Y88 HydrophobicContact CG-CD2 4.37Å; R84-Y88 HydrophobicContact CG-CE2 4.1Å; R84-Y88 VanDerWaalsContact O-CD2 3.27Å; R84-Y88 WeakPolarHBondContact O-CD2 3.34Å; R84-Y88 PolarHBondContact O-N 3.2Å; D85-Y88 PolarHBondContact O-N 3.18Å; Y88-A90 VanDerWaalsContact C-N 3.34Å; Y88-A90 PolarHBondContact O-N 3.11Å; Y88-M91 HydrophobicContact CD1-SD 3.96Å; Y88-M91 HydrophobicContact CE1-SD 4.26Å; Y88-M91 WeakPolarHBondContact O-CB 3.39Å; Y88-M91 PolarHBondContact O-N 3.37Å; Y88-A92 PolarHBondContact O-N 3.01Å; Y88-L176 HydrophobicContact CD2-CD2 3.97Å; Y88-L176 HydrophobicContact CE1-CD1 4.49Å; Y88-L176 HydrophobicContact CE2-CD1 4.25Å; Y88-L176 HydrophobicContact CE2-CD2 3.44Å; Y88-L176 VanDerWaalsContact CE2-CD2 3.44Å; Y88-P302 HydrophobicContact CE1-CG 4.19Å; Y88-Y369 PolarHBondContact OH-OH 3.28Å; Y88-W413 AromaticContact CD1-CD1 3.85Å; Y88-W413 AromaticContact CD1-NE1 3.85Å; Y88-W413 AromaticContact CD2-CD1 3.21Å; Y88-W413 HydrophobicContact CD2-CD2 4.09Å; Y88-W413 AromaticContact CD2-CE2 3.81Å; Y88-W413 AromaticContact CD2-CG 3.78Å; Y88-W413 HydrophobicContact CD2-CG 3.78Å; Y88-W413 AromaticContact CD2-NE1 3.22Å; Y88-W413 AromaticContact CE1-NE1 3.78Å; Y88-W413 AromaticContact CE2-CD1 3.69Å; Y88-W413 HydrophobicContact CE2-CD2 4.23Å; Y88-W413 AromaticContact CE2-CE2 3.52Å; Y88-W413 HydrophobicContact CE2-CG 4.34Å; Y88-W413 AromaticContact CE2-CZ2 3.96Å; Y88-W413 HydrophobicContact CE2-CZ2 3.96Å; Y88-W413 AromaticContact CE2-NE1 3.13Å; Y88-W413 AromaticContact CG-CD1 3.31Å; Y88-W413 HydrophobicContact CG-CG 4.16Å; Y88-W413 AromaticContact CG-NE1 3.6Å; Y88-W413 AromaticContact CZ-NE1 3.44Å; Y88-A416 WeakPolarHBondContact O-CB 3.41Å; Y88-L417 HydrophobicContact CD1-CD2 3.86Å; Y88-L417 HydrophobicContact CD1-CG 4.22Å; Y88-L417 HydrophobicContact CE1-CD2 3.88Å; Y88-L417 HydrophobicContact CE1-CG 4.48Å
89	C	95.9	Very high	94.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.6	-41.6	173.5	-65.2	0	0	0	0	111.9	F71 D85 S86 V87 A92 C93	F71-C89 HydrophobicContact CB-CB 4.43Å; F71-C89 HydrophobicContact CD1-CB 4.01Å; F71-C89 HydrophobicContact CD2-CB 3.51Å; F71-C89 HydrophobicContact CE1-CB 4.06Å; F71-C89 HydrophobicContact CE2-CB 3.57Å; F71-C89 HydrophobicContact CG-CB 3.73Å; F71-C89 HydrophobicContact CZ-CB 3.84Å; D85-C89 PolarHBondContact O-N 3.31Å; D85-C89 PolarHBondContact O-SG 2.99Å; S86-C89 PolarHBondContact O-N 3.45Å; V87-C89 PolarHBondContact O-N 3.4Å; C89-A92 PolarHBondContact O-N 3.46Å; C89-C93 PolarHBondContact O-N 2.88Å; C89-C93 VanDerWaalsContact O-N 3.12Å; C89-C93 PolarHBondContact O-SG 2.85Å
90	A	96.2	Very high	93.8	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-64.1	-39.3	174.4	0	0	0	0	0	112.2	S86 V87 Y88 C93 W94 A117 T120 M121 M184	S86-A90 WeakPolarHBondContact O-CB 3.47Å; S86-A90 PolarHBondContact O-N 3.47Å; V87-A90 WeakPolarHBondContact O-CB 3.48Å; V87-A90 PolarHBondContact O-N 3.45Å; Y88-A90 VanDerWaalsContact C-N 3.34Å; Y88-A90 PolarHBondContact O-N 3.11Å; A90-C93 PolarHBondContact O-N 3.45Å; A90-W94 VanDerWaalsContact O-CB 3.29Å; A90-W94 WeakPolarHBondContact O-CB 3.43Å; A90-W94 PolarHBondContact O-N 3.07Å; A90-A117 HydrophobicContact CB-CB 4.35Å; A90-A117 WeakPolarHBondContact O-CB 3.06Å; A90-T120 HydrophobicContact CB-CG2 4Å; A90-M121 HydrophobicContact CB-CG 4.37Å; A90-M121 HydrophobicContact CB-SD 4.38Å; A90-M184 HydrophobicContact CB-CE 3.95Å
91	M	94.8	Very high	93.4	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.01	3%	0.032	C	C	.	.	H	α-helix	trans	-62.5	-41.3	175.1	-68	166.8	76.8	0	0	112.1	V87 Y88 W94 A95 L176 T180 M184 Y301 P302 I420	V87-M91 HydrophobicContact CG1-CG 4.37Å; V87-M91 HydrophobicContact CG1-SD 4Å; V87-M91 VanDerWaalsContact O-CG 3.27Å; V87-M91 WeakPolarHBondContact O-CG 3.49Å; V87-M91 PolarHBondContact O-N 3.47Å; Y88-M91 HydrophobicContact CD1-SD 3.96Å; Y88-M91 HydrophobicContact CE1-SD 4.26Å; Y88-M91 WeakPolarHBondContact O-CB 3.39Å; Y88-M91 PolarHBondContact O-N 3.37Å; M91-W94 PolarHBondContact O-N 3.46Å; M91-A95 VanDerWaalsContact O-CB 3.27Å; M91-A95 WeakPolarHBondContact O-CB 3.41Å; M91-A95 PolarHBondContact O-N 2.99Å; M91-L176 HydrophobicContact SD-CD1 4.34Å; M91-T180 HydrophobicContact CG-CG2 3.51Å; M91-T180 HydrophobicContact SD-CG2 4.01Å; M91-M184 HydrophobicContact CG-CE 4.34Å; M91-Y301 WeakPolarHBondContact CE-OH 3.26Å; M91-P302 HydrophobicContact CE-CB 3.89Å; M91-I420 HydrophobicContact CB-CD1 4.17Å
92	A	92.5	Very high	92.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.3	-42.7	177.5	0	0	0	0	0	112.6	L60 Y88 C89 A95 L96 A416 I420	L60-A92 HydrophobicContact CD1-CB 3.79Å; Y88-A92 PolarHBondContact O-N 3.01Å; C89-A92 PolarHBondContact O-N 3.46Å; A92-A95 PolarHBondContact O-N 2.99Å; A92-L96 PolarHBondContact O-N 2.99Å; A92-L96 VanDerWaalsContact O-N 3.07Å; A92-A416 HydrophobicContact CB-CB 3.79Å; A92-I420 HydrophobicContact CB-CD1 4.19Å; A92-I420 HydrophobicContact CB-CG1 4.12Å
93	C	93.5	Very high	91.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.1	-43.9	175	-60.9	0	0	0	0	111.2	C89 A90 L96 S97 T116	C89-C93 PolarHBondContact O-N 2.88Å; C89-C93 VanDerWaalsContact O-N 3.12Å; C89-C93 PolarHBondContact O-SG 2.85Å; A90-C93 PolarHBondContact O-N 3.45Å; C93-L96 PolarHBondContact O-N 3.48Å; C93-S97 PolarHBondContact O-N 3.22Å; C93-T116 HydrophobicContact CB-CG2 4.18Å
94	W	94.6	Very high	90.4	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-63	-43.4	175.4	174.6	47.9	0	0	0	112.4	A90 M91 L96 S97 M98 A117 Q183 M184 L189 D433 P436	A90-W94 VanDerWaalsContact O-CB 3.29Å; A90-W94 WeakPolarHBondContact O-CB 3.43Å; A90-W94 PolarHBondContact O-N 3.07Å; M91-W94 PolarHBondContact O-N 3.46Å; W94-L96 PolarHBondContact O-N 3.22Å; W94-S97 WeakPolarHBondContact O-CA 3.35Å; W94-S97 WeakPolarHBondContact O-CB 3.37Å; W94-S97 PolarHBondContact O-N 2.66Å; W94-S97 VanDerWaalsContact O-N 3.11Å; W94-S97 PolarHBondContact O-OG 3.33Å; W94-M98 PolarHBondContact O-N 2.64Å; W94-A117 HydrophobicContact CB-CB 3.97Å; W94-Q183 HydrophobicContact CH2-CB 3.93Å; W94-Q183 HydrophobicContact CZ3-CB 4.11Å; W94-M184 HydrophobicContact CB-CE 3.91Å; W94-M184 HydrophobicContact CD2-CE 4.34Å; W94-M184 HydrophobicContact CD2-CG 3.76Å; W94-M184 HydrophobicContact CE3-CE 4.11Å; W94-M184 HydrophobicContact CE3-CG 3.77Å; W94-M184 HydrophobicContact CG-CE 4.29Å; W94-M184 HydrophobicContact CG-CG 4.2Å; W94-M184 HydrophobicContact CZ3-CG 4.19Å; W94-L189 HydrophobicContact CG-CD2 4.24Å; W94-D433 WeakPolarHBondContact CZ2-O 3.35Å; W94-P436 HydrophobicContact CH2-CG 4.16Å; W94-P436 HydrophobicContact CZ2-CG 4.49Å
95	A	91.8	Very high	88.9	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.6	-46.8	176.8	0	0	0	0	0	112	M91 A92 S97 M98 A99 I420 L423 I429 I434	M91-A95 VanDerWaalsContact O-CB 3.27Å; M91-A95 WeakPolarHBondContact O-CB 3.41Å; M91-A95 PolarHBondContact O-N 2.99Å; A92-A95 PolarHBondContact O-N 2.99Å; A95-S97 VanDerWaalsContact C-N 3.33Å; A95-S97 PolarHBondContact O-N 3.04Å; A95-M98 PolarHBondContact O-N 3.34Å; A95-A99 PolarHBondContact O-N 3.22Å; A95-I420 HydrophobicContact CB-CG1 4.09Å; A95-L423 HydrophobicContact CB-CD1 4.4Å; A95-I429 HydrophobicContact CB-CD1 3.95Å; A95-I429 WeakPolarHBondContact O-CG2 3.28Å; A95-I434 HydrophobicContact CB-CG2 3.7Å
96	L	90.3	Very high	87.1	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-38	174.5	-173.5	65.8	0	0	0	111.7	L43 Y47 I56 A92 C93 W94 M98 A99 Y100 L113 L423	L43-L96 HydrophobicContact CD2-CD1 3.83Å; Y47-L96 HydrophobicContact CD2-CD2 4.16Å; I56-L96 HydrophobicContact CB-CD2 4Å; I56-L96 HydrophobicContact CD1-CB 3.67Å; I56-L96 HydrophobicContact CD1-CD2 3.56Å; I56-L96 HydrophobicContact CD1-CG 4.22Å; I56-L96 HydrophobicContact CG1-CD2 3.73Å; I56-L96 HydrophobicContact CG2-CD2 4.4Å; A92-L96 PolarHBondContact O-N 2.99Å; A92-L96 VanDerWaalsContact O-N 3.07Å; C93-L96 PolarHBondContact O-N 3.48Å; W94-L96 PolarHBondContact O-N 3.22Å; L96-M98 VanDerWaalsContact C-N 3.29Å; L96-M98 PolarHBondContact O-N 3.16Å; L96-A99 WeakPolarHBondContact O-CB 3.49Å; L96-A99 PolarHBondContact O-N 3.27Å; L96-A99 VanDerWaalsContact O-N 3.09Å; L96-Y100 HydrophobicContact CD1-CD2 4.41Å; L96-Y100 HydrophobicContact CD1-CE2 4.15Å; L96-Y100 HydrophobicContact CD2-CE2 4.26Å; L96-Y100 HydrophobicContact CG-CD2 4.12Å; L96-Y100 HydrophobicContact CG-CE2 3.98Å; L96-Y100 PolarHBondContact O-N 3.25Å; L96-Y100 VanDerWaalsContact O-N 3.16Å; L96-L113 HydrophobicContact CB-CD1 4.03Å; L96-L113 HydrophobicContact CD2-CD1 3.68Å; L96-L113 HydrophobicContact CD2-CD2 4.29Å; L96-L113 HydrophobicContact CG-CD1 3.68Å; L96-L423 HydrophobicContact CB-CD1 4.12Å; L96-L423 HydrophobicContact CD1-CD1 4.13Å; L96-L423 HydrophobicContact CD1-CD2 3.85Å
97	S	91.2	Very high	85.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-37.6	175	86.6	0	0	0	0	112.4	C93 W94 A95 A99 Y100 K101 F110	C93-S97 PolarHBondContact O-N 3.22Å; W94-S97 WeakPolarHBondContact O-CA 3.35Å; W94-S97 WeakPolarHBondContact O-CB 3.37Å; W94-S97 PolarHBondContact O-N 2.66Å; W94-S97 VanDerWaalsContact O-N 3.11Å; W94-S97 PolarHBondContact O-OG 3.33Å; A95-S97 VanDerWaalsContact C-N 3.33Å; A95-S97 PolarHBondContact O-N 3.04Å; S97-A99 VanDerWaalsContact C-N 3.31Å; S97-A99 PolarHBondContact O-N 3.26Å; S97-Y100 PolarHBondContact O-N 3.07Å; S97-K101 WeakPolarHBondContact O-CB 3.1Å; S97-K101 PolarHBondContact O-N 3.07Å; S97-F110 VanDerWaalsContact O-CD2 3.28Å; S97-F110 WeakPolarHBondContact O-CD2 3.42Å
98	M	89.6	Confident	84.9	Confident	13 Å²	13	32.4 Å²	32.4	6%	0.064	17%	0.17	C	C	.	.	H	α-helix	trans	-68.8	-29.3	176.5	-67	-57.9	96.1	0	0	112.4	W94 A95 L96 K101 K102 F110 L189 D433	W94-M98 PolarHBondContact O-N 2.64Å; A95-M98 PolarHBondContact O-N 3.34Å; L96-M98 VanDerWaalsContact C-N 3.29Å; L96-M98 PolarHBondContact O-N 3.16Å; M98-K101 HydrophobicContact CE-CD 3.77Å; M98-K101 HydrophobicContact SD-CD 3.86Å; M98-K102 PolarHBondContact O-N 3.11Å; M98-F110 HydrophobicContact CE-CD2 4.49Å; M98-F110 HydrophobicContact CE-CE2 3.74Å; M98-L189 HydrophobicContact CE-CD1 4.44Å; M98-D433 HydrophobicContact CB-CB 4.27Å
99	A	88	Confident	84.4	Confident	2 Å²	2	35 Å²	35	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-68.1	-48.4	173.9	0	0	0	0	0	111.8	L43 A95 L96 S97 K101 K102 L103 L428 I429	L43-A99 HydrophobicContact CD1-CB 3.98Å; L43-A99 HydrophobicContact CD2-CB 3.54Å; L43-A99 HydrophobicContact CG-CB 4.44Å; A95-A99 PolarHBondContact O-N 3.22Å; L96-A99 WeakPolarHBondContact O-CB 3.49Å; L96-A99 PolarHBondContact O-N 3.27Å; L96-A99 VanDerWaalsContact O-N 3.09Å; S97-A99 VanDerWaalsContact C-N 3.31Å; S97-A99 PolarHBondContact O-N 3.26Å; A99-K101 VanDerWaalsContact C-N 3.35Å; A99-K101 PolarHBondContact O-N 2.61Å; A99-K102 WeakPolarHBondContact O-CB 3.42Å; A99-K102 PolarHBondContact O-N 2.76Å; A99-K102 VanDerWaalsContact O-N 3.13Å; A99-L103 PolarHBondContact O-N 2.71Å; A99-L428 HydrophobicContact CB-CB 4.43Å; A99-I429 HydrophobicContact CB-CG2 3.7Å
100	Y	87.4	Confident	84	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-44.8	174.1	-84.1	-82.6	0	0	0	111.8	L43 E44 Y47 L96 S97 K102 L103 N104 R109 L113	L43-Y100 HydrophobicContact CB-CE1 4.12Å; L43-Y100 HydrophobicContact CB-CE2 3.96Å; L43-Y100 HydrophobicContact CD1-CD1 4.02Å; L43-Y100 HydrophobicContact CD1-CD2 4.01Å; L43-Y100 HydrophobicContact CD1-CE1 4.29Å; L43-Y100 HydrophobicContact CD1-CE2 4.26Å; L43-Y100 HydrophobicContact CD1-CG 3.88Å; L43-Y100 PolarHBondContact O-OH 2.64Å; E44-Y100 PolarHBondContact OE1-OH 2.68Å; Y47-Y100 WeakPolarHBondContact CB-OH 3.19Å; Y47-Y100 HydrophobicContact CG-CE2 4.48Å; L96-Y100 HydrophobicContact CD1-CD2 4.41Å; L96-Y100 HydrophobicContact CD1-CE2 4.15Å; L96-Y100 HydrophobicContact CD2-CE2 4.26Å; L96-Y100 HydrophobicContact CG-CD2 4.12Å; L96-Y100 HydrophobicContact CG-CE2 3.98Å; L96-Y100 PolarHBondContact O-N 3.25Å; L96-Y100 VanDerWaalsContact O-N 3.16Å; S97-Y100 PolarHBondContact O-N 3.07Å; Y100-K102 PolarHBondContact O-N 2.95Å; Y100-K102 VanDerWaalsContact O-N 3.15Å; Y100-L103 PolarHBondContact O-N 2.6Å; Y100-L103 VanDerWaalsContact O-N 3.09Å; Y100-N104 PolarHBondContact O-N 3.22Å; Y100-R109 HydrophobicContact CD1-CB 3.7Å; Y100-R109 HydrophobicContact CD1-CG 4.18Å; Y100-R109 HydrophobicContact CD2-CB 4.12Å; Y100-R109 HydrophobicContact CE1-CB 3.64Å; Y100-R109 HydrophobicContact CE1-CG 3.65Å; Y100-R109 HydrophobicContact CE2-CB 4.08Å; Y100-R109 HydrophobicContact CG-CB 3.94Å; Y100-L113 HydrophobicContact CD2-CD1 3.97Å; Y100-L113 HydrophobicContact CE2-CD1 4.13Å
101	K	85.7	Confident	83.5	Confident	97 Å²	97	44.7 Å²	44.7	42%	0.422	22%	0.219	S	C	.	.	H	α-helix	trans	-53.8	-33.7	175.5	-173.4	-175.1	177.6	-172.7	0	112.8	S97 M98 A99 F110 G187	S97-K101 WeakPolarHBondContact O-CB 3.1Å; S97-K101 PolarHBondContact O-N 3.07Å; M98-K101 HydrophobicContact CE-CD 3.77Å; M98-K101 HydrophobicContact SD-CD 3.86Å; A99-K101 VanDerWaalsContact C-N 3.35Å; A99-K101 PolarHBondContact O-N 2.61Å; K101-F110 HydrophobicContact CB-CD2 3.86Å; K101-F110 HydrophobicContact CB-CE2 3.96Å; K101-F110 HydrophobicContact CB-CG 4.25Å; K101-F110 HydrophobicContact CB-CZ 4.4Å; K101-F110 HydrophobicContact CD-CE2 3.91Å; K101-F110 HydrophobicContact CD-CZ 3.94Å; K101-F110 HydrophobicContact CG-CD2 4.45Å; K101-F110 HydrophobicContact CG-CE1 4.45Å; K101-F110 HydrophobicContact CG-CE2 4.12Å; K101-F110 HydrophobicContact CG-CZ 4.11Å; K101-G187 PolarHBondContact NZ-O 2.93Å
102	K	79.4	Confident	83.3	Confident	57 Å²	57	48 Å²	48	25%	0.248	23%	0.234	C	C	.	.	H	α-helix	trans	-75.7	-32.6	178.1	-81.3	-177.3	171.3	179.6	0	114.4	M98 A99 Y100 N104 D433	M98-K102 PolarHBondContact O-N 3.11Å; A99-K102 WeakPolarHBondContact O-CB 3.42Å; A99-K102 PolarHBondContact O-N 2.76Å; A99-K102 VanDerWaalsContact O-N 3.13Å; Y100-K102 PolarHBondContact O-N 2.95Å; Y100-K102 VanDerWaalsContact O-N 3.15Å; K102-N104 PolarHBondContact O-N 3.21Å; K102-D433 WeakPolarHBondContact CE-OD1 3.45Å; K102-D433 WeakPolarHBondContact CE-OD2 3.48Å; K102-D433 IonicContact NZ-OD1 2.73Å; K102-D433 PolarHBondContact NZ-OD1 2.93Å; K102-D433 IonicContact NZ-OD2 2.83Å; K102-D433 PolarHBondContact NZ-OD2 2.8Å
103	L	77.1	Confident	83.3	Confident	7 Å²	7	48 Å²	48	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-75.7	-17.7	175.6	-59.2	-175	0	0	0	111.8	Y31 K36 C39 L40 L43 A99 Y100 D105	Y31-L103 HydrophobicContact CD2-CD2 3.4Å; Y31-L103 VanDerWaalsContact CD2-CD2 3.4Å; Y31-L103 HydrophobicContact CE2-CD2 3.47Å; Y31-L103 VanDerWaalsContact CE2-CD2 3.47Å; Y31-L103 HydrophobicContact CG-CD2 4.28Å; K36-L103 PolarHBondContact NZ-O 3.21Å; C39-L103 HydrophobicContact CB-CD1 3.7Å; C39-L103 HydrophobicContact CB-CD2 3.88Å; C39-L103 HydrophobicContact CB-CG 4.46Å; L40-L103 HydrophobicContact CB-CD1 4.45Å; L40-L103 HydrophobicContact CD2-CB 4.24Å; L40-L103 HydrophobicContact CD2-CD1 3.69Å; L40-L103 HydrophobicContact CG-CD1 3.75Å; L43-L103 HydrophobicContact CD1-CD1 3.52Å; L43-L103 HydrophobicContact CD1-CG 4.22Å; L43-L103 HydrophobicContact CG-CD1 4.16Å; A99-L103 PolarHBondContact O-N 2.71Å; Y100-L103 PolarHBondContact O-N 2.6Å; Y100-L103 VanDerWaalsContact O-N 3.09Å; L103-D105 VanDerWaalsContact C-N 3.34Å
104	N	68.5	Low	83.2	Confident	136 Å²	136	49.6 Å²	49.6	73%	0.727	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	41.2	-177.8	-156	96.7	0	0	0	111.7	Y100 K102	Y100-N104 PolarHBondContact O-N 3.22Å; K102-N104 PolarHBondContact O-N 3.21Å
105	D	63.5	Low	83.2	Confident	34 Å²	34	52.7 Å²	52.7	18%	0.182	26%	0.256	C	S	.	.			trans	-93.7	129	176.9	175.7	26.4	0	0	0	110.1	L40 L103 Q107	L40-D105 HydrophobicContact CD2-CB 3.86Å; L40-D105 WeakPolarHBondContact CD2-OD2 3.31Å; L103-D105 VanDerWaalsContact C-N 3.34Å; D105-Q107 WeakPolarHBondContact OD1-CG 3.38Å; D105-Q107 PolarHBondContact OD1-N 3.31Å
106	D	59.2	Low	83.3	Confident	152 Å²	152	53.4 Å²	53.4	81%	0.813	26%	0.26	S	S	*	.			trans	-111.8	17.3	-168.3	61.6	-11.4	0	0	0	113.9	G108	D106-G108 PolarHBondContact O-N 3.49Å
107	Q	70	Confident	83.6	Confident	139 Å²	139	53.4 Å²	53.4	65%	0.65	26%	0.26	S	S	*	.	S	Bend	trans	-57.8	22.4	168	-68.5	-86.5	-10	0	0	115.3	D105 R109	D105-Q107 WeakPolarHBondContact OD1-CG 3.38Å; D105-Q107 PolarHBondContact OD1-N 3.31Å; Q107-R109 HydrophobicContact CB-CG 4.14Å; Q107-R109 PolarHBondContact O-N 2.73Å
108	G	78.9	Confident	83.8	Confident	37 Å²	37	53.7 Å²	53.7	38%	0.381	26%	0.262	S	S	.	.	S	Bend	trans	73.1	-28	-177.6	0	0	0	0	0	115.2	D106 F110 Y111 E112	D106-G108 PolarHBondContact O-N 3.49Å; G108-F110 VanDerWaalsContact C-N 3.33Å; G108-F110 PolarHBondContact O-N 2.87Å; G108-F110 VanDerWaalsContact O-N 3.14Å; G108-Y111 WeakPolarHBondContact O-CA 3.37Å; G108-Y111 WeakPolarHBondContact O-CB 3.17Å; G108-Y111 PolarHBondContact O-N 3.01Å; G108-E112 PolarHBondContact O-N 3.41Å
109	R	84.3	Confident	84.2	Confident	57 Å²	57	56.8 Å²	56.8	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-43.8	-49.1	-175.4	-58.5	-59.1	-164.5	-141.3	1.9	114.6	E44 Y47 Y100 Q107 Y111 E112 L113	E44-R109 IonicContact OE1-CZ 3.89Å; E44-R109 IonicContact OE1-NE 3.76Å; E44-R109 PolarHBondContact OE1-NE 3.14Å; E44-R109 IonicContact OE1-NH2 3.77Å; E44-R109 IonicContact OE2-CZ 3.91Å; E44-R109 IonicContact OE2-NE 2.75Å; E44-R109 IonicContact OE2-NH2 3.13Å; E44-R109 PolarHBondContact OE2-NH2 3.16Å; E44-R109 VanDerWaalsContact OE2-NH2 3.13Å; Y47-R109 VanDerWaalsContact CE1-CD 3.49Å; Y47-R109 PolarHBondContact OH-NH1 2.83Å; Y100-R109 HydrophobicContact CD1-CB 3.7Å; Y100-R109 HydrophobicContact CD1-CG 4.18Å; Y100-R109 HydrophobicContact CD2-CB 4.12Å; Y100-R109 HydrophobicContact CE1-CB 3.64Å; Y100-R109 HydrophobicContact CE1-CG 3.65Å; Y100-R109 HydrophobicContact CE2-CB 4.08Å; Y100-R109 HydrophobicContact CG-CB 3.94Å; Q107-R109 HydrophobicContact CB-CG 4.14Å; Q107-R109 PolarHBondContact O-N 2.73Å; R109-Y111 PolarHBondContact O-N 3.47Å; R109-E112 PolarHBondContact O-N 3.3Å; R109-L113 WeakPolarHBondContact O-CB 3.48Å; R109-L113 WeakPolarHBondContact O-CG 3.38Å; R109-L113 PolarHBondContact O-N 2.74Å
110	F	86.7	Confident	84.7	Confident	58 Å²	58	56.7 Å²	56.7	25%	0.254	27%	0.274	S	S	.	.	H	α-helix	trans	-57.9	-47.3	177.1	162.7	-126.6	0	0	0	111.8	S97 M98 K101 G108 K114	S97-F110 VanDerWaalsContact O-CD2 3.28Å; S97-F110 WeakPolarHBondContact O-CD2 3.42Å; M98-F110 HydrophobicContact CE-CD2 4.49Å; M98-F110 HydrophobicContact CE-CE2 3.74Å; K101-F110 HydrophobicContact CB-CD2 3.86Å; K101-F110 HydrophobicContact CB-CE2 3.96Å; K101-F110 HydrophobicContact CB-CG 4.25Å; K101-F110 HydrophobicContact CB-CZ 4.4Å; K101-F110 HydrophobicContact CD-CE2 3.91Å; K101-F110 HydrophobicContact CD-CZ 3.94Å; K101-F110 HydrophobicContact CG-CD2 4.45Å; K101-F110 HydrophobicContact CG-CE1 4.45Å; K101-F110 HydrophobicContact CG-CE2 4.12Å; K101-F110 HydrophobicContact CG-CZ 4.11Å; G108-F110 VanDerWaalsContact C-N 3.33Å; G108-F110 PolarHBondContact O-N 2.87Å; G108-F110 VanDerWaalsContact O-N 3.14Å; F110-K114 HydrophobicContact CE2-CB 4.44Å; F110-K114 HydrophobicContact CE2-CD 4.34Å; F110-K114 HydrophobicContact CZ-CD 4.21Å; F110-K114 WeakPolarHBondContact O-CB 3.47Å; F110-K114 PolarHBondContact O-N 2.77Å
111	Y	87.7	Confident	85.2	Confident	145 Å²	145	56.7 Å²	56.7	57%	0.569	27%	0.274	S	S	*	.	H	α-helix	trans	-70.1	-42.9	-177.9	-169.6	-88.1	0	0	0	111.6	G108 R109 K114 Q115	G108-Y111 WeakPolarHBondContact O-CA 3.37Å; G108-Y111 WeakPolarHBondContact O-CB 3.17Å; G108-Y111 PolarHBondContact O-N 3.01Å; R109-Y111 PolarHBondContact O-N 3.47Å; Y111-K114 WeakPolarHBondContact O-CB 3.4Å; Y111-K114 PolarHBondContact O-N 3.35Å; Y111-Q115 HydrophobicContact CD1-CG 3.86Å; Y111-Q115 HydrophobicContact CE1-CG 3.54Å; Y111-Q115 VanDerWaalsContact CZ-NE2 3.32Å; Y111-Q115 WeakPolarHBondContact O-CG 3.44Å; Y111-Q115 PolarHBondContact O-N 3.15Å; Y111-Q115 PolarHBondContact OH-NE2 2.92Å
112	E	89.5	Confident	85.7	Confident	71 Å²	71	54.4 Å²	54.4	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-56.1	-59.2	176.4	-174	-162.7	133.4	0	0	111.4	Y47 G108 R109 K114 Q115 T116	Y47-E112 PolarHBondContact OH-OE1 2.95Å; Y47-E112 PolarHBondContact OH-OE2 2.85Å; G108-E112 PolarHBondContact O-N 3.41Å; R109-E112 PolarHBondContact O-N 3.3Å; E112-K114 VanDerWaalsContact C-N 3.27Å; E112-K114 PolarHBondContact O-N 3.4Å; E112-Q115 PolarHBondContact O-N 2.84Å; E112-T116 PolarHBondContact O-N 3.47Å; E112-T116 PolarHBondContact O-OG1 3.48Å
113	L	91.6	Very high	86.6	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-35.2	179.6	-68.7	167.5	0	0	0	112.6	Y47 I56 L61 L96 Y100 R109 A117	Y47-L113 HydrophobicContact CD2-CD1 4.08Å; Y47-L113 HydrophobicContact CD2-CD2 4.18Å; Y47-L113 HydrophobicContact CD2-CG 4.33Å; Y47-L113 HydrophobicContact CE2-CD1 4.44Å; Y47-L113 HydrophobicContact CE2-CD2 4.09Å; Y47-L113 HydrophobicContact CE2-CG 4.23Å; I56-L113 HydrophobicContact CG2-CD2 3.88Å; L61-L113 HydrophobicContact CD1-CD2 4.27Å; L96-L113 HydrophobicContact CB-CD1 4.03Å; L96-L113 HydrophobicContact CD2-CD1 3.68Å; L96-L113 HydrophobicContact CD2-CD2 4.29Å; L96-L113 HydrophobicContact CG-CD1 3.68Å; Y100-L113 HydrophobicContact CD2-CD1 3.97Å; Y100-L113 HydrophobicContact CE2-CD1 4.13Å; R109-L113 WeakPolarHBondContact O-CB 3.48Å; R109-L113 WeakPolarHBondContact O-CG 3.38Å; R109-L113 PolarHBondContact O-N 2.74Å; L113-A117 PolarHBondContact O-N 2.68Å
114	K	92.4	Very high	87.6	Confident	35 Å²	35	51.6 Å²	51.6	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-47.8	172.8	-175.6	-170.9	-177.3	-176.8	0	110.6	F110 Y111 E112 A117 V118 G188 L189	F110-K114 HydrophobicContact CE2-CB 4.44Å; F110-K114 HydrophobicContact CE2-CD 4.34Å; F110-K114 HydrophobicContact CZ-CD 4.21Å; F110-K114 WeakPolarHBondContact O-CB 3.47Å; F110-K114 PolarHBondContact O-N 2.77Å; Y111-K114 WeakPolarHBondContact O-CB 3.4Å; Y111-K114 PolarHBondContact O-N 3.35Å; E112-K114 VanDerWaalsContact C-N 3.27Å; E112-K114 PolarHBondContact O-N 3.4Å; K114-A117 PolarHBondContact O-N 3.43Å; K114-V118 WeakPolarHBondContact O-CG2 3.42Å; K114-V118 PolarHBondContact O-N 3.4Å; K114-G188 VanDerWaalsContact CE-O 3.29Å; K114-G188 WeakPolarHBondContact CE-O 3.32Å; K114-G188 PolarHBondContact NZ-O 3.28Å; K114-L189 HydrophobicContact CD-CD1 4.38Å; K114-L189 HydrophobicContact CD-CG 4.38Å; K114-L189 HydrophobicContact CG-CD1 3.96Å; K114-L189 HydrophobicContact CG-CD2 4.33Å; K114-L189 HydrophobicContact CG-CG 3.77Å
115	Q	93.7	Very high	89	Confident	66 Å²	66	45.2 Å²	45.2	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-70.2	-33	-179.6	-67.1	-63	5.8	0	0	112.6	Y111 E112 A117 V118 K119	Y111-Q115 HydrophobicContact CD1-CG 3.86Å; Y111-Q115 HydrophobicContact CE1-CG 3.54Å; Y111-Q115 VanDerWaalsContact CZ-NE2 3.32Å; Y111-Q115 WeakPolarHBondContact O-CG 3.44Å; Y111-Q115 PolarHBondContact O-N 3.15Å; Y111-Q115 PolarHBondContact OH-NE2 2.92Å; E112-Q115 PolarHBondContact O-N 2.84Å; Q115-A117 PolarHBondContact O-N 3.35Å; Q115-V118 PolarHBondContact O-N 3.19Å; Q115-K119 VanDerWaalsContact O-CB 3.23Å; Q115-K119 WeakPolarHBondContact O-CB 3.42Å; Q115-K119 PolarHBondContact O-N 2.81Å
116	T	94.5	Very high	90.6	Very high	15 Å²	15	47.2 Å²	47.2	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-53.4	-52.6	168.1	-57.2	0	0	0	0	110.8	L61 Q64 C93 E112 K119 T120	L61-T116 HydrophobicContact CD2-CG2 3.41Å; L61-T116 VanDerWaalsContact CD2-CG2 3.41Å; Q64-T116 PolarHBondContact NE2-O 3.35Å; Q64-T116 VanDerWaalsContact NE2-O 3.09Å; C93-T116 HydrophobicContact CB-CG2 4.18Å; E112-T116 PolarHBondContact O-N 3.47Å; E112-T116 PolarHBondContact O-OG1 3.48Å; T116-K119 PolarHBondContact O-N 3.23Å; T116-T120 PolarHBondContact O-N 3.33Å; T116-T120 VanDerWaalsContact O-N 3.11Å; T116-T120 PolarHBondContact O-OG1 3.18Å
117	A	96.3	Very high	92.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-43.2	-178	0	0	0	0	0	112.4	A90 W94 L113 K114 Q115 K119 T120 M121 M184 L189	A90-A117 HydrophobicContact CB-CB 4.35Å; A90-A117 WeakPolarHBondContact O-CB 3.06Å; W94-A117 HydrophobicContact CB-CB 3.97Å; L113-A117 PolarHBondContact O-N 2.68Å; K114-A117 PolarHBondContact O-N 3.43Å; Q115-A117 PolarHBondContact O-N 3.35Å; A117-K119 VanDerWaalsContact C-N 3.34Å; A117-K119 PolarHBondContact O-N 2.89Å; A117-T120 PolarHBondContact O-N 2.91Å; A117-M121 WeakPolarHBondContact O-CG 3.48Å; A117-M121 PolarHBondContact O-N 3.12Å; A117-M184 HydrophobicContact CB-CE 4.23Å; A117-L189 HydrophobicContact CB-CD2 4.29Å
118	V	97	Very high	93.7	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-46.5	173.7	171.2	0	0	0	0	110.7	K114 Q115 T120 M121 R122 L189 V191	K114-V118 WeakPolarHBondContact O-CG2 3.42Å; K114-V118 PolarHBondContact O-N 3.4Å; Q115-V118 PolarHBondContact O-N 3.19Å; V118-T120 PolarHBondContact O-N 3.47Å; V118-M121 PolarHBondContact O-N 3.37Å; V118-R122 HydrophobicContact CG1-CG 4.22Å; V118-R122 WeakPolarHBondContact O-CB 3.4Å; V118-R122 WeakPolarHBondContact O-CG 3.25Å; V118-R122 PolarHBondContact O-N 2.91Å; V118-L189 HydrophobicContact CG2-CB 4.19Å; V118-L189 HydrophobicContact CG2-CD2 4Å; V118-L189 HydrophobicContact CG2-CG 4.08Å; V118-V191 HydrophobicContact CG2-CG2 4.36Å
119	K	97.1	Very high	94.5	Very high	79 Å²	79	33.7 Å²	33.7	34%	0.343	15%	0.151	S	C	.	.	H	α-helix	trans	-59.7	-44.3	-179.6	-172.6	-178	-178.5	178.4	0	112.2	S66 Q115 T116 A117 R122 G123	S66-K119 PolarHBondContact O-NZ 3.21Å; Q115-K119 VanDerWaalsContact O-CB 3.23Å; Q115-K119 WeakPolarHBondContact O-CB 3.42Å; Q115-K119 PolarHBondContact O-N 2.81Å; T116-K119 PolarHBondContact O-N 3.23Å; A117-K119 VanDerWaalsContact C-N 3.34Å; A117-K119 PolarHBondContact O-N 2.89Å; K119-R122 PolarHBondContact O-N 3.46Å; K119-G123 PolarHBondContact O-N 2.96Å
120	T	97.7	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-48.3	177.1	-45.4	0	0	0	0	112.3	Q64 G69 F71 S86 A90 T116 A117 V118 R122 G123 I124	Q64-T120 PolarHBondContact NE2-OG1 3.23Å; G69-T120 WeakPolarHBondContact O-CA 3.43Å; G69-T120 WeakPolarHBondContact O-CG2 3.46Å; G69-T120 PolarHBondContact O-OG1 2.92Å; F71-T120 HydrophobicContact CD2-CG2 3.96Å; F71-T120 HydrophobicContact CE2-CG2 4Å; F71-T120 WeakPolarHBondContact CE2-OG1 3.5Å; S86-T120 WeakPolarHBondContact O-CG2 3.44Å; A90-T120 HydrophobicContact CB-CG2 4Å; T116-T120 PolarHBondContact O-N 3.33Å; T116-T120 VanDerWaalsContact O-N 3.11Å; T116-T120 PolarHBondContact O-OG1 3.18Å; A117-T120 PolarHBondContact O-N 2.91Å; V118-T120 PolarHBondContact O-N 3.47Å; T120-R122 VanDerWaalsContact C-N 3.35Å; T120-R122 PolarHBondContact O-N 3.17Å; T120-G123 WeakPolarHBondContact O-CA 3.47Å; T120-G123 PolarHBondContact O-N 3.5Å; T120-G123 VanDerWaalsContact O-N 3.16Å; T120-I124 HydrophobicContact CG2-CD1 4.43Å; T120-I124 WeakPolarHBondContact O-CG1 3.17Å; T120-I124 PolarHBondContact O-N 3.03Å
121	M	98.1	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.8	-38	-178.4	-64.4	-62.4	-74.6	0	0	111.5	V87 A90 A117 V118 G123 I124 L125 F177 T180 L181 M184 V191	V87-M121 HydrophobicContact CG1-SD 4.25Å; V87-M121 HydrophobicContact CG2-SD 4.2Å; A90-M121 HydrophobicContact CB-CG 4.37Å; A90-M121 HydrophobicContact CB-SD 4.38Å; A117-M121 WeakPolarHBondContact O-CG 3.48Å; A117-M121 PolarHBondContact O-N 3.12Å; V118-M121 PolarHBondContact O-N 3.37Å; M121-G123 VanDerWaalsContact C-N 3.35Å; M121-I124 HydrophobicContact SD-CD1 4.49Å; M121-L125 WeakPolarHBondContact O-CB 3.5Å; M121-L125 PolarHBondContact O-N 3.03Å; M121-F177 HydrophobicContact CB-CE2 4.34Å; M121-F177 HydrophobicContact CE-CD2 3.47Å; M121-F177 VanDerWaalsContact CE-CD2 3.47Å; M121-F177 HydrophobicContact CE-CE2 3.56Å; M121-F177 HydrophobicContact CE-CG 4.19Å; M121-F177 HydrophobicContact CE-CZ 4.33Å; M121-F177 WeakPolarHBondContact O-CE2 3.32Å; M121-F177 HydrophobicContact SD-CD2 4.08Å; M121-F177 HydrophobicContact SD-CE2 4.15Å; M121-T180 HydrophobicContact CE-CG2 4.06Å; M121-T180 HydrophobicContact SD-CG2 4.41Å; M121-L181 HydrophobicContact CE-CB 3.99Å; M121-M184 HydrophobicContact CG-CE 4.34Å; M121-M184 HydrophobicContact CG-SD 3.73Å; M121-M184 HydrophobicContact SD-SD 4.49Å; M121-V191 HydrophobicContact CB-CG1 3.8Å
122	R	97.3	Very high	95.8	Very high	48 Å²	48	28.6 Å²	28.6	18%	0.181	13%	0.131	C	C	.	.	H	α-helix	trans	-67.6	-34.7	172	-70.1	-169.7	59.4	65.1	9.3	112.5	V118 K119 T120 L125 L126 V191 E197	V118-R122 HydrophobicContact CG1-CG 4.22Å; V118-R122 WeakPolarHBondContact O-CB 3.4Å; V118-R122 WeakPolarHBondContact O-CG 3.25Å; V118-R122 PolarHBondContact O-N 2.91Å; K119-R122 PolarHBondContact O-N 3.46Å; T120-R122 VanDerWaalsContact C-N 3.35Å; T120-R122 PolarHBondContact O-N 3.17Å; R122-L125 PolarHBondContact O-N 2.93Å; R122-L126 WeakPolarHBondContact O-CB 3.5Å; R122-L126 VanDerWaalsContact O-CG 3.25Å; R122-L126 WeakPolarHBondContact O-CG 3.33Å; R122-L126 PolarHBondContact O-N 3.45Å; R122-V191 WeakPolarHBondContact CD-O 3.35Å; R122-V191 HydrophobicContact CG-CG1 3.97Å; R122-V191 WeakPolarHBondContact CG-O 3.44Å; R122-V191 PolarHBondContact NH1-O 3.1Å; R122-E197 IonicContact CZ-OE1 2.65Å; R122-E197 IonicContact NH1-OE1 2.96Å; R122-E197 PolarHBondContact NH1-OE1 3.39Å; R122-E197 IonicContact NH1-OE2 3.53Å; R122-E197 IonicContact NH2-OE1 2.76Å; R122-E197 PolarHBondContact NH2-OE1 3.24Å
123	G	97	Very high	96.1	Very high	6 Å²	6	29.6 Å²	29.6	6%	0.062	14%	0.139	C	C	.	.	H	α-helix	trans	-54.9	-56.6	171.7	0	0	0	0	0	112.2	S68 K119 T120 M121 L125 L126 C127	S68-G123 WeakPolarHBondContact O-CA 3.39Å; K119-G123 PolarHBondContact O-N 2.96Å; T120-G123 WeakPolarHBondContact O-CA 3.47Å; T120-G123 PolarHBondContact O-N 3.5Å; T120-G123 VanDerWaalsContact O-N 3.16Å; M121-G123 VanDerWaalsContact C-N 3.35Å; G123-L125 VanDerWaalsContact C-N 3.34Å; G123-L125 PolarHBondContact O-N 2.93Å; G123-L126 PolarHBondContact O-N 3.49Å; G123-C127 PolarHBondContact O-N 3.3Å; G123-C127 PolarHBondContact O-SG 3.4Å
124	I	98	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-46.5	177.4	-62	161.9	0	0	0	110.9	L70 V83 V87 T120 M121 L126 C127 W128 F177	L70-I124 HydrophobicContact CD2-CG1 3.61Å; V83-I124 HydrophobicContact CG1-CD1 4.29Å; V83-I124 HydrophobicContact CG1-CG1 4.48Å; V83-I124 HydrophobicContact CG1-CG2 3.89Å; V83-I124 HydrophobicContact CG2-CG2 4.28Å; V87-I124 HydrophobicContact CG2-CD1 3.56Å; T120-I124 HydrophobicContact CG2-CD1 4.43Å; T120-I124 WeakPolarHBondContact O-CG1 3.17Å; T120-I124 PolarHBondContact O-N 3.03Å; M121-I124 HydrophobicContact SD-CD1 4.49Å; I124-L126 PolarHBondContact O-N 2.91Å; I124-C127 WeakPolarHBondContact O-CB 3.48Å; I124-C127 PolarHBondContact O-N 2.62Å; I124-W128 HydrophobicContact CG2-CD2 4.1Å; I124-W128 HydrophobicContact CG2-CE3 3.83Å; I124-W128 HydrophobicContact CG2-CH2 3.88Å; I124-W128 HydrophobicContact CG2-CZ2 4.17Å; I124-W128 HydrophobicContact CG2-CZ3 3.72Å; I124-W128 PolarHBondContact O-N 2.7Å; I124-F177 HydrophobicContact CB-CD2 4.08Å; I124-F177 HydrophobicContact CB-CE2 3.92Å; I124-F177 HydrophobicContact CD1-CD2 4.16Å; I124-F177 HydrophobicContact CG2-CD2 3.66Å; I124-F177 HydrophobicContact CG2-CE2 3.85Å; I124-F177 HydrophobicContact CG2-CG 4.36Å
125	L	97.8	Very high	96.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-57.5	-47.6	178.2	-178	62.4	0	0	0	112	M121 R122 G123 C127 W128 M129 F177 I192 E197 F200 V201	M121-L125 WeakPolarHBondContact O-CB 3.5Å; M121-L125 PolarHBondContact O-N 3.03Å; R122-L125 PolarHBondContact O-N 2.93Å; G123-L125 VanDerWaalsContact C-N 3.34Å; G123-L125 PolarHBondContact O-N 2.93Å; L125-C127 VanDerWaalsContact C-N 3.33Å; L125-C127 PolarHBondContact O-N 3.01Å; L125-W128 PolarHBondContact O-N 3.1Å; L125-M129 HydrophobicContact CD1-CG 4.37Å; L125-M129 HydrophobicContact CD1-SD 4.33Å; L125-M129 HydrophobicContact CG-CG 4.43Å; L125-M129 HydrophobicContact CG-SD 3.96Å; L125-M129 VanDerWaalsContact O-CG 3.29Å; L125-M129 WeakPolarHBondContact O-CG 3.42Å; L125-M129 PolarHBondContact O-N 3.25Å; L125-F177 HydrophobicContact CB-CZ 4.15Å; L125-I192 HydrophobicContact CD2-CD1 3.49Å; L125-I192 VanDerWaalsContact CD2-CD1 3.49Å; L125-E197 HydrophobicContact CD2-CB 4.24Å; L125-E197 HydrophobicContact CD2-CG 4Å; L125-F200 HydrophobicContact CD1-CD1 3.72Å; L125-F200 HydrophobicContact CD1-CE1 4.29Å; L125-V201 HydrophobicContact CD1-CG2 4.08Å
126	L	96.8	Very high	96.6	Very high	77 Å²	77	28.8 Å²	28.8	40%	0.403	14%	0.135	S	C	.	.	H	α-helix	trans	-67.6	-32.2	178.8	-69.2	170.1	0	0	0	112.6	R122 G123 I124 M129 R130	R122-L126 WeakPolarHBondContact O-CB 3.5Å; R122-L126 VanDerWaalsContact O-CG 3.25Å; R122-L126 WeakPolarHBondContact O-CG 3.33Å; R122-L126 PolarHBondContact O-N 3.45Å; G123-L126 PolarHBondContact O-N 3.49Å; I124-L126 PolarHBondContact O-N 2.91Å; L126-M129 HydrophobicContact CD2-SD 4.39Å; L126-R130 WeakPolarHBondContact O-CD 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.33Å; L126-R130 PolarHBondContact O-N 2.97Å
127	C	97	Very high	96.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-40.8	173.2	-63.8	0	0	0	0	111.6	G123 I124 L125 F152 G157	G123-C127 PolarHBondContact O-N 3.3Å; G123-C127 PolarHBondContact O-SG 3.4Å; I124-C127 WeakPolarHBondContact O-CB 3.48Å; I124-C127 PolarHBondContact O-N 2.62Å; L125-C127 VanDerWaalsContact C-N 3.33Å; L125-C127 PolarHBondContact O-N 3.01Å; C127-F152 HydrophobicContact CB-CD1 3.9Å; C127-F152 HydrophobicContact CB-CD2 3.93Å; C127-F152 HydrophobicContact CB-CE1 3.72Å; C127-F152 HydrophobicContact CB-CE2 3.74Å; C127-F152 HydrophobicContact CB-CG 4.01Å; C127-F152 HydrophobicContact CB-CZ 3.64Å; C127-G157 VanDerWaalsContact SG-CA 3.54Å; C127-G157 PolarHBondContact SG-O 2.97Å; C127-G157 VanDerWaalsContact SG-O 3.35Å
128	W	97.3	Very high	96.5	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-78	-31.3	175.4	-71.3	-29.3	0	0	0	114	V83 I124 L125 R130 Q131 L148 H149 F152 V174 F177 F200 L204	V83-W128 HydrophobicContact CB-CZ2 4.48Å; V83-W128 HydrophobicContact CG1-CH2 3.85Å; V83-W128 HydrophobicContact CG1-CZ2 3.76Å; V83-W128 HydrophobicContact CG2-CZ2 4.17Å; I124-W128 HydrophobicContact CG2-CD2 4.1Å; I124-W128 HydrophobicContact CG2-CE3 3.83Å; I124-W128 HydrophobicContact CG2-CH2 3.88Å; I124-W128 HydrophobicContact CG2-CZ2 4.17Å; I124-W128 HydrophobicContact CG2-CZ3 3.72Å; I124-W128 PolarHBondContact O-N 2.7Å; L125-W128 PolarHBondContact O-N 3.1Å; W128-R130 PolarHBondContact O-N 3.18Å; W128-Q131 CarbonylContact O-C 3.54Å; W128-Q131 WeakPolarHBondContact O-CA 3.44Å; W128-Q131 WeakPolarHBondContact O-CB 3.46Å; W128-Q131 PolarHBondContact O-N 3.09Å; W128-L148 HydrophobicContact CB-CD2 4.44Å; W128-L148 HydrophobicContact CD2-CD1 4.31Å; W128-L148 HydrophobicContact CG-CD1 4.19Å; W128-L148 HydrophobicContact CG-CD2 4.4Å; W128-H149 PolarHBondContact NE1-O 3.46Å; W128-F152 AromaticContact CD1-CZ 3.65Å; W128-F152 AromaticContact NE1-CE2 3.9Å; W128-F152 AromaticContact NE1-CZ 3.81Å; W128-V174 HydrophobicContact CH2-CB 4.33Å; W128-V174 HydrophobicContact CH2-CG1 4.48Å; W128-V174 HydrophobicContact CH2-CG2 4Å; W128-V174 HydrophobicContact CZ2-CG2 4.03Å; W128-V174 HydrophobicContact CZ3-CG1 4.5Å; W128-F177 HydrophobicContact CE3-CD1 4.43Å; W128-F177 HydrophobicContact CH2-CB 3.92Å; W128-F177 HydrophobicContact CH2-CG 4.18Å; W128-F177 HydrophobicContact CZ3-CB 3.83Å; W128-F177 AromaticContact CZ3-CD1 3.65Å; W128-F177 HydrophobicContact CZ3-CD1 3.65Å; W128-F177 HydrophobicContact CZ3-CD2 4.21Å; W128-F177 HydrophobicContact CZ3-CE1 4.26Å; W128-F177 AromaticContact CZ3-CG 3.62Å; W128-F177 HydrophobicContact CZ3-CG 3.62Å; W128-F200 HydrophobicContact CB-CE1 3.71Å; W128-F200 HydrophobicContact CB-CZ 3.68Å; W128-F200 WeakPolarHBondContact O-CE2 3.34Å; W128-F200 WeakPolarHBondContact O-CZ 3.42Å; W128-L204 HydrophobicContact CE3-CD1 4.17Å; W128-L204 HydrophobicContact CE3-CD2 4.49Å; W128-L204 HydrophobicContact CZ3-CD1 4.44Å
129	M	96.5	Very high	96.2	Very high	40 Å²	40	31.5 Å²	31.5	20%	0.197	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-26.3	173.8	-74.8	176.8	81.4	0	0	112.6	L125 L126 Q131 E197 F200 M517	L125-M129 HydrophobicContact CD1-CG 4.37Å; L125-M129 HydrophobicContact CD1-SD 4.33Å; L125-M129 HydrophobicContact CG-CG 4.43Å; L125-M129 HydrophobicContact CG-SD 3.96Å; L125-M129 VanDerWaalsContact O-CG 3.29Å; L125-M129 WeakPolarHBondContact O-CG 3.42Å; L125-M129 PolarHBondContact O-N 3.25Å; L126-M129 HydrophobicContact CD2-SD 4.39Å; M129-Q131 PolarHBondContact O-N 2.9Å; M129-E197 HydrophobicContact CE-CG 3.88Å; M129-E197 HydrophobicContact SD-CG 3.75Å; M129-F200 HydrophobicContact CB-CD2 4.37Å; M129-F200 HydrophobicContact CB-CE2 4.42Å; M129-F200 HydrophobicContact CG-CB 4.12Å; M129-F200 HydrophobicContact CG-CD1 3.8Å; M129-F200 HydrophobicContact CG-CD2 3.7Å; M129-F200 HydrophobicContact CG-CE1 4.17Å; M129-F200 HydrophobicContact CG-CE2 4.09Å; M129-F200 HydrophobicContact CG-CG 3.56Å; M129-F200 HydrophobicContact CG-CZ 4.33Å; M129-M517 HydrophobicContact CE-SD 3.67Å
130	R	94.7	Very high	95.6	Very high	139 Å²	139	32.4 Å²	32.4	53%	0.525	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7	169.4	-67.2	162.8	176.3	175.6	-7.2	113.9	L126 W128 T156 G157	L126-R130 WeakPolarHBondContact O-CD 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.33Å; L126-R130 PolarHBondContact O-N 2.97Å; W128-R130 PolarHBondContact O-N 3.18Å; R130-T156 PolarHBondContact NH1-O 3.35Å; R130-G157 PolarHBondContact NH1-O 3.35Å
131	Q	95.1	Very high	95	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.023	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	29.9	179.3	-59	-171.4	-27.3	0	0	111.4	W128 M129 D133 K134 L135 L148 H149	W128-Q131 CarbonylContact O-C 3.54Å; W128-Q131 WeakPolarHBondContact O-CA 3.44Å; W128-Q131 WeakPolarHBondContact O-CB 3.46Å; W128-Q131 PolarHBondContact O-N 3.09Å; M129-Q131 PolarHBondContact O-N 2.9Å; Q131-D133 VanDerWaalsContact C-OD1 3.23Å; Q131-D133 WeakPolarHBondContact CA-OD1 3.26Å; Q131-D133 PolarHBondContact O-N 3.33Å; Q131-K134 HydrophobicContact CB-CB 4.33Å; Q131-K134 WeakPolarHBondContact O-CB 3.31Å; Q131-K134 PolarHBondContact O-N 2.88Å; Q131-K134 VanDerWaalsContact O-N 3.11Å; Q131-L135 PolarHBondContact O-N 3.34Å; Q131-L148 HydrophobicContact CB-CD2 3.8Å; Q131-H149 PolarHBondContact NE2-CD2 3.1Å
132	A	96.7	Very high	94.5	Very high	8 Å²	8	35.4 Å²	35.4	7%	0.066	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-27.3	179.2	0	0	0	0	0	113	E136 F200 M517 L519	A132-E136 WeakPolarHBondContact O-CB 3.5Å; A132-E136 PolarHBondContact O-N 2.93Å; A132-F200 HydrophobicContact CB-CE2 4.1Å; A132-M517 HydrophobicContact CB-CB 4.11Å; A132-L519 HydrophobicContact CB-CD2 4.23Å
133	D	95.9	Very high	93.9	Very high	93 Å²	93	35.8 Å²	35.8	50%	0.497	19%	0.189	S	C	.	.	H	α-helix	trans	-63.5	-45	170.6	67.1	-51.2	0	0	0	112.2	Q131 E136 N137	Q131-D133 VanDerWaalsContact C-OD1 3.23Å; Q131-D133 WeakPolarHBondContact CA-OD1 3.26Å; Q131-D133 PolarHBondContact O-N 3.33Å; D133-E136 PolarHBondContact O-N 3.04Å; D133-N137 PolarHBondContact O-N 3.45Å; D133-N137 PolarHBondContact O-ND2 3.15Å
134	K	95.4	Very high	93.5	Very high	50 Å²	50	39 Å²	39	22%	0.217	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-46.1	174.9	-68.3	-157.9	172.7	-160.2	0	110.6	Q131 E136 N137 F138 A147 H149	Q131-K134 HydrophobicContact CB-CB 4.33Å; Q131-K134 WeakPolarHBondContact O-CB 3.31Å; Q131-K134 PolarHBondContact O-N 2.88Å; Q131-K134 VanDerWaalsContact O-N 3.11Å; K134-E136 VanDerWaalsContact C-N 3.3Å; K134-E136 PolarHBondContact O-N 3.04Å; K134-N137 PolarHBondContact O-N 2.99Å; K134-F138 WeakPolarHBondContact O-CB 3.34Å; K134-F138 PolarHBondContact O-N 3.33Å; K134-A147 WeakPolarHBondContact CD-O 3.33Å; K134-H149 PolarHBondContact NZ-NE2 3.03Å
135	L	96.2	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.3	-43.1	175.3	179	55.2	0	0	0	112.1	Q131 L148 F200 N203 L204 Y207 L519	Q131-L135 PolarHBondContact O-N 3.34Å; L135-L148 HydrophobicContact CB-CD2 4.28Å; L135-L148 HydrophobicContact CD1-CD1 4.45Å; L135-F200 HydrophobicContact CD2-CD2 3.9Å; L135-F200 HydrophobicContact CD2-CE1 4.14Å; L135-F200 HydrophobicContact CD2-CE2 3.36Å; L135-F200 HydrophobicContact CD2-CG 4.46Å; L135-F200 HydrophobicContact CD2-CZ 3.49Å; L135-F200 VanDerWaalsContact CD2-CZ 3.49Å; L135-N203 HydrophobicContact CD1-CB 4.41Å; L135-N203 HydrophobicContact CD2-CB 3.69Å; L135-N203 HydrophobicContact CG-CB 4.05Å; L135-L204 HydrophobicContact CD1-CD2 4.22Å; L135-L204 HydrophobicContact CD2-CD2 4.13Å; L135-Y207 HydrophobicContact CD1-CD2 3.65Å; L135-Y207 HydrophobicContact CD1-CG 3.96Å; L135-L519 HydrophobicContact CD2-CD2 4.39Å; L135-L519 HydrophobicContact CG-CD2 4.44Å
136	E	96	Very high	92.8	Very high	34 Å²	34	45 Å²	45	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-55	177.7	-173.4	56.2	-131.1	0	0	111.5	A132 D133 K134 F138 K139 L519 T520	A132-E136 WeakPolarHBondContact O-CB 3.5Å; A132-E136 PolarHBondContact O-N 2.93Å; D133-E136 PolarHBondContact O-N 3.04Å; K134-E136 VanDerWaalsContact C-N 3.3Å; K134-E136 PolarHBondContact O-N 3.04Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 3.17Å; E136-K139 VanDerWaalsContact CD-CE 3.4Å; E136-K139 WeakPolarHBondContact O-CB 3.48Å; E136-K139 PolarHBondContact O-N 3.43Å; E136-K139 WeakPolarHBondContact OE1-CE 3.37Å; E136-K139 IonicContact OE1-NZ 2.79Å; E136-K139 PolarHBondContact OE1-NZ 3.41Å; E136-K139 VanDerWaalsContact OE2-CE 3.25Å; E136-K139 WeakPolarHBondContact OE2-CE 3.27Å; E136-K139 IonicContact OE2-NZ 2.73Å; E136-K139 PolarHBondContact OE2-NZ 3.32Å; E136-L519 HydrophobicContact CB-CD2 4.3Å; E136-L519 VanDerWaalsContact OE2-CA 3.25Å; E136-L519 WeakPolarHBondContact OE2-CA 3.42Å; E136-T520 VanDerWaalsContact CD-OG1 3.31Å; E136-T520 HydrophobicContact CG-CG2 4.49Å; E136-T520 WeakPolarHBondContact OE1-CB 3.31Å; E136-T520 VanDerWaalsContact OE1-CG2 3.24Å; E136-T520 WeakPolarHBondContact OE1-CG2 3.07Å; E136-T520 PolarHBondContact OE1-OG1 2.93Å; E136-T520 PolarHBondContact OE2-N 3.49Å; E136-T520 PolarHBondContact OE2-OG1 3.39Å
137	N	95.1	Very high	92.6	Very high	74 Å²	74	41.4 Å²	41.4	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-33.2	-178.4	-71.8	-62.3	0	0	0	113.1	D133 K134 K139 T140 A141 H146	D133-N137 PolarHBondContact O-N 3.45Å; D133-N137 PolarHBondContact O-ND2 3.15Å; K134-N137 PolarHBondContact O-N 2.99Å; N137-K139 VanDerWaalsContact C-N 3.28Å; N137-K139 PolarHBondContact O-N 3.34Å; N137-T140 PolarHBondContact O-N 3.46Å; N137-T140 PolarHBondContact O-OG1 2.89Å; N137-T140 VanDerWaalsContact O-OG1 3.08Å; N137-A141 WeakPolarHBondContact O-CB 3.44Å; N137-A141 PolarHBondContact O-N 3.06Å; N137-H146 HydrophobicContact CB-CB 4.12Å
138	F	94.2	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-29.5	178.5	-168.5	-90.4	0	0	0	113	K134 E136 T140 H142 T143 H146 L169 Y207 T214	K134-F138 WeakPolarHBondContact O-CB 3.34Å; K134-F138 PolarHBondContact O-N 3.33Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 3.17Å; F138-T140 PolarHBondContact O-N 3.02Å; F138-T140 VanDerWaalsContact O-N 3.16Å; F138-H142 HydrophobicContact CE1-CB 4.45Å; F138-H142 HydrophobicContact CZ-CB 4.29Å; F138-H142 WeakPolarHBondContact O-CA 3.38Å; F138-H142 PolarHBondContact O-N 3.34Å; F138-T143 WeakPolarHBondContact CD2-O 3.35Å; F138-T143 WeakPolarHBondContact CE2-O 3.45Å; F138-H146 HydrophobicContact CB-CB 4.07Å; F138-H146 HydrophobicContact CD2-CB 4.3Å; F138-L169 HydrophobicContact CE2-CD1 3.64Å; F138-L169 HydrophobicContact CE2-CD2 4.31Å; F138-L169 HydrophobicContact CZ-CD1 3.66Å; F138-Y207 HydrophobicContact CB-CD2 3.79Å; F138-Y207 HydrophobicContact CB-CE2 3.76Å; F138-Y207 HydrophobicContact CD1-CD1 4.48Å; F138-Y207 AromaticContact CD1-CD2 3.2Å; F138-Y207 HydrophobicContact CD1-CD2 3.2Å; F138-Y207 AromaticContact CD1-CE2 3.35Å; F138-Y207 HydrophobicContact CD1-CE2 3.35Å; F138-Y207 AromaticContact CD1-CG 3.82Å; F138-Y207 HydrophobicContact CD1-CG 3.82Å; F138-Y207 HydrophobicContact CD2-CD2 4.49Å; F138-Y207 AromaticContact CD2-CE2 3.85Å; F138-Y207 HydrophobicContact CD2-CE2 3.85Å; F138-Y207 HydrophobicContact CE1-CD1 4.38Å; F138-Y207 AromaticContact CE1-CD2 3.86Å; F138-Y207 HydrophobicContact CE1-CD2 3.86Å; F138-Y207 HydrophobicContact CE1-CE1 4.36Å; F138-Y207 AromaticContact CE1-CE2 3.84Å; F138-Y207 HydrophobicContact CE1-CE2 3.84Å; F138-Y207 HydrophobicContact CE1-CG 4.13Å; F138-Y207 HydrophobicContact CE2-CE2 4.29Å; F138-Y207 AromaticContact CG-CD2 3.58Å; F138-Y207 HydrophobicContact CG-CD2 3.58Å; F138-Y207 AromaticContact CG-CE2 3.35Å; F138-Y207 HydrophobicContact CG-CE2 3.35Å; F138-Y207 HydrophobicContact CZ-CE2 4.28Å; F138-T214 HydrophobicContact CZ-CG2 4.07Å
139	K	90.9	Very high	92.4	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-22	-179.6	-72	-177	-56.1	-176.7	0	113.8	E136 N137 H142 N203 F206 T520 G521 P523 R525	E136-K139 VanDerWaalsContact CD-CE 3.4Å; E136-K139 WeakPolarHBondContact O-CB 3.48Å; E136-K139 PolarHBondContact O-N 3.43Å; E136-K139 WeakPolarHBondContact OE1-CE 3.37Å; E136-K139 IonicContact OE1-NZ 2.79Å; E136-K139 PolarHBondContact OE1-NZ 3.41Å; E136-K139 VanDerWaalsContact OE2-CE 3.25Å; E136-K139 WeakPolarHBondContact OE2-CE 3.27Å; E136-K139 IonicContact OE2-NZ 2.73Å; E136-K139 PolarHBondContact OE2-NZ 3.32Å; N137-K139 VanDerWaalsContact C-N 3.28Å; N137-K139 PolarHBondContact O-N 3.34Å; K139-H142 PolarHBondContact O-CE1 2.78Å; K139-H142 VanDerWaalsContact O-CE1 3.24Å; K139-N203 PolarHBondContact NZ-OD1 3.37Å; K139-F206 HydrophobicContact CD-CB 3.88Å; K139-F206 HydrophobicContact CD-CD2 4.1Å; K139-F206 HydrophobicContact CG-CB 4.16Å; K139-T520 PolarHBondContact NZ-OG1 3.46Å; K139-T520 VanDerWaalsContact NZ-OG1 3.08Å; K139-G521 PolarHBondContact NZ-O 3.24Å; K139-P523 HydrophobicContact CB-CG 3.73Å; K139-P523 HydrophobicContact CD-CG 4.15Å; K139-P523 HydrophobicContact CG-CG 4.38Å; K139-R525 PolarHBondContact O-NH2 2.91Å
140	T	83.8	Confident	92.3	Very high	99 Å²	99	40.5 Å²	40.5	61%	0.607	22%	0.22	S	C	*	.	H	α-helix	trans	-102.3	-53.1	173.2	51	0	0	0	0	110.9	N137 F138 H142	N137-T140 PolarHBondContact O-N 3.46Å; N137-T140 PolarHBondContact O-OG1 2.89Å; N137-T140 VanDerWaalsContact O-OG1 3.08Å; F138-T140 PolarHBondContact O-N 3.02Å; F138-T140 VanDerWaalsContact O-N 3.16Å; T140-H142 PolarHBondContact O-CE1 2.9Å; T140-H142 VanDerWaalsContact O-CE1 3.24Å; T140-H142 PolarHBondContact O-ND1 3.38Å
141	A	86.1	Confident	92.3	Very high	39 Å²	39	35 Å²	35	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-76	-37.3	-171.4	0	0	0	0	0	114.7	N137 T143	N137-A141 WeakPolarHBondContact O-CB 3.44Å; N137-A141 PolarHBondContact O-N 3.06Å; A141-T143 HydrophobicContact CB-CG2 4.16Å; A141-T143 PolarHBondContact O-N 3.15Å; A141-T143 VanDerWaalsContact O-N 3.15Å
142	H	86.1	Confident	92.3	Very high	23 Å²	23	34.7 Å²	34.7	11%	0.106	20%	0.199	C	C	.	.			trans	55.9	19.5	-173.8	-48.1	74.1	0	0	0	115	F138 K139 T140 R210 T214	F138-H142 HydrophobicContact CE1-CB 4.45Å; F138-H142 HydrophobicContact CZ-CB 4.29Å; F138-H142 WeakPolarHBondContact O-CA 3.38Å; F138-H142 PolarHBondContact O-N 3.34Å; K139-H142 PolarHBondContact O-CE1 2.78Å; K139-H142 VanDerWaalsContact O-CE1 3.24Å; T140-H142 PolarHBondContact O-CE1 2.9Å; T140-H142 VanDerWaalsContact O-CE1 3.24Å; T140-H142 PolarHBondContact O-ND1 3.38Å; H142-R210 WeakPolarHBondContact NE2-CD 3.34Å; H142-T214 HydrophobicContact CB-CG2 4.47Å
143	T	85.3	Confident	92.3	Very high	57 Å²	57	36.7 Å²	36.7	35%	0.35	21%	0.208	S	C	.	.			trans	-88.4	159.7	-175.7	55.9	0	0	0	0	113.8	F138 A141 S145 H146	F138-T143 WeakPolarHBondContact CD2-O 3.35Å; F138-T143 WeakPolarHBondContact CE2-O 3.45Å; A141-T143 HydrophobicContact CB-CG2 4.16Å; A141-T143 PolarHBondContact O-N 3.15Å; A141-T143 VanDerWaalsContact O-N 3.15Å; T143-S145 VanDerWaalsContact C-N 3.3Å; T143-S145 PolarHBondContact O-N 2.79Å; T143-S145 PolarHBondContact OG1-OG 2.98Å; T143-H146 PolarHBondContact O-N 2.94Å; T143-H146 PolarHBondContact OG1-CD2 2.93Å; T143-H146 VanDerWaalsContact OG1-CD2 3.23Å
144	T	88.1	Confident	92.2	Very high	72 Å²	72	32.6 Å²	32.6	44%	0.442	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-58.5	-36.3	173.8	51.5	0	0	0	0	113.3	H146 A147 L169 F217 P231	T144-H146 PolarHBondContact O-N 3.16Å; T144-A147 VanDerWaalsContact O-CB 3.24Å; T144-A147 WeakPolarHBondContact O-CB 3.15Å; T144-A147 PolarHBondContact O-N 3.38Å; T144-A147 VanDerWaalsContact O-N 3.07Å; T144-L169 HydrophobicContact CG2-CB 4.26Å; T144-L169 HydrophobicContact CG2-CD2 3.88Å; T144-F217 HydrophobicContact CG2-CE2 3.67Å; T144-F217 HydrophobicContact CG2-CZ 4.18Å; T144-P231 HydrophobicContact CG2-CG 4.46Å
145	S	88.4	Confident	92.2	Very high	70 Å²	70	35.1 Å²	35.1	49%	0.49	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-56.2	-34.3	178	55.9	0	0	0	0	113.8	T143	T143-S145 VanDerWaalsContact C-N 3.3Å; T143-S145 PolarHBondContact O-N 2.79Å; T143-S145 PolarHBondContact OG1-OG 2.98Å
146	H	92.3	Very high	92.1	Very high	58 Å²	58	38 Å²	38	27%	0.269	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-101.8	12.9	-179.1	-57.2	-56.6	0	0	0	112.9	N137 F138 T143 T144	N137-H146 HydrophobicContact CB-CB 4.12Å; F138-H146 HydrophobicContact CB-CB 4.07Å; F138-H146 HydrophobicContact CD2-CB 4.3Å; T143-H146 PolarHBondContact O-N 2.94Å; T143-H146 PolarHBondContact OG1-CD2 2.93Å; T143-H146 VanDerWaalsContact OG1-CD2 3.23Å; T144-H146 PolarHBondContact O-N 3.16Å
147	A	94	Very high	91.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-66.2	140.5	175.9	0	0	0	0	0	112.3	K134 T144 H168 L169 Y207	K134-A147 WeakPolarHBondContact CD-O 3.33Å; T144-A147 VanDerWaalsContact O-CB 3.24Å; T144-A147 WeakPolarHBondContact O-CB 3.15Å; T144-A147 PolarHBondContact O-N 3.38Å; T144-A147 VanDerWaalsContact O-N 3.07Å; A147-H168 HydrophobicContact CB-CB 4.36Å; A147-L169 HydrophobicContact CB-CB 3.76Å; A147-L169 HydrophobicContact CB-CD1 4.07Å; A147-L169 HydrophobicContact CB-CG 4.45Å; A147-Y207 WeakPolarHBondContact CA-OH 3.49Å
148	L	95.4	Very high	91.8	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-65.3	141.4	167.5	-70.5	177	0	0	0	110.3	W128 Q131 L135 L204 Y207	W128-L148 HydrophobicContact CB-CD2 4.44Å; W128-L148 HydrophobicContact CD2-CD1 4.31Å; W128-L148 HydrophobicContact CG-CD1 4.19Å; W128-L148 HydrophobicContact CG-CD2 4.4Å; Q131-L148 HydrophobicContact CB-CD2 3.8Å; L135-L148 HydrophobicContact CB-CD2 4.28Å; L135-L148 HydrophobicContact CD1-CD1 4.45Å; L148-L204 HydrophobicContact CD1-CD2 3.47Å; L148-L204 VanDerWaalsContact CD1-CD2 3.47Å; L148-Y207 HydrophobicContact CB-CE2 4.47Å; L148-Y207 HydrophobicContact CD1-CD2 4.41Å; L148-Y207 HydrophobicContact CD1-CE2 4.2Å; L148-Y207 HydrophobicContact CG-CD2 4.49Å; L148-Y207 HydrophobicContact CG-CE2 3.91Å; L148-Y207 PolarHBondContact N-OH 2.97Å
149	H	94.7	Very high	91.6	Very high	16 Å²	16	40.4 Å²	40.4	7%	0.074	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-74	133.2	-177.4	-74.5	-153.6	0	0	0	111.8	W128 Q131 K134 F152 H168	W128-H149 PolarHBondContact NE1-O 3.46Å; Q131-H149 PolarHBondContact NE2-CD2 3.1Å; K134-H149 PolarHBondContact NZ-NE2 3.03Å; H149-F152 HydrophobicContact CB-CE1 3.81Å; H149-F152 HydrophobicContact CB-CE2 4.27Å; H149-F152 HydrophobicContact CB-CZ 3.65Å; H149-F152 WeakPolarHBondContact O-CE2 2.97Å; H149-F152 VanDerWaalsContact O-CZ 3.28Å; H149-F152 WeakPolarHBondContact O-CZ 3.25Å; H149-H168 AromaticContact CD2-CD2 3.69Å; H149-H168 AromaticContact CD2-CG 3.97Å; H149-H168 AromaticContact CD2-NE2 3.78Å; H149-H168 AromaticContact CE1-CD2 3.89Å; H149-H168 AromaticContact CE1-NE2 3.45Å; H149-H168 PolarHBondContact CE1-NE2 3.43Å; H149-H168 AromaticContact CG-CD2 3.87Å; H149-H168 AromaticContact CG-CE1 3.51Å; H149-H168 AromaticContact CG-ND1 3.9Å; H149-H168 AromaticContact CG-NE2 3.51Å; H149-H168 AromaticContact ND1-CE1 3.58Å; H149-H168 AromaticContact ND1-NE2 3.3Å; H149-H168 PolarHBondContact ND1-NE2 3.42Å; H149-H168 AromaticContact NE2-CD2 3.76Å; H149-H168 AromaticContact NE2-NE2 3.8Å
150	S	93.9	Very high	91.6	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.042	23%	0.234	C	C	.	.	S	Bend	trans	-87.2	-11.6	172.6	48.9	0	0	0	0	114.6	V83 Y166 H168 Q170	V83-S150 WeakPolarHBondContact CB-O 3.4Å; V83-S150 WeakPolarHBondContact CG2-O 3.39Å; V83-S150 PolarHBondContact N-O 2.65Å; S150-Y166 WeakPolarHBondContact OG-CE1 3.33Å; S150-H168 PolarHBondContact N-ND1 3.06Å; S150-H168 PolarHBondContact OG-ND1 3.27Å; S150-Q170 PolarHBondContact OG-NE2 3.43Å
151	K	94.3	Very high	91.4	Very high	22 Å²	22	43.3 Å²	43.3	10%	0.096	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.5	176	64.3	176.6	-172.6	-163.6	0	111.8	V80 G81 L160 C163 Y166	V80-K151 HydrophobicContact CG1-CB 3.92Å; V80-K151 HydrophobicContact CG1-CD 4.38Å; G81-K151 WeakPolarHBondContact O-CA 3.29Å; K151-L160 HydrophobicContact CD-CD1 3.95Å; K151-L160 HydrophobicContact CG-CD1 4.01Å; K151-C163 PolarHBondContact NZ-SG 2.78Å; K151-Y166 HydrophobicContact CD-CD1 3.88Å; K151-Y166 HydrophobicContact CD-CE1 3.5Å; K151-Y166 HydrophobicContact CD-CE2 4.27Å; K151-Y166 HydrophobicContact CD-CG 4.38Å; K151-Y166 HydrophobicContact CG-CD1 4.15Å; K151-Y166 HydrophobicContact CG-CE1 3.64Å
152	F	95.6	Very high	90.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	167.6	-174.3	-66.1	-82.2	0	0	0	111.6	L70 G81 V83 C127 W128 H149 L154	L70-F152 HydrophobicContact CD1-CB 3.94Å; G81-F152 PolarHBondContact N-O 2.92Å; G81-F152 PolarHBondContact O-N 3.31Å; V83-F152 HydrophobicContact CG2-CD2 4.07Å; V83-F152 HydrophobicContact CG2-CE2 3.8Å; C127-F152 HydrophobicContact CB-CD1 3.9Å; C127-F152 HydrophobicContact CB-CD2 3.93Å; C127-F152 HydrophobicContact CB-CE1 3.72Å; C127-F152 HydrophobicContact CB-CE2 3.74Å; C127-F152 HydrophobicContact CB-CG 4.01Å; C127-F152 HydrophobicContact CB-CZ 3.64Å; W128-F152 AromaticContact CD1-CZ 3.65Å; W128-F152 AromaticContact NE1-CE2 3.9Å; W128-F152 AromaticContact NE1-CZ 3.81Å; H149-F152 HydrophobicContact CB-CE1 3.81Å; H149-F152 HydrophobicContact CB-CE2 4.27Å; H149-F152 HydrophobicContact CB-CZ 3.65Å; H149-F152 WeakPolarHBondContact O-CE2 2.97Å; H149-F152 VanDerWaalsContact O-CZ 3.28Å; H149-F152 WeakPolarHBondContact O-CZ 3.25Å; F152-L154 PolarHBondContact O-N 2.75Å
153	N	95.7	Very high	90.2	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.262	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	125.2	165	-176.5	-65.1	0	0	0	110.1	F155 T156 G157 E158 L160	N153-F155 VanDerWaalsContact C-N 3.26Å; N153-F155 PolarHBondContact O-N 3.32Å; N153-F155 PolarHBondContact OD1-N 3.46Å; N153-T156 WeakPolarHBondContact CB-OG1 3.37Å; N153-T156 PolarHBondContact OD1-N 2.8Å; N153-T156 PolarHBondContact OD1-OG1 3.08Å; N153-G157 WeakPolarHBondContact O-CA 3.35Å; N153-G157 PolarHBondContact O-N 3.2Å; N153-E158 PolarHBondContact N-O 3.18Å; N153-L160 HydrophobicContact CB-CD2 4.24Å
154	L	95	Very high	89.4	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.042	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.3	-174.8	-176.1	63	0	0	0	112.5	S65 S68 L70 K79 F152	S65-L154 WeakPolarHBondContact CB-O 3.47Å; S65-L154 PolarHBondContact OG-O 2.98Å; S68-L154 PolarHBondContact OG-O 2.82Å; L70-L154 HydrophobicContact CB-CD1 4.17Å; K79-L154 WeakPolarHBondContact O-CB 3.41Å; K79-L154 PolarHBondContact O-N 2.81Å; F152-L154 PolarHBondContact O-N 2.75Å
155	F	94.4	Very high	88.6	Confident	102 Å²	102	51.8 Å²	51.8	45%	0.447	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-46.9	-176.5	-62.7	-62.4	0	0	0	113.4	T67 A78 N153	T67-F155 WeakPolarHBondContact CB-O 3.34Å; T67-F155 PolarHBondContact OG1-O 2.97Å; A78-F155 WeakPolarHBondContact O-CE2 3.49Å; N153-F155 VanDerWaalsContact C-N 3.26Å; N153-F155 PolarHBondContact O-N 3.32Å; N153-F155 PolarHBondContact OD1-N 3.46Å
156	T	93.8	Very high	88.4	Confident	60 Å²	60	50.3 Å²	50.3	37%	0.368	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-23	-176.3	66.1	0	0	0	0	113.2	R130 N153 E158	R130-T156 PolarHBondContact NH1-O 3.35Å; N153-T156 WeakPolarHBondContact CB-OG1 3.37Å; N153-T156 PolarHBondContact OD1-N 2.8Å; N153-T156 PolarHBondContact OD1-OG1 3.08Å; T156-E158 WeakPolarHBondContact CB-OE2 3.36Å; T156-E158 WeakPolarHBondContact CG2-OE2 3.06Å; T156-E158 PolarHBondContact O-N 3.06Å; T156-E158 WeakPolarHBondContact OG1-CB 3.05Å; T156-E158 WeakPolarHBondContact OG1-CG 3.36Å; T156-E158 PolarHBondContact OG1-N 3.47Å; T156-E158 PolarHBondContact OG1-OE2 3.4Å
157	G	93	Very high	88.1	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.01	26%	0.264	C	S	.	.			trans	66.5	23	-170.3	0	0	0	0	0	112.7	C127 R130 N153	C127-G157 VanDerWaalsContact SG-CA 3.54Å; C127-G157 PolarHBondContact SG-O 2.97Å; C127-G157 VanDerWaalsContact SG-O 3.35Å; R130-G157 PolarHBondContact NH1-O 3.35Å; N153-G157 WeakPolarHBondContact O-CA 3.35Å; N153-G157 PolarHBondContact O-N 3.2Å
158	E	93.2	Very high	88.1	Confident	104 Å²	104	48.4 Å²	48.4	49%	0.486	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-88.6	156.3	177.2	-67.9	165.1	144	0	0	110.9	N153 T156	N153-E158 PolarHBondContact N-O 3.18Å; T156-E158 WeakPolarHBondContact CB-OE2 3.36Å; T156-E158 WeakPolarHBondContact CG2-OE2 3.06Å; T156-E158 PolarHBondContact O-N 3.06Å; T156-E158 WeakPolarHBondContact OG1-CB 3.05Å; T156-E158 WeakPolarHBondContact OG1-CG 3.36Å; T156-E158 PolarHBondContact OG1-N 3.47Å; T156-E158 PolarHBondContact OG1-OE2 3.4Å
159	P	90.8	Very high	88	Confident	54 Å²	54	48.4 Å²	48.4	35%	0.351	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-58.6	138.8	172.9	-20.1	33	0	0	0	111
160	L	89.7	Confident	88.1	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.131	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-71.1	133.7	170.1	-66.1	-178	0	0	0	110.1	V80 K151 N153 D162	V80-L160 HydrophobicContact CG1-CD1 4.04Å; V80-L160 HydrophobicContact CG2-CD1 4.02Å; K151-L160 HydrophobicContact CD-CD1 3.95Å; K151-L160 HydrophobicContact CG-CD1 4.01Å; N153-L160 HydrophobicContact CB-CD2 4.24Å; L160-D162 WeakPolarHBondContact CB-OD1 3.34Å
161	T	79.4	Confident	88.2	Confident	138 Å²	138	47.6 Å²	47.6	85%	0.847	26%	0.262	S	S	*	.	S	Bend	trans	-97	-12.8	-179.1	50.3	0	0	0	0	113.1
162	D	76.3	Confident	88.4	Confident	119 Å²	119	46.6 Å²	46.6	64%	0.636	26%	0.258	S	S	*	.	S	Bend	trans	-97	14.1	-175.4	57.5	-26.3	0	0	0	113.4	L160	L160-D162 WeakPolarHBondContact CB-OD1 3.34Å
163	C	70.7	Confident	88.4	Confident	33 Å²	33	46.7 Å²	46.7	22%	0.223	26%	0.258	C	S	.	.			trans	-142.8	54.3	-175.6	-73	0	0	0	0	113.5	K151 D165	K151-C163 PolarHBondContact NZ-SG 2.78Å; C163-D165 PolarHBondContact O-N 3.24Å
164	P	68.5	Low	88.5	Confident	106 Å²	106	44.5 Å²	44.5	69%	0.688	25%	0.247	S	C	*	.	S	Bend	trans	-63.1	-40.5	-176.9	24.3	-32	0	0	0	113.8
165	D	71	Confident	88.7	Confident	111 Å²	111	44.1 Å²	44.1	59%	0.594	25%	0.245	S	C	*	.	S	Bend	trans	-88.4	-5.9	-172.7	-53.5	-69.3	0	0	0	114	C163	C163-D165 PolarHBondContact O-N 3.24Å
166	Y	84	Confident	88.8	Confident	40 Å²	40	39.3 Å²	39.3	16%	0.157	22%	0.224	C	C	.	.	S	Bend	trans	-64.4	138.4	-177.8	168.6	-98.1	0	0	0	111.9	S150 K151 H168 Q170 E221	S150-Y166 WeakPolarHBondContact OG-CE1 3.33Å; K151-Y166 HydrophobicContact CD-CD1 3.88Å; K151-Y166 HydrophobicContact CD-CE1 3.5Å; K151-Y166 HydrophobicContact CD-CE2 4.27Å; K151-Y166 HydrophobicContact CD-CG 4.38Å; K151-Y166 HydrophobicContact CG-CD1 4.15Å; K151-Y166 HydrophobicContact CG-CE1 3.64Å; Y166-H168 VanDerWaalsContact C-N 3.25Å; Y166-H168 AromaticContact CD1-CD2 3.93Å; Y166-H168 AromaticContact CD1-CE1 3.51Å; Y166-H168 AromaticContact CD1-CG 3.75Å; Y166-H168 AromaticContact CD1-ND1 3.44Å; Y166-H168 WeakPolarHBondContact CD1-ND1 3.38Å; Y166-H168 AromaticContact CD1-NE2 3.79Å; Y166-H168 AromaticContact CE1-CE1 3.75Å; Y166-H168 AromaticContact CE1-ND1 3.49Å; Y166-H168 WeakPolarHBondContact CE1-ND1 3.37Å; Y166-H168 PolarHBondContact O-N 3.03Å; Y166-Q170 PolarHBondContact OH-NE2 2.94Å; Y166-E221 WeakPolarHBondContact CE2-OE2 3.34Å; Y166-E221 PolarHBondContact OH-OE1 2.98Å; Y166-E221 PolarHBondContact OH-OE2 3.01Å
167	G	87.5	Confident	89	Confident	5 Å²	5	36.5 Å²	36.5	5%	0.052	21%	0.206	C	C	.	.			trans	-64.4	69.6	-175.9	0	0	0	0	0	115.4	Q170	G167-Q170 VanDerWaalsContact O-CG 3.32Å; G167-Q170 WeakPolarHBondContact O-CG 3.5Å; G167-Q170 PolarHBondContact O-NE2 3.29Å
168	H	92.9	Very high	89.2	Confident	14 Å²	14	36.4 Å²	36.4	7%	0.065	21%	0.206	C	C	.	.			trans	-72.5	-25	-179.8	-81.9	-53.2	0	0	0	113.8	A147 H149 S150 Y166 Q170	A147-H168 HydrophobicContact CB-CB 4.36Å; H149-H168 AromaticContact CD2-CD2 3.69Å; H149-H168 AromaticContact CD2-CG 3.97Å; H149-H168 AromaticContact CD2-NE2 3.78Å; H149-H168 AromaticContact CE1-CD2 3.89Å; H149-H168 AromaticContact CE1-NE2 3.45Å; H149-H168 PolarHBondContact CE1-NE2 3.43Å; H149-H168 AromaticContact CG-CD2 3.87Å; H149-H168 AromaticContact CG-CE1 3.51Å; H149-H168 AromaticContact CG-ND1 3.9Å; H149-H168 AromaticContact CG-NE2 3.51Å; H149-H168 AromaticContact ND1-CE1 3.58Å; H149-H168 AromaticContact ND1-NE2 3.3Å; H149-H168 PolarHBondContact ND1-NE2 3.42Å; H149-H168 AromaticContact NE2-CD2 3.76Å; H149-H168 AromaticContact NE2-NE2 3.8Å; S150-H168 PolarHBondContact N-ND1 3.06Å; S150-H168 PolarHBondContact OG-ND1 3.27Å; Y166-H168 VanDerWaalsContact C-N 3.25Å; Y166-H168 AromaticContact CD1-CD2 3.93Å; Y166-H168 AromaticContact CD1-CE1 3.51Å; Y166-H168 AromaticContact CD1-CG 3.75Å; Y166-H168 AromaticContact CD1-ND1 3.44Å; Y166-H168 WeakPolarHBondContact CD1-ND1 3.38Å; Y166-H168 AromaticContact CD1-NE2 3.79Å; Y166-H168 AromaticContact CE1-CE1 3.75Å; Y166-H168 AromaticContact CE1-ND1 3.49Å; Y166-H168 WeakPolarHBondContact CE1-ND1 3.37Å; Y166-H168 PolarHBondContact O-N 3.03Å; H168-Q170 VanDerWaalsContact C-N 3.34Å; H168-Q170 PolarHBondContact O-N 2.92Å
169	L	94.7	Very high	89.3	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.016	18%	0.182	C	C	.	.			trans	-70.6	90.6	176.4	-175.2	51.9	0	0	0	110	F138 T144 A147 L171 P215 D216 F217	F138-L169 HydrophobicContact CE2-CD1 3.64Å; F138-L169 HydrophobicContact CE2-CD2 4.31Å; F138-L169 HydrophobicContact CZ-CD1 3.66Å; T144-L169 HydrophobicContact CG2-CB 4.26Å; T144-L169 HydrophobicContact CG2-CD2 3.88Å; A147-L169 HydrophobicContact CB-CB 3.76Å; A147-L169 HydrophobicContact CB-CD1 4.07Å; A147-L169 HydrophobicContact CB-CG 4.45Å; L169-L171 HydrophobicContact CD1-CD2 3.88Å; L169-L171 HydrophobicContact CD1-CG 4.35Å; L169-P215 WeakPolarHBondContact CD2-O 3.44Å; L169-D216 HydrophobicContact CG-CB 4Å; L169-D216 WeakPolarHBondContact O-CB 3.47Å; L169-F217 HydrophobicContact CB-CD2 3.93Å; L169-F217 HydrophobicContact CB-CE2 4.22Å; L169-F217 PolarHBondContact O-N 3.28Å
170	Q	95.6	Very high	89.6	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.019	17%	0.166	C	C	.	.			trans	-131.2	93.9	-176.4	-61.7	178.8	20.9	0	0	108.7	S150 Y166 G167 H168 D172 A173 E221	S150-Q170 PolarHBondContact OG-NE2 3.43Å; Y166-Q170 PolarHBondContact OH-NE2 2.94Å; G167-Q170 VanDerWaalsContact O-CG 3.32Å; G167-Q170 WeakPolarHBondContact O-CG 3.5Å; G167-Q170 PolarHBondContact O-NE2 3.29Å; H168-Q170 VanDerWaalsContact C-N 3.34Å; H168-Q170 PolarHBondContact O-N 2.92Å; Q170-D172 VanDerWaalsContact C-N 3.3Å; Q170-D172 PolarHBondContact O-N 3.07Å; Q170-A173 HydrophobicContact CB-CB 4.14Å; Q170-A173 PolarHBondContact O-N 3.04Å; Q170-E221 VanDerWaalsContact NE2-CD 3.32Å; Q170-E221 PolarHBondContact NE2-OE1 2.94Å; Q170-E221 VanDerWaalsContact NE2-OE1 3.13Å; Q170-E221 PolarHBondContact OE1-OE1 3.16Å
171	L	97	Very high	90	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-74.7	-24.4	-174.8	-58.7	178.8	0	0	0	111.7	L169 A175 Y207 A211 T214 D216 V241	L169-L171 HydrophobicContact CD1-CD2 3.88Å; L169-L171 HydrophobicContact CD1-CG 4.35Å; L171-A175 VanDerWaalsContact O-CB 3.31Å; L171-A175 WeakPolarHBondContact O-CB 3.03Å; L171-A175 PolarHBondContact O-N 2.95Å; L171-Y207 HydrophobicContact CD2-CD1 4.23Å; L171-Y207 HydrophobicContact CD2-CE1 3.69Å; L171-A211 HydrophobicContact CD1-CB 3.65Å; L171-T214 HydrophobicContact CD1-CG2 4.03Å; L171-D216 HydrophobicContact CD1-CB 4.27Å; L171-D216 HydrophobicContact CG-CB 4.05Å; L171-D216 PolarHBondContact N-OD2 3.34Å; L171-V241 HydrophobicContact CB-CG2 4.12Å
172	D	97.1	Very high	90.7	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-60.8	-42.8	172	80.3	-54.3	0	0	0	112.3	R84 Q170 A175 L176 M240	R84-D172 IonicContact CZ-OD1 2.74Å; R84-D172 IonicContact CZ-OD2 3.7Å; R84-D172 IonicContact NE-OD2 2.71Å; R84-D172 PolarHBondContact NE-OD2 3.43Å; R84-D172 VanDerWaalsContact NH2-CG 3.32Å; R84-D172 IonicContact NH2-OD1 3.02Å; R84-D172 PolarHBondContact NH2-OD1 3.31Å; R84-D172 IonicContact NH2-OD2 2.68Å; R84-D172 PolarHBondContact NH2-OD2 2.86Å; Q170-D172 VanDerWaalsContact C-N 3.3Å; Q170-D172 PolarHBondContact O-N 3.07Å; D172-A175 PolarHBondContact O-N 2.98Å; D172-L176 VanDerWaalsContact O-CB 3.25Å; D172-L176 WeakPolarHBondContact O-CB 3.33Å; D172-L176 PolarHBondContact O-N 3.25Å; D172-M240 HydrophobicContact CB-CG 4.39Å; D172-M240 HydrophobicContact CB-SD 4.1Å
173	A	96.8	Very high	91.5	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-67.4	-40.4	-177.3	0	0	0	0	0	112.2	Q170 F177	Q170-A173 HydrophobicContact CB-CB 4.14Å; Q170-A173 PolarHBondContact O-N 3.04Å; A173-F177 PolarHBondContact O-N 2.79Å; A173-F177 VanDerWaalsContact O-N 3.14Å
174	V	97.7	Very high	92.7	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.024	8%	0.078	C	C	.	.	H	α-helix	trans	-68	-42.6	174.2	-175.3	0	0	0	0	110.6	W128 F177 V178 L204 Y207 I208	W128-V174 HydrophobicContact CH2-CB 4.33Å; W128-V174 HydrophobicContact CH2-CG1 4.48Å; W128-V174 HydrophobicContact CH2-CG2 4Å; W128-V174 HydrophobicContact CZ2-CG2 4.03Å; W128-V174 HydrophobicContact CZ3-CG1 4.5Å; V174-F177 PolarHBondContact O-N 2.85Å; V174-V178 HydrophobicContact CG1-CG2 4.4Å; V174-V178 WeakPolarHBondContact O-CB 3.29Å; V174-V178 VanDerWaalsContact O-CG2 3.28Å; V174-V178 WeakPolarHBondContact O-CG2 3.47Å; V174-V178 PolarHBondContact O-N 2.98Å; V174-L204 HydrophobicContact CG1-CD2 4.35Å; V174-Y207 HydrophobicContact CG1-CD1 4.42Å; V174-Y207 HydrophobicContact CG2-CE1 3.99Å; V174-I208 HydrophobicContact CB-CG2 3.96Å; V174-I208 HydrophobicContact CG1-CG2 3.65Å
175	A	98	Very high	93.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.3	-43	176.4	0	0	0	0	0	113.1	L171 D172 V178 F179 M240 V241 A244	L171-A175 VanDerWaalsContact O-CB 3.31Å; L171-A175 WeakPolarHBondContact O-CB 3.03Å; L171-A175 PolarHBondContact O-N 2.95Å; D172-A175 PolarHBondContact O-N 2.98Å; A175-V178 PolarHBondContact O-N 3.29Å; A175-F179 WeakPolarHBondContact O-CD1 3.46Å; A175-F179 PolarHBondContact O-N 2.68Å; A175-M240 HydrophobicContact CB-CB 3.83Å; A175-V241 HydrophobicContact CB-CB 4.48Å; A175-V241 HydrophobicContact CB-CG2 3.87Å; A175-A244 HydrophobicContact CB-CB 3.86Å
176	L	97.3	Very high	94.8	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-57.5	-47.1	175.2	173.2	62.7	0	0	0	111.4	R84 V87 Y88 M91 D172 F179 T180 P302	R84-L176 HydrophobicContact CG-CD2 3.78Å; V87-L176 HydrophobicContact CB-CD2 4.25Å; V87-L176 HydrophobicContact CB-CG 4.19Å; V87-L176 HydrophobicContact CG1-CD1 4.2Å; V87-L176 HydrophobicContact CG1-CD2 4.44Å; V87-L176 HydrophobicContact CG1-CG 3.9Å; Y88-L176 HydrophobicContact CD2-CD2 3.97Å; Y88-L176 HydrophobicContact CE1-CD1 4.49Å; Y88-L176 HydrophobicContact CE2-CD1 4.25Å; Y88-L176 HydrophobicContact CE2-CD2 3.44Å; Y88-L176 VanDerWaalsContact CE2-CD2 3.44Å; M91-L176 HydrophobicContact SD-CD1 4.34Å; D172-L176 VanDerWaalsContact O-CB 3.25Å; D172-L176 WeakPolarHBondContact O-CB 3.33Å; D172-L176 PolarHBondContact O-N 3.25Å; L176-F179 HydrophobicContact CB-CE1 4.48Å; L176-F179 HydrophobicContact CB-CZ 4.48Å; L176-F179 HydrophobicContact CD1-CE1 4.33Å; L176-F179 HydrophobicContact CD1-CE2 4Å; L176-F179 HydrophobicContact CD1-CZ 3.53Å; L176-T180 WeakPolarHBondContact O-CB 3.46Å; L176-T180 PolarHBondContact O-N 3.31Å; L176-T180 VanDerWaalsContact O-N 3.17Å; L176-T180 PolarHBondContact O-OG1 2.85Å; L176-P302 HydrophobicContact CD1-CG 4.31Å
177	F	98.1	Very high	95.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-59.2	-50.7	172.6	174.7	-91.4	0	0	0	111.6	V87 M121 I124 L125 W128 A173 V174 F179 T180 L181 L204	V87-F177 HydrophobicContact CG2-CB 4.3Å; V87-F177 HydrophobicContact CG2-CD2 4.34Å; M121-F177 HydrophobicContact CB-CE2 4.34Å; M121-F177 HydrophobicContact CE-CD2 3.47Å; M121-F177 VanDerWaalsContact CE-CD2 3.47Å; M121-F177 HydrophobicContact CE-CE2 3.56Å; M121-F177 HydrophobicContact CE-CG 4.19Å; M121-F177 HydrophobicContact CE-CZ 4.33Å; M121-F177 WeakPolarHBondContact O-CE2 3.32Å; M121-F177 HydrophobicContact SD-CD2 4.08Å; M121-F177 HydrophobicContact SD-CE2 4.15Å; I124-F177 HydrophobicContact CB-CD2 4.08Å; I124-F177 HydrophobicContact CB-CE2 3.92Å; I124-F177 HydrophobicContact CD1-CD2 4.16Å; I124-F177 HydrophobicContact CG2-CD2 3.66Å; I124-F177 HydrophobicContact CG2-CE2 3.85Å; I124-F177 HydrophobicContact CG2-CG 4.36Å; L125-F177 HydrophobicContact CB-CZ 4.15Å; W128-F177 HydrophobicContact CE3-CD1 4.43Å; W128-F177 HydrophobicContact CH2-CB 3.92Å; W128-F177 HydrophobicContact CH2-CG 4.18Å; W128-F177 HydrophobicContact CZ3-CB 3.83Å; W128-F177 AromaticContact CZ3-CD1 3.65Å; W128-F177 HydrophobicContact CZ3-CD1 3.65Å; W128-F177 HydrophobicContact CZ3-CD2 4.21Å; W128-F177 HydrophobicContact CZ3-CE1 4.26Å; W128-F177 AromaticContact CZ3-CG 3.62Å; W128-F177 HydrophobicContact CZ3-CG 3.62Å; A173-F177 PolarHBondContact O-N 2.79Å; A173-F177 VanDerWaalsContact O-N 3.14Å; V174-F177 PolarHBondContact O-N 2.85Å; F177-F179 PolarHBondContact O-N 2.93Å; F177-T180 PolarHBondContact O-N 3.04Å; F177-L181 HydrophobicContact CE1-CD2 3.97Å; F177-L181 HydrophobicContact CZ-CD2 4.32Å; F177-L181 WeakPolarHBondContact O-CB 3.41Å; F177-L181 PolarHBondContact O-N 3.37Å; F177-L204 HydrophobicContact CD1-CD1 4.47Å; F177-L204 HydrophobicContact CE1-CD1 4.29Å
178	V	97.8	Very high	95.1	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.3	-48.5	-173.8	165.6	0	0	0	0	112.4	V174 A175 V182 L204 A244 I248	V174-V178 HydrophobicContact CG1-CG2 4.4Å; V174-V178 WeakPolarHBondContact O-CB 3.29Å; V174-V178 VanDerWaalsContact O-CG2 3.28Å; V174-V178 WeakPolarHBondContact O-CG2 3.47Å; V174-V178 PolarHBondContact O-N 2.98Å; A175-V178 PolarHBondContact O-N 3.29Å; V178-V182 VanDerWaalsContact O-CG2 3.31Å; V178-V182 WeakPolarHBondContact O-CG2 3.45Å; V178-V182 PolarHBondContact O-N 3.46Å; V178-L204 HydrophobicContact CG2-CB 4.47Å; V178-A244 HydrophobicContact CB-CB 4.15Å; V178-A244 HydrophobicContact CG1-CB 3.9Å; V178-I248 HydrophobicContact CG1-CB 4.12Å; V178-I248 HydrophobicContact CG1-CD1 3.82Å; V178-I248 HydrophobicContact CG1-CG2 4.15Å
179	F	95.1	Very high	95.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-74.7	-29.6	177.4	68.8	-112	0	0	0	113.4	A175 L176 F177 V182 Q183 A244 P302 C303 R439	A175-F179 WeakPolarHBondContact O-CD1 3.46Å; A175-F179 PolarHBondContact O-N 2.68Å; L176-F179 HydrophobicContact CB-CE1 4.48Å; L176-F179 HydrophobicContact CB-CZ 4.48Å; L176-F179 HydrophobicContact CD1-CE1 4.33Å; L176-F179 HydrophobicContact CD1-CE2 4Å; L176-F179 HydrophobicContact CD1-CZ 3.53Å; F177-F179 PolarHBondContact O-N 2.93Å; F179-V182 PolarHBondContact O-N 2.99Å; F179-Q183 PolarHBondContact O-N 3.28Å; F179-A244 HydrophobicContact CD1-CB 4.42Å; F179-P302 HydrophobicContact CE2-CB 3.96Å; F179-P302 HydrophobicContact CE2-CG 4.19Å; F179-P302 HydrophobicContact CZ-CB 4.06Å; F179-P302 HydrophobicContact CZ-CG 3.8Å; F179-C303 HydrophobicContact CE1-CB 4.46Å; F179-C303 WeakPolarHBondContact CE1-SG 3.45Å; F179-C303 WeakPolarHBondContact CZ-SG 3.3Å; F179-R439 VanDerWaalsContact CE2-NH2 3.3Å
180	T	96.7	Very high	95.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-68.6	-40.7	179.6	-59.7	0	0	0	0	110.4	V87 M91 M121 L176 F177 V182 Q183 M184	V87-T180 HydrophobicContact CG1-CG2 3.71Å; M91-T180 HydrophobicContact CG-CG2 3.51Å; M91-T180 HydrophobicContact SD-CG2 4.01Å; M121-T180 HydrophobicContact CE-CG2 4.06Å; M121-T180 HydrophobicContact SD-CG2 4.41Å; L176-T180 WeakPolarHBondContact O-CB 3.46Å; L176-T180 PolarHBondContact O-N 3.31Å; L176-T180 VanDerWaalsContact O-N 3.17Å; L176-T180 PolarHBondContact O-OG1 2.85Å; F177-T180 PolarHBondContact O-N 3.04Å; T180-V182 VanDerWaalsContact C-N 3.29Å; T180-V182 PolarHBondContact O-N 3.46Å; T180-Q183 PolarHBondContact O-N 2.99Å; T180-M184 HydrophobicContact CG2-CE 3.71Å; T180-M184 HydrophobicContact CG2-CG 4.4Å; T180-M184 HydrophobicContact CG2-SD 4.25Å; T180-M184 WeakPolarHBondContact O-CB 3.45Å; T180-M184 WeakPolarHBondContact O-CG 3.49Å; T180-M184 PolarHBondContact O-N 3.3Å
181	L	97.4	Very high	95.1	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-52.4	-48.6	169.6	177.2	64.6	0	0	0	110.9	M121 F177 M184 I185 V191 I192 V201 L253	M121-L181 HydrophobicContact CE-CB 3.99Å; F177-L181 HydrophobicContact CE1-CD2 3.97Å; F177-L181 HydrophobicContact CZ-CD2 4.32Å; F177-L181 WeakPolarHBondContact O-CB 3.41Å; F177-L181 PolarHBondContact O-N 3.37Å; L181-M184 PolarHBondContact O-N 2.97Å; L181-I185 HydrophobicContact CD1-CD1 3.76Å; L181-I185 HydrophobicContact CD1-CG1 4.4Å; L181-I185 HydrophobicContact CG-CD1 3.85Å; L181-I185 WeakPolarHBondContact O-CB 3.48Å; L181-I185 WeakPolarHBondContact O-CD1 3.49Å; L181-I185 VanDerWaalsContact O-CG1 3.26Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 3.23Å; L181-V191 HydrophobicContact CD1-CB 3.69Å; L181-V191 HydrophobicContact CD1-CG1 3.53Å; L181-V191 HydrophobicContact CD1-CG2 4.21Å; L181-I192 HydrophobicContact CD1-CD1 4.29Å; L181-I192 HydrophobicContact CD1-CG1 4.34Å; L181-I192 HydrophobicContact CD2-CD1 4.36Å; L181-V201 HydrophobicContact CD2-CG1 4.23Å; L181-V201 HydrophobicContact CD2-CG2 4.1Å; L181-L253 HydrophobicContact CD2-CD2 4.48Å
182	V	95	Very high	95	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66	-42.8	179.1	175.8	0	0	0	0	112.6	V178 F179 T180 T186 S247 I248 C251 L437	V178-V182 VanDerWaalsContact O-CG2 3.31Å; V178-V182 WeakPolarHBondContact O-CG2 3.45Å; V178-V182 PolarHBondContact O-N 3.46Å; F179-V182 PolarHBondContact O-N 2.99Å; T180-V182 VanDerWaalsContact C-N 3.29Å; T180-V182 PolarHBondContact O-N 3.46Å; V182-T186 VanDerWaalsContact O-CB 3.31Å; V182-T186 WeakPolarHBondContact O-CB 3.17Å; V182-T186 PolarHBondContact O-N 3.48Å; V182-T186 PolarHBondContact O-OG1 2.93Å; V182-S247 WeakPolarHBondContact CG1-O 3.39Å; V182-I248 HydrophobicContact CG2-CB 3.78Å; V182-I248 HydrophobicContact CG2-CD1 4.07Å; V182-I248 HydrophobicContact CG2-CG1 3.68Å; V182-C251 HydrophobicContact CG1-CB 4.27Å; V182-C251 HydrophobicContact CG2-CB 4.42Å; V182-L437 HydrophobicContact CG1-CD1 3.85Å; V182-L437 HydrophobicContact CG1-CD2 4.25Å
183	Q	93	Very high	94.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-45.2	176.3	-78.8	179.9	-36.2	0	0	110.8	W94 F179 T180 T186 G187 I434 D435 P436 L437	W94-Q183 HydrophobicContact CH2-CB 3.93Å; W94-Q183 HydrophobicContact CZ3-CB 4.11Å; F179-Q183 PolarHBondContact O-N 3.28Å; T180-Q183 PolarHBondContact O-N 2.99Å; Q183-T186 PolarHBondContact O-N 2.95Å; Q183-G187 PolarHBondContact O-N 3.42Å; Q183-I434 PolarHBondContact NE2-O 2.74Å; Q183-D435 PolarHBondContact NE2-OD1 3.17Å; Q183-P436 HydrophobicContact CB-CG 4.36Å; Q183-P436 WeakPolarHBondContact O-CG 3.42Å; Q183-L437 HydrophobicContact CG-CD1 3.79Å; Q183-L437 HydrophobicContact CG-CG 4.1Å
184	M	95.1	Very high	94.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-47.1	176.3	-75	-175.2	-178.5	0	0	112.5	A90 M91 W94 A117 M121 T180 L181 T186 G187 G188 L189	A90-M184 HydrophobicContact CB-CE 3.95Å; M91-M184 HydrophobicContact CG-CE 4.34Å; W94-M184 HydrophobicContact CB-CE 3.91Å; W94-M184 HydrophobicContact CD2-CE 4.34Å; W94-M184 HydrophobicContact CD2-CG 3.76Å; W94-M184 HydrophobicContact CE3-CE 4.11Å; W94-M184 HydrophobicContact CE3-CG 3.77Å; W94-M184 HydrophobicContact CG-CE 4.29Å; W94-M184 HydrophobicContact CG-CG 4.2Å; W94-M184 HydrophobicContact CZ3-CG 4.19Å; A117-M184 HydrophobicContact CB-CE 4.23Å; M121-M184 HydrophobicContact CG-CE 4.34Å; M121-M184 HydrophobicContact CG-SD 3.73Å; M121-M184 HydrophobicContact SD-SD 4.49Å; T180-M184 HydrophobicContact CG2-CE 3.71Å; T180-M184 HydrophobicContact CG2-CG 4.4Å; T180-M184 HydrophobicContact CG2-SD 4.25Å; T180-M184 WeakPolarHBondContact O-CB 3.45Å; T180-M184 WeakPolarHBondContact O-CG 3.49Å; T180-M184 PolarHBondContact O-N 3.3Å; L181-M184 PolarHBondContact O-N 2.97Å; M184-T186 VanDerWaalsContact C-N 3.33Å; M184-T186 PolarHBondContact O-N 2.97Å; M184-G187 CarbonylContact O-C 3.57Å; M184-G187 WeakPolarHBondContact O-CA 3.36Å; M184-G187 PolarHBondContact O-N 3.15Å; M184-G187 VanDerWaalsContact O-N 3.09Å; M184-G188 PolarHBondContact O-N 3.01Å; M184-L189 HydrophobicContact CB-CB 4.15Å; M184-L189 HydrophobicContact CB-CD2 3.94Å; M184-L189 HydrophobicContact CG-CD2 3.99Å; M184-L189 WeakPolarHBondContact O-CB 3.2Å; M184-L189 PolarHBondContact O-N 2.88Å; M184-L189 HydrophobicContact SD-CD2 4Å
185	I	94.1	Very high	94.5	Very high	12 Å²	12	21.4 Å²	21.4	6%	0.062	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-43.7	176.3	-69.4	164.9	0	0	0	110.7	L181 G187 G188 L189 V191 I192 L253	L181-I185 HydrophobicContact CD1-CD1 3.76Å; L181-I185 HydrophobicContact CD1-CG1 4.4Å; L181-I185 HydrophobicContact CG-CD1 3.85Å; L181-I185 WeakPolarHBondContact O-CB 3.48Å; L181-I185 WeakPolarHBondContact O-CD1 3.49Å; L181-I185 VanDerWaalsContact O-CG1 3.26Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 3.23Å; I185-G187 PolarHBondContact O-N 3.43Å; I185-G188 PolarHBondContact O-N 3.3Å; I185-L189 WeakPolarHBondContact CA-O 3.48Å; I185-V191 HydrophobicContact CG1-CG2 4.33Å; I185-I192 HydrophobicContact CD1-CG1 4.35Å; I185-L253 HydrophobicContact CD1-CD2 3.95Å
186	T	90.2	Very high	94.4	Very high	43 Å²	43	23 Å²	23	26%	0.264	13%	0.134	S	C	.	.	H	α-helix	trans	-65.6	-27.9	176.5	-50.9	0	0	0	0	112	V182 Q183 M184 G188 P436 L437 F449 R452	V182-T186 VanDerWaalsContact O-CB 3.31Å; V182-T186 WeakPolarHBondContact O-CB 3.17Å; V182-T186 PolarHBondContact O-N 3.48Å; V182-T186 PolarHBondContact O-OG1 2.93Å; Q183-T186 PolarHBondContact O-N 2.95Å; M184-T186 VanDerWaalsContact C-N 3.33Å; M184-T186 PolarHBondContact O-N 2.97Å; T186-G188 VanDerWaalsContact C-N 3.29Å; T186-G188 PolarHBondContact O-N 3.23Å; T186-P436 HydrophobicContact CG2-CB 4.21Å; T186-P436 HydrophobicContact CG2-CG 4.39Å; T186-L437 HydrophobicContact CG2-CD2 4.05Å; T186-F449 HydrophobicContact CG2-CE1 4.36Å; T186-R452 PolarHBondContact OG1-NH2 2.86Å
187	G	89.2	Confident	94.3	Very high	14 Å²	14	23.2 Å²	23.2	14%	0.144	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.2	170.7	0	0	0	0	0	115.7	K101 Q183 M184 I185	K101-G187 PolarHBondContact NZ-O 2.93Å; Q183-G187 PolarHBondContact O-N 3.42Å; M184-G187 CarbonylContact O-C 3.57Å; M184-G187 WeakPolarHBondContact O-CA 3.36Å; M184-G187 PolarHBondContact O-N 3.15Å; M184-G187 VanDerWaalsContact O-N 3.09Å; I185-G187 PolarHBondContact O-N 3.43Å
188	G	88.9	Confident	94.2	Very high	42 Å²	42	24 Å²	24	43%	0.433	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	29.2	-179.7	0	0	0	0	0	115	K114 M184 I185 T186	K114-G188 VanDerWaalsContact CE-O 3.29Å; K114-G188 WeakPolarHBondContact CE-O 3.32Å; K114-G188 PolarHBondContact NZ-O 3.28Å; M184-G188 PolarHBondContact O-N 3.01Å; I185-G188 PolarHBondContact O-N 3.3Å; T186-G188 VanDerWaalsContact C-N 3.29Å; T186-G188 PolarHBondContact O-N 3.23Å
189	L	92.9	Very high	94	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.026	15%	0.145	C	C	.	.			trans	-90.9	136.1	165.8	-82.1	60.8	0	0	0	110	W94 M98 K114 A117 V118 M184 I185 V191	W94-L189 HydrophobicContact CG-CD2 4.24Å; M98-L189 HydrophobicContact CE-CD1 4.44Å; K114-L189 HydrophobicContact CD-CD1 4.38Å; K114-L189 HydrophobicContact CD-CG 4.38Å; K114-L189 HydrophobicContact CG-CD1 3.96Å; K114-L189 HydrophobicContact CG-CD2 4.33Å; K114-L189 HydrophobicContact CG-CG 3.77Å; A117-L189 HydrophobicContact CB-CD2 4.29Å; V118-L189 HydrophobicContact CG2-CB 4.19Å; V118-L189 HydrophobicContact CG2-CD2 4Å; V118-L189 HydrophobicContact CG2-CG 4.08Å; M184-L189 HydrophobicContact CB-CB 4.15Å; M184-L189 HydrophobicContact CB-CD2 3.94Å; M184-L189 HydrophobicContact CG-CD2 3.99Å; M184-L189 WeakPolarHBondContact O-CB 3.2Å; M184-L189 PolarHBondContact O-N 2.88Å; M184-L189 HydrophobicContact SD-CD2 4Å; I185-L189 WeakPolarHBondContact CA-O 3.48Å; L189-V191 HydrophobicContact CB-CG2 4.04Å
190	E	93.5	Very high	94.2	Very high	85 Å²	85	24.8 Å²	24.8	40%	0.397	15%	0.145	S	C	.	.			trans	-98.8	106.3	173.9	-65.7	171.7	154	0	0	106.3	Y193 K257	E190-Y193 HydrophobicContact CB-CE1 3.97Å; E190-Y193 PolarHBondContact O-OH 3.46Å; E190-Y193 VanDerWaalsContact O-OH 3.05Å; E190-K257 WeakPolarHBondContact OE1-CE 3.47Å; E190-K257 IonicContact OE1-NZ 2.78Å; E190-K257 PolarHBondContact OE1-NZ 3.2Å
191	V	95.8	Very high	94.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.145	C	C	.	.			trans	-113.2	-29	-173.7	-171.2	0	0	0	0	111.7	V118 M121 R122 L181 I185 L189	V118-V191 HydrophobicContact CG2-CG2 4.36Å; M121-V191 HydrophobicContact CB-CG1 3.8Å; R122-V191 WeakPolarHBondContact CD-O 3.35Å; R122-V191 HydrophobicContact CG-CG1 3.97Å; R122-V191 WeakPolarHBondContact CG-O 3.44Å; R122-V191 PolarHBondContact NH1-O 3.1Å; L181-V191 HydrophobicContact CD1-CB 3.69Å; L181-V191 HydrophobicContact CD1-CG1 3.53Å; L181-V191 HydrophobicContact CD1-CG2 4.21Å; I185-V191 HydrophobicContact CG1-CG2 4.33Å; L189-V191 HydrophobicContact CB-CG2 4.04Å
192	I	96.2	Very high	94.1	Very high	4 Å²	4	25 Å²	25	2%	0.021	15%	0.146	C	C	.	.			trans	-108.7	135.7	179.8	-55	-59.7	0	0	0	108.4	L125 L181 I185 E197 I198 V201 L253 Y254	L125-I192 HydrophobicContact CD2-CD1 3.49Å; L125-I192 VanDerWaalsContact CD2-CD1 3.49Å; L181-I192 HydrophobicContact CD1-CD1 4.29Å; L181-I192 HydrophobicContact CD1-CG1 4.34Å; L181-I192 HydrophobicContact CD2-CD1 4.36Å; I185-I192 HydrophobicContact CD1-CG1 4.35Å; I192-E197 HydrophobicContact CD1-CB 4.4Å; I192-E197 HydrophobicContact CG2-CB 3.83Å; I192-I198 HydrophobicContact CG2-CG1 3.76Å; I192-V201 HydrophobicContact CD1-CG2 4.23Å; I192-L253 HydrophobicContact CB-CB 4.27Å; I192-L253 HydrophobicContact CG1-CB 4.17Å; I192-L253 HydrophobicContact CG1-CD1 4.48Å; I192-L253 HydrophobicContact CG2-CB 4.28Å; I192-Y254 HydrophobicContact CG2-CD1 4.47Å; I192-Y254 HydrophobicContact CG2-CE1 4.1Å; I192-Y254 WeakPolarHBondContact O-CD1 3.27Å
193	Y	94.3	Very high	94.2	Very high	116 Å²	116	25 Å²	25	46%	0.455	15%	0.146	S	C	.	.			trans	-130	-13.5	-175.7	-60.5	-60.2	0	0	0	114.4	E190 E197	E190-Y193 HydrophobicContact CB-CE1 3.97Å; E190-Y193 PolarHBondContact O-OH 3.46Å; E190-Y193 VanDerWaalsContact O-OH 3.05Å; Y193-E197 PolarHBondContact N-OE2 2.71Å
194	T	94.5	Very high	94.5	Very high	58 Å²	58	25 Å²	25	36%	0.356	15%	0.146	S	C	.	.	S	Bend	trans	-129.4	154.5	-175.6	66	0	0	0	0	113.3	D196 E197 I198 Y254	T194-D196 PolarHBondContact O-N 3.49Å; T194-E197 PolarHBondContact N-OE2 3.49Å; T194-E197 PolarHBondContact O-N 3.02Å; T194-E197 WeakPolarHBondContact OG1-CB 3.35Å; T194-E197 VanDerWaalsContact OG1-CD 3.23Å; T194-E197 WeakPolarHBondContact OG1-CG 3.09Å; T194-E197 PolarHBondContact OG1-N 3.02Å; T194-E197 VanDerWaalsContact OG1-N 3.15Å; T194-E197 PolarHBondContact OG1-OE2 3.23Å; T194-I198 WeakPolarHBondContact O-CG1 3.34Å; T194-I198 PolarHBondContact O-N 3.06Å; T194-Y254 WeakPolarHBondContact CA-OH 3.2Å; T194-Y254 PolarHBondContact O-OH 3.1Å
195	S	91.8	Very high	94.6	Very high	70 Å²	70	25 Å²	25	49%	0.49	15%	0.146	S	C	.	.	H	α-helix	trans	-60.1	-32.1	170.6	52.9	0	0	0	0	112.5	I198 S199 Y254	S195-I198 WeakPolarHBondContact O-CB 3.42Å; S195-I198 PolarHBondContact O-N 3.06Å; S195-S199 PolarHBondContact O-N 2.84Å; S195-S199 PolarHBondContact O-OG 3.46Å; S195-Y254 PolarHBondContact N-OH 3.41Å
196	D	95	Very high	94.7	Very high	32 Å²	32	24.7 Å²	24.7	17%	0.171	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-41.7	-179.5	-60	-31.5	0	0	0	110.6	T194 I198 S199 F200 N514 R516 M517	T194-D196 PolarHBondContact O-N 3.49Å; D196-I198 VanDerWaalsContact C-N 3.33Å; D196-I198 PolarHBondContact O-N 3.13Å; D196-S199 PolarHBondContact O-N 2.81Å; D196-F200 PolarHBondContact O-N 3.39Å; D196-N514 PolarHBondContact OD1-ND2 3.43Å; D196-R516 IonicContact OD1-NH1 3.06Å; D196-R516 WeakPolarHBondContact OD2-CD 3.4Å; D196-R516 IonicContact OD2-CZ 3.73Å; D196-R516 IonicContact OD2-NH1 3.16Å; D196-R516 PolarHBondContact OD2-NH1 3.27Å; D196-M517 HydrophobicContact CB-CE 4.16Å; D196-M517 WeakPolarHBondContact O-CE 3.23Å
197	E	96.4	Very high	94.9	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-35.7	170.5	-70.2	162.6	149.4	0	0	112.8	R122 L125 M129 I192 Y193 T194 F200 V201	R122-E197 IonicContact CZ-OE1 2.65Å; R122-E197 IonicContact NH1-OE1 2.96Å; R122-E197 PolarHBondContact NH1-OE1 3.39Å; R122-E197 IonicContact NH1-OE2 3.53Å; R122-E197 IonicContact NH2-OE1 2.76Å; R122-E197 PolarHBondContact NH2-OE1 3.24Å; L125-E197 HydrophobicContact CD2-CB 4.24Å; L125-E197 HydrophobicContact CD2-CG 4Å; M129-E197 HydrophobicContact CE-CG 3.88Å; M129-E197 HydrophobicContact SD-CG 3.75Å; I192-E197 HydrophobicContact CD1-CB 4.4Å; I192-E197 HydrophobicContact CG2-CB 3.83Å; Y193-E197 PolarHBondContact N-OE2 2.71Å; T194-E197 PolarHBondContact N-OE2 3.49Å; T194-E197 PolarHBondContact O-N 3.02Å; T194-E197 WeakPolarHBondContact OG1-CB 3.35Å; T194-E197 VanDerWaalsContact OG1-CD 3.23Å; T194-E197 WeakPolarHBondContact OG1-CG 3.09Å; T194-E197 PolarHBondContact OG1-N 3.02Å; T194-E197 VanDerWaalsContact OG1-N 3.15Å; T194-E197 PolarHBondContact OG1-OE2 3.23Å; E197-F200 PolarHBondContact O-N 2.88Å; E197-V201 WeakPolarHBondContact O-CG2 3.44Å; E197-V201 PolarHBondContact O-N 2.85Å
198	I	95	Very high	95.3	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.082	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-48.8	174.6	-67.1	166	0	0	0	110.6	I192 T194 S195 D196 F200 V201 Q202 L253 Y254 I264	I192-I198 HydrophobicContact CG2-CG1 3.76Å; T194-I198 WeakPolarHBondContact O-CG1 3.34Å; T194-I198 PolarHBondContact O-N 3.06Å; S195-I198 WeakPolarHBondContact O-CB 3.42Å; S195-I198 PolarHBondContact O-N 3.06Å; D196-I198 VanDerWaalsContact C-N 3.33Å; D196-I198 PolarHBondContact O-N 3.13Å; I198-F200 PolarHBondContact O-N 3.38Å; I198-V201 PolarHBondContact O-N 2.92Å; I198-Q202 WeakPolarHBondContact O-CB 3.41Å; I198-Q202 PolarHBondContact O-N 2.85Å; I198-L253 HydrophobicContact CB-CD1 4.42Å; I198-L253 HydrophobicContact CG1-CB 4.25Å; I198-L253 HydrophobicContact CG1-CD1 4.11Å; I198-L253 HydrophobicContact CG2-CD1 4.37Å; I198-Y254 HydrophobicContact CD1-CD1 4.48Å; I198-Y254 HydrophobicContact CD1-CD2 4.14Å; I198-Y254 HydrophobicContact CD1-CE1 3.88Å; I198-Y254 HydrophobicContact CD1-CE2 3.52Å; I198-I264 HydrophobicContact CG2-CD1 4.3Å
199	S	95.1	Very high	95.5	Very high	18 Å²	18	20.3 Å²	20.3	13%	0.126	11%	0.106	C	C	.	.	H	α-helix	trans	-55.8	-40.6	174.2	-64.6	0	0	0	0	111.6	S195 D196 Q202 N203 N514	S195-S199 PolarHBondContact O-N 2.84Å; S195-S199 PolarHBondContact O-OG 3.46Å; D196-S199 PolarHBondContact O-N 2.81Å; S199-Q202 PolarHBondContact O-N 3.39Å; S199-N203 PolarHBondContact O-N 3.05Å; S199-N203 VanDerWaalsContact O-N 3.1Å; S199-N203 PolarHBondContact O-ND2 2.72Å; S199-N514 PolarHBondContact OG-ND2 2.8Å
200	F	97.5	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.3	-50.6	178.1	-166.7	-92.9	0	0	0	112	L125 W128 M129 A132 L135 D196 E197 I198 Q202 N203 L204 M517 L519	L125-F200 HydrophobicContact CD1-CD1 3.72Å; L125-F200 HydrophobicContact CD1-CE1 4.29Å; W128-F200 HydrophobicContact CB-CE1 3.71Å; W128-F200 HydrophobicContact CB-CZ 3.68Å; W128-F200 WeakPolarHBondContact O-CE2 3.34Å; W128-F200 WeakPolarHBondContact O-CZ 3.42Å; M129-F200 HydrophobicContact CB-CD2 4.37Å; M129-F200 HydrophobicContact CB-CE2 4.42Å; M129-F200 HydrophobicContact CG-CB 4.12Å; M129-F200 HydrophobicContact CG-CD1 3.8Å; M129-F200 HydrophobicContact CG-CD2 3.7Å; M129-F200 HydrophobicContact CG-CE1 4.17Å; M129-F200 HydrophobicContact CG-CE2 4.09Å; M129-F200 HydrophobicContact CG-CG 3.56Å; M129-F200 HydrophobicContact CG-CZ 4.33Å; A132-F200 HydrophobicContact CB-CE2 4.1Å; L135-F200 HydrophobicContact CD2-CD2 3.9Å; L135-F200 HydrophobicContact CD2-CE1 4.14Å; L135-F200 HydrophobicContact CD2-CE2 3.36Å; L135-F200 HydrophobicContact CD2-CG 4.46Å; L135-F200 HydrophobicContact CD2-CZ 3.49Å; L135-F200 VanDerWaalsContact CD2-CZ 3.49Å; D196-F200 PolarHBondContact O-N 3.39Å; E197-F200 PolarHBondContact O-N 2.88Å; I198-F200 PolarHBondContact O-N 3.38Å; F200-Q202 VanDerWaalsContact C-N 3.27Å; F200-Q202 PolarHBondContact O-N 3.17Å; F200-N203 PolarHBondContact O-N 2.78Å; F200-L204 HydrophobicContact CD1-CD1 4.11Å; F200-L204 HydrophobicContact CD1-CG 4.09Å; F200-L204 HydrophobicContact CE1-CD1 3.92Å; F200-L204 HydrophobicContact CE1-CD2 3.78Å; F200-L204 HydrophobicContact CE1-CG 3.82Å; F200-L204 HydrophobicContact CZ-CD2 4.24Å; F200-L204 PolarHBondContact O-N 2.98Å; F200-M517 HydrophobicContact CB-CE 4.14Å; F200-M517 HydrophobicContact CB-SD 4.43Å; F200-M517 HydrophobicContact CD2-SD 4.14Å; F200-L519 HydrophobicContact CD2-CD1 4.15Å
201	V	97.6	Very high	95.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-34.2	178.1	174.9	0	0	0	0	111.8	L125 L181 I192 E197 I198 N203 L204 V205 I248 L253 I264	L125-V201 HydrophobicContact CD1-CG2 4.08Å; L181-V201 HydrophobicContact CD2-CG1 4.23Å; L181-V201 HydrophobicContact CD2-CG2 4.1Å; I192-V201 HydrophobicContact CD1-CG2 4.23Å; E197-V201 WeakPolarHBondContact O-CG2 3.44Å; E197-V201 PolarHBondContact O-N 2.85Å; I198-V201 PolarHBondContact O-N 2.92Å; V201-N203 VanDerWaalsContact C-N 3.31Å; V201-N203 PolarHBondContact O-N 3.07Å; V201-L204 WeakPolarHBondContact O-CB 3.39Å; V201-L204 PolarHBondContact O-N 2.74Å; V201-V205 PolarHBondContact O-N 3.34Å; V201-I248 HydrophobicContact CG1-CD1 3.68Å; V201-L253 HydrophobicContact CB-CD1 3.8Å; V201-L253 HydrophobicContact CG1-CD1 3.76Å; V201-L253 HydrophobicContact CG1-CD2 4.42Å; V201-L253 HydrophobicContact CG2-CD1 4.29Å; V201-I264 HydrophobicContact CG1-CD1 4.45Å
202	Q	96.1	Very high	95.3	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.019	10%	0.095	C	C	.	.	H	α-helix	trans	-65.4	-32.1	172.9	-174.6	59.3	85.3	0	0	112.7	I198 S199 F200 V205 F206 I264 C265 I511	I198-Q202 WeakPolarHBondContact O-CB 3.41Å; I198-Q202 PolarHBondContact O-N 2.85Å; S199-Q202 PolarHBondContact O-N 3.39Å; F200-Q202 VanDerWaalsContact C-N 3.27Å; F200-Q202 PolarHBondContact O-N 3.17Å; Q202-V205 WeakPolarHBondContact O-CB 3.19Å; Q202-V205 PolarHBondContact O-N 2.77Å; Q202-F206 HydrophobicContact CG-CE1 4.42Å; Q202-F206 HydrophobicContact CG-CE2 4.11Å; Q202-F206 HydrophobicContact CG-CZ 3.65Å; Q202-F206 WeakPolarHBondContact O-CE2 3.31Å; Q202-I264 HydrophobicContact CB-CD1 3.71Å; Q202-I264 HydrophobicContact CG-CD1 4.4Å; Q202-C265 PolarHBondContact NE2-O 2.8Å; Q202-C265 VanDerWaalsContact OE1-N 3.1Å; Q202-I511 HydrophobicContact CG-CD1 4.47Å; Q202-I511 HydrophobicContact CG-CG1 4.05Å
203	N	97.3	Very high	95	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-77.3	-30.5	172.8	-77.2	-97.9	0	0	0	112.6	L135 K139 S199 F200 V201 V205 F206 Y207 G512 L519	L135-N203 HydrophobicContact CD1-CB 4.41Å; L135-N203 HydrophobicContact CD2-CB 3.69Å; L135-N203 HydrophobicContact CG-CB 4.05Å; K139-N203 PolarHBondContact NZ-OD1 3.37Å; S199-N203 PolarHBondContact O-N 3.05Å; S199-N203 VanDerWaalsContact O-N 3.1Å; S199-N203 PolarHBondContact O-ND2 2.72Å; F200-N203 PolarHBondContact O-N 2.78Å; V201-N203 VanDerWaalsContact C-N 3.31Å; V201-N203 PolarHBondContact O-N 3.07Å; N203-V205 PolarHBondContact O-N 3.24Å; N203-F206 HydrophobicContact CB-CD2 4.33Å; N203-F206 PolarHBondContact O-N 3.45Å; N203-Y207 PolarHBondContact O-N 3.47Å; N203-G512 PolarHBondContact ND2-O 3.01Å; N203-L519 HydrophobicContact CB-CD1 4.25Å
204	L	97.5	Very high	94.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.9	-31	169.2	-66.3	-179.4	0	0	0	112.1	W128 L135 L148 V174 F177 V178 F200 V201 Y207 I208	W128-L204 HydrophobicContact CE3-CD1 4.17Å; W128-L204 HydrophobicContact CE3-CD2 4.49Å; W128-L204 HydrophobicContact CZ3-CD1 4.44Å; L135-L204 HydrophobicContact CD1-CD2 4.22Å; L135-L204 HydrophobicContact CD2-CD2 4.13Å; L148-L204 HydrophobicContact CD1-CD2 3.47Å; L148-L204 VanDerWaalsContact CD1-CD2 3.47Å; V174-L204 HydrophobicContact CG1-CD2 4.35Å; F177-L204 HydrophobicContact CD1-CD1 4.47Å; F177-L204 HydrophobicContact CE1-CD1 4.29Å; V178-L204 HydrophobicContact CG2-CB 4.47Å; F200-L204 HydrophobicContact CD1-CD1 4.11Å; F200-L204 HydrophobicContact CD1-CG 4.09Å; F200-L204 HydrophobicContact CE1-CD1 3.92Å; F200-L204 HydrophobicContact CE1-CD2 3.78Å; F200-L204 HydrophobicContact CE1-CG 3.82Å; F200-L204 HydrophobicContact CZ-CD2 4.24Å; F200-L204 PolarHBondContact O-N 2.98Å; V201-L204 WeakPolarHBondContact O-CB 3.39Å; V201-L204 PolarHBondContact O-N 2.74Å; L204-Y207 WeakPolarHBondContact O-CB 3.43Å; L204-I208 PolarHBondContact O-N 3.19Å
205	V	97.2	Very high	94.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.4	-47.3	169.9	174.4	0	0	0	0	111	V201 Q202 N203 Y207 I208 E209 L245 I248 I264 V266	V201-V205 PolarHBondContact O-N 3.34Å; Q202-V205 WeakPolarHBondContact O-CB 3.19Å; Q202-V205 PolarHBondContact O-N 2.77Å; N203-V205 PolarHBondContact O-N 3.24Å; V205-Y207 PolarHBondContact O-N 2.96Å; V205-I208 PolarHBondContact O-N 2.85Å; V205-E209 WeakPolarHBondContact O-CB 3.42Å; V205-E209 PolarHBondContact O-N 3.46Å; V205-L245 HydrophobicContact CG1-CD2 3.96Å; V205-I248 HydrophobicContact CG2-CD1 4.39Å; V205-I248 HydrophobicContact CG2-CG2 3.96Å; V205-I264 HydrophobicContact CG2-CG2 3.79Å; V205-V266 HydrophobicContact CG1-CG2 3.98Å
206	F	95.9	Very high	94.8	Very high	5 Å²	5	8.8 Å²	8.8	2%	0.022	5%	0.046	C	C	.	.	H	α-helix	trans	-67.4	-24.4	-179.3	-49.1	-35.2	0	0	0	113.9	K139 Q202 N203 I511 R522 R525	K139-F206 HydrophobicContact CD-CB 3.88Å; K139-F206 HydrophobicContact CD-CD2 4.1Å; K139-F206 HydrophobicContact CG-CB 4.16Å; Q202-F206 HydrophobicContact CG-CE1 4.42Å; Q202-F206 HydrophobicContact CG-CE2 4.11Å; Q202-F206 HydrophobicContact CG-CZ 3.65Å; Q202-F206 WeakPolarHBondContact O-CE2 3.31Å; N203-F206 HydrophobicContact CB-CD2 4.33Å; N203-F206 PolarHBondContact O-N 3.45Å; F206-I511 HydrophobicContact CE1-CG2 4.27Å; F206-I511 WeakPolarHBondContact CE2-O 3.12Å; F206-I511 HydrophobicContact CZ-CG2 3.6Å; F206-R522 HydrophobicContact CD1-CB 4.35Å; F206-R522 HydrophobicContact CD1-CG 4.04Å; F206-R522 HydrophobicContact CD2-CB 4.36Å; F206-R522 HydrophobicContact CE1-CB 3.89Å; F206-R522 HydrophobicContact CE1-CG 3.87Å; F206-R522 HydrophobicContact CE2-CB 3.91Å; F206-R522 HydrophobicContact CZ-CB 3.66Å; F206-R522 HydrophobicContact CZ-CG 4.19Å; F206-R525 PolarHBondContact O-NH1 3.46Å
207	Y	96.1	Very high	94.8	Very high	3 Å²	3	8.2 Å²	8.2	1%	0.012	4%	0.042	C	C	.	.	H	α-helix	trans	-68.6	-50.8	171.2	-177.4	-85.3	0	0	0	111	L135 F138 A147 L148 L171 V174 N203 L204 V205	L135-Y207 HydrophobicContact CD1-CD2 3.65Å; L135-Y207 HydrophobicContact CD1-CG 3.96Å; F138-Y207 HydrophobicContact CB-CD2 3.79Å; F138-Y207 HydrophobicContact CB-CE2 3.76Å; F138-Y207 HydrophobicContact CD1-CD1 4.48Å; F138-Y207 AromaticContact CD1-CD2 3.2Å; F138-Y207 HydrophobicContact CD1-CD2 3.2Å; F138-Y207 AromaticContact CD1-CE2 3.35Å; F138-Y207 HydrophobicContact CD1-CE2 3.35Å; F138-Y207 AromaticContact CD1-CG 3.82Å; F138-Y207 HydrophobicContact CD1-CG 3.82Å; F138-Y207 HydrophobicContact CD2-CD2 4.49Å; F138-Y207 AromaticContact CD2-CE2 3.85Å; F138-Y207 HydrophobicContact CD2-CE2 3.85Å; F138-Y207 HydrophobicContact CE1-CD1 4.38Å; F138-Y207 AromaticContact CE1-CD2 3.86Å; F138-Y207 HydrophobicContact CE1-CD2 3.86Å; F138-Y207 HydrophobicContact CE1-CE1 4.36Å; F138-Y207 AromaticContact CE1-CE2 3.84Å; F138-Y207 HydrophobicContact CE1-CE2 3.84Å; F138-Y207 HydrophobicContact CE1-CG 4.13Å; F138-Y207 HydrophobicContact CE2-CE2 4.29Å; F138-Y207 AromaticContact CG-CD2 3.58Å; F138-Y207 HydrophobicContact CG-CD2 3.58Å; F138-Y207 AromaticContact CG-CE2 3.35Å; F138-Y207 HydrophobicContact CG-CE2 3.35Å; F138-Y207 HydrophobicContact CZ-CE2 4.28Å; A147-Y207 WeakPolarHBondContact CA-OH 3.49Å; L148-Y207 HydrophobicContact CB-CE2 4.47Å; L148-Y207 HydrophobicContact CD1-CD2 4.41Å; L148-Y207 HydrophobicContact CD1-CE2 4.2Å; L148-Y207 HydrophobicContact CG-CD2 4.49Å; L148-Y207 HydrophobicContact CG-CE2 3.91Å; L148-Y207 PolarHBondContact N-OH 2.97Å; L171-Y207 HydrophobicContact CD2-CD1 4.23Å; L171-Y207 HydrophobicContact CD2-CE1 3.69Å; V174-Y207 HydrophobicContact CG1-CD1 4.42Å; V174-Y207 HydrophobicContact CG2-CE1 3.99Å; N203-Y207 PolarHBondContact O-N 3.47Å; L204-Y207 WeakPolarHBondContact O-CB 3.43Å; V205-Y207 PolarHBondContact O-N 2.96Å
208	I	96.5	Very high	94.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-81.8	-24	-178.5	69.4	177.3	0	0	0	114.4	V174 L204 V205 R210 A211 V241 A244 L245	V174-I208 HydrophobicContact CB-CG2 3.96Å; V174-I208 HydrophobicContact CG1-CG2 3.65Å; L204-I208 PolarHBondContact O-N 3.19Å; V205-I208 PolarHBondContact O-N 2.85Å; I208-R210 PolarHBondContact O-N 3.36Å; I208-A211 WeakPolarHBondContact O-CB 3.43Å; I208-A211 PolarHBondContact O-N 2.95Å; I208-V241 HydrophobicContact CB-CG1 3.95Å; I208-V241 HydrophobicContact CB-CG2 4.01Å; I208-V241 HydrophobicContact CD1-CG1 4.31Å; I208-V241 HydrophobicContact CG1-CG1 4.15Å; I208-V241 HydrophobicContact CG2-CG2 4.4Å; I208-V241 VanDerWaalsContact O-CG1 3.27Å; I208-V241 WeakPolarHBondContact O-CG1 3.1Å; I208-A244 HydrophobicContact CD1-CB 3.91Å; I208-L245 HydrophobicContact CD1-CD2 4.15Å; I208-L245 HydrophobicContact CD1-CG 4.43Å; I208-L245 HydrophobicContact CG1-CD2 4.01Å
209	E	94.3	Very high	94.6	Very high	5 Å²	5	7.4 Å²	7.4	2%	0.023	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.2	-169	73.9	174	-144.4	0	0	114.8	V205 L245 A270 N274 R525	V205-E209 WeakPolarHBondContact O-CB 3.42Å; V205-E209 PolarHBondContact O-N 3.46Å; E209-L245 HydrophobicContact CB-CD2 4.29Å; E209-A270 HydrophobicContact CB-CB 4.11Å; E209-N274 PolarHBondContact O-ND2 2.83Å; E209-R525 VanDerWaalsContact CG-NH1 3.28Å; E209-R525 WeakPolarHBondContact OE1-CD 3.35Å; E209-R525 IonicContact OE1-CZ 3.67Å; E209-R525 IonicContact OE1-NE 3.87Å; E209-R525 IonicContact OE1-NH1 3.78Å; E209-R525 PolarHBondContact OE1-NH1 3.32Å
210	R	91.6	Very high	94.5	Very high	42 Å²	42	7.8 Å²	7.8	16%	0.158	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	8.4	177.2	-53.4	-160.6	101	162	3.7	115	H142 I208 Y212 R213 T214	H142-R210 WeakPolarHBondContact NE2-CD 3.34Å; I208-R210 PolarHBondContact O-N 3.36Å; R210-Y212 HydrophobicContact CB-CE1 4.24Å; R210-Y212 HydrophobicContact CG-CE1 4.44Å; R210-Y212 PolarHBondContact O-N 2.84Å; R210-R213 HydrophobicContact CB-CG 4.19Å; R210-R213 WeakPolarHBondContact O-CG 3.44Å; R210-R213 PolarHBondContact O-N 2.98Å; R210-T214 PolarHBondContact O-N 2.81Å; R210-T214 PolarHBondContact O-OG1 3.33Å
211	A	94.1	Very high	94.2	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.008	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-50.8	-32.9	-179.5	0	0	0	0	0	114.1	L171 I208 R213 T214 L233 V238 V241	L171-A211 HydrophobicContact CD1-CB 3.65Å; I208-A211 WeakPolarHBondContact O-CB 3.43Å; I208-A211 PolarHBondContact O-N 2.95Å; A211-R213 PolarHBondContact O-N 3.25Å; A211-T214 PolarHBondContact O-N 3.46Å; A211-L233 WeakPolarHBondContact O-CD1 3.49Å; A211-V238 WeakPolarHBondContact O-CG2 3.12Å; A211-V241 HydrophobicContact CB-CB 3.93Å; A211-V241 HydrophobicContact CB-CG1 3.77Å; A211-V241 HydrophobicContact CB-CG2 3.74Å
212	Y	91.6	Very high	93.8	Very high	7 Å²	7	10.5 Å²	10.5	3%	0.027	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-47.7	-19.1	170.7	77.8	-95.9	0	0	0	115.3	R210 R273 N274 T795	R210-Y212 HydrophobicContact CB-CE1 4.24Å; R210-Y212 HydrophobicContact CG-CE1 4.44Å; R210-Y212 PolarHBondContact O-N 2.84Å; Y212-R273 HydrophobicContact CD1-CB 3.79Å; Y212-R273 HydrophobicContact CD2-CB 3.97Å; Y212-R273 HydrophobicContact CE1-CB 3.96Å; Y212-R273 HydrophobicContact CE2-CB 4.15Å; Y212-R273 HydrophobicContact CE2-CG 4.49Å; Y212-R273 HydrophobicContact CG-CB 3.82Å; Y212-N274 PolarHBondContact N-OD1 3.3Å; Y212-T795 HydrophobicContact CD2-CG2 4.09Å; Y212-T795 VanDerWaalsContact O-CG2 3.27Å; Y212-T795 WeakPolarHBondContact O-CG2 3.4Å
213	R	88.6	Confident	93.6	Very high	6 Å²	6	10.3 Å²	10.3	2%	0.023	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-139.1	22.4	-179.3	67.4	162.4	-143.2	143.6	14.5	113.2	R210 A211 T795 P819 V820	R210-R213 HydrophobicContact CB-CG 4.19Å; R210-R213 WeakPolarHBondContact O-CG 3.44Å; R210-R213 PolarHBondContact O-N 2.98Å; A211-R213 PolarHBondContact O-N 3.25Å; R213-T795 HydrophobicContact CB-CG2 4.06Å; R213-P819 HydrophobicContact CB-CB 3.65Å; R213-P819 HydrophobicContact CB-CG 4.32Å; R213-V820 PolarHBondContact NH1-O 3.24Å
214	T	91	Very high	93.3	Very high	7 Å²	7	11 Å²	11	4%	0.043	5%	0.053	C	C	.	.			trans	-124.5	105.4	-178.6	-61.5	0	0	0	0	109.4	F138 H142 L171 R210 A211	F138-T214 HydrophobicContact CZ-CG2 4.07Å; H142-T214 HydrophobicContact CB-CG2 4.47Å; L171-T214 HydrophobicContact CD1-CG2 4.03Å; R210-T214 PolarHBondContact O-N 2.81Å; R210-T214 PolarHBondContact O-OG1 3.33Å; A211-T214 PolarHBondContact O-N 3.46Å
215	P	92	Very high	92.9	Very high	32 Å²	32	11.6 Å²	11.6	21%	0.208	6%	0.055	C	C	.	.			trans	-56.9	142.1	170.3	-24.5	35.6	0	0	0	111.5	L169 P231 E232	L169-P215 WeakPolarHBondContact CD2-O 3.44Å; P215-P231 HydrophobicContact CB-CB 4.13Å; P215-P231 HydrophobicContact CB-CG 4.32Å; P215-E232 WeakPolarHBondContact CA-O 3.36Å
216	D	94.7	Very high	92.6	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-140.6	175	179.5	83.4	-16.8	0	0	0	111.3	L169 L171 G218 P231 E232 H234 S237	L169-D216 HydrophobicContact CG-CB 4Å; L169-D216 WeakPolarHBondContact O-CB 3.47Å; L171-D216 HydrophobicContact CD1-CB 4.27Å; L171-D216 HydrophobicContact CG-CB 4.05Å; L171-D216 PolarHBondContact N-OD2 3.34Å; D216-G218 PolarHBondContact O-N 3.31Å; D216-G218 WeakPolarHBondContact OD1-CA 3.49Å; D216-G218 PolarHBondContact OD1-N 3.34Å; D216-G218 VanDerWaalsContact OD1-N 3.08Å; D216-P231 WeakPolarHBondContact O-CA 3.46Å; D216-P231 WeakPolarHBondContact O-CB 3.45Å; D216-E232 PolarHBondContact N-O 2.93Å; D216-E232 PolarHBondContact O-N 2.84Å; D216-E232 VanDerWaalsContact O-O 3.11Å; D216-H234 PolarHBondContact O-CE1 2.81Å; D216-H234 VanDerWaalsContact O-CE1 3.28Å; D216-H234 PolarHBondContact O-ND1 2.82Å; D216-H234 IonicContact OD1-CE1 2.84Å; D216-H234 IonicContact OD1-CG 3.88Å; D216-H234 IonicContact OD1-ND1 2.67Å; D216-H234 PolarHBondContact OD1-ND1 3.21Å; D216-S237 PolarHBondContact OD1-OG 2.82Å; D216-S237 VanDerWaalsContact OD2-CB 3.28Å; D216-S237 WeakPolarHBondContact OD2-CB 3.43Å; D216-S237 PolarHBondContact OD2-OG 3.06Å
217	F	94.6	Very high	92.3	Very high	20 Å²	20	13.4 Å²	13.4	9%	0.088	6%	0.063	C	C	.	.			trans	-78.9	-6.6	177.4	-70.1	-83.4	0	0	0	113.3	T144 L169 E221 L222 G223 G229	T144-F217 HydrophobicContact CG2-CE2 3.67Å; T144-F217 HydrophobicContact CG2-CZ 4.18Å; L169-F217 HydrophobicContact CB-CD2 3.93Å; L169-F217 HydrophobicContact CB-CE2 4.22Å; L169-F217 PolarHBondContact O-N 3.28Å; F217-E221 PolarHBondContact O-N 3.13Å; F217-L222 PolarHBondContact O-N 3.48Å; F217-G223 PolarHBondContact O-N 3.26Å; F217-G229 WeakPolarHBondContact CE1-O 3.28Å
218	G	93.2	Very high	92	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	-179.6	-178.7	0	0	0	0	0	114	D216 W220 E221 H234	D216-G218 PolarHBondContact O-N 3.31Å; D216-G218 WeakPolarHBondContact OD1-CA 3.49Å; D216-G218 PolarHBondContact OD1-N 3.34Å; D216-G218 VanDerWaalsContact OD1-N 3.08Å; G218-W220 PolarHBondContact O-N 3.27Å; G218-E221 PolarHBondContact O-N 3.26Å; G218-E221 VanDerWaalsContact O-N 3.14Å; G218-H234 WeakPolarHBondContact CA-ND1 3.34Å; G218-H234 PolarHBondContact N-CE1 3.42Å; G218-H234 PolarHBondContact N-ND1 3.1Å
219	M	94.5	Very high	91.6	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.02	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.1	178.9	-175	175.6	-65.4	0	0	114	M240 P297 W413	M219-M240 HydrophobicContact CE-CE 3.33Å; M219-M240 HydrophobicContact CE-SD 4.41Å; M219-P297 HydrophobicContact CE-CG 3.97Å; M219-P297 HydrophobicContact SD-CG 4.32Å; M219-W413 HydrophobicContact CG-CH2 4.17Å; M219-W413 HydrophobicContact SD-CH2 3.86Å; M219-W413 HydrophobicContact SD-CZ2 4.38Å
220	W	93.2	Very high	91.3	Very high	25 Å²	25	21.1 Å²	21.1	10%	0.095	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-1.1	-175.9	-56.2	135.5	0	0	0	115	G218 L222 D292 R330 F331 F366 W413	G218-W220 PolarHBondContact O-N 3.27Å; W220-L222 HydrophobicContact CB-CD1 4.4Å; W220-L222 HydrophobicContact CB-CG 4.35Å; W220-L222 WeakPolarHBondContact O-CG 3.14Å; W220-L222 PolarHBondContact O-N 3.26Å; W220-D292 VanDerWaalsContact NE1-CG 3.31Å; W220-D292 PolarHBondContact NE1-OD1 3.42Å; W220-D292 PolarHBondContact NE1-OD2 3.02Å; W220-D292 VanDerWaalsContact NE1-OD2 3.13Å; W220-R330 HydrophobicContact CZ2-CB 4.33Å; W220-R330 HydrophobicContact CZ2-CG 4.25Å; W220-F331 AromaticContact CD1-CD1 3.8Å; W220-F331 AromaticContact CD1-CE1 3.76Å; W220-F331 HydrophobicContact CG-CE1 4.31Å; W220-F366 HydrophobicContact CH2-CE1 4.43Å; W220-F366 AromaticContact CH2-CZ 3.73Å; W220-F366 HydrophobicContact CH2-CZ 3.73Å; W220-F366 HydrophobicContact CZ2-CE1 4.45Å; W220-F366 AromaticContact CZ2-CZ 3.74Å; W220-F366 HydrophobicContact CZ2-CZ 3.74Å; W220-W413 HydrophobicContact CH2-CH2 4.15Å; W220-W413 HydrophobicContact CZ3-CH2 4.04Å; W220-W413 HydrophobicContact CZ3-CZ3 4.13Å
221	E	91.3	Very high	91.3	Very high	45 Å²	45	21 Å²	21	21%	0.21	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	18.7	169	-35.1	-169.8	151.8	0	0	113.8	R84 Y166 Q170 F217 G218	R84-E221 IonicContact NH1-OE1 3.79Å; R84-E221 PolarHBondContact NH1-OE1 3.01Å; Y166-E221 WeakPolarHBondContact CE2-OE2 3.34Å; Y166-E221 PolarHBondContact OH-OE1 2.98Å; Y166-E221 PolarHBondContact OH-OE2 3.01Å; Q170-E221 VanDerWaalsContact NE2-CD 3.32Å; Q170-E221 PolarHBondContact NE2-OE1 2.94Å; Q170-E221 VanDerWaalsContact NE2-OE1 3.13Å; Q170-E221 PolarHBondContact OE1-OE1 3.16Å; F217-E221 PolarHBondContact O-N 3.13Å; G218-E221 PolarHBondContact O-N 3.26Å; G218-E221 VanDerWaalsContact O-N 3.14Å
222	L	89.4	Confident	91.2	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.063	12%	0.122	C	C	.	.			trans	-106.1	-22.6	-174.8	-56.3	176.8	0	0	0	114.6	F217 W220 T224 N227 F331	F217-L222 PolarHBondContact O-N 3.48Å; W220-L222 HydrophobicContact CB-CD1 4.4Å; W220-L222 HydrophobicContact CB-CG 4.35Å; W220-L222 WeakPolarHBondContact O-CG 3.14Å; W220-L222 PolarHBondContact O-N 3.26Å; L222-T224 PolarHBondContact O-N 3.26Å; L222-N227 HydrophobicContact CB-CB 4.5Å; L222-N227 HydrophobicContact CD2-CB 4.21Å; L222-F331 HydrophobicContact CD1-CE1 4.01Å; L222-F331 HydrophobicContact CD1-CZ 3.59Å
223	G	90.3	Very high	91.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	68.2	-125.6	-161.5	0	0	0	0	0	110	F217 V230 K289	F217-G223 PolarHBondContact O-N 3.26Å; G223-V230 CarbonylContact C-O 3.58Å; G223-V230 VanDerWaalsContact CA-O 3.3Å; G223-V230 WeakPolarHBondContact CA-O 3.46Å; G223-K289 PolarHBondContact O-NZ 3.46Å
224	T	91.2	Very high	91.6	Very high	16 Å²	16	22.4 Å²	22.4	10%	0.098	13%	0.127	C	C	.	.	S	Bend	trans	-58	157.7	174.9	64.7	0	0	0	0	113.6	L222 Y226 N227 V230 E232	L222-T224 PolarHBondContact O-N 3.26Å; T224-Y226 PolarHBondContact O-N 3.01Å; T224-Y226 VanDerWaalsContact O-N 3.17Å; T224-N227 PolarHBondContact O-N 2.85Å; T224-N227 VanDerWaalsContact O-N 3.09Å; T224-V230 HydrophobicContact CG2-CB 4.41Å; T224-V230 HydrophobicContact CG2-CG1 4.32Å; T224-V230 PolarHBondContact N-O 3.36Å; T224-E232 HydrophobicContact CG2-CB 4.23Å; T224-E232 HydrophobicContact CG2-CG 4.48Å
225	R	90.6	Very high	91.8	Very high	11 Å²	11	22 Å²	22	4%	0.042	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-36.7	174.2	-173.8	177	78.1	-156.9	-2.5	112.7	N227 S288 K289 F331 L332 D966 E971	R225-N227 PolarHBondContact O-N 2.98Å; R225-S288 PolarHBondContact N-OG 3.09Å; R225-K289 HydrophobicContact CB-CG 4.3Å; R225-F331 HydrophobicContact CG-CD2 3.89Å; R225-F331 HydrophobicContact CG-CE2 3.66Å; R225-L332 VanDerWaalsContact CD-O 3.27Å; R225-L332 WeakPolarHBondContact CD-O 3.35Å; R225-D966 PolarHBondContact NH2-O 3.4Å; R225-E971 IonicContact CZ-OE1 3.04Å; R225-E971 IonicContact CZ-OE2 2.68Å; R225-E971 IonicContact NH1-OE1 3.68Å; R225-E971 PolarHBondContact NH1-OE1 3.01Å; R225-E971 IonicContact NH1-OE2 2.66Å; R225-E971 IonicContact NH2-OE1 3.95Å; R225-E971 PolarHBondContact NH2-OE1 3.33Å; R225-E971 IonicContact NH2-OE2 3.08Å; R225-E971 PolarHBondContact NH2-OE2 3.09Å
226	Y	90.1	Very high	92	Very high	30 Å²	30	20.5 Å²	20.5	12%	0.118	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9	-175.1	-38.4	-61.7	0	0	0	112.8	T224 Y348 T353 D966 E971 N973	T224-Y226 PolarHBondContact O-N 3.01Å; T224-Y226 VanDerWaalsContact O-N 3.17Å; Y226-Y348 WeakPolarHBondContact O-CB 3.45Å; Y226-Y348 WeakPolarHBondContact O-CD2 3.43Å; Y226-T353 HydrophobicContact CD1-CG2 4.43Å; Y226-D966 HydrophobicContact CD1-CB 4.35Å; Y226-D966 HydrophobicContact CE1-CB 4.4Å; Y226-D966 WeakPolarHBondContact CE1-O 3.34Å; Y226-E971 PolarHBondContact OH-OE2 3.2Å; Y226-N973 WeakPolarHBondContact CE2-ND2 3.34Å; Y226-N973 PolarHBondContact OH-ND2 3.46Å
227	N	89.3	Confident	92.1	Very high	13 Å²	13	20.5 Å²	20.5	7%	0.07	12%	0.116	C	C	.	.			trans	51.1	68.2	177.3	-175.2	36.7	0	0	0	111.9	L222 T224 R225 E346 Y347 Y348	L222-N227 HydrophobicContact CB-CB 4.5Å; L222-N227 HydrophobicContact CD2-CB 4.21Å; T224-N227 PolarHBondContact O-N 2.85Å; T224-N227 VanDerWaalsContact O-N 3.09Å; R225-N227 PolarHBondContact O-N 2.98Å; N227-E346 PolarHBondContact ND2-O 3.33Å; N227-Y347 CarbonylContact O-C 3.57Å; N227-Y347 WeakPolarHBondContact O-CA 3.14Å; N227-Y347 WeakPolarHBondContact O-CB 3.18Å; N227-Y347 WeakPolarHBondContact O-CD1 3.47Å; N227-Y348 HydrophobicContact CB-CD2 3.56Å; N227-Y348 HydrophobicContact CB-CE2 3.65Å; N227-Y348 HydrophobicContact CB-CG 4.17Å; N227-Y348 PolarHBondContact O-N 3.08Å; N227-Y348 VanDerWaalsContact O-N 3.09Å
228	V	89.3	Confident	92.3	Very high	68 Å²	68	19.7 Å²	19.7	41%	0.412	11%	0.112	S	C	.	.	S	Bend	trans	-127.7	28.9	-175.3	-66.2	0	0	0	0	112.1	V230	V228-V230 HydrophobicContact CG2-CB 4.3Å; V228-V230 HydrophobicContact CG2-CG2 4.13Å; V228-V230 PolarHBondContact O-N 3.14Å
229	G	88.3	Confident	92.4	Very high	24 Å²	24	19.6 Å²	19.6	25%	0.247	11%	0.111	C	C	.	.	S	Bend	trans	71.4	-7.4	-178.9	0	0	0	0	0	115.9	F217 P231 Y347	F217-G229 WeakPolarHBondContact CE1-O 3.28Å; G229-P231 WeakPolarHBondContact O-CD 3.37Å; G229-Y347 VanDerWaalsContact N-CE1 3.27Å
230	V	89.3	Confident	92.5	Very high	78 Å²	78	19.5 Å²	19.5	47%	0.473	11%	0.111	S	C	.	.			trans	-85.5	118.7	-178	178.8	0	0	0	0	111.4	G223 T224 V228	G223-V230 CarbonylContact C-O 3.58Å; G223-V230 VanDerWaalsContact CA-O 3.3Å; G223-V230 WeakPolarHBondContact CA-O 3.46Å; T224-V230 HydrophobicContact CG2-CB 4.41Å; T224-V230 HydrophobicContact CG2-CG1 4.32Å; T224-V230 PolarHBondContact N-O 3.36Å; V228-V230 HydrophobicContact CG2-CB 4.3Å; V228-V230 HydrophobicContact CG2-CG2 4.13Å; V228-V230 PolarHBondContact O-N 3.14Å
231	P	91.5	Very high	92.8	Very high	40 Å²	40	18.3 Å²	18.3	26%	0.26	11%	0.106	S	C	.	.			trans	-71.6	156.1	174.4	31	-35.4	0	0	0	112.1	T144 P215 D216 G229	T144-P231 HydrophobicContact CG2-CG 4.46Å; P215-P231 HydrophobicContact CB-CB 4.13Å; P215-P231 HydrophobicContact CB-CG 4.32Å; D216-P231 WeakPolarHBondContact O-CA 3.46Å; D216-P231 WeakPolarHBondContact O-CB 3.45Å; G229-P231 WeakPolarHBondContact O-CD 3.37Å
232	E	91.5	Very high	93	Very high	12 Å²	12	16.4 Å²	16.4	6%	0.056	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-138.1	166.5	176.1	67.4	177.2	175.9	0	0	111.9	P215 D216 T224 H234 S286 S288 K289	P215-E232 WeakPolarHBondContact CA-O 3.36Å; D216-E232 PolarHBondContact N-O 2.93Å; D216-E232 PolarHBondContact O-N 2.84Å; D216-E232 VanDerWaalsContact O-O 3.11Å; T224-E232 HydrophobicContact CG2-CB 4.23Å; T224-E232 HydrophobicContact CG2-CG 4.48Å; E232-H234 PolarHBondContact O-N 3.04Å; E232-H234 PolarHBondContact O-ND1 2.96Å; E232-H234 VanDerWaalsContact O-ND1 3.14Å; E232-H234 IonicContact OE1-NE2 2.84Å; E232-S286 WeakPolarHBondContact OE1-CB 3.11Å; E232-S286 PolarHBondContact OE1-OG 2.68Å; E232-S286 WeakPolarHBondContact OE2-CB 3.4Å; E232-S286 PolarHBondContact OE2-OG 3.17Å; E232-S286 VanDerWaalsContact OE2-OG 3.09Å; E232-S288 PolarHBondContact OE1-OG 3.14Å; E232-S288 PolarHBondContact OE2-N 2.82Å; E232-S288 PolarHBondContact OE2-OG 3.2Å; E232-K289 IonicContact OE1-NZ 3Å; E232-K289 PolarHBondContact OE1-NZ 3.07Å
233	L	92.3	Very high	93.2	Very high	26 Å²	26	15.9 Å²	15.9	14%	0.136	10%	0.095	C	C	.	.			trans	-80.1	105.7	179.9	-170.4	70	0	0	0	110.6	A211 V238 T277 V799	A211-L233 WeakPolarHBondContact O-CD1 3.49Å; L233-V238 HydrophobicContact CD1-CG2 4.05Å; L233-T277 HydrophobicContact CD2-CG2 4.2Å; L233-V799 HydrophobicContact CD2-CG2 3.81Å
234	H	95.2	Very high	93.5	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.023	10%	0.095	C	C	.	.			trans	-91.4	122.5	-177.4	-72.7	102.5	0	0	0	113.3	D216 G218 E232 S236 S237 V238 E285 K289	D216-H234 PolarHBondContact O-CE1 2.81Å; D216-H234 VanDerWaalsContact O-CE1 3.28Å; D216-H234 PolarHBondContact O-ND1 2.82Å; D216-H234 IonicContact OD1-CE1 2.84Å; D216-H234 IonicContact OD1-CG 3.88Å; D216-H234 IonicContact OD1-ND1 2.67Å; D216-H234 PolarHBondContact OD1-ND1 3.21Å; G218-H234 WeakPolarHBondContact CA-ND1 3.34Å; G218-H234 PolarHBondContact N-CE1 3.42Å; G218-H234 PolarHBondContact N-ND1 3.1Å; E232-H234 PolarHBondContact O-N 3.04Å; E232-H234 PolarHBondContact O-ND1 2.96Å; E232-H234 VanDerWaalsContact O-ND1 3.14Å; E232-H234 IonicContact OE1-NE2 2.84Å; H234-S236 VanDerWaalsContact C-N 3.27Å; H234-S236 PolarHBondContact O-N 2.85Å; H234-S237 PolarHBondContact O-N 3.28Å; H234-V238 WeakPolarHBondContact O-CG2 3.28Å; H234-V238 PolarHBondContact O-N 3.38Å; H234-E285 VanDerWaalsContact CB-OE1 3.3Å; H234-E285 WeakPolarHBondContact CB-OE1 3.21Å; H234-E285 IonicContact CD2-OE1 3.2Å; H234-E285 PolarHBondContact CD2-OE1 3.35Å; H234-E285 IonicContact CG-OE1 3.62Å; H234-K289 PolarHBondContact NE2-NZ 3.27Å
235	A	95.8	Very high	93.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-35.5	173.5	0	0	0	0	0	112	G239 F278 L281 R284 E285 L295	A235-G239 PolarHBondContact O-N 3.02Å; A235-F278 HydrophobicContact CB-CD2 4.4Å; A235-F278 WeakPolarHBondContact O-CD2 3.39Å; A235-F278 VanDerWaalsContact O-CE2 3.3Å; A235-F278 WeakPolarHBondContact O-CE2 3.47Å; A235-L281 HydrophobicContact CB-CB 3.7Å; A235-L281 HydrophobicContact CB-CD1 3.73Å; A235-L281 HydrophobicContact CB-CG 4.35Å; A235-R284 WeakPolarHBondContact CB-O 3.33Å; A235-E285 WeakPolarHBondContact CB-O 3.49Å; A235-E285 PolarHBondContact N-O 3.18Å; A235-E285 PolarHBondContact N-OE1 3.01Å; A235-L295 HydrophobicContact CB-CD2 4.04Å
236	S	96.6	Very high	93.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.1	-51.4	174.2	61.2	0	0	0	0	111.8	H234 G239 M240 E285 S294 T298	H234-S236 VanDerWaalsContact C-N 3.27Å; H234-S236 PolarHBondContact O-N 2.85Å; S236-G239 PolarHBondContact O-N 3.38Å; S236-M240 VanDerWaalsContact O-CG 3.26Å; S236-M240 WeakPolarHBondContact O-CG 3.25Å; S236-M240 PolarHBondContact O-N 3.1Å; S236-E285 WeakPolarHBondContact CB-OE1 3.43Å; S236-E285 PolarHBondContact N-OE1 3.01Å; S236-E285 PolarHBondContact N-OE2 2.92Å; S236-E285 PolarHBondContact OG-OE1 3.3Å; S236-S294 VanDerWaalsContact CB-OG 3.31Å; S236-S294 WeakPolarHBondContact CB-OG 3.46Å; S236-S294 PolarHBondContact OG-OG 2.8Å; S236-T298 WeakPolarHBondContact O-CG2 3.32Å; S236-T298 PolarHBondContact O-OG1 2.58Å; S236-T298 VanDerWaalsContact O-OG1 3.09Å
237	S	97.5	Very high	94	Very high	1 Å²	1	14 Å²	14	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-60.1	-51.7	176.5	-65.6	0	0	0	0	112.6	D216 H234 G239 M240 V241	D216-S237 PolarHBondContact OD1-OG 2.82Å; D216-S237 VanDerWaalsContact OD2-CB 3.28Å; D216-S237 WeakPolarHBondContact OD2-CB 3.43Å; D216-S237 PolarHBondContact OD2-OG 3.06Å; H234-S237 PolarHBondContact O-N 3.28Å; S237-G239 VanDerWaalsContact C-N 3.28Å; S237-G239 PolarHBondContact O-N 2.96Å; S237-M240 PolarHBondContact O-N 3.43Å; S237-V241 WeakPolarHBondContact O-CG2 3.42Å; S237-V241 PolarHBondContact O-N 2.91Å
238	V	97	Very high	94.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-36.4	-179.2	-176.7	0	0	0	0	111.5	A211 L233 H234 V241 K242 N274 T277 F278	A211-V238 WeakPolarHBondContact O-CG2 3.12Å; L233-V238 HydrophobicContact CD1-CG2 4.05Å; H234-V238 WeakPolarHBondContact O-CG2 3.28Å; H234-V238 PolarHBondContact O-N 3.38Å; V238-V241 PolarHBondContact O-N 3.25Å; V238-K242 WeakPolarHBondContact O-CB 3.45Å; V238-K242 PolarHBondContact O-N 2.89Å; V238-N274 HydrophobicContact CG1-CB 4.15Å; V238-N274 WeakPolarHBondContact CG1-O 3.36Å; V238-T277 HydrophobicContact CG1-CG2 4.08Å; V238-T277 HydrophobicContact CG2-CG2 4.44Å; V238-F278 HydrophobicContact CG1-CB 4.15Å
239	G	96.4	Very high	94.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.2	-40.5	175.1	0	0	0	0	0	113.5	A235 S236 S237 K242 A243 F278 A305	A235-G239 PolarHBondContact O-N 3.02Å; S236-G239 PolarHBondContact O-N 3.38Å; S237-G239 VanDerWaalsContact C-N 3.28Å; S237-G239 PolarHBondContact O-N 2.96Å; G239-K242 PolarHBondContact O-N 2.86Å; G239-A243 PolarHBondContact O-N 3.06Å; G239-F278 VanDerWaalsContact CA-CD2 3.47Å; G239-A305 VanDerWaalsContact O-CB 3.22Å; G239-A305 WeakPolarHBondContact O-CB 3.38Å
240	M	97	Very high	94.4	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-63.5	-44.3	173.5	-65.4	-138.9	175.6	0	0	111	D172 A175 M219 S236 S237 A243 A244 P297 T298 C303	D172-M240 HydrophobicContact CB-CG 4.39Å; D172-M240 HydrophobicContact CB-SD 4.1Å; A175-M240 HydrophobicContact CB-CB 3.83Å; M219-M240 HydrophobicContact CE-CE 3.33Å; M219-M240 HydrophobicContact CE-SD 4.41Å; S236-M240 VanDerWaalsContact O-CG 3.26Å; S236-M240 WeakPolarHBondContact O-CG 3.25Å; S236-M240 PolarHBondContact O-N 3.1Å; S237-M240 PolarHBondContact O-N 3.43Å; M240-A243 CarbonylContact O-C 3.6Å; M240-A243 WeakPolarHBondContact O-CB 3.27Å; M240-A243 PolarHBondContact O-N 3.45Å; M240-A243 VanDerWaalsContact O-N 3.16Å; M240-A244 PolarHBondContact O-N 2.87Å; M240-P297 HydrophobicContact CE-CB 4.03Å; M240-P297 HydrophobicContact CE-CG 4.16Å; M240-T298 VanDerWaalsContact CE-OG1 3.29Å; M240-T298 WeakPolarHBondContact CE-OG1 3.31Å; M240-T298 HydrophobicContact CG-CG2 4.32Å; M240-T298 WeakPolarHBondContact CG-OG1 3.28Å; M240-C303 PolarHBondContact SD-SG 3.5Å
241	V	98.1	Very high	94.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.1	-45.9	175.4	167.5	0	0	0	0	111.4	L171 A175 I208 A211 S237 V238 A243 A244 L245	L171-V241 HydrophobicContact CB-CG2 4.12Å; A175-V241 HydrophobicContact CB-CB 4.48Å; A175-V241 HydrophobicContact CB-CG2 3.87Å; I208-V241 HydrophobicContact CB-CG1 3.95Å; I208-V241 HydrophobicContact CB-CG2 4.01Å; I208-V241 HydrophobicContact CD1-CG1 4.31Å; I208-V241 HydrophobicContact CG1-CG1 4.15Å; I208-V241 HydrophobicContact CG2-CG2 4.4Å; I208-V241 VanDerWaalsContact O-CG1 3.27Å; I208-V241 WeakPolarHBondContact O-CG1 3.1Å; A211-V241 HydrophobicContact CB-CB 3.93Å; A211-V241 HydrophobicContact CB-CG1 3.77Å; A211-V241 HydrophobicContact CB-CG2 3.74Å; S237-V241 WeakPolarHBondContact O-CG2 3.42Å; S237-V241 PolarHBondContact O-N 2.91Å; V238-V241 PolarHBondContact O-N 3.25Å; V241-A243 VanDerWaalsContact C-N 3.29Å; V241-A243 PolarHBondContact O-N 3.41Å; V241-A244 WeakPolarHBondContact O-CB 3.41Å; V241-A244 PolarHBondContact O-N 3.12Å; V241-A244 VanDerWaalsContact O-N 3.07Å; V241-L245 HydrophobicContact CG1-CD1 3.83Å; V241-L245 HydrophobicContact CG1-CG 4.13Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.48Å; V241-L245 PolarHBondContact O-N 3.33Å
242	K	96.1	Very high	94.5	Very high	6 Å²	6	4.8 Å²	4.8	3%	0.026	3%	0.026	C	C	.	.	H	α-helix	trans	-52.9	-48.6	173.1	177.9	-86.7	-176.8	179.7	0	110.8	V238 G239 A244 E246 N274 R275 A305	V238-K242 WeakPolarHBondContact O-CB 3.45Å; V238-K242 PolarHBondContact O-N 2.89Å; G239-K242 PolarHBondContact O-N 2.86Å; K242-A244 VanDerWaalsContact C-N 3.33Å; K242-A244 PolarHBondContact O-N 3.03Å; K242-E246 VanDerWaalsContact CE-OE2 3.31Å; K242-E246 WeakPolarHBondContact CE-OE2 3.48Å; K242-E246 IonicContact NZ-OE2 3.63Å; K242-E246 PolarHBondContact NZ-OE2 2.82Å; K242-E246 VanDerWaalsContact O-CB 3.28Å; K242-E246 WeakPolarHBondContact O-CB 3.08Å; K242-E246 PolarHBondContact O-N 2.78Å; K242-N274 HydrophobicContact CB-CB 4.29Å; K242-R275 HydrophobicContact CG-CB 3.91Å; K242-R275 HydrophobicContact CG-CG 4.43Å; K242-A305 HydrophobicContact CD-CB 4.42Å; K242-A305 PolarHBondContact NZ-O 3.4Å
243	A	94	Very high	94.6	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.008	2%	0.023	C	C	.	.	H	α-helix	trans	-65.3	-33.7	178.5	0	0	0	0	0	112.8	G239 M240 V241 S247 C303 A305	G239-A243 PolarHBondContact O-N 3.06Å; M240-A243 CarbonylContact O-C 3.6Å; M240-A243 WeakPolarHBondContact O-CB 3.27Å; M240-A243 PolarHBondContact O-N 3.45Å; M240-A243 VanDerWaalsContact O-N 3.16Å; V241-A243 VanDerWaalsContact C-N 3.29Å; V241-A243 PolarHBondContact O-N 3.41Å; A243-S247 WeakPolarHBondContact O-CB 3.35Å; A243-S247 PolarHBondContact O-N 2.95Å; A243-S247 VanDerWaalsContact O-N 3.1Å; A243-S247 PolarHBondContact O-OG 3.26Å; A243-C303 HydrophobicContact CB-CB 4.09Å; A243-C303 WeakPolarHBondContact CB-O 3.49Å; A243-A305 HydrophobicContact CB-CB 4.29Å
244	A	97.3	Very high	94.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.6	-50.6	175.4	0	0	0	0	0	112.5	A175 V178 F179 I208 M240 V241 K242 E246 S247 I248	A175-A244 HydrophobicContact CB-CB 3.86Å; V178-A244 HydrophobicContact CB-CB 4.15Å; V178-A244 HydrophobicContact CG1-CB 3.9Å; F179-A244 HydrophobicContact CD1-CB 4.42Å; I208-A244 HydrophobicContact CD1-CB 3.91Å; M240-A244 PolarHBondContact O-N 2.87Å; V241-A244 WeakPolarHBondContact O-CB 3.41Å; V241-A244 PolarHBondContact O-N 3.12Å; V241-A244 VanDerWaalsContact O-N 3.07Å; K242-A244 VanDerWaalsContact C-N 3.33Å; K242-A244 PolarHBondContact O-N 3.03Å; A244-E246 VanDerWaalsContact C-N 3.33Å; A244-E246 PolarHBondContact O-N 3.25Å; A244-S247 WeakPolarHBondContact O-CB 3.43Å; A244-S247 PolarHBondContact O-N 2.9Å; A244-I248 WeakPolarHBondContact O-CG2 3.48Å; A244-I248 PolarHBondContact O-N 3Å
245	L	96.6	Very high	94.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-57.5	-44.2	175.3	-66.5	175.8	0	0	0	111.7	V205 I208 E209 V241 S247 N249 V266 H271 N274	V205-L245 HydrophobicContact CG1-CD2 3.96Å; I208-L245 HydrophobicContact CD1-CD2 4.15Å; I208-L245 HydrophobicContact CD1-CG 4.43Å; I208-L245 HydrophobicContact CG1-CD2 4.01Å; E209-L245 HydrophobicContact CB-CD2 4.29Å; V241-L245 HydrophobicContact CG1-CD1 3.83Å; V241-L245 HydrophobicContact CG1-CG 4.13Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.48Å; V241-L245 PolarHBondContact O-N 3.33Å; L245-S247 VanDerWaalsContact C-N 3.27Å; L245-S247 PolarHBondContact O-N 2.93Å; L245-N249 PolarHBondContact O-N 3.12Å; L245-V266 HydrophobicContact CB-CG1 4.05Å; L245-V266 HydrophobicContact CD2-CG1 3.85Å; L245-V266 HydrophobicContact CD2-CG2 4.48Å; L245-V266 HydrophobicContact CG-CG1 4.43Å; L245-H271 HydrophobicContact CB-CB 4.38Å; L245-N274 HydrophobicContact CD1-CB 4.49Å
246	E	93	Very high	93.6	Very high	14 Å²	14	13.6 Å²	13.6	7%	0.065	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-31.1	175.8	-169.4	-175.3	169.8	0	0	112.7	K242 A244 R446 F456	K242-E246 VanDerWaalsContact CE-OE2 3.31Å; K242-E246 WeakPolarHBondContact CE-OE2 3.48Å; K242-E246 IonicContact NZ-OE2 3.63Å; K242-E246 PolarHBondContact NZ-OE2 2.82Å; K242-E246 VanDerWaalsContact O-CB 3.28Å; K242-E246 WeakPolarHBondContact O-CB 3.08Å; K242-E246 PolarHBondContact O-N 2.78Å; A244-E246 VanDerWaalsContact C-N 3.33Å; A244-E246 PolarHBondContact O-N 3.25Å; E246-R446 IonicContact OE1-CZ 2.73Å; E246-R446 IonicContact OE1-NH1 3.18Å; E246-R446 PolarHBondContact OE1-NH1 3.08Å; E246-R446 IonicContact OE1-NH2 3.58Å; E246-R446 PolarHBondContact OE1-NH2 3.04Å; E246-F456 HydrophobicContact CB-CD2 4.37Å; E246-F456 HydrophobicContact CG-CB 3.87Å; E246-F456 HydrophobicContact CG-CD2 4.06Å; E246-F456 HydrophobicContact CG-CG 4.03Å
247	S	92.4	Very high	93	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.028	12%	0.117	C	C	.	.	H	α-helix	trans	-81.2	-44.2	-178.5	-57.2	0	0	0	0	112.8	V182 A243 A244 L245 R439 R452	V182-S247 WeakPolarHBondContact CG1-O 3.39Å; A243-S247 WeakPolarHBondContact O-CB 3.35Å; A243-S247 PolarHBondContact O-N 2.95Å; A243-S247 VanDerWaalsContact O-N 3.1Å; A243-S247 PolarHBondContact O-OG 3.26Å; A244-S247 WeakPolarHBondContact O-CB 3.43Å; A244-S247 PolarHBondContact O-N 2.9Å; L245-S247 VanDerWaalsContact C-N 3.27Å; L245-S247 PolarHBondContact O-N 2.93Å; S247-R439 WeakPolarHBondContact OG-CD 3.44Å; S247-R439 PolarHBondContact OG-NH1 3.24Å; S247-R452 PolarHBondContact O-NH1 2.9Å
248	I	94.2	Very high	92.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-83.9	-22.6	-170.2	-161.8	163.3	0	0	0	113.7	V178 V182 V201 V205 A244 G250 C251 I264 V266	V178-I248 HydrophobicContact CG1-CB 4.12Å; V178-I248 HydrophobicContact CG1-CD1 3.82Å; V178-I248 HydrophobicContact CG1-CG2 4.15Å; V182-I248 HydrophobicContact CG2-CB 3.78Å; V182-I248 HydrophobicContact CG2-CD1 4.07Å; V182-I248 HydrophobicContact CG2-CG1 3.68Å; V201-I248 HydrophobicContact CG1-CD1 3.68Å; V205-I248 HydrophobicContact CG2-CD1 4.39Å; V205-I248 HydrophobicContact CG2-CG2 3.96Å; A244-I248 WeakPolarHBondContact O-CG2 3.48Å; A244-I248 PolarHBondContact O-N 3Å; I248-G250 PolarHBondContact O-N 3.28Å; I248-C251 HydrophobicContact CG1-CB 4.36Å; I248-C251 WeakPolarHBondContact O-CB 3.31Å; I248-C251 PolarHBondContact O-N 3.06Å; I248-I264 HydrophobicContact CD1-CB 4.37Å; I248-I264 HydrophobicContact CD1-CG1 4.23Å; I248-I264 HydrophobicContact CD1-CG2 4.03Å; I248-I264 HydrophobicContact CG1-CB 3.94Å; I248-I264 HydrophobicContact CG1-CG1 4.24Å; I248-I264 HydrophobicContact CG1-CG2 3.78Å; I248-I264 HydrophobicContact CG2-CG2 4.3Å; I248-V266 HydrophobicContact CG2-CG2 3.76Å
249	N	92.4	Very high	91.7	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	128	177.9	-165.6	49	0	0	0	111.7	L245 C251 V266 S454 F456	L245-N249 PolarHBondContact O-N 3.12Å; N249-C251 PolarHBondContact O-N 3.27Å; N249-V266 HydrophobicContact CB-CB 3.84Å; N249-V266 HydrophobicContact CB-CG2 3.75Å; N249-V266 WeakPolarHBondContact OD1-CB 3.35Å; N249-V266 PolarHBondContact OD1-N 3.05Å; N249-S454 PolarHBondContact ND2-O 2.94Å; N249-F456 HydrophobicContact CB-CD2 4.07Å; N249-F456 HydrophobicContact CB-CE2 3.7Å
250	G	88.3	Confident	90.9	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	6.3	-177.9	0	0	0	0	0	114.6	I248 I264 R452 G453	I248-G250 PolarHBondContact O-N 3.28Å; G250-I264 PolarHBondContact N-O 2.92Å; G250-R452 WeakPolarHBondContact O-CA 3.42Å; G250-R452 WeakPolarHBondContact O-CB 3.34Å; G250-R452 WeakPolarHBondContact O-CG 3.33Å; G250-G453 VanDerWaalsContact CA-O 3.3Å; G250-G453 WeakPolarHBondContact CA-O 3.3Å
251	C	90.7	Very high	90.1	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.02	19%	0.192	C	C	.	.			trans	-77.6	126.6	175.5	-171	0	0	0	0	110.3	V182 I248 N249 I263 I264 R452	V182-C251 HydrophobicContact CG1-CB 4.27Å; V182-C251 HydrophobicContact CG2-CB 4.42Å; I248-C251 HydrophobicContact CG1-CB 4.36Å; I248-C251 WeakPolarHBondContact O-CB 3.31Å; I248-C251 PolarHBondContact O-N 3.06Å; N249-C251 PolarHBondContact O-N 3.27Å; C251-I263 WeakPolarHBondContact O-CA 3.19Å; C251-I264 PolarHBondContact O-N 3.05Å; C251-R452 PolarHBondContact SG-NH2 3.03Å
252	N	91.9	Very high	89.7	Confident	19 Å²	19	31.6 Å²	31.6	10%	0.102	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-81	123.4	166.1	-165.3	-54.5	0	0	0	110.1	Y254 G255 G258 T259 S262 I263	N252-Y254 VanDerWaalsContact C-N 3.34Å; N252-Y254 PolarHBondContact O-N 2.93Å; N252-Y254 PolarHBondContact OD1-N 3.23Å; N252-G255 PolarHBondContact O-N 2.69Å; N252-G255 VanDerWaalsContact O-N 3.1Å; N252-G255 PolarHBondContact OD1-O 3.32Å; N252-G258 WeakPolarHBondContact ND2-CA 3.39Å; N252-G258 WeakPolarHBondContact OD1-CA 3.48Å; N252-T259 PolarHBondContact ND2-O 3.12Å; N252-S262 WeakPolarHBondContact CA-O 3.38Å; N252-S262 PolarHBondContact ND2-OG 3.18Å; N252-S262 VanDerWaalsContact ND2-OG 3.1Å; N252-S262 PolarHBondContact OD1-OG 2.95Å; N252-I263 HydrophobicContact CB-CG1 4.16Å
253	L	93	Very high	89.4	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.8	-176.5	-67.9	-177.2	0	0	0	114.3	L181 I185 I192 I198 V201 G255 S262 I264	L181-L253 HydrophobicContact CD2-CD2 4.48Å; I185-L253 HydrophobicContact CD1-CD2 3.95Å; I192-L253 HydrophobicContact CB-CB 4.27Å; I192-L253 HydrophobicContact CG1-CB 4.17Å; I192-L253 HydrophobicContact CG1-CD1 4.48Å; I192-L253 HydrophobicContact CG2-CB 4.28Å; I198-L253 HydrophobicContact CB-CD1 4.42Å; I198-L253 HydrophobicContact CG1-CB 4.25Å; I198-L253 HydrophobicContact CG1-CD1 4.11Å; I198-L253 HydrophobicContact CG2-CD1 4.37Å; V201-L253 HydrophobicContact CB-CD1 3.8Å; V201-L253 HydrophobicContact CG1-CD1 3.76Å; V201-L253 HydrophobicContact CG1-CD2 4.42Å; V201-L253 HydrophobicContact CG2-CD1 4.29Å; L253-G255 VanDerWaalsContact C-N 3.27Å; L253-S262 PolarHBondContact N-O 3.14Å; L253-I264 HydrophobicContact CD1-CD1 3.73Å; L253-I264 HydrophobicContact CD1-CG1 3.66Å; L253-I264 HydrophobicContact CD2-CG1 4.26Å; L253-I264 HydrophobicContact CG-CD1 4.37Å; L253-I264 HydrophobicContact CG-CG1 3.79Å
254	Y	92.6	Very high	89.3	Confident	70 Å²	70	33.5 Å²	33.5	28%	0.275	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	11.9	167.4	-60.2	-40.8	0	0	0	112.4	I192 T194 S195 I198 N252 K257	I192-Y254 HydrophobicContact CG2-CD1 4.47Å; I192-Y254 HydrophobicContact CG2-CE1 4.1Å; I192-Y254 WeakPolarHBondContact O-CD1 3.27Å; T194-Y254 WeakPolarHBondContact CA-OH 3.2Å; T194-Y254 PolarHBondContact O-OH 3.1Å; S195-Y254 PolarHBondContact N-OH 3.41Å; I198-Y254 HydrophobicContact CD1-CD1 4.48Å; I198-Y254 HydrophobicContact CD1-CD2 4.14Å; I198-Y254 HydrophobicContact CD1-CE1 3.88Å; I198-Y254 HydrophobicContact CD1-CE2 3.52Å; N252-Y254 VanDerWaalsContact C-N 3.34Å; N252-Y254 PolarHBondContact O-N 2.93Å; N252-Y254 PolarHBondContact OD1-N 3.23Å; Y254-K257 PolarHBondContact O-N 2.79Å
255	G	87.4	Confident	89	Confident	24 Å²	24	34 Å²	34	25%	0.247	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	60.7	-138.7	-176.6	0	0	0	0	0	112	N252 L253 K257 G258	N252-G255 PolarHBondContact O-N 2.69Å; N252-G255 VanDerWaalsContact O-N 3.1Å; N252-G255 PolarHBondContact OD1-O 3.32Å; L253-G255 VanDerWaalsContact C-N 3.27Å; G255-K257 PolarHBondContact O-N 2.99Å; G255-K257 VanDerWaalsContact O-N 3.16Å; G255-G258 PolarHBondContact O-N 2.96Å
256	S	82.5	Confident	88.8	Confident	132 Å²	132	34.2 Å²	34.2	92%	0.923	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-72.3	-1	-177.9	58.3	0	0	0	0	115.2
257	K	84.5	Confident	88.8	Confident	158 Å²	158	34.5 Å²	34.5	69%	0.687	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-100	-8.1	179.4	-64	176.8	178.4	173.7	0	113.7	E190 Y254 G255	E190-K257 WeakPolarHBondContact OE1-CE 3.47Å; E190-K257 IonicContact OE1-NZ 2.78Å; E190-K257 PolarHBondContact OE1-NZ 3.2Å; Y254-K257 PolarHBondContact O-N 2.79Å; G255-K257 PolarHBondContact O-N 2.99Å; G255-K257 VanDerWaalsContact O-N 3.16Å
258	G	84.1	Confident	88.7	Confident	28 Å²	28	34.5 Å²	34.5	29%	0.289	21%	0.208	S	C	.	.			trans	-84.4	165.6	-170.3	0	0	0	0	0	115.7	N252 G255 S262	N252-G258 WeakPolarHBondContact ND2-CA 3.39Å; N252-G258 WeakPolarHBondContact OD1-CA 3.48Å; G255-G258 PolarHBondContact O-N 2.96Å; G258-S262 WeakPolarHBondContact CA-OG 3.37Å
259	T	82.8	Confident	88.5	Confident	80 Å²	80	34.7 Å²	34.7	49%	0.491	21%	0.209	S	C	.	.			trans	-90.3	168.8	172.2	51.3	0	0	0	0	111.5	N252 S261 S262	N252-T259 PolarHBondContact ND2-O 3.12Å; T259-S261 PolarHBondContact O-N 2.71Å; T259-S261 PolarHBondContact OG1-OG 2.74Å; T259-S262 PolarHBondContact N-OG 3.03Å; T259-S262 PolarHBondContact O-N 3.19Å; T259-S262 PolarHBondContact O-OG 3.03Å
260	S	79.7	Confident	88.5	Confident	49 Å²	49	34.6 Å²	34.6	34%	0.343	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-58.1	-34.1	171.7	41.7	0	0	0	0	113	S262 I263 D656	S260-S262 PolarHBondContact O-N 3.24Å; S260-S262 VanDerWaalsContact O-N 3.1Å; S260-I263 WeakPolarHBondContact O-CB 3.22Å; S260-I263 PolarHBondContact O-N 3.12Å; S260-D656 WeakPolarHBondContact CB-OD2 3.18Å; S260-D656 VanDerWaalsContact OG-CB 3.31Å; S260-D656 WeakPolarHBondContact OG-CB 3.37Å; S260-D656 PolarHBondContact OG-OD2 3.39Å
261	S	81.1	Confident	88.8	Confident	67 Å²	67	34.7 Å²	34.7	47%	0.469	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-66	-4.3	172.1	55.6	0	0	0	0	115.7	T259	T259-S261 PolarHBondContact O-N 2.71Å; T259-S261 PolarHBondContact OG1-OG 2.74Å
262	S	88.8	Confident	88.8	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.007	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-109.6	11.5	172.3	56.5	0	0	0	0	113.5	N252 L253 G258 T259 S260	N252-S262 WeakPolarHBondContact CA-O 3.38Å; N252-S262 PolarHBondContact ND2-OG 3.18Å; N252-S262 VanDerWaalsContact ND2-OG 3.1Å; N252-S262 PolarHBondContact OD1-OG 2.95Å; L253-S262 PolarHBondContact N-O 3.14Å; G258-S262 WeakPolarHBondContact CA-OG 3.37Å; T259-S262 PolarHBondContact N-OG 3.03Å; T259-S262 PolarHBondContact O-N 3.19Å; T259-S262 PolarHBondContact O-OG 3.03Å; S260-S262 PolarHBondContact O-N 3.24Å; S260-S262 VanDerWaalsContact O-N 3.1Å
263	I	89.8	Confident	88.7	Confident	46 Å²	46	37 Å²	37	24%	0.236	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-88.3	135.4	171.2	-59.6	177.4	0	0	0	109.5	C251 N252 S260	C251-I263 WeakPolarHBondContact O-CA 3.19Å; N252-I263 HydrophobicContact CB-CG1 4.16Å; S260-I263 WeakPolarHBondContact O-CB 3.22Å; S260-I263 PolarHBondContact O-N 3.12Å
264	I	92.8	Very high	88.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-90.3	127.5	174.3	-61.9	-65.5	0	0	0	110.5	I198 V201 Q202 V205 I248 G250 C251 L253	I198-I264 HydrophobicContact CG2-CD1 4.3Å; V201-I264 HydrophobicContact CG1-CD1 4.45Å; Q202-I264 HydrophobicContact CB-CD1 3.71Å; Q202-I264 HydrophobicContact CG-CD1 4.4Å; V205-I264 HydrophobicContact CG2-CG2 3.79Å; I248-I264 HydrophobicContact CD1-CB 4.37Å; I248-I264 HydrophobicContact CD1-CG1 4.23Å; I248-I264 HydrophobicContact CD1-CG2 4.03Å; I248-I264 HydrophobicContact CG1-CB 3.94Å; I248-I264 HydrophobicContact CG1-CG1 4.24Å; I248-I264 HydrophobicContact CG1-CG2 3.78Å; I248-I264 HydrophobicContact CG2-CG2 4.3Å; G250-I264 PolarHBondContact N-O 2.92Å; C251-I264 PolarHBondContact O-N 3.05Å; L253-I264 HydrophobicContact CD1-CD1 3.73Å; L253-I264 HydrophobicContact CD1-CG1 3.66Å; L253-I264 HydrophobicContact CD2-CG1 4.26Å; L253-I264 HydrophobicContact CG-CD1 4.37Å; L253-I264 HydrophobicContact CG-CG1 3.79Å
265	C	90.9	Very high	88.7	Confident	12 Å²	12	35.6 Å²	35.6	8%	0.081	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-98	146.9	172.2	-70.7	0	0	0	0	111.3	Q202 F508 I511	Q202-C265 PolarHBondContact NE2-O 2.8Å; Q202-C265 VanDerWaalsContact OE1-N 3.1Å; C265-F508 HydrophobicContact CB-CE1 4.4Å; C265-I511 HydrophobicContact CB-CD1 3.68Å
266	V	93	Very high	88.7	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.024	21%	0.205	C	C	.	.			trans	-126.7	136.6	177	174.8	0	0	0	0	109.7	V205 L245 I248 N249 V268 H271	V205-V266 HydrophobicContact CG1-CG2 3.98Å; L245-V266 HydrophobicContact CB-CG1 4.05Å; L245-V266 HydrophobicContact CD2-CG1 3.85Å; L245-V266 HydrophobicContact CD2-CG2 4.48Å; L245-V266 HydrophobicContact CG-CG1 4.43Å; I248-V266 HydrophobicContact CG2-CG2 3.76Å; N249-V266 HydrophobicContact CB-CB 3.84Å; N249-V266 HydrophobicContact CB-CG2 3.75Å; N249-V266 WeakPolarHBondContact OD1-CB 3.35Å; N249-V266 PolarHBondContact OD1-N 3.05Å; V266-V268 PolarHBondContact O-N 3Å; V266-V268 VanDerWaalsContact O-N 3.13Å; V266-H271 HydrophobicContact CG1-CB 4.49Å
267	D	92	Very high	89.1	Confident	20 Å²	20	29.8 Å²	29.8	11%	0.107	16%	0.164	C	C	.	.			trans	-63.9	110.5	169.5	-175.5	-42.3	0	0	0	109.8	D269 A270 H271 R273 R522	D267-D269 VanDerWaalsContact C-N 3.32Å; D267-D269 PolarHBondContact O-N 2.86Å; D267-D269 WeakPolarHBondContact OD1-CA 3.27Å; D267-D269 WeakPolarHBondContact OD1-CB 3.24Å; D267-D269 PolarHBondContact OD1-N 3Å; D267-D269 VanDerWaalsContact OD1-N 3.1Å; D267-A270 HydrophobicContact CB-CB 3.72Å; D267-A270 WeakPolarHBondContact O-CB 3.38Å; D267-A270 PolarHBondContact O-N 3.3Å; D267-A270 VanDerWaalsContact O-N 3.17Å; D267-A270 PolarHBondContact OD1-N 2.95Å; D267-H271 PolarHBondContact O-N 3.37Å; D267-R273 IonicContact OD1-NH1 3.27Å; D267-R522 IonicContact OD2-CZ 2.69Å; D267-R522 IonicContact OD2-NH2 2.71Å; D267-R522 PolarHBondContact OD2-NH2 2.98Å
268	V	91.2	Very high	89.5	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-71	-30.3	-173.2	178.6	0	0	0	0	111.4	V266 N272 F456 L530 L598	V266-V268 PolarHBondContact O-N 3Å; V266-V268 VanDerWaalsContact O-N 3.13Å; V268-N272 WeakPolarHBondContact O-CB 3.37Å; V268-N272 PolarHBondContact O-N 3.11Å; V268-F456 HydrophobicContact CG1-CE1 4.12Å; V268-F456 HydrophobicContact CG1-CZ 4.22Å; V268-F456 HydrophobicContact CG2-CZ 4.24Å; V268-L530 HydrophobicContact CB-CB 4.42Å; V268-L530 HydrophobicContact CG1-CB 4Å; V268-L530 HydrophobicContact CG1-CD1 4.25Å; V268-L598 HydrophobicContact CG1-CD2 4.27Å; V268-L598 HydrophobicContact CG2-CD1 4.28Å; V268-L598 HydrophobicContact CG2-CD2 4.13Å
269	D	90	Very high	89.9	Confident	4 Å²	4	23.8 Å²	23.8	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-69.5	-38	171.1	-63.1	-86.5	0	0	0	110.7	D267 N272 R273 G528 A529 L530 G531	D267-D269 VanDerWaalsContact C-N 3.32Å; D267-D269 PolarHBondContact O-N 2.86Å; D267-D269 WeakPolarHBondContact OD1-CA 3.27Å; D267-D269 WeakPolarHBondContact OD1-CB 3.24Å; D267-D269 PolarHBondContact OD1-N 3Å; D267-D269 VanDerWaalsContact OD1-N 3.1Å; D269-N272 PolarHBondContact O-N 2.94Å; D269-R273 WeakPolarHBondContact O-CG 3.45Å; D269-R273 PolarHBondContact O-N 3.29Å; D269-G528 VanDerWaalsContact OD2-C 3.24Å; D269-G528 VanDerWaalsContact OD2-CA 3.26Å; D269-G528 WeakPolarHBondContact OD2-CA 3.49Å; D269-G528 PolarHBondContact OD2-N 2.86Å; D269-A529 PolarHBondContact OD1-N 3.22Å; D269-L530 WeakPolarHBondContact OD1-CB 3.24Å; D269-L530 PolarHBondContact OD1-N 3.14Å; D269-L530 PolarHBondContact OD2-N 3.14Å; D269-G531 PolarHBondContact OD2-N 3.45Å
270	A	91.5	Very high	90.2	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-45.3	171.9	0	0	0	0	0	112	E209 D267 N272 R273 N274	E209-A270 HydrophobicContact CB-CB 4.11Å; D267-A270 HydrophobicContact CB-CB 3.72Å; D267-A270 WeakPolarHBondContact O-CB 3.38Å; D267-A270 PolarHBondContact O-N 3.3Å; D267-A270 VanDerWaalsContact O-N 3.17Å; D267-A270 PolarHBondContact OD1-N 2.95Å; A270-N272 VanDerWaalsContact C-N 3.31Å; A270-N272 PolarHBondContact O-N 3.37Å; A270-R273 PolarHBondContact O-N 3.38Å; A270-N274 PolarHBondContact O-N 2.89Å; A270-N274 PolarHBondContact O-ND2 3.24Å
271	H	93.9	Very high	90.7	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.023	10%	0.103	C	C	.	.	H	α-helix	trans	-55.2	-45.9	171.1	164.7	-103.3	0	0	0	111.6	L245 V266 D267 R273 N274 R275 F456	L245-H271 HydrophobicContact CB-CB 4.38Å; V266-H271 HydrophobicContact CG1-CB 4.49Å; D267-H271 PolarHBondContact O-N 3.37Å; H271-R273 PolarHBondContact O-N 2.68Å; H271-N274 PolarHBondContact O-N 2.58Å; H271-R275 WeakPolarHBondContact O-CB 3.05Å; H271-R275 PolarHBondContact O-N 3.03Å; H271-F456 HydrophobicContact CB-CZ 4.1Å; H271-F456 AromaticContact CE1-CE1 3.7Å; H271-F456 AromaticContact CE1-CZ 3.99Å; H271-F456 AromaticContact CG-CZ 3.72Å; H271-F456 AromaticContact ND1-CE1 3.36Å; H271-F456 WeakPolarHBondContact ND1-CE1 3.24Å; H271-F456 AromaticContact ND1-CZ 3.4Å; H271-F456 WeakPolarHBondContact ND1-CZ 3.3Å
272	N	90.4	Very high	91.2	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.032	8%	0.084	C	C	.	.	H	α-helix	trans	-67	-32.4	177.9	179.7	62	0	0	0	113.2	V268 D269 A270 R275 T276 L530 F591 R595	V268-N272 WeakPolarHBondContact O-CB 3.37Å; V268-N272 PolarHBondContact O-N 3.11Å; D269-N272 PolarHBondContact O-N 2.94Å; A270-N272 VanDerWaalsContact C-N 3.31Å; A270-N272 PolarHBondContact O-N 3.37Å; N272-R275 PolarHBondContact O-N 2.97Å; N272-T276 WeakPolarHBondContact O-CB 3.33Å; N272-T276 PolarHBondContact O-N 2.82Å; N272-T276 PolarHBondContact O-OG1 2.77Å; N272-L530 HydrophobicContact CB-CD1 3.77Å; N272-F591 WeakPolarHBondContact ND2-CE2 3.45Å; N272-F591 VanDerWaalsContact ND2-CZ 3.26Å; N272-F591 WeakPolarHBondContact ND2-CZ 3.27Å; N272-R595 WeakPolarHBondContact OD1-CD 3.16Å; N272-R595 PolarHBondContact OD1-NH1 3.06Å
273	R	90	Very high	91.2	Very high	64 Å²	64	18.9 Å²	18.9	24%	0.242	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-47	172.2	-69.6	164.3	-166.1	127.1	-8.2	111.3	Y212 D267 D269 A270 H271 T276 T277	Y212-R273 HydrophobicContact CD1-CB 3.79Å; Y212-R273 HydrophobicContact CD2-CB 3.97Å; Y212-R273 HydrophobicContact CE1-CB 3.96Å; Y212-R273 HydrophobicContact CE2-CB 4.15Å; Y212-R273 HydrophobicContact CE2-CG 4.49Å; Y212-R273 HydrophobicContact CG-CB 3.82Å; D267-R273 IonicContact OD1-NH1 3.27Å; D269-R273 WeakPolarHBondContact O-CG 3.45Å; D269-R273 PolarHBondContact O-N 3.29Å; A270-R273 PolarHBondContact O-N 3.38Å; H271-R273 PolarHBondContact O-N 2.68Å; R273-T276 PolarHBondContact O-N 3.35Å; R273-T277 PolarHBondContact O-N 2.85Å; R273-T277 PolarHBondContact O-OG1 2.74Å
274	N	94.1	Very high	91.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-48.1	173.4	-71.1	-80	0	0	0	111.7	E209 Y212 V238 K242 L245 A270 H271 T276 T277 F278	E209-N274 PolarHBondContact O-ND2 2.83Å; Y212-N274 PolarHBondContact N-OD1 3.3Å; V238-N274 HydrophobicContact CG1-CB 4.15Å; V238-N274 WeakPolarHBondContact CG1-O 3.36Å; K242-N274 HydrophobicContact CB-CB 4.29Å; L245-N274 HydrophobicContact CD1-CB 4.49Å; A270-N274 PolarHBondContact O-N 2.89Å; A270-N274 PolarHBondContact O-ND2 3.24Å; H271-N274 PolarHBondContact O-N 2.58Å; N274-T276 PolarHBondContact O-N 3.2Å; N274-T277 PolarHBondContact O-N 3.46Å; N274-F278 WeakPolarHBondContact O-CB 3.49Å; N274-F278 PolarHBondContact O-N 3.27Å
275	R	92	Very high	91.4	Very high	43 Å²	43	19 Å²	19	16%	0.162	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-45.8	176.1	-176.4	176.3	171.9	-133.4	-28.1	112.4	K242 H271 N272 F278 E279	K242-R275 HydrophobicContact CG-CB 3.91Å; K242-R275 HydrophobicContact CG-CG 4.43Å; H271-R275 WeakPolarHBondContact O-CB 3.05Å; H271-R275 PolarHBondContact O-N 3.03Å; N272-R275 PolarHBondContact O-N 2.97Å; R275-F278 PolarHBondContact O-N 3.43Å; R275-E279 HydrophobicContact CG-CG 4.26Å; R275-E279 IonicContact CZ-OE1 3.94Å; R275-E279 IonicContact CZ-OE2 2.68Å; R275-E279 IonicContact NE-OE1 3.05Å; R275-E279 PolarHBondContact NE-OE1 3.13Å; R275-E279 IonicContact NE-OE2 3.35Å; R275-E279 IonicContact NH2-OE1 2.81Å; R275-E279 PolarHBondContact NH2-OE1 2.93Å; R275-E279 IonicContact NH2-OE2 2.93Å; R275-E279 PolarHBondContact NH2-OE2 3.04Å; R275-E279 WeakPolarHBondContact O-CB 3.49Å; R275-E279 WeakPolarHBondContact O-CG 3.34Å; R275-E279 PolarHBondContact O-N 3.09Å
276	T	88.4	Confident	91.5	Very high	23 Å²	23	18.4 Å²	18.4	14%	0.141	9%	0.09	C	C	.	.	H	α-helix	trans	-63.8	-43.5	-179.8	-53.8	0	0	0	0	111.6	N272 R273 N274 T280 R595 M856	N272-T276 WeakPolarHBondContact O-CB 3.33Å; N272-T276 PolarHBondContact O-N 2.82Å; N272-T276 PolarHBondContact O-OG1 2.77Å; R273-T276 PolarHBondContact O-N 3.35Å; N274-T276 PolarHBondContact O-N 3.2Å; T276-T280 VanDerWaalsContact O-CB 3.31Å; T276-T280 WeakPolarHBondContact O-CB 3.5Å; T276-T280 PolarHBondContact O-N 3Å; T276-T280 VanDerWaalsContact O-N 3.1Å; T276-T280 PolarHBondContact O-OG1 3.48Å; T276-R595 PolarHBondContact OG1-NH1 3.08Å; T276-M856 HydrophobicContact CG2-CE 3.53Å
277	T	89.6	Confident	91.2	Very high	10 Å²	10	20.7 Å²	20.7	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-61	-51.7	176.7	-67.4	0	0	0	0	110.8	L233 V238 R273 N274 E279 T280 L281 V799	L233-T277 HydrophobicContact CD2-CG2 4.2Å; V238-T277 HydrophobicContact CG1-CG2 4.08Å; V238-T277 HydrophobicContact CG2-CG2 4.44Å; R273-T277 PolarHBondContact O-N 2.85Å; R273-T277 PolarHBondContact O-OG1 2.74Å; N274-T277 PolarHBondContact O-N 3.46Å; T277-E279 PolarHBondContact O-N 3.32Å; T277-T280 PolarHBondContact O-N 2.84Å; T277-T280 VanDerWaalsContact O-N 3.11Å; T277-L281 HydrophobicContact CG2-CD1 3.97Å; T277-L281 HydrophobicContact CG2-CG 4.37Å; T277-L281 WeakPolarHBondContact O-CG 3.4Å; T277-L281 PolarHBondContact O-N 3.42Å; T277-V799 HydrophobicContact CG2-CG1 4.12Å; T277-V799 HydrophobicContact CG2-CG2 3.63Å
278	F	94.4	Very high	91.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.2	-47.7	179.1	177.1	-122.9	0	0	0	113	A235 V238 G239 N274 R275 T280 L281 L282 T298 V299 A305 A306	A235-F278 HydrophobicContact CB-CD2 4.4Å; A235-F278 WeakPolarHBondContact O-CD2 3.39Å; A235-F278 VanDerWaalsContact O-CE2 3.3Å; A235-F278 WeakPolarHBondContact O-CE2 3.47Å; V238-F278 HydrophobicContact CG1-CB 4.15Å; G239-F278 VanDerWaalsContact CA-CD2 3.47Å; N274-F278 WeakPolarHBondContact O-CB 3.49Å; N274-F278 PolarHBondContact O-N 3.27Å; R275-F278 PolarHBondContact O-N 3.43Å; F278-T280 PolarHBondContact O-N 3.04Å; F278-L281 PolarHBondContact O-N 3.4Å; F278-L282 HydrophobicContact CD2-CD1 4.39Å; F278-L282 HydrophobicContact CD2-CG 4.23Å; F278-L282 HydrophobicContact CE1-CD1 3.97Å; F278-L282 HydrophobicContact CE2-CD1 3.83Å; F278-L282 HydrophobicContact CE2-CD2 3.96Å; F278-L282 HydrophobicContact CE2-CG 3.89Å; F278-L282 HydrophobicContact CZ-CD1 3.6Å; F278-L282 HydrophobicContact CZ-CD2 4.43Å; F278-L282 HydrophobicContact CZ-CG 4.21Å; F278-L282 WeakPolarHBondContact O-CG 3.25Å; F278-L282 PolarHBondContact O-N 3Å; F278-L282 VanDerWaalsContact O-N 3.16Å; F278-T298 HydrophobicContact CE2-CG2 3.69Å; F278-T298 HydrophobicContact CZ-CG2 3.62Å; F278-V299 HydrophobicContact CZ-CG1 4.06Å; F278-A305 HydrophobicContact CD1-CB 4.3Å; F278-A305 HydrophobicContact CE1-CB 3.43Å; F278-A305 VanDerWaalsContact CE1-CB 3.43Å; F278-A305 HydrophobicContact CZ-CB 3.77Å; F278-A306 HydrophobicContact CE1-CB 3.83Å; F278-A306 HydrophobicContact CZ-CB 4.34Å
279	E	91	Very high	91.1	Very high	60 Å²	60	19.8 Å²	19.8	28%	0.28	10%	0.097	S	C	.	.	H	α-helix	trans	-64.6	-21.7	177.7	-72.3	178.5	165.9	0	0	113.2	R275 T277 L310	R275-E279 HydrophobicContact CG-CG 4.26Å; R275-E279 IonicContact CZ-OE1 3.94Å; R275-E279 IonicContact CZ-OE2 2.68Å; R275-E279 IonicContact NE-OE1 3.05Å; R275-E279 PolarHBondContact NE-OE1 3.13Å; R275-E279 IonicContact NE-OE2 3.35Å; R275-E279 IonicContact NH2-OE1 2.81Å; R275-E279 PolarHBondContact NH2-OE1 2.93Å; R275-E279 IonicContact NH2-OE2 2.93Å; R275-E279 PolarHBondContact NH2-OE2 3.04Å; R275-E279 WeakPolarHBondContact O-CB 3.49Å; R275-E279 WeakPolarHBondContact O-CG 3.34Å; R275-E279 PolarHBondContact O-N 3.09Å; T277-E279 PolarHBondContact O-N 3.32Å; E279-L310 HydrophobicContact CB-CD2 4.13Å; E279-L310 HydrophobicContact CG-CD2 4.01Å
280	T	88.6	Confident	91	Very high	33 Å²	33	21.8 Å²	21.8	20%	0.202	11%	0.108	C	C	.	.	H	α-helix	trans	-91.7	-29.2	178.3	-53.1	0	0	0	0	112.9	T276 T277 F278 V799 R800	T276-T280 VanDerWaalsContact O-CB 3.31Å; T276-T280 WeakPolarHBondContact O-CB 3.5Å; T276-T280 PolarHBondContact O-N 3Å; T276-T280 VanDerWaalsContact O-N 3.1Å; T276-T280 PolarHBondContact O-OG1 3.48Å; T277-T280 PolarHBondContact O-N 2.84Å; T277-T280 VanDerWaalsContact O-N 3.11Å; F278-T280 PolarHBondContact O-N 3.04Å; T280-V799 HydrophobicContact CG2-CG1 3.81Å; T280-R800 HydrophobicContact CG2-CG 3.94Å
281	L	91	Very high	91.1	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-70.6	-43.4	172.4	-69.2	173.6	0	0	0	111.5	A235 T277 F278 R284 V799	A235-L281 HydrophobicContact CB-CB 3.7Å; A235-L281 HydrophobicContact CB-CD1 3.73Å; A235-L281 HydrophobicContact CB-CG 4.35Å; T277-L281 HydrophobicContact CG2-CD1 3.97Å; T277-L281 HydrophobicContact CG2-CG 4.37Å; T277-L281 WeakPolarHBondContact O-CG 3.4Å; T277-L281 PolarHBondContact O-N 3.42Å; F278-L281 PolarHBondContact O-N 3.4Å; L281-R284 CarbonylContact C-O 3.05Å; L281-R284 WeakPolarHBondContact O-CA 3.24Å; L281-R284 VanDerWaalsContact O-CB 3.28Å; L281-R284 WeakPolarHBondContact O-CB 3.42Å; L281-R284 PolarHBondContact O-N 3.31Å; L281-V799 HydrophobicContact CD2-CG1 3.96Å; L281-V799 HydrophobicContact CG-CG1 3.99Å
282	L	91.2	Very high	91.1	Very high	12 Å²	12	21.7 Å²	21.7	6%	0.063	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	138.5	-175.5	-72.5	-175.8	0	0	0	113	F278 L295 V299 A306 L310 T314	F278-L282 HydrophobicContact CD2-CD1 4.39Å; F278-L282 HydrophobicContact CD2-CG 4.23Å; F278-L282 HydrophobicContact CE1-CD1 3.97Å; F278-L282 HydrophobicContact CE2-CD1 3.83Å; F278-L282 HydrophobicContact CE2-CD2 3.96Å; F278-L282 HydrophobicContact CE2-CG 3.89Å; F278-L282 HydrophobicContact CZ-CD1 3.6Å; F278-L282 HydrophobicContact CZ-CD2 4.43Å; F278-L282 HydrophobicContact CZ-CG 4.21Å; F278-L282 WeakPolarHBondContact O-CG 3.25Å; F278-L282 PolarHBondContact O-N 3Å; F278-L282 VanDerWaalsContact O-N 3.16Å; L282-L295 HydrophobicContact CD2-CD1 4.35Å; L282-L295 HydrophobicContact CD2-CD2 3.54Å; L282-V299 HydrophobicContact CD1-CG1 4.08Å; L282-A306 HydrophobicContact CD1-CB 4.1Å; L282-L310 HydrophobicContact CB-CD1 3.81Å; L282-L310 HydrophobicContact CB-CD2 4.14Å; L282-L310 HydrophobicContact CB-CG 4.01Å; L282-L310 HydrophobicContact CD1-CD2 3.8Å; L282-L310 HydrophobicContact CD1-CG 3.83Å; L282-T314 HydrophobicContact CD2-CG2 3.88Å
283	P	89.9	Confident	91.3	Very high	43 Å²	43	21.4 Å²	21.4	28%	0.279	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97	33.8	7	39.7	-37.3	0	0	0	113.5	K317	P283-K317 HydrophobicContact CB-CD 3.83Å; P283-K317 HydrophobicContact CG-CD 3.85Å; P283-K317 WeakPolarHBondContact O-CD 3.25Å; P283-K317 PolarHBondContact O-NZ 2.89Å
284	R	92.4	Very high	91.5	Very high	47 Å²	47	18.4 Å²	18.4	18%	0.177	10%	0.095	C	C	.	.			trans	-96.2	149.3	169.3	176.4	179.2	71.4	109.1	-8.4	109.2	A235 L281 S286 N287 N290 V799	A235-R284 WeakPolarHBondContact CB-O 3.33Å; L281-R284 CarbonylContact C-O 3.05Å; L281-R284 WeakPolarHBondContact O-CA 3.24Å; L281-R284 VanDerWaalsContact O-CB 3.28Å; L281-R284 WeakPolarHBondContact O-CB 3.42Å; L281-R284 PolarHBondContact O-N 3.31Å; R284-S286 VanDerWaalsContact CD-O 3.26Å; R284-S286 WeakPolarHBondContact CD-O 3.34Å; R284-S286 WeakPolarHBondContact CG-O 3.2Å; R284-S286 PolarHBondContact NH1-O 3.31Å; R284-N287 PolarHBondContact NH1-OD1 3.28Å; R284-N290 WeakPolarHBondContact CA-O 3.21Å; R284-V799 PolarHBondContact NH2-O 3.45Å
285	E	93.8	Very high	91.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.			trans	-88.6	-51.8	175.3	174.8	59.7	-164.1	0	0	111.4	H234 A235 S236 K289 D292 L295	H234-E285 VanDerWaalsContact CB-OE1 3.3Å; H234-E285 WeakPolarHBondContact CB-OE1 3.21Å; H234-E285 IonicContact CD2-OE1 3.2Å; H234-E285 PolarHBondContact CD2-OE1 3.35Å; H234-E285 IonicContact CG-OE1 3.62Å; A235-E285 WeakPolarHBondContact CB-O 3.49Å; A235-E285 PolarHBondContact N-O 3.18Å; A235-E285 PolarHBondContact N-OE1 3.01Å; S236-E285 WeakPolarHBondContact CB-OE1 3.43Å; S236-E285 PolarHBondContact N-OE1 3.01Å; S236-E285 PolarHBondContact N-OE2 2.92Å; S236-E285 PolarHBondContact OG-OE1 3.3Å; E285-K289 HydrophobicContact CB-CB 4.03Å; E285-K289 HydrophobicContact CG-CB 4.2Å; E285-K289 HydrophobicContact CG-CD 4.4Å; E285-K289 PolarHBondContact N-O 2.96Å; E285-D292 HydrophobicContact CB-CB 3.72Å; E285-D292 HydrophobicContact CG-CB 3.66Å; E285-L295 HydrophobicContact CB-CD1 4.37Å; E285-L295 WeakPolarHBondContact OE2-CD2 3.44Å; E285-L295 WeakPolarHBondContact OE2-CG 3.44Å
286	S	92.2	Very high	91.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.			trans	-155.1	-169.3	-175.3	72	0	0	0	0	112.2	E232 R284 K289	E232-S286 WeakPolarHBondContact OE1-CB 3.11Å; E232-S286 PolarHBondContact OE1-OG 2.68Å; E232-S286 WeakPolarHBondContact OE2-CB 3.4Å; E232-S286 PolarHBondContact OE2-OG 3.17Å; E232-S286 VanDerWaalsContact OE2-OG 3.09Å; R284-S286 VanDerWaalsContact CD-O 3.26Å; R284-S286 WeakPolarHBondContact CD-O 3.34Å; R284-S286 WeakPolarHBondContact CG-O 3.2Å; R284-S286 PolarHBondContact NH1-O 3.31Å; S286-K289 PolarHBondContact N-O 3.14Å; S286-K289 VanDerWaalsContact OG-CB 3.26Å; S286-K289 WeakPolarHBondContact OG-CB 3.24Å; S286-K289 WeakPolarHBondContact OG-CG 3.36Å; S286-K289 PolarHBondContact OG-N 3.21Å
287	N	87.4	Confident	91.6	Very high	52 Å²	52	15.3 Å²	15.3	28%	0.278	8%	0.08	S	C	.	.	S	Bend	trans	-71.9	-40	177.6	-70.2	-4.4	0	0	0	111.8	R284	R284-N287 PolarHBondContact NH1-OD1 3.28Å
288	S	89.7	Confident	91.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-88.7	-22.9	175.9	65.8	0	0	0	0	114.2	R225 E232 N973	R225-S288 PolarHBondContact N-OG 3.09Å; E232-S288 PolarHBondContact OE1-OG 3.14Å; E232-S288 PolarHBondContact OE2-N 2.82Å; E232-S288 PolarHBondContact OE2-OG 3.2Å; S288-N973 WeakPolarHBondContact CB-ND2 3.5Å
289	K	90.7	Very high	91.6	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.017	8%	0.078	C	C	.	.			trans	-108.2	97.6	-179.3	-51.9	-172.7	-165.6	77	0	111.5	G223 R225 E232 H234 E285 S286 V291 D292 F331	G223-K289 PolarHBondContact O-NZ 3.46Å; R225-K289 HydrophobicContact CB-CG 4.3Å; E232-K289 IonicContact OE1-NZ 3Å; E232-K289 PolarHBondContact OE1-NZ 3.07Å; H234-K289 PolarHBondContact NE2-NZ 3.27Å; E285-K289 HydrophobicContact CB-CB 4.03Å; E285-K289 HydrophobicContact CG-CB 4.2Å; E285-K289 HydrophobicContact CG-CD 4.4Å; E285-K289 PolarHBondContact N-O 2.96Å; S286-K289 PolarHBondContact N-O 3.14Å; S286-K289 VanDerWaalsContact OG-CB 3.26Å; S286-K289 WeakPolarHBondContact OG-CB 3.24Å; S286-K289 WeakPolarHBondContact OG-CG 3.36Å; S286-K289 PolarHBondContact OG-N 3.21Å; K289-V291 VanDerWaalsContact C-N 3.26Å; K289-V291 PolarHBondContact O-N 2.99Å; K289-D292 VanDerWaalsContact CD-OD2 3.24Å; K289-D292 WeakPolarHBondContact CD-OD2 3.48Å; K289-F331 HydrophobicContact CD-CB 4.48Å; K289-F331 HydrophobicContact CD-CD1 4.06Å; K289-F331 HydrophobicContact CD-CG 4.19Å
290	N	89.5	Confident	91.4	Very high	47 Å²	47	12.5 Å²	12.5	25%	0.251	7%	0.068	S	C	.	.	S	Bend	trans	-61.4	-34.6	175.2	-170.3	-39	0	0	0	111.7	R284 K317 Y970	R284-N290 WeakPolarHBondContact CA-O 3.21Å; N290-K317 PolarHBondContact O-NZ 2.85Å; N290-K317 VanDerWaalsContact OD1-CE 3.3Å; N290-K317 WeakPolarHBondContact OD1-CE 3.47Å; N290-K317 PolarHBondContact OD1-NZ 2.66Å; N290-Y970 PolarHBondContact ND2-O 3.45Å
291	V	92.3	Very high	91.2	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.024	7%	0.065	C	C	.	.			trans	-152.7	142	174	62.9	0	0	0	0	110.2	K289 K317 C318 R321 L322	K289-V291 VanDerWaalsContact C-N 3.26Å; K289-V291 PolarHBondContact O-N 2.99Å; V291-K317 HydrophobicContact CB-CD 4.38Å; V291-K317 HydrophobicContact CG2-CD 4.26Å; V291-K317 HydrophobicContact CG2-CG 4.14Å; V291-C318 HydrophobicContact CG2-CB 4.45Å; V291-R321 HydrophobicContact CG1-CB 3.84Å; V291-R321 HydrophobicContact CG1-CG 4.39Å; V291-L322 HydrophobicContact CG1-CD1 4.45Å; V291-L322 HydrophobicContact CG1-CD2 4.21Å; V291-L322 HydrophobicContact CG1-CG 4.25Å; V291-L322 HydrophobicContact CG2-CD1 4.13Å
292	D	94.9	Very high	91.1	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-141.3	145.8	-179.5	-163.4	-48.2	0	0	0	109.9	W220 E285 K289 S294 L295 R330 F331	W220-D292 VanDerWaalsContact NE1-CG 3.31Å; W220-D292 PolarHBondContact NE1-OD1 3.42Å; W220-D292 PolarHBondContact NE1-OD2 3.02Å; W220-D292 VanDerWaalsContact NE1-OD2 3.13Å; E285-D292 HydrophobicContact CB-CB 3.72Å; E285-D292 HydrophobicContact CG-CB 3.66Å; K289-D292 VanDerWaalsContact CD-OD2 3.24Å; K289-D292 WeakPolarHBondContact CD-OD2 3.48Å; D292-S294 VanDerWaalsContact C-N 3.28Å; D292-S294 VanDerWaalsContact CG-OG 3.28Å; D292-S294 WeakPolarHBondContact OD1-CB 3.45Å; D292-S294 PolarHBondContact OD1-N 3.04Å; D292-S294 PolarHBondContact OD1-OG 2.9Å; D292-S294 VanDerWaalsContact OD1-OG 3.13Å; D292-L295 WeakPolarHBondContact O-CB 3.26Å; D292-L295 PolarHBondContact O-N 3.46Å; D292-R330 CarbonylContact C-O 3.54Å; D292-R330 VanDerWaalsContact CA-O 3.31Å; D292-R330 WeakPolarHBondContact CA-O 3.35Å; D292-R330 VanDerWaalsContact OD1-O 3.12Å; D292-F331 HydrophobicContact CB-CB 4.48Å; D292-F331 WeakPolarHBondContact OD2-CD1 3.42Å
293	A	93.8	Very high	91.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.9	175.8	0	0	0	0	0	113.1	L295 I296 P297 L322 R330 F366	A293-L295 PolarHBondContact O-N 2.84Å; A293-I296 HydrophobicContact CB-CD1 4.33Å; A293-I296 VanDerWaalsContact O-CB 3.32Å; A293-I296 WeakPolarHBondContact O-CB 3.44Å; A293-I296 WeakPolarHBondContact O-CG1 2.99Å; A293-I296 PolarHBondContact O-N 3.33Å; A293-P297 WeakPolarHBondContact O-CD 3.31Å; A293-L322 HydrophobicContact CB-CD1 4.05Å; A293-R330 PolarHBondContact N-O 3.42Å; A293-F366 HydrophobicContact CB-CD1 3.86Å; A293-F366 HydrophobicContact CB-CD2 3.94Å; A293-F366 HydrophobicContact CB-CE1 3.56Å; A293-F366 HydrophobicContact CB-CE2 3.64Å; A293-F366 HydrophobicContact CB-CG 4.05Å; A293-F366 HydrophobicContact CB-CZ 3.44Å; A293-F366 VanDerWaalsContact CB-CZ 3.44Å; A293-F366 WeakPolarHBondContact O-CE1 3.49Å
294	S	94.8	Very high	91	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.007	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.5	168.7	65.7	0	0	0	0	112.8	S236 D292 I296 P297 T298	S236-S294 VanDerWaalsContact CB-OG 3.31Å; S236-S294 WeakPolarHBondContact CB-OG 3.46Å; S236-S294 PolarHBondContact OG-OG 2.8Å; D292-S294 VanDerWaalsContact C-N 3.28Å; D292-S294 VanDerWaalsContact CG-OG 3.28Å; D292-S294 WeakPolarHBondContact OD1-CB 3.45Å; D292-S294 PolarHBondContact OD1-N 3.04Å; D292-S294 PolarHBondContact OD1-OG 2.9Å; D292-S294 VanDerWaalsContact OD1-OG 3.13Å; S294-I296 PolarHBondContact O-N 2.85Å; S294-P297 VanDerWaalsContact O-CD 3.28Å; S294-P297 WeakPolarHBondContact O-CD 3.5Å; S294-P297 WeakPolarHBondContact O-CG 3.27Å; S294-T298 PolarHBondContact O-OG1 2.79Å
295	L	94.2	Very high	90.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.7	-28.7	172.8	-69.9	175.8	0	0	0	113.1	A235 L282 E285 D292 A293 T298 V299 T314	A235-L295 HydrophobicContact CB-CD2 4.04Å; L282-L295 HydrophobicContact CD2-CD1 4.35Å; L282-L295 HydrophobicContact CD2-CD2 3.54Å; E285-L295 HydrophobicContact CB-CD1 4.37Å; E285-L295 WeakPolarHBondContact OE2-CD2 3.44Å; E285-L295 WeakPolarHBondContact OE2-CG 3.44Å; D292-L295 WeakPolarHBondContact O-CB 3.26Å; D292-L295 PolarHBondContact O-N 3.46Å; A293-L295 PolarHBondContact O-N 2.84Å; L295-T298 PolarHBondContact O-N 2.87Å; L295-V299 WeakPolarHBondContact O-CG2 3.43Å; L295-V299 PolarHBondContact O-N 3.34Å; L295-T314 HydrophobicContact CB-CG2 3.98Å; L295-T314 HydrophobicContact CD1-CG2 3.99Å; L295-T314 HydrophobicContact CG-CG2 4.45Å
296	I	91.1	Very high	90.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.2	-58.2	-177.3	-60.5	173.2	0	0	0	111.1	A293 S294 T298 V299 S300 I315 C318 L328 F366 Y369	A293-I296 HydrophobicContact CB-CD1 4.33Å; A293-I296 VanDerWaalsContact O-CB 3.32Å; A293-I296 WeakPolarHBondContact O-CB 3.44Å; A293-I296 WeakPolarHBondContact O-CG1 2.99Å; A293-I296 PolarHBondContact O-N 3.33Å; S294-I296 PolarHBondContact O-N 2.85Å; I296-T298 PolarHBondContact O-N 3.45Å; I296-V299 PolarHBondContact O-N 2.79Å; I296-S300 VanDerWaalsContact O-CB 3.32Å; I296-S300 WeakPolarHBondContact O-CB 3.3Å; I296-S300 PolarHBondContact O-N 3.48Å; I296-S300 PolarHBondContact O-OG 3.07Å; I296-I315 HydrophobicContact CB-CD1 4.41Å; I296-I315 HydrophobicContact CG1-CD1 4.1Å; I296-I315 HydrophobicContact CG2-CD1 4.21Å; I296-C318 HydrophobicContact CD1-CB 4.21Å; I296-C318 HydrophobicContact CG1-CB 4.21Å; I296-L328 HydrophobicContact CD1-CD2 3.44Å; I296-L328 VanDerWaalsContact CD1-CD2 3.44Å; I296-F366 HydrophobicContact CD1-CB 4.5Å; I296-F366 HydrophobicContact CD1-CD1 4.32Å; I296-Y369 HydrophobicContact CG2-CG 4.49Å
297	P	91	Very high	90.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.3	-23.3	175.5	23.1	-33.1	0	0	0	114.1	M219 M240 A293 S294 Y301 C303 Y369	M219-P297 HydrophobicContact CE-CG 3.97Å; M219-P297 HydrophobicContact SD-CG 4.32Å; M240-P297 HydrophobicContact CE-CB 4.03Å; M240-P297 HydrophobicContact CE-CG 4.16Å; A293-P297 WeakPolarHBondContact O-CD 3.31Å; S294-P297 VanDerWaalsContact O-CD 3.28Å; S294-P297 WeakPolarHBondContact O-CD 3.5Å; S294-P297 WeakPolarHBondContact O-CG 3.27Å; P297-Y301 WeakPolarHBondContact CA-O 3.38Å; P297-C303 WeakPolarHBondContact O-CB 3.26Å; P297-C303 PolarHBondContact O-N 3.03Å; P297-Y369 HydrophobicContact CB-CD1 4.49Å; P297-Y369 HydrophobicContact CB-CE1 3.8Å; P297-Y369 HydrophobicContact CB-CE2 4.34Å; P297-Y369 HydrophobicContact CG-CE2 4.4Å
298	T	93.4	Very high	89.8	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-73.9	-44.3	175.2	-63.8	0	0	0	0	112.8	S236 M240 F278 S294 L295 I296 C303 A305	S236-T298 WeakPolarHBondContact O-CG2 3.32Å; S236-T298 PolarHBondContact O-OG1 2.58Å; S236-T298 VanDerWaalsContact O-OG1 3.09Å; M240-T298 VanDerWaalsContact CE-OG1 3.29Å; M240-T298 WeakPolarHBondContact CE-OG1 3.31Å; M240-T298 HydrophobicContact CG-CG2 4.32Å; M240-T298 WeakPolarHBondContact CG-OG1 3.28Å; F278-T298 HydrophobicContact CE2-CG2 3.69Å; F278-T298 HydrophobicContact CZ-CG2 3.62Å; S294-T298 PolarHBondContact O-OG1 2.79Å; L295-T298 PolarHBondContact O-N 2.87Å; I296-T298 PolarHBondContact O-N 3.45Å; T298-C303 WeakPolarHBondContact O-CB 3.49Å; T298-A305 HydrophobicContact CG2-CB 4.03Å; T298-A305 WeakPolarHBondContact O-CB 3.36Å; T298-A305 PolarHBondContact O-N 2.67Å
299	V	90.2	Very high	89.6	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-87.6	-20.6	179	-53.5	0	0	0	0	113.7	F278 L282 L295 I296 A306 Y311 T314 I315	F278-V299 HydrophobicContact CZ-CG1 4.06Å; L282-V299 HydrophobicContact CD1-CG1 4.08Å; L295-V299 WeakPolarHBondContact O-CG2 3.43Å; L295-V299 PolarHBondContact O-N 3.34Å; I296-V299 PolarHBondContact O-N 2.79Å; V299-A306 HydrophobicContact CG1-CB 4.26Å; V299-Y311 HydrophobicContact CB-CD2 4Å; V299-Y311 HydrophobicContact CG2-CD2 3.82Å; V299-Y311 HydrophobicContact CG2-CE2 4.1Å; V299-Y311 WeakPolarHBondContact O-CD2 3.5Å; V299-T314 HydrophobicContact CG1-CG2 4.08Å; V299-T314 HydrophobicContact CG2-CG2 4.45Å; V299-I315 HydrophobicContact CG2-CD1 3.56Å; V299-I315 HydrophobicContact CG2-CG1 3.87Å
300	S	86.7	Confident	89.5	Confident	10 Å²	10	17.5 Å²	17.5	7%	0.07	11%	0.109	C	C	.	.	S	Bend	trans	-114.6	-150.3	178.7	76.7	0	0	0	0	111.5	I296 P302 C303 F304	I296-S300 VanDerWaalsContact O-CB 3.32Å; I296-S300 WeakPolarHBondContact O-CB 3.3Å; I296-S300 PolarHBondContact O-N 3.48Å; I296-S300 PolarHBondContact O-OG 3.07Å; S300-P302 CarbonylContact O-C 3.46Å; S300-C303 PolarHBondContact O-N 2.89Å; S300-F304 PolarHBondContact O-N 2.92Å
301	Y	85.2	Confident	89.2	Confident	36 Å²	36	19.4 Å²	19.4	14%	0.141	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	133.9	175.2	-178.7	-93.3	0	0	0	110.2	M91 P297 F304 Y369 L417 I420 I434	M91-Y301 WeakPolarHBondContact CE-OH 3.26Å; P297-Y301 WeakPolarHBondContact CA-O 3.38Å; Y301-F304 AromaticContact CD2-CE2 3.96Å; Y301-F304 HydrophobicContact CD2-CE2 3.96Å; Y301-F304 AromaticContact CD2-CZ 3.99Å; Y301-F304 HydrophobicContact CD2-CZ 3.99Å; Y301-F304 HydrophobicContact CG-CZ 4.36Å; Y301-Y369 HydrophobicContact CD1-CE1 4.49Å; Y301-Y369 VanDerWaalsContact O-CD1 3.22Å; Y301-Y369 WeakPolarHBondContact O-CD1 3.42Å; Y301-Y369 WeakPolarHBondContact O-CE1 3.42Å; Y301-L417 HydrophobicContact CD1-CD2 4.41Å; Y301-L417 HydrophobicContact CE1-CD2 4.01Å; Y301-I420 HydrophobicContact CE1-CG2 4.48Å; Y301-I434 HydrophobicContact CD2-CD1 4.36Å; Y301-I434 HydrophobicContact CE2-CD1 3.59Å; Y301-I434 HydrophobicContact CE2-CG1 4.03Å
302	P	89	Confident	88.7	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91	-17.1	8.2	34.7	-36.6	0	0	0	116.1	Y88 M91 L176 F179 S300 F304 R439	Y88-P302 HydrophobicContact CE1-CG 4.19Å; M91-P302 HydrophobicContact CE-CB 3.89Å; L176-P302 HydrophobicContact CD1-CG 4.31Å; F179-P302 HydrophobicContact CE2-CB 3.96Å; F179-P302 HydrophobicContact CE2-CG 4.19Å; F179-P302 HydrophobicContact CZ-CB 4.06Å; F179-P302 HydrophobicContact CZ-CG 3.8Å; S300-P302 CarbonylContact O-C 3.46Å; P302-F304 WeakPolarHBondContact O-CD2 3.32Å; P302-R439 PolarHBondContact O-NH2 3.16Å
303	C	90.7	Very high	88.5	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-38.9	-161.9	-61.9	0	0	0	0	115.3	F179 M240 A243 P297 T298 S300 A305	F179-C303 HydrophobicContact CE1-CB 4.46Å; F179-C303 WeakPolarHBondContact CE1-SG 3.45Å; F179-C303 WeakPolarHBondContact CZ-SG 3.3Å; M240-C303 PolarHBondContact SD-SG 3.5Å; A243-C303 HydrophobicContact CB-CB 4.09Å; A243-C303 WeakPolarHBondContact CB-O 3.49Å; P297-C303 WeakPolarHBondContact O-CB 3.26Å; P297-C303 PolarHBondContact O-N 3.03Å; T298-C303 WeakPolarHBondContact O-CB 3.49Å; S300-C303 PolarHBondContact O-N 2.89Å; C303-A305 VanDerWaalsContact C-N 3.28Å; C303-A305 PolarHBondContact O-N 2.56Å
304	F	88.6	Confident	88.4	Confident	30 Å²	30	31.3 Å²	31.3	13%	0.132	17%	0.165	C	C	.	.			trans	50.6	42	-175.2	-53.6	-77.5	0	0	0	113.8	S300 Y301 P302 A306 H307 R439 H440	S300-F304 PolarHBondContact O-N 2.92Å; Y301-F304 AromaticContact CD2-CE2 3.96Å; Y301-F304 HydrophobicContact CD2-CE2 3.96Å; Y301-F304 AromaticContact CD2-CZ 3.99Å; Y301-F304 HydrophobicContact CD2-CZ 3.99Å; Y301-F304 HydrophobicContact CG-CZ 4.36Å; P302-F304 WeakPolarHBondContact O-CD2 3.32Å; F304-A306 VanDerWaalsContact C-N 3.3Å; F304-A306 PolarHBondContact O-N 2.98Å; F304-H307 PolarHBondContact O-CE1 3.2Å; F304-H307 PolarHBondContact O-NE2 3.13Å; F304-R439 HydrophobicContact CB-CB 4.2Å; F304-R439 VanDerWaalsContact CB-O 3.24Å; F304-R439 WeakPolarHBondContact CB-O 3.4Å; F304-R439 HydrophobicContact CD2-CB 4.16Å; F304-H440 HydrophobicContact CD1-CB 3.94Å; F304-H440 HydrophobicContact CD2-CB 4.13Å; F304-H440 HydrophobicContact CE1-CB 3.73Å; F304-H440 HydrophobicContact CE2-CB 3.93Å; F304-H440 HydrophobicContact CG-CB 4.12Å; F304-H440 HydrophobicContact CZ-CB 3.72Å
305	A	90.5	Very high	87.9	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.17	C	C	.	.			trans	-67.6	-26.6	-170.6	0	0	0	0	0	114	G239 K242 A243 F278 T298 C303	G239-A305 VanDerWaalsContact O-CB 3.22Å; G239-A305 WeakPolarHBondContact O-CB 3.38Å; K242-A305 HydrophobicContact CD-CB 4.42Å; K242-A305 PolarHBondContact NZ-O 3.4Å; A243-A305 HydrophobicContact CB-CB 4.29Å; F278-A305 HydrophobicContact CD1-CB 4.3Å; F278-A305 HydrophobicContact CE1-CB 3.43Å; F278-A305 VanDerWaalsContact CE1-CB 3.43Å; F278-A305 HydrophobicContact CZ-CB 3.77Å; T298-A305 HydrophobicContact CG2-CB 4.03Å; T298-A305 WeakPolarHBondContact O-CB 3.36Å; T298-A305 PolarHBondContact O-N 2.67Å; C303-A305 VanDerWaalsContact C-N 3.28Å; C303-A305 PolarHBondContact O-N 2.56Å
306	A	87.1	Confident	87.7	Confident	5 Å²	5	37.9 Å²	37.9	4%	0.041	20%	0.196	C	C	.	.			trans	-130.1	151.1	179	0	0	0	0	0	111.7	F278 L282 V299 F304	F278-A306 HydrophobicContact CE1-CB 3.83Å; F278-A306 HydrophobicContact CZ-CB 4.34Å; L282-A306 HydrophobicContact CD1-CB 4.1Å; V299-A306 HydrophobicContact CG1-CB 4.26Å; F304-A306 VanDerWaalsContact C-N 3.3Å; F304-A306 PolarHBondContact O-N 2.98Å
307	H	82.4	Confident	87.8	Confident	53 Å²	53	39.4 Å²	39.4	25%	0.245	20%	0.202	C	C	.	.			trans	-129.1	176.4	-177.6	-53.8	90	0	0	0	111.4	F304 R439 P442	F304-H307 PolarHBondContact O-CE1 3.2Å; F304-H307 PolarHBondContact O-NE2 3.13Å; H307-R439 PolarHBondContact NE2-O 3.24Å; H307-P442 HydrophobicContact CB-CG 4.14Å
308	G	80	Confident	87.8	Confident	53 Å²	53	39.4 Å²	39.4	55%	0.546	20%	0.202	S	C	.	.	H	α-helix	trans	66.1	-134.5	168.7	0	0	0	0	0	114.9	K312	G308-K312 PolarHBondContact O-N 3.02Å
309	S	86.3	Confident	87.6	Confident	87 Å²	87	41.8 Å²	41.8	61%	0.608	22%	0.217	S	C	*	.	H	α-helix	trans	-71.3	-32.3	-175.7	55.2	0	0	0	0	113.5	K312 K313	S309-K312 PolarHBondContact O-N 2.84Å; S309-K313 WeakPolarHBondContact O-CG 3.29Å; S309-K313 PolarHBondContact O-N 2.9Å
310	L	87	Confident	87.7	Confident	37 Å²	37	50.9 Å²	50.9	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-40.7	-179.7	-168.1	62.8	0	0	0	111.6	E279 L282 T314	E279-L310 HydrophobicContact CB-CD2 4.13Å; E279-L310 HydrophobicContact CG-CD2 4.01Å; L282-L310 HydrophobicContact CB-CD1 3.81Å; L282-L310 HydrophobicContact CB-CD2 4.14Å; L282-L310 HydrophobicContact CB-CG 4.01Å; L282-L310 HydrophobicContact CD1-CD2 3.8Å; L282-L310 HydrophobicContact CD1-CG 3.83Å; L310-T314 WeakPolarHBondContact O-CB 3.34Å; L310-T314 PolarHBondContact O-N 2.87Å; L310-T314 PolarHBondContact O-OG1 3.25Å
311	Y	84.6	Confident	88	Confident	87 Å²	87	55.5 Å²	55.5	34%	0.341	27%	0.267	S	S	.	.	H	α-helix	trans	-52.6	-54.2	168.3	165.9	-93.9	0	0	0	111.3	V299 T314 I315	V299-Y311 HydrophobicContact CB-CD2 4Å; V299-Y311 HydrophobicContact CG2-CD2 3.82Å; V299-Y311 HydrophobicContact CG2-CE2 4.1Å; V299-Y311 WeakPolarHBondContact O-CD2 3.5Å; Y311-T314 PolarHBondContact O-N 2.75Å; Y311-I315 HydrophobicContact CD2-CG1 4.3Å; Y311-I315 HydrophobicContact CE1-CG1 4.46Å; Y311-I315 HydrophobicContact CE2-CD1 4.47Å; Y311-I315 HydrophobicContact CE2-CG1 3.87Å; Y311-I315 PolarHBondContact O-N 3.32Å
312	K	81.6	Confident	88.4	Confident	127 Å²	127	53.9 Å²	53.9	55%	0.552	26%	0.261	S	S	*	.	H	α-helix	trans	-58.4	-54.8	-178.5	-72.8	-172.9	178.8	-172.5	0	112	G308 S309 T314 I315 E316	G308-K312 PolarHBondContact O-N 3.02Å; S309-K312 PolarHBondContact O-N 2.84Å; K312-T314 PolarHBondContact O-N 3.07Å; K312-I315 PolarHBondContact O-N 2.63Å; K312-E316 VanDerWaalsContact O-CB 3.28Å; K312-E316 WeakPolarHBondContact O-CB 3.35Å; K312-E316 WeakPolarHBondContact O-CG 3.26Å; K312-E316 PolarHBondContact O-N 2.91Å
313	K	90.9	Very high	88.5	Confident	129 Å²	129	60.2 Å²	60.2	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-54.5	-37.1	178.2	-73.5	178.2	177.1	-174	0	112.8	S309 K317	S309-K313 WeakPolarHBondContact O-CG 3.29Å; S309-K313 PolarHBondContact O-N 2.9Å; K313-K317 WeakPolarHBondContact O-CB 3.46Å; K313-K317 PolarHBondContact O-N 3.32Å
314	T	90.4	Very high	88.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70.7	-51.9	179.9	-55.6	0	0	0	0	111.3	L282 L295 V299 L310 Y311 K312 E316 K317 C318	L282-T314 HydrophobicContact CD2-CG2 3.88Å; L295-T314 HydrophobicContact CB-CG2 3.98Å; L295-T314 HydrophobicContact CD1-CG2 3.99Å; L295-T314 HydrophobicContact CG-CG2 4.45Å; V299-T314 HydrophobicContact CG1-CG2 4.08Å; V299-T314 HydrophobicContact CG2-CG2 4.45Å; L310-T314 WeakPolarHBondContact O-CB 3.34Å; L310-T314 PolarHBondContact O-N 2.87Å; L310-T314 PolarHBondContact O-OG1 3.25Å; Y311-T314 PolarHBondContact O-N 2.75Å; K312-T314 PolarHBondContact O-N 3.07Å; T314-E316 PolarHBondContact O-N 3.16Å; T314-K317 PolarHBondContact O-N 2.78Å; T314-C318 PolarHBondContact O-N 3.19Å; T314-C318 PolarHBondContact O-SG 2.93Å
315	I	85.7	Confident	88.2	Confident	23 Å²	23	66.7 Å²	66.7	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-44	176.9	-65.6	-61.7	0	0	0	111.1	I296 V299 Y311 K312 K317 C318 V319	I296-I315 HydrophobicContact CB-CD1 4.41Å; I296-I315 HydrophobicContact CG1-CD1 4.1Å; I296-I315 HydrophobicContact CG2-CD1 4.21Å; V299-I315 HydrophobicContact CG2-CD1 3.56Å; V299-I315 HydrophobicContact CG2-CG1 3.87Å; Y311-I315 HydrophobicContact CD2-CG1 4.3Å; Y311-I315 HydrophobicContact CE1-CG1 4.46Å; Y311-I315 HydrophobicContact CE2-CD1 4.47Å; Y311-I315 HydrophobicContact CE2-CG1 3.87Å; Y311-I315 PolarHBondContact O-N 3.32Å; K312-I315 PolarHBondContact O-N 2.63Å; I315-K317 VanDerWaalsContact C-N 3.34Å; I315-K317 PolarHBondContact O-N 2.87Å; I315-C318 PolarHBondContact O-N 3.35Å; I315-V319 HydrophobicContact CG2-CG2 4.19Å; I315-V319 WeakPolarHBondContact O-CB 3.3Å; I315-V319 WeakPolarHBondContact O-CG2 3.5Å; I315-V319 PolarHBondContact O-N 2.91Å
316	E	89.5	Confident	88	Confident	115 Å²	115	68.8 Å²	68.8	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-42.1	176.5	-73.2	160.4	-166.4	0	0	111.9	K312 T314 R320	K312-E316 VanDerWaalsContact O-CB 3.28Å; K312-E316 WeakPolarHBondContact O-CB 3.35Å; K312-E316 WeakPolarHBondContact O-CG 3.26Å; K312-E316 PolarHBondContact O-N 2.91Å; T314-E316 PolarHBondContact O-N 3.16Å; E316-R320 WeakPolarHBondContact O-CB 3.28Å; E316-R320 PolarHBondContact O-N 3.29Å
317	K	92.9	Very high	88	Confident	32 Å²	32	68.5 Å²	68.5	14%	0.139	33%	0.328	C	S	.	.	H	α-helix	trans	-67.2	-43.9	176	-168.7	-171.4	178.6	-170.2	0	112.1	P283 N290 V291 K313 T314 I315 R320 R321	P283-K317 HydrophobicContact CB-CD 3.83Å; P283-K317 HydrophobicContact CG-CD 3.85Å; P283-K317 WeakPolarHBondContact O-CD 3.25Å; P283-K317 PolarHBondContact O-NZ 2.89Å; N290-K317 PolarHBondContact O-NZ 2.85Å; N290-K317 VanDerWaalsContact OD1-CE 3.3Å; N290-K317 WeakPolarHBondContact OD1-CE 3.47Å; N290-K317 PolarHBondContact OD1-NZ 2.66Å; V291-K317 HydrophobicContact CB-CD 4.38Å; V291-K317 HydrophobicContact CG2-CD 4.26Å; V291-K317 HydrophobicContact CG2-CG 4.14Å; K313-K317 WeakPolarHBondContact O-CB 3.46Å; K313-K317 PolarHBondContact O-N 3.32Å; T314-K317 PolarHBondContact O-N 2.78Å; I315-K317 VanDerWaalsContact C-N 3.34Å; I315-K317 PolarHBondContact O-N 2.87Å; K317-R320 PolarHBondContact O-N 3.4Å; K317-R321 WeakPolarHBondContact O-CB 3.13Å; K317-R321 PolarHBondContact O-N 3.31Å; K317-R321 VanDerWaalsContact O-N 3.1Å
318	C	90.8	Very high	88.5	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-52.8	177.7	-62.6	0	0	0	0	110.7	V291 I296 T314 I315 R320 R321 L322	V291-C318 HydrophobicContact CG2-CB 4.45Å; I296-C318 HydrophobicContact CD1-CB 4.21Å; I296-C318 HydrophobicContact CG1-CB 4.21Å; T314-C318 PolarHBondContact O-N 3.19Å; T314-C318 PolarHBondContact O-SG 2.93Å; I315-C318 PolarHBondContact O-N 3.35Å; C318-R320 PolarHBondContact O-N 3.19Å; C318-R321 PolarHBondContact O-N 2.83Å; C318-L322 VanDerWaalsContact O-CB 3.31Å; C318-L322 WeakPolarHBondContact O-CB 3.41Å; C318-L322 PolarHBondContact O-N 2.97Å
319	V	89.3	Confident	89.1	Confident	51 Å²	51	65.2 Å²	65.2	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-41.6	178.8	174.1	0	0	0	0	111.5	I315 R321 K323 L370	I315-V319 HydrophobicContact CG2-CG2 4.19Å; I315-V319 WeakPolarHBondContact O-CB 3.3Å; I315-V319 WeakPolarHBondContact O-CG2 3.5Å; I315-V319 PolarHBondContact O-N 2.91Å; V319-R321 PolarHBondContact O-N 3.37Å; V319-K323 HydrophobicContact CG1-CB 4.4Å; V319-K323 HydrophobicContact CG1-CD 4.1Å; V319-K323 WeakPolarHBondContact O-CB 3.39Å; V319-K323 PolarHBondContact O-N 2.95Å; V319-L370 HydrophobicContact CG2-CD1 4.15Å
320	R	93	Very high	89.5	Confident	192 Å²	192	61.6 Å²	61.6	73%	0.725	27%	0.271	S	S	*	.	H	α-helix	trans	-68	-27.8	-179.7	-176.8	174.2	64.9	115.2	-1.7	114.2	E316 K317 C318	E316-R320 WeakPolarHBondContact O-CB 3.28Å; E316-R320 PolarHBondContact O-N 3.29Å; K317-R320 PolarHBondContact O-N 3.4Å; C318-R320 PolarHBondContact O-N 3.19Å
321	R	92.7	Very high	89.8	Confident	107 Å²	107	60 Å²	60	40%	0.404	26%	0.263	S	S	.	.	H	α-helix	trans	-108	-25.6	-174.6	-66.8	-71.9	-78.4	-153.7	-4.2	114.3	V291 K317 C318 V319	V291-R321 HydrophobicContact CG1-CB 3.84Å; V291-R321 HydrophobicContact CG1-CG 4.39Å; K317-R321 WeakPolarHBondContact O-CB 3.13Å; K317-R321 PolarHBondContact O-N 3.31Å; K317-R321 VanDerWaalsContact O-N 3.1Å; C318-R321 PolarHBondContact O-N 2.83Å; V319-R321 PolarHBondContact O-N 3.37Å
322	L	93.5	Very high	90.2	Very high	2 Å²	2	58 Å²	58	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-114.1	-15.3	-171.6	-57.7	174.4	0	0	0	114.2	V291 A293 C318 G324 L328 K329 L332	V291-L322 HydrophobicContact CG1-CD1 4.45Å; V291-L322 HydrophobicContact CG1-CD2 4.21Å; V291-L322 HydrophobicContact CG1-CG 4.25Å; V291-L322 HydrophobicContact CG2-CD1 4.13Å; A293-L322 HydrophobicContact CB-CD1 4.05Å; C318-L322 VanDerWaalsContact O-CB 3.31Å; C318-L322 WeakPolarHBondContact O-CB 3.41Å; C318-L322 PolarHBondContact O-N 2.97Å; L322-G324 PolarHBondContact O-N 3.37Å; L322-L328 HydrophobicContact CB-CB 4.27Å; L322-L328 HydrophobicContact CB-CD2 4.36Å; L322-L328 HydrophobicContact CB-CG 4.3Å; L322-L328 CarbonylContact O-C 3.55Å; L322-L328 VanDerWaalsContact O-CA 3.27Å; L322-L328 WeakPolarHBondContact O-CA 3.45Å; L322-K329 HydrophobicContact CB-CB 4.41Å; L322-K329 HydrophobicContact CD2-CB 4.12Å; L322-K329 PolarHBondContact O-N 3.12Å; L322-L332 HydrophobicContact CD2-CD2 4.09Å; L322-L332 HydrophobicContact CD2-CG 4.09Å
323	K	90.6	Very high	90.7	Very high	132 Å²	132	52.8 Å²	52.8	57%	0.574	24%	0.235	S	C	*	.	B	Isolated β-bridge	trans	-68.7	120.7	-178.2	179.9	177.4	173.9	-177.5	0	111.7	V319 L328 F367	V319-K323 HydrophobicContact CG1-CB 4.4Å; V319-K323 HydrophobicContact CG1-CD 4.1Å; V319-K323 WeakPolarHBondContact O-CB 3.39Å; V319-K323 PolarHBondContact O-N 2.95Å; K323-L328 HydrophobicContact CB-CD1 4.28Å; K323-L328 HydrophobicContact CB-CG 4.38Å; K323-L328 HydrophobicContact CG-CD1 4.44Å; K323-F367 HydrophobicContact CG-CE1 4.33Å
324	G	87.9	Confident	90.8	Very high	22 Å²	22	46.7 Å²	46.7	23%	0.227	21%	0.208	C	C	.	.			trans	-100.7	-160.5	164.5	0	0	0	0	0	112.6	L322 G327	L322-G324 PolarHBondContact O-N 3.37Å; G324-G327 PolarHBondContact N-O 3.23Å
325	K	85.6	Confident	90.8	Very high	146 Å²	146	46.7 Å²	46.7	64%	0.635	21%	0.208	S	C	*	.	S	Bend	trans	-82.8	-30.9	178.7	-178.8	177.8	171.2	-162.7	0	112.5
326	Y	85.8	Confident	91	Very high	44 Å²	44	48.2 Å²	48.2	17%	0.173	21%	0.214	C	C	.	.	S	Bend	trans	-113.9	-8.3	-171.8	-53.4	-81.3	0	0	0	114	F367 Y381 F400	Y326-F367 VanDerWaalsContact C-CE2 3.49Å; Y326-Y381 HydrophobicContact CD1-CD1 4.2Å; Y326-Y381 HydrophobicContact CD1-CE1 4.12Å; Y326-Y381 HydrophobicContact CG-CD1 4.14Å; Y326-Y381 HydrophobicContact CG-CE1 4.46Å; Y326-Y381 HydrophobicContact CG-CG 4.2Å; Y326-F400 HydrophobicContact CD2-CB 3.82Å; Y326-F400 HydrophobicContact CD2-CD2 4.46Å; Y326-F400 HydrophobicContact CD2-CG 4.27Å; Y326-F400 HydrophobicContact CE2-CB 3.91Å; Y326-F400 HydrophobicContact CE2-CD2 4.28Å; Y326-F400 HydrophobicContact CE2-CG 4.4Å
327	G	88.1	Confident	90.9	Very high	0 Å²	0	46 Å²	46	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	176.2	-159.9	-180	0	0	0	0	0	111.7	G324 W363 F367	G324-G327 PolarHBondContact N-O 3.23Å; G327-W363 WeakPolarHBondContact CA-O 3.42Å; G327-F367 VanDerWaalsContact N-CE2 3.34Å
328	L	91.4	Very high	90.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-108	144.4	164.6	-82.8	64.8	0	0	0	110	I296 L322 K323 W363 F366 F367 L370	I296-L328 HydrophobicContact CD1-CD2 3.44Å; I296-L328 VanDerWaalsContact CD1-CD2 3.44Å; L322-L328 HydrophobicContact CB-CB 4.27Å; L322-L328 HydrophobicContact CB-CD2 4.36Å; L322-L328 HydrophobicContact CB-CG 4.3Å; L322-L328 CarbonylContact O-C 3.55Å; L322-L328 VanDerWaalsContact O-CA 3.27Å; L322-L328 WeakPolarHBondContact O-CA 3.45Å; K323-L328 HydrophobicContact CB-CD1 4.28Å; K323-L328 HydrophobicContact CB-CG 4.38Å; K323-L328 HydrophobicContact CG-CD1 4.44Å; L328-W363 PolarHBondContact N-O 3.01Å; L328-W363 WeakPolarHBondContact O-CB 3.41Å; L328-W363 PolarHBondContact O-N 3.23Å; L328-F366 HydrophobicContact CB-CB 3.88Å; L328-F366 HydrophobicContact CB-CD2 3.8Å; L328-F366 HydrophobicContact CB-CG 4.1Å; L328-F366 HydrophobicContact CD1-CB 4.08Å; L328-F366 HydrophobicContact CD2-CB 4.15Å; L328-F366 HydrophobicContact CG-CB 4.24Å; L328-F367 HydrophobicContact CD1-CD1 3.77Å; L328-F367 HydrophobicContact CD1-CE1 3.47Å; L328-F367 VanDerWaalsContact CD1-CE1 3.47Å; L328-F367 HydrophobicContact CD1-CZ 4.49Å; L328-L370 HydrophobicContact CD1-CD1 4.34Å
329	K	94.6	Very high	90.7	Very high	36 Å²	36	46.6 Å²	46.6	16%	0.157	21%	0.206	C	C	.	.			trans	-62.2	148.5	162.6	-60.3	175.8	171.2	-171.9	0	109.1	L322 E360	L322-K329 HydrophobicContact CB-CB 4.41Å; L322-K329 HydrophobicContact CD2-CB 4.12Å; L322-K329 PolarHBondContact O-N 3.12Å; K329-E360 HydrophobicContact CB-CB 4.39Å; K329-E360 HydrophobicContact CD-CB 3.83Å; K329-E360 HydrophobicContact CD-CG 4.21Å; K329-E360 VanDerWaalsContact CE-OE2 3.31Å; K329-E360 WeakPolarHBondContact CE-OE2 3.07Å; K329-E360 HydrophobicContact CG-CB 3.96Å; K329-E360 IonicContact NZ-OE1 3.53Å; K329-E360 PolarHBondContact NZ-OE1 3.14Å; K329-E360 IonicContact NZ-OE2 3.89Å; K329-E360 PolarHBondContact NZ-OE2 3.05Å
330	R	93.8	Very high	90.7	Very high	11 Å²	11	47 Å²	47	4%	0.042	21%	0.206	C	C	.	.	S	Bend	trans	-66.4	-55.3	174.9	-57.9	-170.7	-58.8	157.4	11.2	109.9	W220 D292 A293 D334 W363 F366	W220-R330 HydrophobicContact CZ2-CB 4.33Å; W220-R330 HydrophobicContact CZ2-CG 4.25Å; D292-R330 CarbonylContact C-O 3.54Å; D292-R330 VanDerWaalsContact CA-O 3.31Å; D292-R330 WeakPolarHBondContact CA-O 3.35Å; D292-R330 VanDerWaalsContact OD1-O 3.12Å; A293-R330 PolarHBondContact N-O 3.42Å; R330-D334 WeakPolarHBondContact CB-OD2 3.34Å; R330-D334 IonicContact CZ-OD1 2.72Å; R330-D334 IonicContact CZ-OD2 3.95Å; R330-D334 IonicContact NE-OD1 2.79Å; R330-D334 IonicContact NE-OD2 2.58Å; R330-D334 PolarHBondContact NE-OD2 2.82Å; R330-D334 IonicContact NH2-OD1 3.2Å; R330-D334 PolarHBondContact NH2-OD1 3.22Å; R330-D334 IonicContact NH2-OD2 2.65Å; R330-D334 PolarHBondContact NH2-OD2 3.02Å; R330-W363 HydrophobicContact CG-CD2 4.13Å; R330-W363 HydrophobicContact CG-CG 4.1Å; R330-W363 HydrophobicContact CG-CZ2 4.37Å; R330-F366 HydrophobicContact CG-CE2 4.44Å
331	F	93.8	Very high	90.6	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-144.4	173.1	169.2	48.1	-92.3	0	0	0	109.3	W220 L222 R225 K289 D292 D334	W220-F331 AromaticContact CD1-CD1 3.8Å; W220-F331 AromaticContact CD1-CE1 3.76Å; W220-F331 HydrophobicContact CG-CE1 4.31Å; L222-F331 HydrophobicContact CD1-CE1 4.01Å; L222-F331 HydrophobicContact CD1-CZ 3.59Å; R225-F331 HydrophobicContact CG-CD2 3.89Å; R225-F331 HydrophobicContact CG-CE2 3.66Å; K289-F331 HydrophobicContact CD-CB 4.48Å; K289-F331 HydrophobicContact CD-CD1 4.06Å; K289-F331 HydrophobicContact CD-CG 4.19Å; D292-F331 HydrophobicContact CB-CB 4.48Å; D292-F331 WeakPolarHBondContact OD2-CD1 3.42Å; F331-D334 HydrophobicContact CD1-CB 4.46Å; F331-D334 HydrophobicContact CD2-CB 3.73Å; F331-D334 HydrophobicContact CE1-CB 4.26Å; F331-D334 VanDerWaalsContact CE2-CA 3.46Å; F331-D334 HydrophobicContact CE2-CB 3.49Å; F331-D334 VanDerWaalsContact CE2-CB 3.49Å; F331-D334 HydrophobicContact CG-CB 4.2Å; F331-D334 HydrophobicContact CZ-CB 3.78Å; F331-D334 WeakPolarHBondContact CZ-OD1 3.34Å; F331-D334 WeakPolarHBondContact O-CB 3.33Å
332	L	92.2	Very high	90.4	Very high	45 Å²	45	37.3 Å²	37.3	24%	0.236	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	137.7	176.4	-63.6	174.7	0	0	0	110.5	R225 L322 D334 E360	R225-L332 VanDerWaalsContact CD-O 3.27Å; R225-L332 WeakPolarHBondContact CD-O 3.35Å; L322-L332 HydrophobicContact CD2-CD2 4.09Å; L322-L332 HydrophobicContact CD2-CG 4.09Å; L332-D334 VanDerWaalsContact C-N 3.31Å; L332-E360 WeakPolarHBondContact CA-OE1 3.48Å
333	R	91.4	Very high	90	Very high	19 Å²	19	42.3 Å²	42.3	7%	0.072	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	31.5	-170.4	-62.5	-173.7	-179.1	162	8.6	114.8	G335 T353 D357 E360 S965 M967	R333-G335 PolarHBondContact O-N 3.37Å; R333-T353 WeakPolarHBondContact CB-O 3.37Å; R333-D357 HydrophobicContact CG-CB 3.93Å; R333-D357 IonicContact CZ-OD2 3.41Å; R333-D357 VanDerWaalsContact CZ-OD2 3.23Å; R333-D357 IonicContact NE-OD2 3.85Å; R333-D357 PolarHBondContact NE-OD2 2.92Å; R333-D357 IonicContact NH2-OD2 3.14Å; R333-D357 PolarHBondContact NH2-OD2 3.19Å; R333-E360 PolarHBondContact N-OE1 3.31Å; R333-S965 PolarHBondContact NH1-O 3.39Å; R333-M967 PolarHBondContact NH1-O 3Å
334	D	92.9	Very high	89.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.			trans	-75	109.9	167.7	-178.2	23.9	0	0	0	111.8	R330 F331 L332 K336 E360	R330-D334 WeakPolarHBondContact CB-OD2 3.34Å; R330-D334 IonicContact CZ-OD1 2.72Å; R330-D334 IonicContact CZ-OD2 3.95Å; R330-D334 IonicContact NE-OD1 2.79Å; R330-D334 IonicContact NE-OD2 2.58Å; R330-D334 PolarHBondContact NE-OD2 2.82Å; R330-D334 IonicContact NH2-OD1 3.2Å; R330-D334 PolarHBondContact NH2-OD1 3.22Å; R330-D334 IonicContact NH2-OD2 2.65Å; R330-D334 PolarHBondContact NH2-OD2 3.02Å; F331-D334 HydrophobicContact CD1-CB 4.46Å; F331-D334 HydrophobicContact CD2-CB 3.73Å; F331-D334 HydrophobicContact CE1-CB 4.26Å; F331-D334 VanDerWaalsContact CE2-CA 3.46Å; F331-D334 HydrophobicContact CE2-CB 3.49Å; F331-D334 VanDerWaalsContact CE2-CB 3.49Å; F331-D334 HydrophobicContact CG-CB 4.2Å; F331-D334 HydrophobicContact CZ-CB 3.78Å; F331-D334 WeakPolarHBondContact CZ-OD1 3.34Å; F331-D334 WeakPolarHBondContact O-CB 3.33Å; L332-D334 VanDerWaalsContact C-N 3.31Å; D334-K336 VanDerWaalsContact C-N 3.32Å; D334-K336 WeakPolarHBondContact OD1-CB 3.36Å; D334-K336 PolarHBondContact OD1-N 2.87Å; D334-K336 VanDerWaalsContact OD1-N 3.08Å; D334-E360 HydrophobicContact CB-CB 4.4Å; D334-E360 HydrophobicContact CB-CG 4.28Å; D334-E360 WeakPolarHBondContact O-CB 3.17Å; D334-E360 WeakPolarHBondContact O-CG 3.32Å
335	G	90.6	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.			trans	-76.8	-11.5	175.6	0	0	0	0	0	115.4	R333 Y337 S338 F356	R333-G335 PolarHBondContact O-N 3.37Å; G335-Y337 PolarHBondContact O-N 2.95Å; G335-S338 WeakPolarHBondContact O-CB 3.32Å; G335-S338 PolarHBondContact O-N 2.65Å; G335-S338 PolarHBondContact O-OG 3.1Å; G335-F356 VanDerWaalsContact CA-CD1 3.4Å
336	K	90.1	Very high	89.6	Confident	55 Å²	55	43.3 Å²	43.3	24%	0.239	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	124.2	-161.8	-162.4	53.4	169	-176.5	0	113.1	D334 S338 E341 C361	D334-K336 VanDerWaalsContact C-N 3.32Å; D334-K336 WeakPolarHBondContact OD1-CB 3.36Å; D334-K336 PolarHBondContact OD1-N 2.87Å; D334-K336 VanDerWaalsContact OD1-N 3.08Å; K336-S338 PolarHBondContact O-N 3.12Å; K336-E341 WeakPolarHBondContact CD-OE1 3.19Å; K336-E341 WeakPolarHBondContact CE-OE1 3.45Å; K336-E341 IonicContact NZ-OE1 3.74Å; K336-E341 PolarHBondContact NZ-OE1 3.4Å; K336-E341 IonicContact NZ-OE2 3.58Å; K336-C361 PolarHBondContact O-SG 2.88Å
337	Y	89.1	Confident	89.8	Confident	70 Å²	70	45.2 Å²	45.2	28%	0.275	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	11.9	-172.9	-46.8	-52	0	0	0	115.5	G335 E341 C361 W363 Y380	G335-Y337 PolarHBondContact O-N 2.95Å; Y337-E341 WeakPolarHBondContact CA-OE2 3.33Å; Y337-E341 PolarHBondContact N-OE2 3.49Å; Y337-C361 PolarHBondContact O-SG 3.1Å; Y337-W363 AromaticContact CD2-CH2 4Å; Y337-W363 HydrophobicContact CD2-CH2 4Å; Y337-W363 AromaticContact CD2-CZ2 3.89Å; Y337-W363 HydrophobicContact CD2-CZ2 3.89Å; Y337-W363 AromaticContact CE2-CH2 3.81Å; Y337-W363 HydrophobicContact CE2-CH2 3.81Å; Y337-W363 HydrophobicContact CE2-CZ2 4.14Å; Y337-Y380 AromaticContact CD2-CD1 3.54Å; Y337-Y380 HydrophobicContact CD2-CD1 3.54Å; Y337-Y380 AromaticContact CD2-CE1 3.32Å; Y337-Y380 HydrophobicContact CD2-CE1 3.32Å; Y337-Y380 HydrophobicContact CD2-CG 4.4Å; Y337-Y380 HydrophobicContact CE2-CD1 4.29Å; Y337-Y380 HydrophobicContact CE2-CE1 4.06Å; Y337-Y380 HydrophobicContact CG-CD1 4.17Å; Y337-Y380 AromaticContact CG-CE1 3.59Å; Y337-Y380 HydrophobicContact CG-CE1 3.59Å; Y337-Y380 AromaticContact CG-CZ 3.82Å
338	S	89.6	Confident	89.8	Confident	7 Å²	7	46 Å²	46	5%	0.049	23%	0.227	C	C	.	.			trans	-64.1	152.9	167.7	75.4	0	0	0	0	109.4	G335 K336 L340 E341 F356 C361	G335-S338 WeakPolarHBondContact O-CB 3.32Å; G335-S338 PolarHBondContact O-N 2.65Å; G335-S338 PolarHBondContact O-OG 3.1Å; K336-S338 PolarHBondContact O-N 3.12Å; S338-L340 PolarHBondContact O-N 3.29Å; S338-L340 VanDerWaalsContact O-N 3.07Å; S338-E341 PolarHBondContact O-N 2.79Å; S338-E341 VanDerWaalsContact O-N 3.15Å; S338-E341 PolarHBondContact OG-N 2.7Å; S338-F356 WeakPolarHBondContact OG-CD1 3.31Å; S338-C361 PolarHBondContact N-SG 3.15Å; S338-C361 VanDerWaalsContact N-SG 3.42Å
339	D	87.8	Confident	89.7	Confident	37 Å²	37	51 Å²	51	20%	0.198	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.5	-179	-139.4	27.2	0	0	0	112.6	Y382 L383 K385 K406	D339-Y382 HydrophobicContact CB-CD2 4.34Å; D339-L383 WeakPolarHBondContact CB-O 3.4Å; D339-K385 HydrophobicContact CB-CG 4.03Å; D339-K385 WeakPolarHBondContact O-CE 3.31Å; D339-K385 WeakPolarHBondContact OD2-CG 3.36Å; D339-K385 PolarHBondContact OD2-N 3.21Å; D339-K406 WeakPolarHBondContact OD1-CE 3.49Å; D339-K406 IonicContact OD1-NZ 2.78Å; D339-K406 PolarHBondContact OD1-NZ 2.92Å
340	L	90.3	Very high	89.2	Confident	59 Å²	59	53 Å²	53	31%	0.309	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-18.1	175.2	-61.1	179.1	0	0	0	114	S338 L355 F356 V359 I388	S338-L340 PolarHBondContact O-N 3.29Å; S338-L340 VanDerWaalsContact O-N 3.07Å; L340-L355 HydrophobicContact CD1-CB 4.34Å; L340-L355 WeakPolarHBondContact CD1-O 3.36Å; L340-F356 HydrophobicContact CB-CD1 4.28Å; L340-F356 HydrophobicContact CB-CE1 4.03Å; L340-V359 HydrophobicContact CD1-CG2 4.14Å; L340-I388 HydrophobicContact CD1-CD1 3.95Å; L340-I388 HydrophobicContact CD2-CD1 3.73Å; L340-I388 HydrophobicContact CG-CD1 3.61Å
341	E	90.5	Very high	88.7	Confident	21 Å²	21	53.2 Å²	53.2	10%	0.098	28%	0.282	C	S	.	.	S	Bend	trans	-64.1	138.4	178.4	-173.6	-174.4	-160.3	0	0	110.5	K336 Y337 S338 P343	K336-E341 WeakPolarHBondContact CD-OE1 3.19Å; K336-E341 WeakPolarHBondContact CE-OE1 3.45Å; K336-E341 IonicContact NZ-OE1 3.74Å; K336-E341 PolarHBondContact NZ-OE1 3.4Å; K336-E341 IonicContact NZ-OE2 3.58Å; Y337-E341 WeakPolarHBondContact CA-OE2 3.33Å; Y337-E341 PolarHBondContact N-OE2 3.49Å; S338-E341 PolarHBondContact O-N 2.79Å; S338-E341 VanDerWaalsContact O-N 3.15Å; S338-E341 PolarHBondContact OG-N 2.7Å; E341-P343 VanDerWaalsContact O-CD 3.23Å; E341-P343 WeakPolarHBondContact O-CD 3.49Å
342	N	89.3	Confident	88.5	Confident	74 Å²	74	54.2 Å²	54.2	40%	0.396	29%	0.287	S	S	.	.			trans	-86.7	104.5	167.4	-179.2	2.3	0	0	0	109.7	N344 K345	N342-N344 PolarHBondContact O-N 3.07Å; N342-N344 VanDerWaalsContact O-N 3.1Å; N342-N344 PolarHBondContact OD1-N 3.22Å; N342-K345 HydrophobicContact CB-CB 4.14Å; N342-K345 WeakPolarHBondContact O-CB 3.45Å; N342-K345 PolarHBondContact O-N 3.28Å; N342-K345 VanDerWaalsContact O-N 3.17Å
343	P	84.2	Confident	88.4	Confident	108 Å²	108	52.1 Å²	52.1	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.8	-174.5	31.4	-38.1	0	0	0	113.9	E341 K345	E341-P343 VanDerWaalsContact O-CD 3.23Å; E341-P343 WeakPolarHBondContact O-CD 3.49Å; P343-K345 VanDerWaalsContact C-N 3.31Å
344	N	86.9	Confident	88.2	Confident	151 Å²	151	55 Å²	55	81%	0.807	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	7.1	177.2	-55.7	-52.6	0	0	0	112.8	N342	N342-N344 PolarHBondContact O-N 3.07Å; N342-N344 VanDerWaalsContact O-N 3.1Å; N342-N344 PolarHBondContact OD1-N 3.22Å
345	K	86.4	Confident	88.1	Confident	59 Å²	59	59.2 Å²	59.2	26%	0.257	31%	0.311	S	S	.	.			trans	-123.4	129.7	-172.1	-161.8	-169.4	177.5	-164.5	0	109.7	N342 P343 Y347 D349 E352	N342-K345 HydrophobicContact CB-CB 4.14Å; N342-K345 WeakPolarHBondContact O-CB 3.45Å; N342-K345 PolarHBondContact O-N 3.28Å; N342-K345 VanDerWaalsContact O-N 3.17Å; P343-K345 VanDerWaalsContact C-N 3.31Å; K345-Y347 WeakPolarHBondContact CD-O 3.35Å; K345-Y347 WeakPolarHBondContact CE-O 3.38Å; K345-Y347 VanDerWaalsContact CG-O 3.31Å; K345-Y347 WeakPolarHBondContact CG-O 3.36Å; K345-Y347 PolarHBondContact NZ-O 2.91Å; K345-D349 IonicContact NZ-OD1 3.73Å; K345-D349 PolarHBondContact NZ-OD1 3.31Å; K345-D349 IonicContact NZ-OD2 2.75Å; K345-D349 PolarHBondContact NZ-OD2 3.06Å; K345-E352 IonicContact NZ-OE2 3.51Å; K345-E352 PolarHBondContact NZ-OE2 2.86Å
346	E	82.9	Confident	88.1	Confident	110 Å²	110	59.2 Å²	59.2	51%	0.514	31%	0.311	S	S	.	.	S	Bend	trans	-81.4	-39.9	-175.7	-172.8	165.8	-150.9	0	0	112.8	N227	N227-E346 PolarHBondContact ND2-O 3.33Å
347	Y	89.6	Confident	88.1	Confident	84 Å²	84	59.7 Å²	59.7	33%	0.329	32%	0.316	S	S	.	.	S	Bend	trans	-117.1	156.7	-177.2	-57.3	-51.8	0	0	0	111.7	N227 G229 K345	N227-Y347 CarbonylContact O-C 3.57Å; N227-Y347 WeakPolarHBondContact O-CA 3.14Å; N227-Y347 WeakPolarHBondContact O-CB 3.18Å; N227-Y347 WeakPolarHBondContact O-CD1 3.47Å; G229-Y347 VanDerWaalsContact N-CE1 3.27Å; K345-Y347 WeakPolarHBondContact CD-O 3.35Å; K345-Y347 WeakPolarHBondContact CE-O 3.38Å; K345-Y347 VanDerWaalsContact CG-O 3.31Å; K345-Y347 WeakPolarHBondContact CG-O 3.36Å; K345-Y347 PolarHBondContact NZ-O 2.91Å
348	Y	89.4	Confident	88	Confident	18 Å²	18	58 Å²	58	7%	0.071	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-86.8	154.2	176.6	-58.6	-40.8	0	0	0	112.4	Y226 N227 E352 T353 F356	Y226-Y348 WeakPolarHBondContact O-CB 3.45Å; Y226-Y348 WeakPolarHBondContact O-CD2 3.43Å; N227-Y348 HydrophobicContact CB-CD2 3.56Å; N227-Y348 HydrophobicContact CB-CE2 3.65Å; N227-Y348 HydrophobicContact CB-CG 4.17Å; N227-Y348 PolarHBondContact O-N 3.08Å; N227-Y348 VanDerWaalsContact O-N 3.09Å; Y348-E352 VanDerWaalsContact CA-OE2 3.31Å; Y348-E352 WeakPolarHBondContact CA-OE2 3.23Å; Y348-T353 HydrophobicContact CD2-CG2 3.83Å; Y348-T353 HydrophobicContact CE2-CG2 4.45Å; Y348-F356 HydrophobicContact CD1-CE2 4.3Å; Y348-F356 HydrophobicContact CD1-CZ 4.48Å; Y348-F356 HydrophobicContact CD2-CE2 4.44Å; Y348-F356 HydrophobicContact CE1-CE2 4.04Å; Y348-F356 HydrophobicContact CE1-CZ 4.18Å; Y348-F356 HydrophobicContact CE2-CE2 4.19Å; Y348-F356 AromaticContact CZ-CE2 3.98Å
349	D	89	Confident	88.1	Confident	105 Å²	105	57.8 Å²	57.8	56%	0.561	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-79.3	155	168.8	-68.2	-30.6	0	0	0	110.3	K345 G351 E352	K345-D349 IonicContact NZ-OD1 3.73Å; K345-D349 PolarHBondContact NZ-OD1 3.31Å; K345-D349 IonicContact NZ-OD2 2.75Å; K345-D349 PolarHBondContact NZ-OD2 3.06Å; D349-G351 PolarHBondContact O-N 3.37Å; D349-E352 HydrophobicContact CB-CB 4.28Å; D349-E352 PolarHBondContact N-OE2 3.08Å; D349-E352 WeakPolarHBondContact O-CB 3.15Å; D349-E352 PolarHBondContact O-N 3.18Å
350	A	84.4	Confident	88.4	Confident	76 Å²	76	56 Å²	56	63%	0.628	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	122.9	172.9	0	0	0	0	0	110.7	P962 D966	A350-P962 HydrophobicContact CB-CB 3.82Å; A350-P962 HydrophobicContact CB-CG 3.65Å; A350-D966 VanDerWaalsContact CA-OD2 3.27Å; A350-D966 WeakPolarHBondContact CA-OD2 3.24Å
351	G	83.5	Confident	88.5	Confident	17 Å²	17	53.2 Å²	53.2	18%	0.175	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-16.5	-173.4	0	0	0	0	0	114.4	D349 T353 K354 D966	D349-G351 PolarHBondContact O-N 3.37Å; G351-T353 VanDerWaalsContact C-N 3.27Å; G351-T353 PolarHBondContact O-N 2.7Å; G351-K354 WeakPolarHBondContact O-CB 3.34Å; G351-K354 PolarHBondContact O-N 2.57Å; G351-D966 WeakPolarHBondContact CA-OD1 3.45Å; G351-D966 PolarHBondContact N-OD1 3.37Å; G351-D966 PolarHBondContact N-OD2 3.04Å
352	E	89.4	Confident	88.6	Confident	24 Å²	24	52.8 Å²	52.8	11%	0.112	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-62.1	-34.6	-175.4	-171	178.8	167.2	0	0	111.4	K345 Y348 D349 K354 L355 F356	K345-E352 IonicContact NZ-OE2 3.51Å; K345-E352 PolarHBondContact NZ-OE2 2.86Å; Y348-E352 VanDerWaalsContact CA-OE2 3.31Å; Y348-E352 WeakPolarHBondContact CA-OE2 3.23Å; D349-E352 HydrophobicContact CB-CB 4.28Å; D349-E352 PolarHBondContact N-OE2 3.08Å; D349-E352 WeakPolarHBondContact O-CB 3.15Å; D349-E352 PolarHBondContact O-N 3.18Å; E352-K354 PolarHBondContact O-N 2.68Å; E352-K354 VanDerWaalsContact O-N 3.1Å; E352-L355 HydrophobicContact CG-CD1 4.29Å; E352-L355 VanDerWaalsContact O-CB 3.25Å; E352-L355 WeakPolarHBondContact O-CB 3.36Å; E352-L355 WeakPolarHBondContact O-CG 3.45Å; E352-L355 PolarHBondContact O-N 2.86Å; E352-F356 HydrophobicContact CG-CE2 4.23Å; E352-F356 HydrophobicContact CG-CZ 3.97Å
353	T	89.5	Confident	88.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.4	-178.7	63.4	0	0	0	0	113.9	Y226 R333 Y348 G351 L355 F356 D966	Y226-T353 HydrophobicContact CD1-CG2 4.43Å; R333-T353 WeakPolarHBondContact CB-O 3.37Å; Y348-T353 HydrophobicContact CD2-CG2 3.83Å; Y348-T353 HydrophobicContact CE2-CG2 4.45Å; G351-T353 VanDerWaalsContact C-N 3.27Å; G351-T353 PolarHBondContact O-N 2.7Å; T353-L355 PolarHBondContact O-N 2.79Å; T353-F356 PolarHBondContact O-N 3.15Å; T353-D966 WeakPolarHBondContact OG1-CA 3.24Å; T353-D966 PolarHBondContact OG1-O 3.44Å; T353-D966 PolarHBondContact OG1-OD1 2.88Å
354	K	87.9	Confident	88.9	Confident	80 Å²	80	45.3 Å²	45.3	35%	0.348	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.9	-29.3	173.6	-152	-169.2	-140.1	148.8	0	112.8	G351 E352 F356 D357 L964 S965	G351-K354 WeakPolarHBondContact O-CB 3.34Å; G351-K354 PolarHBondContact O-N 2.57Å; E352-K354 PolarHBondContact O-N 2.68Å; E352-K354 VanDerWaalsContact O-N 3.1Å; K354-F356 PolarHBondContact O-N 3.07Å; K354-D357 WeakPolarHBondContact O-CB 3.32Å; K354-D357 PolarHBondContact O-N 3.42Å; K354-D357 VanDerWaalsContact O-N 3.16Å; K354-L964 VanDerWaalsContact CE-O 3.28Å; K354-L964 WeakPolarHBondContact CE-O 3.33Å; K354-L964 PolarHBondContact NZ-O 2.68Å; K354-S965 VanDerWaalsContact CB-O 3.31Å; K354-S965 WeakPolarHBondContact CB-O 3.2Å; K354-S965 WeakPolarHBondContact CD-OG 3.49Å; K354-S965 PolarHBondContact NZ-OG 2.88Å
355	L	89.9	Confident	88.9	Confident	88 Å²	88	38.3 Å²	38.3	46%	0.461	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-65.6	-23.7	-178.3	-57	178.9	0	0	0	111.5	L340 E352 T353 R392	L340-L355 HydrophobicContact CD1-CB 4.34Å; L340-L355 WeakPolarHBondContact CD1-O 3.36Å; E352-L355 HydrophobicContact CG-CD1 4.29Å; E352-L355 VanDerWaalsContact O-CB 3.25Å; E352-L355 WeakPolarHBondContact O-CB 3.36Å; E352-L355 WeakPolarHBondContact O-CG 3.45Å; E352-L355 PolarHBondContact O-N 2.86Å; T353-L355 PolarHBondContact O-N 2.79Å; L355-R392 PolarHBondContact O-NH2 2.88Å
356	F	91.4	Very high	88.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-87.4	-7.3	179.5	-45.1	-50.9	0	0	0	113.3	G335 S338 L340 Y348 E352 T353 K354 G358 V359 E360	G335-F356 VanDerWaalsContact CA-CD1 3.4Å; S338-F356 WeakPolarHBondContact OG-CD1 3.31Å; L340-F356 HydrophobicContact CB-CD1 4.28Å; L340-F356 HydrophobicContact CB-CE1 4.03Å; Y348-F356 HydrophobicContact CD1-CE2 4.3Å; Y348-F356 HydrophobicContact CD1-CZ 4.48Å; Y348-F356 HydrophobicContact CD2-CE2 4.44Å; Y348-F356 HydrophobicContact CE1-CE2 4.04Å; Y348-F356 HydrophobicContact CE1-CZ 4.18Å; Y348-F356 HydrophobicContact CE2-CE2 4.19Å; Y348-F356 AromaticContact CZ-CE2 3.98Å; E352-F356 HydrophobicContact CG-CE2 4.23Å; E352-F356 HydrophobicContact CG-CZ 3.97Å; T353-F356 PolarHBondContact O-N 3.15Å; K354-F356 PolarHBondContact O-N 3.07Å; F356-G358 PolarHBondContact O-N 3.49Å; F356-V359 PolarHBondContact O-N 2.74Å; F356-V359 VanDerWaalsContact O-N 3.17Å; F356-E360 VanDerWaalsContact O-CD 3.31Å; F356-E360 WeakPolarHBondContact O-CG 3.43Å; F356-E360 PolarHBondContact O-N 3.28Å
357	D	89.4	Confident	88.9	Confident	65 Å²	65	32 Å²	32	35%	0.348	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	128.7	-179.5	-150.9	-19.5	0	0	0	111.5	R333 K354 V359	R333-D357 HydrophobicContact CG-CB 3.93Å; R333-D357 IonicContact CZ-OD2 3.41Å; R333-D357 VanDerWaalsContact CZ-OD2 3.23Å; R333-D357 IonicContact NE-OD2 3.85Å; R333-D357 PolarHBondContact NE-OD2 2.92Å; R333-D357 IonicContact NH2-OD2 3.14Å; R333-D357 PolarHBondContact NH2-OD2 3.19Å; K354-D357 WeakPolarHBondContact O-CB 3.32Å; K354-D357 PolarHBondContact O-N 3.42Å; K354-D357 VanDerWaalsContact O-N 3.16Å; D357-V359 PolarHBondContact O-N 3.25Å
358	G	88	Confident	88.4	Confident	34 Å²	34	28.7 Å²	28.7	35%	0.351	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-20	-175.2	0	0	0	0	0	115.8	F356 E360	F356-G358 PolarHBondContact O-N 3.49Å; G358-E360 WeakPolarHBondContact CA-OE2 3.42Å; G358-E360 PolarHBondContact N-OE2 2.95Å; G358-E360 VanDerWaalsContact N-OE2 3.07Å
359	V	90.7	Very high	87.8	Confident	3 Å²	3	29 Å²	29	2%	0.018	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	12.3	-170.5	-60.5	0	0	0	0	114.5	L340 F356 D357 L383 I388 R392	L340-V359 HydrophobicContact CD1-CG2 4.14Å; F356-V359 PolarHBondContact O-N 2.74Å; F356-V359 VanDerWaalsContact O-N 3.17Å; D357-V359 PolarHBondContact O-N 3.25Å; V359-L383 HydrophobicContact CG1-CD2 4.09Å; V359-I388 HydrophobicContact CG1-CG1 4.27Å; V359-I388 HydrophobicContact CG1-CG2 4.16Å; V359-R392 HydrophobicContact CG1-CG 4.17Å
360	E	93.4	Very high	87	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-58.3	141.1	178.6	-50.8	94.2	118.7	0	0	112.4	K329 L332 R333 D334 F356 G358	K329-E360 HydrophobicContact CB-CB 4.39Å; K329-E360 HydrophobicContact CD-CB 3.83Å; K329-E360 HydrophobicContact CD-CG 4.21Å; K329-E360 VanDerWaalsContact CE-OE2 3.31Å; K329-E360 WeakPolarHBondContact CE-OE2 3.07Å; K329-E360 HydrophobicContact CG-CB 3.96Å; K329-E360 IonicContact NZ-OE1 3.53Å; K329-E360 PolarHBondContact NZ-OE1 3.14Å; K329-E360 IonicContact NZ-OE2 3.89Å; K329-E360 PolarHBondContact NZ-OE2 3.05Å; L332-E360 WeakPolarHBondContact CA-OE1 3.48Å; R333-E360 PolarHBondContact N-OE1 3.31Å; D334-E360 HydrophobicContact CB-CB 4.4Å; D334-E360 HydrophobicContact CB-CG 4.28Å; D334-E360 WeakPolarHBondContact O-CB 3.17Å; D334-E360 WeakPolarHBondContact O-CG 3.32Å; F356-E360 VanDerWaalsContact O-CD 3.31Å; F356-E360 WeakPolarHBondContact O-CG 3.43Å; F356-E360 PolarHBondContact O-N 3.28Å; G358-E360 WeakPolarHBondContact CA-OE2 3.42Å; G358-E360 PolarHBondContact N-OE2 2.95Å; G358-E360 VanDerWaalsContact N-OE2 3.07Å
361	C	93.1	Very high	86	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-57.8	140.2	177.9	-72.4	0	0	0	0	112.7	K336 Y337 S338 W363 Y380 Y381	K336-C361 PolarHBondContact O-SG 2.88Å; Y337-C361 PolarHBondContact O-SG 3.1Å; S338-C361 PolarHBondContact N-SG 3.15Å; S338-C361 VanDerWaalsContact N-SG 3.42Å; C361-W363 VanDerWaalsContact O-CD1 3.28Å; C361-Y380 HydrophobicContact CB-CD2 4.39Å; C361-Y381 CarbonylContact C-O 3.38Å; C361-Y381 WeakPolarHBondContact CA-O 3.45Å
362	Q	92.5	Very high	83.9	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.056	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-101.8	117.8	179.6	-61.8	177.7	44.8	0	0	110	P364 Y380 Y381 F400	Q362-P364 WeakPolarHBondContact O-CD 3.42Å; Q362-Y380 CarbonylContact O-C 3.46Å; Q362-Y381 PolarHBondContact N-O 2.95Å; Q362-Y381 PolarHBondContact O-N 2.81Å; Q362-F400 HydrophobicContact CG-CD1 4.24Å; Q362-F400 HydrophobicContact CG-CE1 4.11Å; Q362-F400 VanDerWaalsContact NE2-CE1 3.3Å; Q362-F400 VanDerWaalsContact NE2-CE2 3.32Å
363	W	91.4	Very high	80.9	Confident	11 Å²	11	36.7 Å²	36.7	4%	0.042	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-100.6	113.9	-172.2	-65.9	70.1	0	0	0	110.6	G327 L328 R330 Y337 C361 I365 F366 Q379	G327-W363 WeakPolarHBondContact CA-O 3.42Å; L328-W363 PolarHBondContact N-O 3.01Å; L328-W363 WeakPolarHBondContact O-CB 3.41Å; L328-W363 PolarHBondContact O-N 3.23Å; R330-W363 HydrophobicContact CG-CD2 4.13Å; R330-W363 HydrophobicContact CG-CG 4.1Å; R330-W363 HydrophobicContact CG-CZ2 4.37Å; Y337-W363 AromaticContact CD2-CH2 4Å; Y337-W363 HydrophobicContact CD2-CH2 4Å; Y337-W363 AromaticContact CD2-CZ2 3.89Å; Y337-W363 HydrophobicContact CD2-CZ2 3.89Å; Y337-W363 AromaticContact CE2-CH2 3.81Å; Y337-W363 HydrophobicContact CE2-CH2 3.81Å; Y337-W363 HydrophobicContact CE2-CZ2 4.14Å; C361-W363 VanDerWaalsContact O-CD1 3.28Å; W363-I365 VanDerWaalsContact C-N 3.28Å; W363-I365 HydrophobicContact CB-CG2 4.21Å; W363-I365 PolarHBondContact O-N 2.85Å; W363-F366 HydrophobicContact CB-CD2 3.78Å; W363-F366 HydrophobicContact CB-CE2 3.68Å; W363-F366 HydrophobicContact CG-CE2 4.34Å; W363-F366 WeakPolarHBondContact O-CD2 3.4Å; W363-Q379 HydrophobicContact CE3-CG 4.43Å; W363-Q379 HydrophobicContact CH2-CG 4.31Å; W363-Q379 HydrophobicContact CZ3-CG 3.78Å
364	P	87.5	Confident	78.4	Confident	14 Å²	14	38.9 Å²	38.9	9%	0.091	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.2	-176.1	29.7	-36.4	0	0	0	113.5	Q362 F366 F367 I368 V377 P378 Y381	Q362-P364 WeakPolarHBondContact O-CD 3.42Å; P364-F366 PolarHBondContact O-N 3.02Å; P364-F366 VanDerWaalsContact O-N 3.12Å; P364-F367 WeakPolarHBondContact O-CA 3.48Å; P364-F367 WeakPolarHBondContact O-CB 3.11Å; P364-F367 PolarHBondContact O-N 2.7Å; P364-I368 PolarHBondContact O-N 3.47Å; P364-V377 HydrophobicContact CB-CG1 3.87Å; P364-V377 HydrophobicContact CG-CG1 3.5Å; P364-P378 HydrophobicContact CG-CG 4.24Å; P364-P378 WeakPolarHBondContact CG-O 3.44Å; P364-Y381 HydrophobicContact CB-CE2 4.25Å; P364-Y381 HydrophobicContact CG-CD2 4.28Å; P364-Y381 HydrophobicContact CG-CE2 4.03Å
365	I	87.4	Confident	76.6	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-52.3	-34.7	174.9	-167	175.8	0	0	0	112.4	W363 F367 I368 Y369 F411 W413 L417	W363-I365 VanDerWaalsContact C-N 3.28Å; W363-I365 HydrophobicContact CB-CG2 4.21Å; W363-I365 PolarHBondContact O-N 2.85Å; I365-F367 VanDerWaalsContact C-N 3.31Å; I365-F367 PolarHBondContact O-N 2.75Å; I365-I368 HydrophobicContact CG1-CD1 4.2Å; I365-I368 VanDerWaalsContact O-CB 3.31Å; I365-I368 WeakPolarHBondContact O-CB 3.46Å; I365-I368 PolarHBondContact O-N 3.43Å; I365-Y369 HydrophobicContact CD1-CE2 4.37Å; I365-Y369 HydrophobicContact CG1-CD2 4.45Å; I365-Y369 HydrophobicContact CG1-CE2 4.08Å; I365-Y369 WeakPolarHBondContact O-CD2 3.45Å; I365-Y369 PolarHBondContact O-N 3.22Å; I365-F411 HydrophobicContact CD1-CE1 3.88Å; I365-F411 HydrophobicContact CD1-CZ 4.28Å; I365-W413 HydrophobicContact CD1-CD2 3.81Å; I365-W413 HydrophobicContact CD1-CE3 4.47Å; I365-W413 HydrophobicContact CD1-CG 3.96Å; I365-W413 HydrophobicContact CD1-CZ2 4.22Å; I365-L417 HydrophobicContact CD1-CD1 3.81Å; I365-L417 HydrophobicContact CG1-CD1 3.73Å
366	F	86.4	Confident	75	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-71.3	-21.5	177.1	-57.2	-63.1	0	0	0	113.8	W220 A293 I296 L328 R330 W363 P364 Y369 L370	W220-F366 HydrophobicContact CH2-CE1 4.43Å; W220-F366 AromaticContact CH2-CZ 3.73Å; W220-F366 HydrophobicContact CH2-CZ 3.73Å; W220-F366 HydrophobicContact CZ2-CE1 4.45Å; W220-F366 AromaticContact CZ2-CZ 3.74Å; W220-F366 HydrophobicContact CZ2-CZ 3.74Å; A293-F366 HydrophobicContact CB-CD1 3.86Å; A293-F366 HydrophobicContact CB-CD2 3.94Å; A293-F366 HydrophobicContact CB-CE1 3.56Å; A293-F366 HydrophobicContact CB-CE2 3.64Å; A293-F366 HydrophobicContact CB-CG 4.05Å; A293-F366 HydrophobicContact CB-CZ 3.44Å; A293-F366 VanDerWaalsContact CB-CZ 3.44Å; A293-F366 WeakPolarHBondContact O-CE1 3.49Å; I296-F366 HydrophobicContact CD1-CB 4.5Å; I296-F366 HydrophobicContact CD1-CD1 4.32Å; L328-F366 HydrophobicContact CB-CB 3.88Å; L328-F366 HydrophobicContact CB-CD2 3.8Å; L328-F366 HydrophobicContact CB-CG 4.1Å; L328-F366 HydrophobicContact CD1-CB 4.08Å; L328-F366 HydrophobicContact CD2-CB 4.15Å; L328-F366 HydrophobicContact CG-CB 4.24Å; R330-F366 HydrophobicContact CG-CE2 4.44Å; W363-F366 HydrophobicContact CB-CD2 3.78Å; W363-F366 HydrophobicContact CB-CE2 3.68Å; W363-F366 HydrophobicContact CG-CE2 4.34Å; W363-F366 WeakPolarHBondContact O-CD2 3.4Å; P364-F366 PolarHBondContact O-N 3.02Å; P364-F366 VanDerWaalsContact O-N 3.12Å; F366-Y369 HydrophobicContact CD1-CD2 4.08Å; F366-Y369 HydrophobicContact CD1-CE2 4.45Å; F366-L370 WeakPolarHBondContact O-CB 3.06Å; F366-L370 WeakPolarHBondContact O-CD1 3.44Å; F366-L370 WeakPolarHBondContact O-CG 3.34Å; F366-L370 PolarHBondContact O-N 3.05Å; F366-L370 VanDerWaalsContact O-N 3.16Å
367	F	84	Confident	74	Confident	36 Å²	36	42.4 Å²	42.4	16%	0.158	24%	0.237	C	C	.	.	H	α-helix	trans	-76.3	-22.1	168	-71.4	-14.6	0	0	0	112.8	K323 Y326 G327 L328 P364 I365 L370 I371 I372	K323-F367 HydrophobicContact CG-CE1 4.33Å; Y326-F367 VanDerWaalsContact C-CE2 3.49Å; G327-F367 VanDerWaalsContact N-CE2 3.34Å; L328-F367 HydrophobicContact CD1-CD1 3.77Å; L328-F367 HydrophobicContact CD1-CE1 3.47Å; L328-F367 VanDerWaalsContact CD1-CE1 3.47Å; L328-F367 HydrophobicContact CD1-CZ 4.49Å; P364-F367 WeakPolarHBondContact O-CA 3.48Å; P364-F367 WeakPolarHBondContact O-CB 3.11Å; P364-F367 PolarHBondContact O-N 2.7Å; I365-F367 VanDerWaalsContact C-N 3.31Å; I365-F367 PolarHBondContact O-N 2.75Å; F367-L370 CarbonylContact O-C 3.57Å; F367-L370 PolarHBondContact O-N 3.34Å; F367-I371 PolarHBondContact O-N 2.73Å; F367-I371 VanDerWaalsContact O-N 3.12Å; F367-I372 HydrophobicContact CB-CB 4.31Å; F367-I372 HydrophobicContact CB-CD1 3.92Å; F367-I372 HydrophobicContact CB-CG1 4.14Å; F367-I372 HydrophobicContact CD2-CD1 4.14Å; F367-I372 HydrophobicContact CG-CD1 4.07Å; F367-I372 PolarHBondContact O-N 3.13Å
368	I	78.7	Confident	73.4	Confident	14 Å²	14	40.3 Å²	40.3	7%	0.072	23%	0.227	C	C	.	.	H	α-helix	trans	-70.3	-49.9	170.9	-45.4	169.4	0	0	0	109.9	P364 I365 L370 I371 V377 G414 L417 A421	P364-I368 PolarHBondContact O-N 3.47Å; I365-I368 HydrophobicContact CG1-CD1 4.2Å; I365-I368 VanDerWaalsContact O-CB 3.31Å; I365-I368 WeakPolarHBondContact O-CB 3.46Å; I365-I368 PolarHBondContact O-N 3.43Å; I368-L370 PolarHBondContact O-N 3.35Å; I368-I371 PolarHBondContact O-N 2.77Å; I368-V377 HydrophobicContact CD1-CB 4.41Å; I368-V377 HydrophobicContact CD1-CG1 4.19Å; I368-V377 HydrophobicContact CD1-CG2 3.98Å; I368-V377 HydrophobicContact CG1-CG2 4.31Å; I368-G414 WeakPolarHBondContact CD1-O 3.34Å; I368-L417 HydrophobicContact CD1-CB 4.11Å; I368-L417 HydrophobicContact CG2-CB 4.01Å; I368-A421 HydrophobicContact CG2-CB 3.6Å
369	Y	77.5	Confident	73.2	Confident	26 Å²	26	39.2 Å²	39.2	10%	0.102	21%	0.213	C	C	.	.	H	α-helix	trans	-56.1	-22.9	170.8	-69.7	-67.5	0	0	0	112.2	Y88 I296 P297 Y301 I365 F366 W413 L417	Y88-Y369 PolarHBondContact OH-OH 3.28Å; I296-Y369 HydrophobicContact CG2-CG 4.49Å; P297-Y369 HydrophobicContact CB-CD1 4.49Å; P297-Y369 HydrophobicContact CB-CE1 3.8Å; P297-Y369 HydrophobicContact CB-CE2 4.34Å; P297-Y369 HydrophobicContact CG-CE2 4.4Å; Y301-Y369 HydrophobicContact CD1-CE1 4.49Å; Y301-Y369 VanDerWaalsContact O-CD1 3.22Å; Y301-Y369 WeakPolarHBondContact O-CD1 3.42Å; Y301-Y369 WeakPolarHBondContact O-CE1 3.42Å; I365-Y369 HydrophobicContact CD1-CE2 4.37Å; I365-Y369 HydrophobicContact CG1-CD2 4.45Å; I365-Y369 HydrophobicContact CG1-CE2 4.08Å; I365-Y369 WeakPolarHBondContact O-CD2 3.45Å; I365-Y369 PolarHBondContact O-N 3.22Å; F366-Y369 HydrophobicContact CD1-CD2 4.08Å; F366-Y369 HydrophobicContact CD1-CE2 4.45Å; Y369-W413 PolarHBondContact OH-NE1 3.32Å; Y369-L417 HydrophobicContact CD1-CD1 4.42Å; Y369-L417 HydrophobicContact CD2-CD1 4.26Å; Y369-L417 HydrophobicContact CE1-CD1 3.74Å; Y369-L417 HydrophobicContact CE1-CD2 3.95Å; Y369-L417 HydrophobicContact CE2-CD1 3.57Å; Y369-L417 WeakPolarHBondContact OH-CD1 3.49Å
370	L	71.7	Confident	73	Confident	51 Å²	51	39.7 Å²	39.7	27%	0.267	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	36.8	176.8	-58.8	171.6	0	0	0	113.5	V319 L328 F366 F367 I368	V319-L370 HydrophobicContact CG2-CD1 4.15Å; L328-L370 HydrophobicContact CD1-CD1 4.34Å; F366-L370 WeakPolarHBondContact O-CB 3.06Å; F366-L370 WeakPolarHBondContact O-CD1 3.44Å; F366-L370 WeakPolarHBondContact O-CG 3.34Å; F366-L370 PolarHBondContact O-N 3.05Å; F366-L370 VanDerWaalsContact O-N 3.16Å; F367-L370 CarbonylContact O-C 3.57Å; F367-L370 PolarHBondContact O-N 3.34Å; I368-L370 PolarHBondContact O-N 3.35Å
371	I	62.7	Low	72.8	Confident	157 Å²	157	42.2 Å²	42.2	81%	0.805	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.5	4	156.4	-48	149.9	0	0	0	117	F367 I368	F367-I371 PolarHBondContact O-N 2.73Å; F367-I371 VanDerWaalsContact O-N 3.12Å; I368-I371 PolarHBondContact O-N 2.77Å
372	I	38.7	Very low	72.7	Confident	96 Å²	96	43.2 Å²	43.2	49%	0.492	23%	0.228	S	C	.	.			trans	-80.5	149.2	-171.2	-60.5	-161.6	0	0	0	115.5	F367	F367-I372 HydrophobicContact CB-CB 4.31Å; F367-I372 HydrophobicContact CB-CD1 3.92Å; F367-I372 HydrophobicContact CB-CG1 4.14Å; F367-I372 HydrophobicContact CD2-CD1 4.14Å; F367-I372 HydrophobicContact CG-CD1 4.07Å; F367-I372 PolarHBondContact O-N 3.13Å
373	D	28.4	Very low	72.6	Confident	78 Å²	78	42.8 Å²	42.8	42%	0.417	23%	0.226	S	C	.	.			trans	-114.1	154.6	-171.8	-178.4	45.5	0	0	0	112.9	K425	D373-K425 HydrophobicContact CB-CD 3.75Å; D373-K425 VanDerWaalsContact CG-CD 3.41Å; D373-K425 WeakPolarHBondContact OD1-CD 3.38Å; D373-K425 VanDerWaalsContact OD1-CE 3.25Å; D373-K425 WeakPolarHBondContact OD1-CE 3.46Å; D373-K425 IonicContact OD1-NZ 2.82Å; D373-K425 PolarHBondContact OD1-NZ 2.75Å; D373-K425 WeakPolarHBondContact OD2-CE 3.28Å; D373-K425 IonicContact OD2-NZ 3.23Å; D373-K425 PolarHBondContact OD2-NZ 2.69Å
374	G	36.4	Very low	72.5	Confident	46 Å²	46	43.5 Å²	43.5	47%	0.474	23%	0.232	S	C	.	.	S	Bend	trans	106.9	-15.2	146.8	0	0	0	0	0	122	Y418	G374-Y418 WeakPolarHBondContact CA-OH 3.09Å; G374-Y418 PolarHBondContact N-OH 2.98Å
375	I	49.3	Very low	72.6	Confident	132 Å²	132	48.8 Å²	48.8	68%	0.677	25%	0.254	S	S	*	.	S	Bend	trans	-140.8	149.3	-172.2	-46.8	-178.7	0	0	0	112.9	V377 Y418	I375-V377 WeakPolarHBondContact O-CG2 3.37Å; I375-V377 PolarHBondContact O-N 3.3Å; I375-Y418 PolarHBondContact N-OH 3.31Å; I375-Y418 WeakPolarHBondContact O-CE2 3.39Å
376	I	57.4	Low	72.7	Confident	94 Å²	94	55.3 Å²	55.3	48%	0.482	29%	0.289	S	S	.	.			trans	-54.7	128.8	165.9	-63.7	173.7	0	0	0	109.6	P378 L410	I376-P378 WeakPolarHBondContact O-CD 3.27Å; I376-L410 HydrophobicContact CG2-CD2 3.67Å
377	V	69.9	Low	72.9	Confident	16 Å²	16	57.6 Å²	57.6	10%	0.097	30%	0.301	C	S	.	.			trans	-96.3	114.6	-169.4	-175.7	0	0	0	0	110.9	P364 I368 I375 Y418	P364-V377 HydrophobicContact CB-CG1 3.87Å; P364-V377 HydrophobicContact CG-CG1 3.5Å; I368-V377 HydrophobicContact CD1-CB 4.41Å; I368-V377 HydrophobicContact CD1-CG1 4.19Å; I368-V377 HydrophobicContact CD1-CG2 3.98Å; I368-V377 HydrophobicContact CG1-CG2 4.31Å; I375-V377 WeakPolarHBondContact O-CG2 3.37Å; I375-V377 PolarHBondContact O-N 3.3Å; V377-Y418 HydrophobicContact CG2-CD2 3.94Å; V377-Y418 HydrophobicContact CG2-CG 3.96Å
378	P	76.2	Confident	73.1	Confident	21 Å²	21	56.5 Å²	56.5	14%	0.136	30%	0.296	C	S	.	.			trans	-68.4	156.9	172.7	30.1	-33.7	0	0	0	110.3	P364 I376 Y380 Y381 P402	P364-P378 HydrophobicContact CG-CG 4.24Å; P364-P378 WeakPolarHBondContact CG-O 3.44Å; I376-P378 WeakPolarHBondContact O-CD 3.27Å; P378-Y380 PolarHBondContact O-N 2.91Å; P378-Y381 HydrophobicContact CG-CD2 4.33Å; P378-Y381 HydrophobicContact CG-CE2 3.62Å; P378-P402 HydrophobicContact CB-CB 4.06Å; P378-P402 HydrophobicContact CG-CB 4.03Å
379	Q	84.1	Confident	73.6	Confident	11 Å²	11	63.3 Å²	63.3	5%	0.051	32%	0.322	C	S	.	.	S	Bend	trans	-60.6	-46.4	-176.5	-166.1	-179.1	19.9	0	0	111.6	W363 S403 F411	W363-Q379 HydrophobicContact CE3-CG 4.43Å; W363-Q379 HydrophobicContact CH2-CG 4.31Å; W363-Q379 HydrophobicContact CZ3-CG 3.78Å; Q379-S403 PolarHBondContact N-OG 2.93Å; Q379-F411 HydrophobicContact CB-CB 3.94Å; Q379-F411 HydrophobicContact CB-CD1 4.11Å; Q379-F411 HydrophobicContact CB-CG 4.11Å; Q379-F411 HydrophobicContact CG-CB 4.11Å; Q379-F411 HydrophobicContact CG-CD1 3.78Å; Q379-F411 HydrophobicContact CG-CD2 4.16Å; Q379-F411 HydrophobicContact CG-CE1 4.14Å; Q379-F411 HydrophobicContact CG-CG 3.77Å
380	Y	87.4	Confident	74.2	Confident	13 Å²	13	66.9 Å²	66.9	5%	0.051	34%	0.34	C	S	.	.			trans	-153.3	168	178.5	56.6	-90.5	0	0	0	110.7	Y337 C361 Q362 P378 Y382 S403	Y337-Y380 AromaticContact CD2-CD1 3.54Å; Y337-Y380 HydrophobicContact CD2-CD1 3.54Å; Y337-Y380 AromaticContact CD2-CE1 3.32Å; Y337-Y380 HydrophobicContact CD2-CE1 3.32Å; Y337-Y380 HydrophobicContact CD2-CG 4.4Å; Y337-Y380 HydrophobicContact CE2-CD1 4.29Å; Y337-Y380 HydrophobicContact CE2-CE1 4.06Å; Y337-Y380 HydrophobicContact CG-CD1 4.17Å; Y337-Y380 AromaticContact CG-CE1 3.59Å; Y337-Y380 HydrophobicContact CG-CE1 3.59Å; Y337-Y380 AromaticContact CG-CZ 3.82Å; C361-Y380 HydrophobicContact CB-CD2 4.39Å; Q362-Y380 CarbonylContact O-C 3.46Å; P378-Y380 PolarHBondContact O-N 2.91Å; Y380-Y382 HydrophobicContact CD2-CD1 4.4Å; Y380-Y382 AromaticContact CE2-CD1 3.91Å; Y380-Y382 HydrophobicContact CE2-CD1 3.91Å; Y380-Y382 HydrophobicContact CE2-CG 4.32Å; Y380-S403 WeakPolarHBondContact O-CB 3.27Å; Y380-S403 PolarHBondContact O-N 2.94Å
381	Y	89.1	Confident	75	Confident	54 Å²	54	65.2 Å²	65.2	21%	0.212	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.5	163	-71.6	-100.8	0	0	0	108.8	Y326 C361 Q362 P364 P378 V401 P402	Y326-Y381 HydrophobicContact CD1-CD1 4.2Å; Y326-Y381 HydrophobicContact CD1-CE1 4.12Å; Y326-Y381 HydrophobicContact CG-CD1 4.14Å; Y326-Y381 HydrophobicContact CG-CE1 4.46Å; Y326-Y381 HydrophobicContact CG-CG 4.2Å; C361-Y381 CarbonylContact C-O 3.38Å; C361-Y381 WeakPolarHBondContact CA-O 3.45Å; Q362-Y381 PolarHBondContact N-O 2.95Å; Q362-Y381 PolarHBondContact O-N 2.81Å; P364-Y381 HydrophobicContact CB-CE2 4.25Å; P364-Y381 HydrophobicContact CG-CD2 4.28Å; P364-Y381 HydrophobicContact CG-CE2 4.03Å; P378-Y381 HydrophobicContact CG-CD2 4.33Å; P378-Y381 HydrophobicContact CG-CE2 3.62Å; Y381-V401 CarbonylContact C-O 3.59Å; Y381-V401 VanDerWaalsContact CA-O 3.27Å; Y381-V401 WeakPolarHBondContact CA-O 3.37Å; Y381-P402 HydrophobicContact CD1-CB 3.97Å; Y381-P402 HydrophobicContact CE1-CB 3.7Å; Y381-P402 HydrophobicContact CE1-CG 4.25Å
382	Y	90.6	Very high	76.2	Confident	21 Å²	21	63.1 Å²	63.1	8%	0.082	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	164.6	179.5	74.6	-81.2	0	0	0	111.1	D339 Y380 P384 F400 V401 K406	D339-Y382 HydrophobicContact CB-CD2 4.34Å; Y380-Y382 HydrophobicContact CD2-CD1 4.4Å; Y380-Y382 AromaticContact CE2-CD1 3.91Å; Y380-Y382 HydrophobicContact CE2-CD1 3.91Å; Y380-Y382 HydrophobicContact CE2-CG 4.32Å; Y382-P384 HydrophobicContact CE2-CG 4.3Å; Y382-F400 CarbonylContact O-C 3.08Å; Y382-F400 VanDerWaalsContact O-CA 3.32Å; Y382-F400 WeakPolarHBondContact O-CA 3.5Å; Y382-F400 WeakPolarHBondContact O-CB 3.39Å; Y382-V401 HydrophobicContact CD1-CB 4.43Å; Y382-V401 VanDerWaalsContact CD1-O 3.26Å; Y382-V401 WeakPolarHBondContact CD1-O 3.19Å; Y382-V401 HydrophobicContact CE1-CB 3.92Å; Y382-V401 HydrophobicContact CE1-CG1 3.82Å; Y382-V401 PolarHBondContact N-O 3.38Å; Y382-V401 PolarHBondContact O-N 3.43Å; Y382-K406 HydrophobicContact CD1-CD 4.29Å; Y382-K406 HydrophobicContact CE1-CD 3.75Å; Y382-K406 HydrophobicContact CE1-CG 4Å; Y382-K406 HydrophobicContact CE2-CD 4.2Å; Y382-K406 VanDerWaalsContact CE2-CE 3.48Å; Y382-K406 VanDerWaalsContact CZ-CE 3.44Å
383	L	89.9	Confident	78.6	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.016	32%	0.315	C	S	.	.			trans	-103.6	126.8	173.7	-170.9	66.5	0	0	0	109.8	D339 V359 D387 I388 E391 Q398 F400	D339-L383 WeakPolarHBondContact CB-O 3.4Å; V359-L383 HydrophobicContact CG1-CD2 4.09Å; L383-D387 HydrophobicContact CD1-CB 3.66Å; L383-D387 HydrophobicContact CG-CB 3.99Å; L383-I388 HydrophobicContact CD2-CB 4.48Å; L383-I388 HydrophobicContact CD2-CG1 3.9Å; L383-I388 HydrophobicContact CG-CG1 4.17Å; L383-E391 HydrophobicContact CD2-CB 3.48Å; L383-E391 VanDerWaalsContact CD2-CB 3.48Å; L383-E391 HydrophobicContact CD2-CG 3.85Å; L383-Q398 HydrophobicContact CD1-CB 3.69Å; L383-Q398 HydrophobicContact CD1-CG 4.46Å; L383-F400 HydrophobicContact CB-CD1 4.25Å; L383-F400 HydrophobicContact CB-CE1 4.08Å; L383-F400 HydrophobicContact CB-CE2 4.45Å; L383-F400 HydrophobicContact CB-CZ 4.17Å; L383-F400 HydrophobicContact CD1-CD2 4.12Å; L383-F400 HydrophobicContact CD1-CE2 4.19Å
384	P	89.9	Confident	81.4	Confident	25 Å²	25	68.7 Å²	68.7	16%	0.162	33%	0.329	C	S	.	.			trans	-61.2	148.9	174.8	-23.1	34.5	0	0	0	112.8	Y382 D386 D387 I388 V401	Y382-P384 HydrophobicContact CE2-CG 4.3Å; P384-D386 VanDerWaalsContact C-N 3.26Å; P384-D386 PolarHBondContact O-N 2.77Å; P384-D386 VanDerWaalsContact O-N 3.14Å; P384-D387 WeakPolarHBondContact CD-OD2 3.34Å; P384-D387 WeakPolarHBondContact CG-OD2 3.4Å; P384-D387 PolarHBondContact O-N 2.94Å; P384-D387 VanDerWaalsContact O-N 3.07Å; P384-I388 PolarHBondContact O-N 3.35Å; P384-V401 HydrophobicContact CG-CG2 3.75Å
385	K	88.6	Confident	83.7	Confident	126 Å²	126	71.7 Å²	71.7	55%	0.548	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-46.3	-44	179.5	-86.5	173	-168.9	-177.4	0	114.8	D339 D387 I388	D339-K385 HydrophobicContact CB-CG 4.03Å; D339-K385 WeakPolarHBondContact O-CE 3.31Å; D339-K385 WeakPolarHBondContact OD2-CG 3.36Å; D339-K385 PolarHBondContact OD2-N 3.21Å; K385-D387 VanDerWaalsContact C-N 3.31Å; K385-D387 PolarHBondContact O-N 2.81Å; K385-I388 WeakPolarHBondContact O-CB 3.38Å; K385-I388 PolarHBondContact O-N 3.27Å
386	D	90	Very high	85.4	Confident	141 Å²	141	68.6 Å²	68.6	75%	0.754	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-69.7	-30.3	-174.1	-53.8	-44.8	0	0	0	112.2	P384	P384-D386 VanDerWaalsContact C-N 3.26Å; P384-D386 PolarHBondContact O-N 2.77Å; P384-D386 VanDerWaalsContact O-N 3.14Å
387	D	90.8	Very high	86.9	Confident	49 Å²	49	66.4 Å²	66.4	26%	0.262	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-82	-18.6	-178.9	-62.4	-40.8	0	0	0	113.1	L383 P384 K385 Y389 H390 E391 Q398	L383-D387 HydrophobicContact CD1-CB 3.66Å; L383-D387 HydrophobicContact CG-CB 3.99Å; P384-D387 WeakPolarHBondContact CD-OD2 3.34Å; P384-D387 WeakPolarHBondContact CG-OD2 3.4Å; P384-D387 PolarHBondContact O-N 2.94Å; P384-D387 VanDerWaalsContact O-N 3.07Å; K385-D387 VanDerWaalsContact C-N 3.31Å; K385-D387 PolarHBondContact O-N 2.81Å; D387-Y389 VanDerWaalsContact C-N 3.32Å; D387-Y389 PolarHBondContact O-N 2.95Å; D387-H390 PolarHBondContact O-N 3.34Å; D387-E391 PolarHBondContact O-N 2.87Å; D387-Q398 HydrophobicContact CB-CB 4.36Å; D387-Q398 HydrophobicContact CB-CG 4.13Å
388	I	87.9	Confident	87.9	Confident	12 Å²	12	67.8 Å²	67.8	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-56	-41.3	-174.6	-76.3	175.6	0	0	0	112.9	L340 V359 L383 P384 K385 H390 R392	L340-I388 HydrophobicContact CD1-CD1 3.95Å; L340-I388 HydrophobicContact CD2-CD1 3.73Å; L340-I388 HydrophobicContact CG-CD1 3.61Å; V359-I388 HydrophobicContact CG1-CG1 4.27Å; V359-I388 HydrophobicContact CG1-CG2 4.16Å; L383-I388 HydrophobicContact CD2-CB 4.48Å; L383-I388 HydrophobicContact CD2-CG1 3.9Å; L383-I388 HydrophobicContact CG-CG1 4.17Å; P384-I388 PolarHBondContact O-N 3.35Å; K385-I388 WeakPolarHBondContact O-CB 3.38Å; K385-I388 PolarHBondContact O-N 3.27Å; I388-H390 VanDerWaalsContact C-N 3.33Å; I388-H390 PolarHBondContact O-N 2.74Å; I388-R392 WeakPolarHBondContact O-CB 3.16Å; I388-R392 WeakPolarHBondContact O-CG 3.3Å; I388-R392 PolarHBondContact O-N 3.12Å
389	Y	89	Confident	88.4	Confident	158 Å²	158	71 Å²	71	62%	0.62	36%	0.359	S	S	*	.	H	α-helix	trans	-65.6	-38.9	179.4	-179.8	-109.2	0	0	0	111.7	D387 N393	D387-Y389 VanDerWaalsContact C-N 3.32Å; D387-Y389 PolarHBondContact O-N 2.95Å; Y389-N393 WeakPolarHBondContact CE1-ND2 3.21Å; Y389-N393 WeakPolarHBondContact CE2-ND2 3.22Å; Y389-N393 WeakPolarHBondContact O-CB 3.28Å; Y389-N393 VanDerWaalsContact O-CG 3.28Å; Y389-N393 PolarHBondContact O-N 3.3Å; Y389-N393 VanDerWaalsContact O-N 3.17Å; Y389-N393 PolarHBondContact O-ND2 3.13Å; Y389-N393 VanDerWaalsContact O-ND2 3.11Å
390	H	89.4	Confident	88.6	Confident	101 Å²	101	70.9 Å²	70.9	47%	0.468	36%	0.358	S	S	.	.	H	α-helix	trans	-72.6	-41	-179.7	-62.5	-65.9	0	0	0	112.1	D387 I388 N393 R394 S397 Q398	D387-H390 PolarHBondContact O-N 3.34Å; I388-H390 VanDerWaalsContact C-N 3.33Å; I388-H390 PolarHBondContact O-N 2.74Å; H390-N393 PolarHBondContact O-N 2.83Å; H390-R394 PolarHBondContact O-N 3.36Å; H390-S397 PolarHBondContact O-OG 2.98Å; H390-Q398 HydrophobicContact CB-CG 4.15Å
391	E	88.9	Confident	88.6	Confident	15 Å²	15	71.3 Å²	71.3	7%	0.07	36%	0.362	C	S	.	.	H	α-helix	trans	-66	-41.2	175.7	-174.2	67	175.8	0	0	112.2	L383 D387 N393 R394 P395 G396 S397 Q398	L383-E391 HydrophobicContact CD2-CB 3.48Å; L383-E391 VanDerWaalsContact CD2-CB 3.48Å; L383-E391 HydrophobicContact CD2-CG 3.85Å; D387-E391 PolarHBondContact O-N 2.87Å; E391-N393 PolarHBondContact O-N 2.79Å; E391-R394 CarbonylContact O-C 3.56Å; E391-R394 PolarHBondContact O-N 3.31Å; E391-P395 VanDerWaalsContact O-CA 3.25Å; E391-P395 WeakPolarHBondContact O-CA 3.39Å; E391-P395 WeakPolarHBondContact O-CD 3.42Å; E391-G396 WeakPolarHBondContact OE1-CA 3.42Å; E391-G396 PolarHBondContact OE1-N 3.38Å; E391-G396 PolarHBondContact OE2-N 2.56Å; E391-S397 PolarHBondContact OE2-N 3.09Å; E391-S397 PolarHBondContact OE2-OG 3.04Å; E391-Q398 HydrophobicContact CB-CB 4.19Å; E391-Q398 HydrophobicContact CB-CG 3.75Å; E391-Q398 PolarHBondContact OE2-N 3.3Å
392	R	88.2	Confident	88.5	Confident	114 Å²	114	70.3 Å²	70.3	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-41.1	175.7	-77.8	178.7	174	168.7	1	112.6	L355 V359 I388 R394	L355-R392 PolarHBondContact O-NH2 2.88Å; V359-R392 HydrophobicContact CG1-CG 4.17Å; I388-R392 WeakPolarHBondContact O-CB 3.16Å; I388-R392 WeakPolarHBondContact O-CG 3.3Å; I388-R392 PolarHBondContact O-N 3.12Å; R392-R394 VanDerWaalsContact C-N 3.33Å
393	N	88.4	Confident	88.2	Confident	103 Å²	103	69.6 Å²	69.6	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-70.8	-28.7	177.6	-74.1	-28.9	0	0	0	113.1	Y389 H390 E391	Y389-N393 WeakPolarHBondContact CE1-ND2 3.21Å; Y389-N393 WeakPolarHBondContact CE2-ND2 3.22Å; Y389-N393 WeakPolarHBondContact O-CB 3.28Å; Y389-N393 VanDerWaalsContact O-CG 3.28Å; Y389-N393 PolarHBondContact O-N 3.3Å; Y389-N393 VanDerWaalsContact O-N 3.17Å; Y389-N393 PolarHBondContact O-ND2 3.13Å; Y389-N393 VanDerWaalsContact O-ND2 3.11Å; H390-N393 PolarHBondContact O-N 2.83Å; E391-N393 PolarHBondContact O-N 2.79Å
394	R	88	Confident	87.6	Confident	187 Å²	187	72.1 Å²	72.1	71%	0.706	38%	0.379	S	S	*	.	S	Bend	trans	-147	89.2	178.2	-171.7	178.9	-179.4	-177.4	0.9	110.2	H390 E391 R392 S397	H390-R394 PolarHBondContact O-N 3.36Å; E391-R394 CarbonylContact O-C 3.56Å; E391-R394 PolarHBondContact O-N 3.31Å; R392-R394 VanDerWaalsContact C-N 3.33Å; R394-S397 WeakPolarHBondContact O-CB 3.46Å; R394-S397 PolarHBondContact O-N 3.2Å; R394-S397 VanDerWaalsContact O-N 3.12Å; R394-S397 PolarHBondContact O-OG 3.32Å
395	P	85.8	Confident	87.1	Confident	109 Å²	109	77.8 Å²	77.8	71%	0.708	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	138.1	-178.6	-29	36.7	0	0	0	112.9	E391 S397	E391-P395 VanDerWaalsContact O-CA 3.25Å; E391-P395 WeakPolarHBondContact O-CA 3.39Å; E391-P395 WeakPolarHBondContact O-CD 3.42Å; P395-S397 VanDerWaalsContact C-N 3.35Å
396	G	84.3	Confident	86.6	Confident	68 Å²	68	76.2 Å²	76.2	70%	0.701	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	16.6	-173.3	0	0	0	0	0	114.7	E391	E391-G396 WeakPolarHBondContact OE1-CA 3.42Å; E391-G396 PolarHBondContact OE1-N 3.38Å; E391-G396 PolarHBondContact OE2-N 2.56Å
397	S	89	Confident	85.8	Confident	47 Å²	47	73.2 Å²	73.2	33%	0.329	38%	0.377	S	S	.	.			trans	-87.1	-28.4	176.2	62.7	0	0	0	0	113.1	H390 E391 R394 P395	H390-S397 PolarHBondContact O-OG 2.98Å; E391-S397 PolarHBondContact OE2-N 3.09Å; E391-S397 PolarHBondContact OE2-OG 3.04Å; R394-S397 WeakPolarHBondContact O-CB 3.46Å; R394-S397 PolarHBondContact O-N 3.2Å; R394-S397 VanDerWaalsContact O-N 3.12Å; R394-S397 PolarHBondContact O-OG 3.32Å; P395-S397 VanDerWaalsContact C-N 3.35Å
398	Q	90.6	Very high	85.1	Confident	46 Å²	46	76.6 Å²	76.6	22%	0.215	40%	0.402	C	S	.	.	S	Bend	trans	-99.4	166.1	-173.6	-54.1	-48.8	-45.1	0	0	113.6	L383 D387 H390 E391	L383-Q398 HydrophobicContact CD1-CB 3.69Å; L383-Q398 HydrophobicContact CD1-CG 4.46Å; D387-Q398 HydrophobicContact CB-CB 4.36Å; D387-Q398 HydrophobicContact CB-CG 4.13Å; H390-Q398 HydrophobicContact CB-CG 4.15Å; E391-Q398 HydrophobicContact CB-CB 4.19Å; E391-Q398 HydrophobicContact CB-CG 3.75Å; E391-Q398 PolarHBondContact OE2-N 3.3Å
399	T	87.6	Confident	84.7	Confident	89 Å²	89	76.9 Å²	76.9	55%	0.546	41%	0.406	S	S	.	.			trans	-110.3	114.3	178.2	-72.2	0	0	0	0	109.7
400	F	88.1	Confident	84.4	Confident	7 Å²	7	71 Å²	71	3%	0.031	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-71.5	145.4	177.9	-72.9	-128.7	0	0	0	110.4	Y326 Q362 Y382 L383	Y326-F400 HydrophobicContact CD2-CB 3.82Å; Y326-F400 HydrophobicContact CD2-CD2 4.46Å; Y326-F400 HydrophobicContact CD2-CG 4.27Å; Y326-F400 HydrophobicContact CE2-CB 3.91Å; Y326-F400 HydrophobicContact CE2-CD2 4.28Å; Y326-F400 HydrophobicContact CE2-CG 4.4Å; Q362-F400 HydrophobicContact CG-CD1 4.24Å; Q362-F400 HydrophobicContact CG-CE1 4.11Å; Q362-F400 VanDerWaalsContact NE2-CE1 3.3Å; Q362-F400 VanDerWaalsContact NE2-CE2 3.32Å; Y382-F400 CarbonylContact O-C 3.08Å; Y382-F400 VanDerWaalsContact O-CA 3.32Å; Y382-F400 WeakPolarHBondContact O-CA 3.5Å; Y382-F400 WeakPolarHBondContact O-CB 3.39Å; L383-F400 HydrophobicContact CB-CD1 4.25Å; L383-F400 HydrophobicContact CB-CE1 4.08Å; L383-F400 HydrophobicContact CB-CE2 4.45Å; L383-F400 HydrophobicContact CB-CZ 4.17Å; L383-F400 HydrophobicContact CD1-CD2 4.12Å; L383-F400 HydrophobicContact CD1-CE2 4.19Å
401	V	87.3	Confident	84.3	Confident	23 Å²	23	66.6 Å²	66.6	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.7	-175.5	177.6	0	0	0	0	109.9	Y381 Y382 P384 Q405	Y381-V401 CarbonylContact C-O 3.59Å; Y381-V401 VanDerWaalsContact CA-O 3.27Å; Y381-V401 WeakPolarHBondContact CA-O 3.37Å; Y382-V401 HydrophobicContact CD1-CB 4.43Å; Y382-V401 VanDerWaalsContact CD1-O 3.26Å; Y382-V401 WeakPolarHBondContact CD1-O 3.19Å; Y382-V401 HydrophobicContact CE1-CB 3.92Å; Y382-V401 HydrophobicContact CE1-CG1 3.82Å; Y382-V401 PolarHBondContact N-O 3.38Å; Y382-V401 PolarHBondContact O-N 3.43Å; P384-V401 HydrophobicContact CG-CG2 3.75Å; V401-Q405 HydrophobicContact CG1-CB 4.02Å; V401-Q405 VanDerWaalsContact CG1-CD 3.43Å; V401-Q405 HydrophobicContact CG1-CG 3.94Å
402	P	85.4	Confident	84.3	Confident	32 Å²	32	65.9 Å²	65.9	21%	0.208	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	145.7	178.3	28.8	-34.7	0	0	0	112.1	P378 Y381 S404 Q405	P378-P402 HydrophobicContact CB-CB 4.06Å; P378-P402 HydrophobicContact CG-CB 4.03Å; Y381-P402 HydrophobicContact CD1-CB 3.97Å; Y381-P402 HydrophobicContact CE1-CB 3.7Å; Y381-P402 HydrophobicContact CE1-CG 4.25Å; P402-S404 PolarHBondContact O-N 3.41Å; P402-Q405 HydrophobicContact CG-CG 4.49Å; P402-Q405 PolarHBondContact O-N 2.87Å; P402-Q405 VanDerWaalsContact O-N 3.09Å
403	S	85.7	Confident	84.4	Confident	6 Å²	6	61 Å²	61	4%	0.042	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-54.6	-25.7	179.6	69.7	0	0	0	0	114	Q379 Y380 Q405 K406 Q407	Q379-S403 PolarHBondContact N-OG 2.93Å; Y380-S403 WeakPolarHBondContact O-CB 3.27Å; Y380-S403 PolarHBondContact O-N 2.94Å; S403-Q405 PolarHBondContact O-N 3.03Å; S403-Q405 VanDerWaalsContact O-N 3.16Å; S403-K406 PolarHBondContact O-N 2.77Å; S403-Q407 PolarHBondContact O-N 3.17Å
404	S	77.2	Confident	84.3	Confident	57 Å²	57	56.1 Å²	56.1	40%	0.399	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-61.7	-17.2	177.9	54	0	0	0	0	114.8	P402 Q407	P402-S404 PolarHBondContact O-N 3.41Å; S404-Q407 WeakPolarHBondContact CA-O 3.38Å
405	Q	79.4	Confident	84.2	Confident	144 Å²	144	47.2 Å²	47.2	67%	0.673	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-76.6	-33.6	170.5	-67.7	-164.7	6.4	0	0	113	V401 P402 S403	V401-Q405 HydrophobicContact CG1-CB 4.02Å; V401-Q405 VanDerWaalsContact CG1-CD 3.43Å; V401-Q405 HydrophobicContact CG1-CG 3.94Å; P402-Q405 HydrophobicContact CG-CG 4.49Å; P402-Q405 PolarHBondContact O-N 2.87Å; P402-Q405 VanDerWaalsContact O-N 3.09Å; S403-Q405 PolarHBondContact O-N 3.03Å; S403-Q405 VanDerWaalsContact O-N 3.16Å
406	K	77.5	Confident	84.4	Confident	93 Å²	93	42 Å²	42	40%	0.404	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-44.5	174.6	-81	179.1	167.4	174.1	0	111.8	D339 Y382 S403	D339-K406 WeakPolarHBondContact OD1-CE 3.49Å; D339-K406 IonicContact OD1-NZ 2.78Å; D339-K406 PolarHBondContact OD1-NZ 2.92Å; Y382-K406 HydrophobicContact CD1-CD 4.29Å; Y382-K406 HydrophobicContact CE1-CD 3.75Å; Y382-K406 HydrophobicContact CE1-CG 4Å; Y382-K406 HydrophobicContact CE2-CD 4.2Å; Y382-K406 VanDerWaalsContact CE2-CE 3.48Å; Y382-K406 VanDerWaalsContact CZ-CE 3.44Å; S403-K406 PolarHBondContact O-N 2.77Å
407	Q	74.1	Confident	84.6	Confident	78 Å²	78	39 Å²	39	36%	0.364	22%	0.218	S	C	.	.			trans	-139.1	101.4	-176.4	-172.7	172.1	0.1	0	0	109.4	S76 S403 S404 A409	S76-Q407 PolarHBondContact OG-NE2 2.9Å; S403-Q407 PolarHBondContact O-N 3.17Å; S404-Q407 WeakPolarHBondContact CA-O 3.38Å; Q407-A409 HydrophobicContact CG-CB 4.15Å; Q407-A409 PolarHBondContact O-N 3.38Å
408	P	74.8	Confident	84.3	Confident	120 Å²	120	37.8 Å²	37.8	78%	0.779	21%	0.206	S	C	*	.			trans	-75.7	69.1	-179	31.1	-35.5	0	0	0	111.3
409	A	81.1	Confident	84	Confident	18 Å²	18	35.6 Å²	35.6	15%	0.149	20%	0.196	C	C	.	.			trans	-126.5	149.6	177.8	0	0	0	0	0	110.9	L74 S75 Q407	L74-A409 HydrophobicContact CB-CB 4.37Å; S75-A409 VanDerWaalsContact OG-CA 3.3Å; S75-A409 WeakPolarHBondContact OG-CA 3.42Å; S75-A409 WeakPolarHBondContact OG-CB 3.45Å; Q407-A409 HydrophobicContact CG-CB 4.15Å; Q407-A409 PolarHBondContact O-N 3.38Å
410	L	81.9	Confident	84	Confident	35 Å²	35	31.6 Å²	31.6	18%	0.183	17%	0.171	C	C	.	.			trans	-81.8	134.8	169.9	-58.3	172.9	0	0	0	109.3	Q59 Y63 L74 S75 I376 L412	Q59-L410 HydrophobicContact CB-CD1 3.89Å; Q59-L410 HydrophobicContact CG-CD1 4.07Å; Y63-L410 HydrophobicContact CE2-CD1 4.39Å; L74-L410 WeakPolarHBondContact CA-O 3.49Å; S75-L410 PolarHBondContact N-O 3.17Å; S75-L410 PolarHBondContact OG-N 3.01Å; I376-L410 HydrophobicContact CG2-CD2 3.67Å; L410-L412 HydrophobicContact CB-CD2 4.08Å
411	F	87.1	Confident	83.8	Confident	7 Å²	7	32.2 Å²	32.2	3%	0.031	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-90.4	110.1	171.9	170.5	-140.2	0	0	0	109.1	Q73 L74 I365 Q379 W413 G414 Q415	Q73-F411 HydrophobicContact CG-CD2 4.12Å; Q73-F411 HydrophobicContact CG-CE2 4.01Å; L74-F411 HydrophobicContact CD2-CB 4.21Å; L74-F411 HydrophobicContact CD2-CD2 4.42Å; I365-F411 HydrophobicContact CD1-CE1 3.88Å; I365-F411 HydrophobicContact CD1-CZ 4.28Å; Q379-F411 HydrophobicContact CB-CB 3.94Å; Q379-F411 HydrophobicContact CB-CD1 4.11Å; Q379-F411 HydrophobicContact CB-CG 4.11Å; Q379-F411 HydrophobicContact CG-CB 4.11Å; Q379-F411 HydrophobicContact CG-CD1 3.78Å; Q379-F411 HydrophobicContact CG-CD2 4.16Å; Q379-F411 HydrophobicContact CG-CE1 4.14Å; Q379-F411 HydrophobicContact CG-CG 3.77Å; F411-W413 HydrophobicContact CE2-CB 3.86Å; F411-W413 HydrophobicContact CE2-CE3 4.18Å; F411-W413 HydrophobicContact CZ-CB 3.92Å; F411-W413 HydrophobicContact CZ-CD2 4.09Å; F411-W413 AromaticContact CZ-CE3 3.68Å; F411-W413 HydrophobicContact CZ-CE3 3.68Å; F411-W413 HydrophobicContact CZ-CG 4.24Å; F411-W413 PolarHBondContact O-N 2.8Å; F411-G414 PolarHBondContact O-N 3.47Å; F411-Q415 PolarHBondContact O-N 3.1Å
412	L	88.8	Confident	83.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72.1	-36.7	-161.5	-56.7	-163.6	0	0	0	113	Q59 L60 Y63 F71 P72 Q73 L410 Q415 A416	Q59-L412 WeakPolarHBondContact O-CD2 3.22Å; L60-L412 HydrophobicContact CD2-CB 4.34Å; Y63-L412 HydrophobicContact CD2-CD1 4.22Å; Y63-L412 HydrophobicContact CD2-CD2 4.1Å; Y63-L412 HydrophobicContact CE2-CD2 4.38Å; Y63-L412 HydrophobicContact CG-CD1 4.22Å; F71-L412 HydrophobicContact CB-CD1 4.3Å; F71-L412 HydrophobicContact CD1-CD1 4.13Å; P72-L412 HydrophobicContact CG-CD1 4.01Å; P72-L412 WeakPolarHBondContact O-CD1 3.4Å; Q73-L412 PolarHBondContact O-N 3.3Å; L410-L412 HydrophobicContact CB-CD2 4.08Å; L412-Q415 PolarHBondContact O-N 2.89Å; L412-A416 WeakPolarHBondContact O-CB 3.09Å; L412-A416 PolarHBondContact O-N 3.32Å
413	W	90.5	Very high	83.5	Confident	12 Å²	12	29.7 Å²	29.7	5%	0.045	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-47.8	171.7	172.8	17.8	0	0	0	112.1	D85 Y88 M219 W220 I365 Y369 F411 Q415 A416 L417	D85-W413 HydrophobicContact CB-CB 4.39Å; D85-W413 VanDerWaalsContact OD1-CB 3.32Å; D85-W413 WeakPolarHBondContact OD1-CB 3.43Å; Y88-W413 AromaticContact CD1-CD1 3.85Å; Y88-W413 AromaticContact CD1-NE1 3.85Å; Y88-W413 AromaticContact CD2-CD1 3.21Å; Y88-W413 HydrophobicContact CD2-CD2 4.09Å; Y88-W413 AromaticContact CD2-CE2 3.81Å; Y88-W413 AromaticContact CD2-CG 3.78Å; Y88-W413 HydrophobicContact CD2-CG 3.78Å; Y88-W413 AromaticContact CD2-NE1 3.22Å; Y88-W413 AromaticContact CE1-NE1 3.78Å; Y88-W413 AromaticContact CE2-CD1 3.69Å; Y88-W413 HydrophobicContact CE2-CD2 4.23Å; Y88-W413 AromaticContact CE2-CE2 3.52Å; Y88-W413 HydrophobicContact CE2-CG 4.34Å; Y88-W413 AromaticContact CE2-CZ2 3.96Å; Y88-W413 HydrophobicContact CE2-CZ2 3.96Å; Y88-W413 AromaticContact CE2-NE1 3.13Å; Y88-W413 AromaticContact CG-CD1 3.31Å; Y88-W413 HydrophobicContact CG-CG 4.16Å; Y88-W413 AromaticContact CG-NE1 3.6Å; Y88-W413 AromaticContact CZ-NE1 3.44Å; M219-W413 HydrophobicContact CG-CH2 4.17Å; M219-W413 HydrophobicContact SD-CH2 3.86Å; M219-W413 HydrophobicContact SD-CZ2 4.38Å; W220-W413 HydrophobicContact CH2-CH2 4.15Å; W220-W413 HydrophobicContact CZ3-CH2 4.04Å; W220-W413 HydrophobicContact CZ3-CZ3 4.13Å; I365-W413 HydrophobicContact CD1-CD2 3.81Å; I365-W413 HydrophobicContact CD1-CE3 4.47Å; I365-W413 HydrophobicContact CD1-CG 3.96Å; I365-W413 HydrophobicContact CD1-CZ2 4.22Å; Y369-W413 PolarHBondContact OH-NE1 3.32Å; F411-W413 HydrophobicContact CE2-CB 3.86Å; F411-W413 HydrophobicContact CE2-CE3 4.18Å; F411-W413 HydrophobicContact CZ-CB 3.92Å; F411-W413 HydrophobicContact CZ-CD2 4.09Å; F411-W413 AromaticContact CZ-CE3 3.68Å; F411-W413 HydrophobicContact CZ-CE3 3.68Å; F411-W413 HydrophobicContact CZ-CG 4.24Å; F411-W413 PolarHBondContact O-N 2.8Å; W413-Q415 PolarHBondContact O-N 2.9Å; W413-A416 PolarHBondContact O-N 2.87Å; W413-L417 PolarHBondContact O-N 3.14Å; W413-L417 VanDerWaalsContact O-N 3.13Å
414	G	86.9	Confident	83.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.9	-46	176.5	0	0	0	0	0	112.4	I368 F411 L417 Y418	I368-G414 WeakPolarHBondContact CD1-O 3.34Å; F411-G414 PolarHBondContact O-N 3.47Å; G414-L417 PolarHBondContact O-N 2.97Å; G414-Y418 PolarHBondContact O-N 2.97Å
415	Q	85.9	Confident	83.6	Confident	1 Å²	1	34 Å²	34	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-70	-36.7	-179.4	-160.7	61.3	19.2	0	0	112.6	Q59 F411 L412 W413 Y418 I419	Q59-Q415 HydrophobicContact CB-CG 4.1Å; F411-Q415 PolarHBondContact O-N 3.1Å; L412-Q415 PolarHBondContact O-N 2.89Å; W413-Q415 PolarHBondContact O-N 2.9Å; Q415-Y418 WeakPolarHBondContact O-CB 3.44Å; Q415-Y418 PolarHBondContact O-N 2.87Å; Q415-I419 HydrophobicContact CG-CD1 4.32Å; Q415-I419 WeakPolarHBondContact O-CD1 3.44Å; Q415-I419 WeakPolarHBondContact O-CG1 3.35Å; Q415-I419 PolarHBondContact O-N 3.4Å
416	A	88.9	Confident	83.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-44.8	175.3	0	0	0	0	0	112.3	L60 Y88 A92 L412 W413 I419 I420	L60-A416 HydrophobicContact CD1-CB 4.31Å; L60-A416 HydrophobicContact CD2-CB 4.35Å; Y88-A416 WeakPolarHBondContact O-CB 3.41Å; A92-A416 HydrophobicContact CB-CB 3.79Å; L412-A416 WeakPolarHBondContact O-CB 3.09Å; L412-A416 PolarHBondContact O-N 3.32Å; W413-A416 PolarHBondContact O-N 2.87Å; A416-I419 PolarHBondContact O-N 3.34Å; A416-I420 WeakPolarHBondContact O-CG1 3.31Å; A416-I420 PolarHBondContact O-N 3.3Å
417	L	88	Confident	84	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-40.9	173.5	-72.7	173	0	0	0	112.4	Y88 Y301 I365 I368 Y369 W413 G414 I419 I420 A421	Y88-L417 HydrophobicContact CD1-CD2 3.86Å; Y88-L417 HydrophobicContact CD1-CG 4.22Å; Y88-L417 HydrophobicContact CE1-CD2 3.88Å; Y88-L417 HydrophobicContact CE1-CG 4.48Å; Y301-L417 HydrophobicContact CD1-CD2 4.41Å; Y301-L417 HydrophobicContact CE1-CD2 4.01Å; I365-L417 HydrophobicContact CD1-CD1 3.81Å; I365-L417 HydrophobicContact CG1-CD1 3.73Å; I368-L417 HydrophobicContact CD1-CB 4.11Å; I368-L417 HydrophobicContact CG2-CB 4.01Å; Y369-L417 HydrophobicContact CD1-CD1 4.42Å; Y369-L417 HydrophobicContact CD2-CD1 4.26Å; Y369-L417 HydrophobicContact CE1-CD1 3.74Å; Y369-L417 HydrophobicContact CE1-CD2 3.95Å; Y369-L417 HydrophobicContact CE2-CD1 3.57Å; Y369-L417 WeakPolarHBondContact OH-CD1 3.49Å; W413-L417 PolarHBondContact O-N 3.14Å; W413-L417 VanDerWaalsContact O-N 3.13Å; G414-L417 PolarHBondContact O-N 2.97Å; L417-I419 VanDerWaalsContact C-N 3.29Å; L417-I419 PolarHBondContact O-N 3.47Å; L417-I420 PolarHBondContact O-N 3.44Å; L417-I420 VanDerWaalsContact O-N 3.15Å; L417-A421 PolarHBondContact O-N 3.31Å
418	Y	83.9	Confident	84.5	Confident	21 Å²	21	28.1 Å²	28.1	8%	0.082	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-43.9	178.6	174.9	-108	0	0	0	111.1	M55 G374 I375 V377 G414 Q415 I420 A421 C422	M55-Y418 HydrophobicContact CE-CD1 3.52Å; M55-Y418 HydrophobicContact CE-CE1 3.36Å; M55-Y418 HydrophobicContact SD-CE1 4.44Å; G374-Y418 WeakPolarHBondContact CA-OH 3.09Å; G374-Y418 PolarHBondContact N-OH 2.98Å; I375-Y418 PolarHBondContact N-OH 3.31Å; I375-Y418 WeakPolarHBondContact O-CE2 3.39Å; V377-Y418 HydrophobicContact CG2-CD2 3.94Å; V377-Y418 HydrophobicContact CG2-CG 3.96Å; G414-Y418 PolarHBondContact O-N 2.97Å; Q415-Y418 WeakPolarHBondContact O-CB 3.44Å; Q415-Y418 PolarHBondContact O-N 2.87Å; Y418-I420 PolarHBondContact O-N 3.21Å; Y418-A421 PolarHBondContact O-N 3.43Å; Y418-C422 PolarHBondContact O-N 2.89Å; Y418-C422 PolarHBondContact O-SG 3.42Å; Y418-C422 VanDerWaalsContact O-SG 3.41Å; Y418-C422 PolarHBondContact OH-SG 3.16Å
419	I	84.1	Confident	85.1	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-46	174.3	-68.2	154.5	0	0	0	111.7	M55 I56 L60 Q415 A416 L417 A421 C422 L423	M55-I419 HydrophobicContact CB-CG1 4.45Å; M55-I419 HydrophobicContact CE-CD1 4.38Å; M55-I419 HydrophobicContact CE-CG1 3.5Å; M55-I419 VanDerWaalsContact CE-CG1 3.5Å; I56-I419 HydrophobicContact CD1-CG2 3.89Å; I56-I419 HydrophobicContact CG1-CD1 4.13Å; I56-I419 HydrophobicContact CG1-CG2 3.94Å; L60-I419 HydrophobicContact CD1-CD1 3.68Å; L60-I419 HydrophobicContact CG-CD1 4.07Å; Q415-I419 HydrophobicContact CG-CD1 4.32Å; Q415-I419 WeakPolarHBondContact O-CD1 3.44Å; Q415-I419 WeakPolarHBondContact O-CG1 3.35Å; Q415-I419 PolarHBondContact O-N 3.4Å; A416-I419 PolarHBondContact O-N 3.34Å; L417-I419 VanDerWaalsContact C-N 3.29Å; L417-I419 PolarHBondContact O-N 3.47Å; I419-A421 PolarHBondContact O-N 2.58Å; I419-C422 PolarHBondContact O-N 3.4Å; I419-L423 HydrophobicContact CG2-CD1 4.06Å; I419-L423 HydrophobicContact CG2-CG 4.5Å; I419-L423 WeakPolarHBondContact O-CG 3.43Å; I419-L423 PolarHBondContact O-N 2.87Å
420	I	86.8	Confident	85.3	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-43.2	177.9	-65.4	163.7	0	0	0	111	M91 A92 A95 Y301 A416 L417 Y418 L423 L424 I434	M91-I420 HydrophobicContact CB-CD1 4.17Å; A92-I420 HydrophobicContact CB-CD1 4.19Å; A92-I420 HydrophobicContact CB-CG1 4.12Å; A95-I420 HydrophobicContact CB-CG1 4.09Å; Y301-I420 HydrophobicContact CE1-CG2 4.48Å; A416-I420 WeakPolarHBondContact O-CG1 3.31Å; A416-I420 PolarHBondContact O-N 3.3Å; L417-I420 PolarHBondContact O-N 3.44Å; L417-I420 VanDerWaalsContact O-N 3.15Å; Y418-I420 PolarHBondContact O-N 3.21Å; I420-L423 PolarHBondContact O-N 3.27Å; I420-L424 HydrophobicContact CG2-CD1 4.11Å; I420-L424 WeakPolarHBondContact O-CG 3.11Å; I420-L424 PolarHBondContact O-N 3.03Å; I420-I434 HydrophobicContact CG2-CD1 3.78Å
421	A	84.4	Confident	85.4	Confident	20 Å²	20	27 Å²	27	17%	0.165	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-42.6	177.4	0	0	0	0	0	112.3	I368 L417 Y418 I419 L424 K425	I368-A421 HydrophobicContact CG2-CB 3.6Å; L417-A421 PolarHBondContact O-N 3.31Å; Y418-A421 PolarHBondContact O-N 3.43Å; I419-A421 PolarHBondContact O-N 2.58Å; A421-L424 PolarHBondContact O-N 3.01Å; A421-K425 WeakPolarHBondContact O-CB 3.41Å; A421-K425 PolarHBondContact O-N 2.75Å
422	C	82.6	Confident	85.2	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.02	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-47.9	173.5	-75.5	0	0	0	0	112.4	Y46 Y418 I419 L424 K425 D426	Y46-C422 HydrophobicContact CE1-CB 3.77Å; Y418-C422 PolarHBondContact O-N 2.89Å; Y418-C422 PolarHBondContact O-SG 3.42Å; Y418-C422 VanDerWaalsContact O-SG 3.41Å; Y418-C422 PolarHBondContact OH-SG 3.16Å; I419-C422 PolarHBondContact O-N 3.4Å; C422-L424 VanDerWaalsContact C-N 3.28Å; C422-L424 PolarHBondContact O-N 2.76Å; C422-K425 PolarHBondContact O-N 3.25Å; C422-D426 WeakPolarHBondContact O-CB 3.48Å; C422-D426 PolarHBondContact O-N 3.18Å
423	L	85.1	Confident	85.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-35.8	179	-68.9	171.4	0	0	0	112.5	L43 Y46 A95 L96 I419 I420 K427 L428 I429	L43-L423 HydrophobicContact CD2-CD2 4.27Å; Y46-L423 HydrophobicContact CD2-CD2 3.65Å; Y46-L423 HydrophobicContact CE2-CD2 4.01Å; Y46-L423 HydrophobicContact CG-CD2 3.99Å; A95-L423 HydrophobicContact CB-CD1 4.4Å; L96-L423 HydrophobicContact CB-CD1 4.12Å; L96-L423 HydrophobicContact CD1-CD1 4.13Å; L96-L423 HydrophobicContact CD1-CD2 3.85Å; I419-L423 HydrophobicContact CG2-CD1 4.06Å; I419-L423 HydrophobicContact CG2-CG 4.5Å; I419-L423 WeakPolarHBondContact O-CG 3.43Å; I419-L423 PolarHBondContact O-N 2.87Å; I420-L423 PolarHBondContact O-N 3.27Å; L423-K427 PolarHBondContact O-N 3.41Å; L423-L428 HydrophobicContact CD2-CB 4.23Å; L423-L428 HydrophobicContact CD2-CD1 3.91Å; L423-L428 PolarHBondContact O-N 3Å; L423-I429 HydrophobicContact CB-CD1 3.6Å; L423-I429 HydrophobicContact CB-CG1 3.77Å; L423-I429 HydrophobicContact CD1-CD1 4.31Å; L423-I429 PolarHBondContact O-N 3.24Å
424	L	83.7	Confident	85	Confident	52 Å²	52	28.7 Å²	28.7	27%	0.272	14%	0.144	S	C	.	.	H	α-helix	trans	-68.6	-48.5	173.2	-75.7	165.5	0	0	0	112.1	I420 A421 C422 D426 K427 I429 I431 I434	I420-L424 HydrophobicContact CG2-CD1 4.11Å; I420-L424 WeakPolarHBondContact O-CG 3.11Å; I420-L424 PolarHBondContact O-N 3.03Å; A421-L424 PolarHBondContact O-N 3.01Å; C422-L424 VanDerWaalsContact C-N 3.28Å; C422-L424 PolarHBondContact O-N 2.76Å; L424-D426 VanDerWaalsContact C-N 3.34Å; L424-D426 PolarHBondContact O-N 2.88Å; L424-K427 WeakPolarHBondContact O-CA 3.2Å; L424-K427 PolarHBondContact O-N 2.77Å; L424-K427 VanDerWaalsContact O-N 3.07Å; L424-I429 HydrophobicContact CD2-CD1 4.4Å; L424-I429 HydrophobicContact CD2-CG1 3.9Å; L424-I429 HydrophobicContact CG-CD1 4.14Å; L424-I429 HydrophobicContact CG-CG1 3.96Å; L424-I431 HydrophobicContact CD2-CG1 4Å; L424-I434 HydrophobicContact CD1-CD1 3.86Å; L424-I434 HydrophobicContact CD2-CD1 4.16Å; L424-I434 HydrophobicContact CG-CD1 4.29Å
425	K	81.2	Confident	84.9	Confident	100 Å²	100	28.7 Å²	28.7	44%	0.435	14%	0.144	S	C	.	.	H	α-helix	trans	-59	-46.1	179.2	166.7	176.7	149	-87.3	0	111.6	D373 A421 C422 K427	D373-K425 HydrophobicContact CB-CD 3.75Å; D373-K425 VanDerWaalsContact CG-CD 3.41Å; D373-K425 WeakPolarHBondContact OD1-CD 3.38Å; D373-K425 VanDerWaalsContact OD1-CE 3.25Å; D373-K425 WeakPolarHBondContact OD1-CE 3.46Å; D373-K425 IonicContact OD1-NZ 2.82Å; D373-K425 PolarHBondContact OD1-NZ 2.75Å; D373-K425 WeakPolarHBondContact OD2-CE 3.28Å; D373-K425 IonicContact OD2-NZ 3.23Å; D373-K425 PolarHBondContact OD2-NZ 2.69Å; A421-K425 WeakPolarHBondContact O-CB 3.41Å; A421-K425 PolarHBondContact O-N 2.75Å; C422-K425 PolarHBondContact O-N 3.25Å; K425-K427 PolarHBondContact O-N 2.94Å
426	D	82.3	Confident	85.1	Confident	41 Å²	41	29.4 Å²	29.4	22%	0.219	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	0.4	-179.9	-87.1	40.6	0	0	0	112.8	K42 C422 L424 L428	K42-D426 WeakPolarHBondContact CE-OD2 3.32Å; K42-D426 IonicContact NZ-OD2 2.74Å; K42-D426 PolarHBondContact NZ-OD2 2.87Å; C422-D426 WeakPolarHBondContact O-CB 3.48Å; C422-D426 PolarHBondContact O-N 3.18Å; L424-D426 VanDerWaalsContact C-N 3.34Å; L424-D426 PolarHBondContact O-N 2.88Å; D426-L428 HydrophobicContact CB-CD1 3.99Å; D426-L428 HydrophobicContact CB-CG 4.25Å; D426-L428 PolarHBondContact O-N 2.84Å
427	K	83	Confident	85	Confident	146 Å²	146	30.1 Å²	30.1	64%	0.635	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	19.5	174.9	-56.9	165.1	-170.9	165.3	0	114.3	Y31 L423 L424 K425 I429	Y31-K427 PolarHBondContact OH-O 3.06Å; L423-K427 PolarHBondContact O-N 3.41Å; L424-K427 WeakPolarHBondContact O-CA 3.2Å; L424-K427 PolarHBondContact O-N 2.77Å; L424-K427 VanDerWaalsContact O-N 3.07Å; K425-K427 PolarHBondContact O-N 2.94Å; K427-I429 VanDerWaalsContact C-N 3.3Å
428	L	84.6	Confident	84.9	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.026	16%	0.162	C	C	.	.	S	Bend	trans	-71	-32.3	175	-63.9	163.3	0	0	0	110.6	C39 K42 L43 Y46 A99 L423 D426	C39-L428 HydrophobicContact CB-CD2 3.83Å; K42-L428 HydrophobicContact CB-CD1 4Å; K42-L428 HydrophobicContact CB-CD2 4.34Å; K42-L428 HydrophobicContact CD-CD1 4.38Å; L43-L428 HydrophobicContact CD2-CB 4.24Å; L43-L428 HydrophobicContact CD2-CD1 4Å; L43-L428 HydrophobicContact CD2-CD2 4.17Å; L43-L428 HydrophobicContact CD2-CG 4.36Å; L43-L428 HydrophobicContact CG-CD2 4.45Å; Y46-L428 HydrophobicContact CD2-CD1 3.87Å; Y46-L428 HydrophobicContact CE2-CD1 3.52Å; A99-L428 HydrophobicContact CB-CB 4.43Å; L423-L428 HydrophobicContact CD2-CB 4.23Å; L423-L428 HydrophobicContact CD2-CD1 3.91Å; L423-L428 PolarHBondContact O-N 3Å; D426-L428 HydrophobicContact CB-CD1 3.99Å; D426-L428 HydrophobicContact CB-CG 4.25Å; D426-L428 PolarHBondContact O-N 2.84Å
429	I	87	Confident	85.1	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.159	C	C	.	.	S	Bend	trans	-122.8	161.8	165.8	67.8	-174.3	0	0	0	111.4	A95 A99 L423 L424 K427 D433 I434	A95-I429 HydrophobicContact CB-CD1 3.95Å; A95-I429 WeakPolarHBondContact O-CG2 3.28Å; A99-I429 HydrophobicContact CB-CG2 3.7Å; L423-I429 HydrophobicContact CB-CD1 3.6Å; L423-I429 HydrophobicContact CB-CG1 3.77Å; L423-I429 HydrophobicContact CD1-CD1 4.31Å; L423-I429 PolarHBondContact O-N 3.24Å; L424-I429 HydrophobicContact CD2-CD1 4.4Å; L424-I429 HydrophobicContact CD2-CG1 3.9Å; L424-I429 HydrophobicContact CG-CD1 4.14Å; L424-I429 HydrophobicContact CG-CG1 3.96Å; K427-I429 VanDerWaalsContact C-N 3.3Å; I429-D433 VanDerWaalsContact CA-OD2 3.26Å; I429-D433 WeakPolarHBondContact CA-OD2 3.28Å; I429-D433 HydrophobicContact CB-CB 4.4Å; I429-D433 WeakPolarHBondContact CB-OD2 3.3Å; I429-I434 HydrophobicContact CD1-CG2 3.93Å
430	L	84.9	Confident	85	Confident	66 Å²	66	34.5 Å²	34.5	35%	0.346	17%	0.171	S	C	.	.			trans	-112.8	160	171.4	-58.6	176.9	0	0	0	109.3	L29 S432 D433	L29-L430 HydrophobicContact CD1-CD2 4.44Å; L430-S432 WeakPolarHBondContact CB-OG 3.32Å; L430-S432 PolarHBondContact O-N 3.41Å; L430-S432 VanDerWaalsContact O-N 3.16Å; L430-D433 PolarHBondContact N-OD2 3.19Å; L430-D433 WeakPolarHBondContact O-CB 3.42Å; L430-D433 PolarHBondContact O-N 3.37Å
431	I	83.1	Confident	84.8	Confident	83 Å²	83	35.7 Å²	35.7	43%	0.426	18%	0.177	S	C	.	.	H	α-helix	trans	-55.3	-35.8	176.1	-60.1	174.5	0	0	0	111.1	L424 D433 I434 D435 H440	L424-I431 HydrophobicContact CD2-CG1 4Å; I431-D433 PolarHBondContact O-N 2.92Å; I431-D433 VanDerWaalsContact O-N 3.15Å; I431-I434 WeakPolarHBondContact O-CG1 3.32Å; I431-I434 PolarHBondContact O-N 3.44Å; I431-D435 HydrophobicContact CG2-CB 4.41Å; I431-D435 WeakPolarHBondContact O-CA 3.42Å; I431-D435 WeakPolarHBondContact O-CB 3.37Å; I431-D435 PolarHBondContact O-N 3.18Å; I431-H440 HydrophobicContact CG2-CB 4.38Å
432	S	83.8	Confident	84.6	Confident	30 Å²	30	36.5 Å²	36.5	21%	0.21	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-18.2	175.6	55.8	0	0	0	0	115.4	L430 P436	L430-S432 WeakPolarHBondContact CB-OG 3.32Å; L430-S432 PolarHBondContact O-N 3.41Å; L430-S432 VanDerWaalsContact O-N 3.16Å; S432-P436 VanDerWaalsContact O-CA 3.29Å; S432-P436 WeakPolarHBondContact O-CA 3.43Å
433	D	86.5	Confident	84.4	Confident	24 Å²	24	36.8 Å²	36.8	13%	0.128	18%	0.184	C	C	.	.	H	α-helix	trans	-85.2	-32.5	-177.2	-50.2	-21.6	0	0	0	111.6	W94 M98 K102 I429 L430 I431	W94-D433 WeakPolarHBondContact CZ2-O 3.35Å; M98-D433 HydrophobicContact CB-CB 4.27Å; K102-D433 WeakPolarHBondContact CE-OD1 3.45Å; K102-D433 WeakPolarHBondContact CE-OD2 3.48Å; K102-D433 IonicContact NZ-OD1 2.73Å; K102-D433 PolarHBondContact NZ-OD1 2.93Å; K102-D433 IonicContact NZ-OD2 2.83Å; K102-D433 PolarHBondContact NZ-OD2 2.8Å; I429-D433 VanDerWaalsContact CA-OD2 3.26Å; I429-D433 WeakPolarHBondContact CA-OD2 3.28Å; I429-D433 HydrophobicContact CB-CB 4.4Å; I429-D433 WeakPolarHBondContact CB-OD2 3.3Å; L430-D433 PolarHBondContact N-OD2 3.19Å; L430-D433 WeakPolarHBondContact O-CB 3.42Å; L430-D433 PolarHBondContact O-N 3.37Å; I431-D433 PolarHBondContact O-N 2.92Å; I431-D433 VanDerWaalsContact O-N 3.15Å
434	I	87.5	Confident	84	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-100.9	-19.9	179.2	59.4	178.6	0	0	0	112.4	A95 Q183 Y301 I420 L424 I429 I431	A95-I434 HydrophobicContact CB-CG2 3.7Å; Q183-I434 PolarHBondContact NE2-O 2.74Å; Y301-I434 HydrophobicContact CD2-CD1 4.36Å; Y301-I434 HydrophobicContact CE2-CD1 3.59Å; Y301-I434 HydrophobicContact CE2-CG1 4.03Å; I420-I434 HydrophobicContact CG2-CD1 3.78Å; L424-I434 HydrophobicContact CD1-CD1 3.86Å; L424-I434 HydrophobicContact CD2-CD1 4.16Å; L424-I434 HydrophobicContact CG-CD1 4.29Å; I429-I434 HydrophobicContact CD1-CG2 3.93Å; I431-I434 WeakPolarHBondContact O-CG1 3.32Å; I431-I434 PolarHBondContact O-N 3.44Å
435	D	86.5	Confident	83.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.			trans	-124.4	67.9	168.5	-178.8	39.4	0	0	0	110.5	Q183 I431 L437 Y438 R439 H440	Q183-D435 PolarHBondContact NE2-OD1 3.17Å; I431-D435 HydrophobicContact CG2-CB 4.41Å; I431-D435 WeakPolarHBondContact O-CA 3.42Å; I431-D435 WeakPolarHBondContact O-CB 3.37Å; I431-D435 PolarHBondContact O-N 3.18Å; D435-L437 PolarHBondContact O-N 2.77Å; D435-Y438 PolarHBondContact O-N 2.82Å; D435-Y438 VanDerWaalsContact OD2-C 3.31Å; D435-Y438 WeakPolarHBondContact OD2-CA 3.17Å; D435-R439 PolarHBondContact OD1-N 2.81Å; D435-R439 IonicContact OD1-NE 2.84Å; D435-R439 PolarHBondContact OD2-N 3.36Å; D435-H440 IonicContact OD2-CE1 2.71Å; D435-H440 IonicContact OD2-CG 2.61Å; D435-H440 PolarHBondContact OD2-N 3.23Å; D435-H440 IonicContact OD2-ND1 2.66Å; D435-H440 PolarHBondContact OD2-ND1 2.75Å
436	P	89	Confident	84	Confident	15 Å²	15	38.2 Å²	38.2	10%	0.097	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.2	177.9	28.4	-36.2	0	0	0	113.3	W94 Q183 T186 S432 Y438 F449	W94-P436 HydrophobicContact CH2-CG 4.16Å; W94-P436 HydrophobicContact CZ2-CG 4.49Å; Q183-P436 HydrophobicContact CB-CG 4.36Å; Q183-P436 WeakPolarHBondContact O-CG 3.42Å; T186-P436 HydrophobicContact CG2-CB 4.21Å; T186-P436 HydrophobicContact CG2-CG 4.39Å; S432-P436 VanDerWaalsContact O-CA 3.29Å; S432-P436 WeakPolarHBondContact O-CA 3.43Å; P436-Y438 WeakPolarHBondContact O-CD2 2.74Å; P436-F449 WeakPolarHBondContact O-CZ 3.41Å
437	L	86.7	Confident	83.8	Confident	15 Å²	15	39 Å²	39	8%	0.079	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.4	173.1	-59.9	177.9	0	0	0	113.2	V182 Q183 T186 D435 R439 R446 R452	V182-L437 HydrophobicContact CG1-CD1 3.85Å; V182-L437 HydrophobicContact CG1-CD2 4.25Å; Q183-L437 HydrophobicContact CG-CD1 3.79Å; Q183-L437 HydrophobicContact CG-CG 4.1Å; T186-L437 HydrophobicContact CG2-CD2 4.05Å; D435-L437 PolarHBondContact O-N 2.77Å; L437-R439 VanDerWaalsContact C-N 3.28Å; L437-R439 HydrophobicContact CB-CG 3.82Å; L437-R439 HydrophobicContact CD1-CG 4.48Å; L437-R439 PolarHBondContact O-N 3.15Å; L437-R446 WeakPolarHBondContact O-CD 3.48Å; L437-R452 VanDerWaalsContact CD2-NH2 3.33Å
438	Y	86.9	Confident	83.3	Confident	61 Å²	61	37.8 Å²	37.8	24%	0.239	20%	0.196	C	C	.	.			trans	56	36.6	-177	-60.3	-103.5	0	0	0	113.8	D435 P436 H440 L441 R446 P447 F449	D435-Y438 PolarHBondContact O-N 2.82Å; D435-Y438 VanDerWaalsContact OD2-C 3.31Å; D435-Y438 WeakPolarHBondContact OD2-CA 3.17Å; P436-Y438 WeakPolarHBondContact O-CD2 2.74Å; Y438-H440 AromaticContact CD1-CE1 3.62Å; Y438-H440 PolarHBondContact O-N 3.42Å; Y438-L441 HydrophobicContact CD1-CD1 4.26Å; Y438-L441 WeakPolarHBondContact O-CA 3.3Å; Y438-L441 WeakPolarHBondContact O-CB 3.44Å; Y438-L441 PolarHBondContact O-N 2.9Å; Y438-R446 WeakPolarHBondContact O-CG 3.4Å; Y438-R446 PolarHBondContact O-NE 3.16Å; Y438-P447 HydrophobicContact CD1-CG 4.24Å; Y438-P447 HydrophobicContact CD2-CG 3.78Å; Y438-P447 HydrophobicContact CE1-CG 4.26Å; Y438-P447 HydrophobicContact CE2-CG 3.83Å; Y438-P447 HydrophobicContact CG-CG 4.01Å; Y438-F449 HydrophobicContact CD2-CE2 4.34Å; Y438-F449 HydrophobicContact CD2-CZ 4.24Å; Y438-F449 HydrophobicContact CE2-CZ 4.16Å
439	R	87.1	Confident	82.5	Confident	4 Å²	4	41 Å²	41	2%	0.015	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.9	177.5	-60.1	-174.9	-55.9	161.8	6.9	113.3	F179 S247 P302 F304 H307 D435 L437 L441	F179-R439 VanDerWaalsContact CE2-NH2 3.3Å; S247-R439 WeakPolarHBondContact OG-CD 3.44Å; S247-R439 PolarHBondContact OG-NH1 3.24Å; P302-R439 PolarHBondContact O-NH2 3.16Å; F304-R439 HydrophobicContact CB-CB 4.2Å; F304-R439 VanDerWaalsContact CB-O 3.24Å; F304-R439 WeakPolarHBondContact CB-O 3.4Å; F304-R439 HydrophobicContact CD2-CB 4.16Å; H307-R439 PolarHBondContact NE2-O 3.24Å; D435-R439 PolarHBondContact OD1-N 2.81Å; D435-R439 IonicContact OD1-NE 2.84Å; D435-R439 PolarHBondContact OD2-N 3.36Å; L437-R439 VanDerWaalsContact C-N 3.28Å; L437-R439 HydrophobicContact CB-CG 3.82Å; L437-R439 HydrophobicContact CD1-CG 4.48Å; L437-R439 PolarHBondContact O-N 3.15Å; R439-L441 CarbonylContact C-O 3.53Å; R439-L441 PolarHBondContact O-N 2.76Å; R439-L441 VanDerWaalsContact O-N 3.14Å
440	H	81.7	Confident	81.4	Confident	54 Å²	54	50 Å²	50	25%	0.25	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21	167.1	65.5	-85.2	0	0	0	113.4	F304 I431 D435 Y438	F304-H440 HydrophobicContact CD1-CB 3.94Å; F304-H440 HydrophobicContact CD2-CB 4.13Å; F304-H440 HydrophobicContact CE1-CB 3.73Å; F304-H440 HydrophobicContact CE2-CB 3.93Å; F304-H440 HydrophobicContact CG-CB 4.12Å; F304-H440 HydrophobicContact CZ-CB 3.72Å; I431-H440 HydrophobicContact CG2-CB 4.38Å; D435-H440 IonicContact OD2-CE1 2.71Å; D435-H440 IonicContact OD2-CG 2.61Å; D435-H440 PolarHBondContact OD2-N 3.23Å; D435-H440 IonicContact OD2-ND1 2.66Å; D435-H440 PolarHBondContact OD2-ND1 2.75Å; Y438-H440 AromaticContact CD1-CE1 3.62Å; Y438-H440 PolarHBondContact O-N 3.42Å
441	L	82.7	Confident	80.2	Confident	28 Å²	28	50.2 Å²	50.2	15%	0.147	27%	0.269	C	S	.	.	S	Bend	trans	-94.8	144.9	167.4	-53.7	-179.1	0	0	0	110.9	L24 Y438 R439 Q445 R446	L24-L441 HydrophobicContact CD2-CD1 4.17Å; Y438-L441 HydrophobicContact CD1-CD1 4.26Å; Y438-L441 WeakPolarHBondContact O-CA 3.3Å; Y438-L441 WeakPolarHBondContact O-CB 3.44Å; Y438-L441 PolarHBondContact O-N 2.9Å; R439-L441 CarbonylContact C-O 3.53Å; R439-L441 PolarHBondContact O-N 2.76Å; R439-L441 VanDerWaalsContact O-N 3.14Å; L441-Q445 HydrophobicContact CB-CB 4.13Å; L441-Q445 HydrophobicContact CD1-CB 4.39Å; L441-Q445 WeakPolarHBondContact CD1-O 3.23Å; L441-R446 HydrophobicContact CB-CG 4.28Å; L441-R446 PolarHBondContact O-NE 3.44Å; L441-R446 PolarHBondContact O-NH2 3.19Å
442	P	80.3	Confident	79.4	Confident	38 Å²	38	48.2 Å²	48.2	25%	0.247	26%	0.256	C	S	.	.			trans	-52.8	145.9	163.4	-21.5	32.3	0	0	0	110.4	H307 C444 Q445	H307-P442 HydrophobicContact CB-CG 4.14Å; P442-C444 PolarHBondContact O-N 2.69Å; P442-Q445 PolarHBondContact O-N 3.44Å
443	A	79.7	Confident	78.4	Confident	9 Å²	9	48.5 Å²	48.5	7%	0.074	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-46.6	-41.6	-175.1	0	0	0	0	0	113.6	Q445 R446 Q457	A443-Q445 PolarHBondContact O-N 3.42Å; A443-R446 WeakPolarHBondContact O-CB 3.42Å; A443-R446 PolarHBondContact O-N 3.36Å; A443-R446 VanDerWaalsContact O-N 3.12Å; A443-Q457 CarbonylContact C-O 3.03Å; A443-Q457 WeakPolarHBondContact CB-O 3.33Å; A443-Q457 VanDerWaalsContact O-O 3.13Å
444	C	76.8	Confident	77.6	Confident	48 Å²	48	47.9 Å²	47.9	32%	0.324	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-72.7	2.8	-176.4	58.6	0	0	0	0	115.1	P442 Q457 L460	P442-C444 PolarHBondContact O-N 2.69Å; C444-Q457 WeakPolarHBondContact CA-O 3.46Å; C444-Q457 PolarHBondContact N-O 3.04Å; C444-L460 HydrophobicContact CB-CD2 4.05Å; C444-L460 HydrophobicContact CB-CG 4.2Å
445	Q	80.2	Confident	77	Confident	99 Å²	99	48.8 Å²	48.8	46%	0.463	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-119.7	0	176.5	-61.7	178.3	5.4	0	0	112.4	L441 P442 A443	L441-Q445 HydrophobicContact CB-CB 4.13Å; L441-Q445 HydrophobicContact CD1-CB 4.39Å; L441-Q445 WeakPolarHBondContact CD1-O 3.23Å; P442-Q445 PolarHBondContact O-N 3.44Å; A443-Q445 PolarHBondContact O-N 3.42Å
446	R	83	Confident	76.5	Confident	34 Å²	34	49.1 Å²	49.1	13%	0.128	27%	0.269	C	S	.	.	S	Bend	trans	-79.1	149.3	-177.5	-62	-177.6	-171.6	146.8	1.9	112.2	E246 L437 Y438 L441 A443	E246-R446 IonicContact OE1-CZ 2.73Å; E246-R446 IonicContact OE1-NH1 3.18Å; E246-R446 PolarHBondContact OE1-NH1 3.08Å; E246-R446 IonicContact OE1-NH2 3.58Å; E246-R446 PolarHBondContact OE1-NH2 3.04Å; L437-R446 WeakPolarHBondContact O-CD 3.48Å; Y438-R446 WeakPolarHBondContact O-CG 3.4Å; Y438-R446 PolarHBondContact O-NE 3.16Å; L441-R446 HydrophobicContact CB-CG 4.28Å; L441-R446 PolarHBondContact O-NE 3.44Å; L441-R446 PolarHBondContact O-NH2 3.19Å; A443-R446 WeakPolarHBondContact O-CB 3.42Å; A443-R446 PolarHBondContact O-N 3.36Å; A443-R446 VanDerWaalsContact O-N 3.12Å
447	P	79.5	Confident	75.8	Confident	59 Å²	59	49.2 Å²	49.2	38%	0.383	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-61.7	143.6	170.7	-22.2	34.7	0	0	0	112.3	Y438 F449	Y438-P447 HydrophobicContact CD1-CG 4.24Å; Y438-P447 HydrophobicContact CD2-CG 3.78Å; Y438-P447 HydrophobicContact CE1-CG 4.26Å; Y438-P447 HydrophobicContact CE2-CG 3.83Å; Y438-P447 HydrophobicContact CG-CG 4.01Å; P447-F449 HydrophobicContact CB-CE2 4.3Å; P447-F449 WeakPolarHBondContact O-CD2 3.42Å; P447-F449 PolarHBondContact O-N 3.27Å
448	K	72.4	Confident	74.7	Confident	120 Å²	120	49.5 Å²	49.5	52%	0.522	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-74.9	121.4	171.5	-62.9	-149.3	178.4	-148.3	0	110.5	D599	K448-D599 IonicContact NZ-OD1 3.77Å; K448-D599 PolarHBondContact NZ-OD1 3.28Å; K448-D599 IonicContact NZ-OD2 2.6Å; K448-D599 PolarHBondContact NZ-OD2 2.99Å
449	F	67.4	Low	73.6	Confident	73 Å²	73	49.8 Å²	49.8	32%	0.32	29%	0.285	S	S	.	.			trans	-93.1	114.3	173.8	-74.2	-85.5	0	0	0	110.6	T186 P436 Y438 P447 R452	T186-F449 HydrophobicContact CG2-CE1 4.36Å; P436-F449 WeakPolarHBondContact O-CZ 3.41Å; Y438-F449 HydrophobicContact CD2-CE2 4.34Å; Y438-F449 HydrophobicContact CD2-CZ 4.24Å; Y438-F449 HydrophobicContact CE2-CZ 4.16Å; P447-F449 HydrophobicContact CB-CE2 4.3Å; P447-F449 WeakPolarHBondContact O-CD2 3.42Å; P447-F449 PolarHBondContact O-N 3.27Å; F449-R452 HydrophobicContact CB-CG 4.46Å
450	H	63.5	Low	72.2	Confident	189 Å²	189	56.6 Å²	56.6	88%	0.875	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	133.6	173.4	-60.6	85.9	0	0	0	109.6
451	G	60.3	Low	71.4	Confident	70 Å²	70	57.5 Å²	57.5	72%	0.722	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	1.7	-179.8	0	0	0	0	0	116.3
452	R	66.2	Low	71.2	Confident	41 Å²	41	59.5 Å²	59.5	16%	0.155	35%	0.347	C	S	.	.			trans	-103.9	115.1	169.4	-71.3	-173.6	166.2	-122.4	4.1	111.7	T186 S247 G250 C251 L437 F449 T455	T186-R452 PolarHBondContact OG1-NH2 2.86Å; S247-R452 PolarHBondContact O-NH1 2.9Å; G250-R452 WeakPolarHBondContact O-CA 3.42Å; G250-R452 WeakPolarHBondContact O-CB 3.34Å; G250-R452 WeakPolarHBondContact O-CG 3.33Å; C251-R452 PolarHBondContact SG-NH2 3.03Å; L437-R452 VanDerWaalsContact CD2-NH2 3.33Å; F449-R452 HydrophobicContact CB-CG 4.46Å; R452-T455 WeakPolarHBondContact CB-OG1 3.41Å; R452-T455 PolarHBondContact O-OG1 3.4Å
453	G	63	Low	71.3	Confident	36 Å²	36	58.7 Å²	58.7	37%	0.371	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	155.8	169	0	0	0	0	0	111.9	G250 T455	G250-G453 VanDerWaalsContact CA-O 3.3Å; G250-G453 WeakPolarHBondContact CA-O 3.3Å; G453-T455 PolarHBondContact O-N 3.27Å
454	S	68.5	Low	71.8	Confident	11 Å²	11	60.4 Å²	60.4	8%	0.077	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.1	39.1	170.4	-56.9	0	0	0	0	116.5	N249 E653	N249-S454 PolarHBondContact ND2-O 2.94Å; S454-E653 WeakPolarHBondContact CB-OE2 3.4Å; S454-E653 PolarHBondContact OG-OE2 3.24Å
455	T	75	Confident	72.6	Confident	21 Å²	21	58.1 Å²	58.1	13%	0.129	33%	0.334	C	S	.	.			trans	-68.5	137.6	-173.7	-60.1	0	0	0	0	111.2	R452 G453 Q457 D599	R452-T455 WeakPolarHBondContact CB-OG1 3.41Å; R452-T455 PolarHBondContact O-OG1 3.4Å; G453-T455 PolarHBondContact O-N 3.27Å; T455-Q457 HydrophobicContact CG2-CG 4.06Å; T455-Q457 PolarHBondContact O-N 3.42Å; T455-D599 PolarHBondContact O-N 3.15Å; T455-D599 VanDerWaalsContact O-N 3.12Å
456	F	77.2	Confident	73.3	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.026	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-68.8	96.4	171.4	-73.8	-73.3	0	0	0	111.7	E246 N249 V268 H271 Q597 L598	E246-F456 HydrophobicContact CB-CD2 4.37Å; E246-F456 HydrophobicContact CG-CB 3.87Å; E246-F456 HydrophobicContact CG-CD2 4.06Å; E246-F456 HydrophobicContact CG-CG 4.03Å; N249-F456 HydrophobicContact CB-CD2 4.07Å; N249-F456 HydrophobicContact CB-CE2 3.7Å; V268-F456 HydrophobicContact CG1-CE1 4.12Å; V268-F456 HydrophobicContact CG1-CZ 4.22Å; V268-F456 HydrophobicContact CG2-CZ 4.24Å; H271-F456 HydrophobicContact CB-CZ 4.1Å; H271-F456 AromaticContact CE1-CE1 3.7Å; H271-F456 AromaticContact CE1-CZ 3.99Å; H271-F456 AromaticContact CG-CZ 3.72Å; H271-F456 AromaticContact ND1-CE1 3.36Å; H271-F456 WeakPolarHBondContact ND1-CE1 3.24Å; H271-F456 AromaticContact ND1-CZ 3.4Å; H271-F456 WeakPolarHBondContact ND1-CZ 3.3Å; F456-Q597 CarbonylContact C-O 3.59Å; F456-Q597 VanDerWaalsContact CA-O 3.27Å; F456-Q597 WeakPolarHBondContact CA-O 3.38Å; F456-Q597 HydrophobicContact CD1-CB 3.93Å; F456-Q597 HydrophobicContact CE1-CB 4.47Å; F456-L598 HydrophobicContact CD1-CD2 3.9Å; F456-L598 HydrophobicContact CE1-CD2 3.7Å; F456-L598 HydrophobicContact CG-CD2 4.49Å; F456-L598 HydrophobicContact CZ-CD2 4.15Å
457	Q	73.7	Confident	73.8	Confident	18 Å²	18	51.9 Å²	51.9	8%	0.084	31%	0.306	C	S	.	.			trans	-118.3	-36.3	175.1	-66.1	177.1	36	0	0	112	A443 C444 T455 Q597 D599	A443-Q457 CarbonylContact C-O 3.03Å; A443-Q457 WeakPolarHBondContact CB-O 3.33Å; A443-Q457 VanDerWaalsContact O-O 3.13Å; C444-Q457 WeakPolarHBondContact CA-O 3.46Å; C444-Q457 PolarHBondContact N-O 3.04Å; T455-Q457 HydrophobicContact CG2-CG 4.06Å; T455-Q457 PolarHBondContact O-N 3.42Å; Q457-Q597 PolarHBondContact N-O 3.43Å; Q457-D599 VanDerWaalsContact CD-OD2 3.31Å; Q457-D599 PolarHBondContact NE2-OD2 3.07Å; Q457-D599 PolarHBondContact OE1-OD2 3.41Å
458	G	64.5	Low	74.4	Confident	20 Å²	20	49.1 Å²	49.1	21%	0.206	29%	0.288	C	S	.	.			trans	58.2	-164.2	-173.1	0	0	0	0	0	113.5	Q597	G458-Q597 PolarHBondContact N-O 3.37Å
459	S	62.8	Low	75.4	Confident	68 Å²	68	43.7 Å²	43.7	48%	0.476	27%	0.265	S	S	.	.			trans	-138.3	150.5	-173.6	178.1	0	0	0	0	111.8	S461	S459-S461 VanDerWaalsContact C-N 3.32Å; S459-S461 WeakPolarHBondContact CB-O 3.35Å; S459-S461 PolarHBondContact OG-N 3.08Å; S459-S461 VanDerWaalsContact OG-N 3.1Å; S459-S461 PolarHBondContact OG-O 3.14Å
460	L	58	Low	76.6	Confident	146 Å²	146	40.2 Å²	40.2	76%	0.764	25%	0.25	S	C	*	.	S	Bend	trans	-81.2	-10.8	170.9	-69.1	170.4	0	0	0	113	C444	C444-L460 HydrophobicContact CB-CD2 4.05Å; C444-L460 HydrophobicContact CB-CG 4.2Å
461	S	65.9	Low	77.9	Confident	74 Å²	74	31.2 Å²	31.2	52%	0.517	21%	0.208	S	C	.	.	S	Bend	trans	-127.7	157.4	173.3	60.8	0	0	0	0	110.3	S459	S459-S461 VanDerWaalsContact C-N 3.32Å; S459-S461 WeakPolarHBondContact CB-O 3.35Å; S459-S461 PolarHBondContact OG-N 3.08Å; S459-S461 VanDerWaalsContact OG-N 3.1Å; S459-S461 PolarHBondContact OG-O 3.14Å
462	T	76.9	Confident	79.1	Confident	69 Å²	69	29.4 Å²	29.4	42%	0.423	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-56.9	132.2	178.9	55.3	0	0	0	0	110.5	R637	T462-R637 PolarHBondContact O-NH2 2.85Å; T462-R637 PolarHBondContact OG1-NE 3.4Å; T462-R637 PolarHBondContact OG1-NH2 2.97Å
463	P	83.7	Confident	80.2	Confident	21 Å²	21	27.6 Å²	27.6	14%	0.136	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-64.1	141.5	-180	29.7	-36.3	0	0	0	109.8	E593 W596	P463-E593 VanDerWaalsContact CD-O 3.3Å; P463-E593 WeakPolarHBondContact CD-O 3.17Å; P463-E593 HydrophobicContact CG-CG 4.27Å; P463-E593 VanDerWaalsContact CG-O 3.28Å; P463-E593 WeakPolarHBondContact CG-O 3.44Å; P463-W596 HydrophobicContact CG-CB 4.24Å
464	I	90	Very high	81.5	Confident	46 Å²	46	31.1 Å²	31.1	24%	0.236	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-87.2	118.1	170	-60.5	173.1	0	0	0	106.7	R637 Q639	I464-R637 WeakPolarHBondContact CA-O 3.34Å; I464-R637 HydrophobicContact CG1-CB 4.18Å; I464-Q639 HydrophobicContact CG2-CB 3.84Å
465	I	92.8	Very high	82.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.2	179.3	-51.4	-175.1	0	0	0	109.3	V467 L589 V592 E593 P602 V636 R637 I638 Q639	I465-V467 HydrophobicContact CG2-CG2 4.41Å; I465-L589 HydrophobicContact CB-CD2 4.38Å; I465-L589 HydrophobicContact CD1-CB 4.11Å; I465-L589 HydrophobicContact CD1-CD2 3.79Å; I465-L589 WeakPolarHBondContact CD1-O 3.39Å; I465-L589 HydrophobicContact CG2-CD2 3.77Å; I465-V592 HydrophobicContact CD1-CB 3.92Å; I465-V592 HydrophobicContact CD1-CG1 3.71Å; I465-V592 HydrophobicContact CG1-CG1 4.2Å; I465-E593 HydrophobicContact CD1-CB 4.28Å; I465-P602 HydrophobicContact CB-CG 4.37Å; I465-P602 HydrophobicContact CG1-CG 4.02Å; I465-P602 HydrophobicContact CG2-CG 4.29Å; I465-V636 HydrophobicContact CD1-CG1 3.64Å; I465-V636 HydrophobicContact CG1-CG1 4.07Å; I465-R637 PolarHBondContact N-O 2.69Å; I465-I638 CarbonylContact O-C 3.55Å; I465-I638 WeakPolarHBondContact O-CA 3.19Å; I465-Q639 PolarHBondContact O-N 2.85Å
466	Q	94.3	Very high	83	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.1	174.1	-69.3	177.5	-43.8	0	0	108.8	R601 P602 T603 Y604 Q639 L646 S649	Q466-R601 HydrophobicContact CG-CB 4.35Å; Q466-P602 WeakPolarHBondContact CB-O 3.32Å; Q466-P602 PolarHBondContact N-O 3.34Å; Q466-T603 HydrophobicContact CB-CG2 4.38Å; Q466-T603 CarbonylContact O-C 3.52Å; Q466-T603 WeakPolarHBondContact O-CA 3.41Å; Q466-T603 PolarHBondContact OE1-OG1 2.87Å; Q466-Y604 PolarHBondContact O-N 3.01Å; Q466-Q639 WeakPolarHBondContact CA-O 3.29Å; Q466-Q639 HydrophobicContact CG-CB 4.48Å; Q466-L646 HydrophobicContact CB-CD1 4.2Å; Q466-L646 HydrophobicContact CB-CD2 4.01Å; Q466-L646 HydrophobicContact CB-CG 4.46Å; Q466-L646 HydrophobicContact CG-CD2 3.99Å; Q466-S649 PolarHBondContact NE2-OG 2.75Å
467	V	93.5	Very high	83.7	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.4	-178.4	176.6	0	0	0	0	109.5	I465 M469 L589 Y604 L606 M628 I638 Q639 V640 G641	I465-V467 HydrophobicContact CG2-CG2 4.41Å; V467-M469 HydrophobicContact CG1-CE 4.37Å; V467-M469 HydrophobicContact CG1-CG 4Å; V467-L589 HydrophobicContact CG2-CD2 4.48Å; V467-Y604 WeakPolarHBondContact CA-O 3.27Å; V467-L606 HydrophobicContact CG1-CB 4.06Å; V467-M628 HydrophobicContact CG1-SD 4.48Å; V467-I638 HydrophobicContact CB-CG2 4.27Å; V467-I638 HydrophobicContact CG2-CG2 3.74Å; V467-Q639 PolarHBondContact N-O 3.14Å; V467-V640 HydrophobicContact CB-CG2 4.31Å; V467-V640 WeakPolarHBondContact O-CA 3.31Å; V467-G641 PolarHBondContact O-N 2.83Å
468	A	93.6	Very high	84.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.7	167.7	0	0	0	0	0	108.3	I470 L544 Y604 L606 L643 L646	A468-I470 HydrophobicContact CB-CD1 4.47Å; A468-L544 HydrophobicContact CB-CD2 4.16Å; A468-Y604 PolarHBondContact N-O 2.79Å; A468-L606 PolarHBondContact O-N 2.74Å; A468-L643 HydrophobicContact CB-CB 4.25Å; A468-L643 HydrophobicContact CB-CD1 4.13Å; A468-L646 HydrophobicContact CB-CD1 4.33Å
469	M	92.4	Very high	85.6	Confident	7 Å²	7	40.9 Å²	40.9	3%	0.034	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.2	177.9	-63.1	-175.4	167.9	0	0	109.6	V467 I485 T487 Q488 L606 L625 M628 V640	V467-M469 HydrophobicContact CG1-CE 4.37Å; V467-M469 HydrophobicContact CG1-CG 4Å; M469-I485 HydrophobicContact SD-CG2 3.85Å; M469-T487 HydrophobicContact CB-CG2 3.93Å; M469-T487 CarbonylContact O-C 3.53Å; M469-T487 VanDerWaalsContact O-CA 3.31Å; M469-T487 WeakPolarHBondContact O-CA 3.4Å; M469-T487 WeakPolarHBondContact O-CB 3.45Å; M469-Q488 PolarHBondContact O-N 3.34Å; M469-L606 HydrophobicContact CE-CD2 4.14Å; M469-L606 HydrophobicContact CG-CD2 4.23Å; M469-L625 HydrophobicContact CE-CD2 3.77Å; M469-L625 HydrophobicContact SD-CD2 4.14Å; M469-M628 HydrophobicContact CE-CB 3.8Å; M469-M628 HydrophobicContact CE-CG 4.46Å; M469-M628 HydrophobicContact CE-SD 3.89Å; M469-V640 HydrophobicContact CE-CG1 4.19Å; M469-V640 HydrophobicContact CE-CG2 3.75Å; M469-V640 HydrophobicContact CG-CG1 4.14Å; M469-V640 HydrophobicContact SD-CG1 3.93Å
470	I	92.2	Very high	86.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.8	-178	-50.1	-56.4	0	0	0	108.7	A468 Q488 P490 V493 I498 L606 L607 L608	A468-I470 HydrophobicContact CB-CD1 4.47Å; I470-Q488 CarbonylContact C-O 3.45Å; I470-Q488 VanDerWaalsContact CA-O 3.23Å; I470-Q488 WeakPolarHBondContact CA-O 3.35Å; I470-Q488 HydrophobicContact CD1-CB 4.43Å; I470-P490 HydrophobicContact CG2-CG 4.13Å; I470-V493 HydrophobicContact CD1-CG1 3.65Å; I470-I498 HydrophobicContact CD1-CD1 4.47Å; I470-I498 HydrophobicContact CG1-CD1 4.29Å; I470-I498 HydrophobicContact CG1-CG1 4.48Å; I470-L606 PolarHBondContact N-O 3.04Å; I470-L607 HydrophobicContact CB-CD1 4.18Å; I470-L607 HydrophobicContact CG2-CD1 4.04Å; I470-L608 PolarHBondContact O-N 3.26Å
471	A	90.7	Very high	88.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.2	173.3	0	0	0	0	0	109.9	S473 L476 Q477 T487 Q488 T489 P490 L608	A471-S473 PolarHBondContact O-N 3.44Å; A471-S473 VanDerWaalsContact O-N 3.17Å; A471-L476 HydrophobicContact CB-CB 4.3Å; A471-L476 HydrophobicContact CB-CD2 4.2Å; A471-L476 HydrophobicContact CB-CG 4.15Å; A471-Q477 HydrophobicContact CB-CB 4.18Å; A471-T487 HydrophobicContact CB-CG2 4.44Å; A471-Q488 PolarHBondContact N-O 3.05Å; A471-T489 WeakPolarHBondContact O-CA 3.25Å; A471-P490 WeakPolarHBondContact O-CD 3.44Å; A471-L608 WeakPolarHBondContact CA-O 3.27Å
472	E	87.1	Confident	89.5	Confident	32 Å²	32	35 Å²	35	15%	0.15	19%	0.191	C	C	.	.	S	Bend	trans	-63.9	-23	-174.3	76.5	-177.5	166	0	0	114.1	L608 K609 E610 E673 V674	E472-L608 PolarHBondContact N-O 3.36Å; E472-K609 VanDerWaalsContact CD-CA 3.48Å; E472-K609 HydrophobicContact CG-CB 4.49Å; E472-K609 WeakPolarHBondContact OE1-CA 3.01Å; E472-K609 WeakPolarHBondContact OE2-CB 3.35Å; E472-K609 WeakPolarHBondContact OE2-CG 3.45Å; E472-E610 PolarHBondContact OE1-N 2.88Å; E472-E673 CarbonylContact O-C 3.27Å; E472-E673 WeakPolarHBondContact O-CA 3.3Å; E472-E673 WeakPolarHBondContact O-CG 3.31Å; E472-V674 HydrophobicContact CB-CG2 4.01Å; E472-V674 HydrophobicContact CG-CB 4.28Å; E472-V674 HydrophobicContact CG-CG2 3.92Å; E472-V674 PolarHBondContact O-N 3.21Å
473	S	88.3	Confident	90.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.021	19%	0.191	C	C	.	.	S	Bend	trans	-134.9	152.2	-178.2	77.7	0	0	0	0	112.3	A471 K475 L476 Q477 E610	A471-S473 PolarHBondContact O-N 3.44Å; A471-S473 VanDerWaalsContact O-N 3.17Å; S473-K475 PolarHBondContact O-N 3.47Å; S473-K475 PolarHBondContact OG-N 3.17Å; S473-L476 PolarHBondContact O-N 3Å; S473-L476 WeakPolarHBondContact OG-CB 3.46Å; S473-L476 PolarHBondContact OG-N 2.86Å; S473-Q477 PolarHBondContact O-N 2.86Å; S473-E610 WeakPolarHBondContact CB-OE1 3.37Å; S473-E610 PolarHBondContact OG-OE1 3.19Å
474	Q	90.2	Very high	90.2	Very high	109 Å²	109	37.2 Å²	37.2	51%	0.509	20%	0.198	S	C	.	.	H	α-helix	trans	-58.1	-30.2	166.8	-92.9	168.5	73.6	0	0	113	T478 T489 E673	Q474-T478 VanDerWaalsContact O-CB 3.3Å; Q474-T478 WeakPolarHBondContact O-CB 3.22Å; Q474-T478 PolarHBondContact O-N 3.17Å; Q474-T478 PolarHBondContact O-OG1 2.92Å; Q474-T489 HydrophobicContact CG-CG2 4.09Å; Q474-E673 VanDerWaalsContact CG-OE1 3.24Å; Q474-E673 WeakPolarHBondContact CG-OE1 3.36Å; Q474-E673 PolarHBondContact N-OE1 3.1Å; Q474-E673 PolarHBondContact NE2-OE1 3.4Å
475	K	87.9	Confident	90.1	Very high	110 Å²	110	35.1 Å²	35.1	48%	0.478	19%	0.187	S	C	.	.	H	α-helix	trans	-63.3	-49.2	176.4	175.5	-174.8	167.9	-146.6	0	110.9	S473 T478 L479 E610 Y684	S473-K475 PolarHBondContact O-N 3.47Å; S473-K475 PolarHBondContact OG-N 3.17Å; K475-T478 PolarHBondContact O-N 2.62Å; K475-L479 PolarHBondContact O-N 3.01Å; K475-E610 WeakPolarHBondContact CD-OE1 3.37Å; K475-E610 WeakPolarHBondContact CE-OE2 3.29Å; K475-E610 IonicContact NZ-OE2 3.65Å; K475-E610 PolarHBondContact NZ-OE2 3.23Å; K475-Y684 WeakPolarHBondContact CE-OH 3.42Å; K475-Y684 PolarHBondContact NZ-OH 3.06Å; K475-Y684 VanDerWaalsContact NZ-OH 3.09Å
476	L	87	Confident	90	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-67.8	-40.6	177	-176.5	59.6	0	0	0	112.3	A471 S473 T478 L479 L480 L608 E610 V613 L614	A471-L476 HydrophobicContact CB-CB 4.3Å; A471-L476 HydrophobicContact CB-CD2 4.2Å; A471-L476 HydrophobicContact CB-CG 4.15Å; S473-L476 PolarHBondContact O-N 3Å; S473-L476 WeakPolarHBondContact OG-CB 3.46Å; S473-L476 PolarHBondContact OG-N 2.86Å; L476-T478 VanDerWaalsContact C-N 3.33Å; L476-T478 PolarHBondContact O-N 3.26Å; L476-L479 PolarHBondContact O-N 3.34Å; L476-L480 HydrophobicContact CD1-CD1 4.16Å; L476-L480 HydrophobicContact CD1-CG 4.29Å; L476-L480 HydrophobicContact CG-CD1 4.06Å; L476-L480 WeakPolarHBondContact O-CB 3.39Å; L476-L480 WeakPolarHBondContact O-CG 3.34Å; L476-L480 PolarHBondContact O-N 3.27Å; L476-L608 HydrophobicContact CD2-CB 4.12Å; L476-L608 WeakPolarHBondContact CD2-O 3.44Å; L476-E610 HydrophobicContact CB-CG 3.87Å; L476-E610 HydrophobicContact CD1-CG 4.32Å; L476-E610 HydrophobicContact CD2-CG 4.13Å; L476-E610 HydrophobicContact CG-CG 4.33Å; L476-V613 HydrophobicContact CD1-CB 4.03Å; L476-V613 HydrophobicContact CD1-CG1 3.9Å; L476-V613 HydrophobicContact CD1-CG2 4.44Å; L476-V613 HydrophobicContact CD2-CG2 4.45Å; L476-L614 HydrophobicContact CD1-CD2 4.22Å
477	Q	91.7	Very high	90	Very high	33 Å²	33	40.4 Å²	40.4	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-56.6	-47.7	171.5	173.5	176	58.9	0	0	111.4	A471 S473 L480 S481 T487 T489	A471-Q477 HydrophobicContact CB-CB 4.18Å; S473-Q477 PolarHBondContact O-N 2.86Å; Q477-L480 PolarHBondContact O-N 3.43Å; Q477-S481 WeakPolarHBondContact O-CB 3.27Å; Q477-S481 PolarHBondContact O-N 3.18Å; Q477-T487 WeakPolarHBondContact CG-OG1 3.11Å; Q477-T487 PolarHBondContact NE2-O 3.04Å; Q477-T489 HydrophobicContact CB-CG2 4.31Å
478	T	90.6	Very high	90.1	Very high	82 Å²	82	40.7 Å²	40.7	50%	0.503	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-46.7	-179.3	-58.9	0	0	0	0	110.6	Q474 K475 L476 L480 S481 T482	Q474-T478 VanDerWaalsContact O-CB 3.3Å; Q474-T478 WeakPolarHBondContact O-CB 3.22Å; Q474-T478 PolarHBondContact O-N 3.17Å; Q474-T478 PolarHBondContact O-OG1 2.92Å; K475-T478 PolarHBondContact O-N 2.62Å; L476-T478 VanDerWaalsContact C-N 3.33Å; L476-T478 PolarHBondContact O-N 3.26Å; T478-L480 PolarHBondContact O-N 2.87Å; T478-S481 WeakPolarHBondContact O-CB 3.36Å; T478-S481 PolarHBondContact O-N 2.98Å; T478-S481 PolarHBondContact O-OG 3.46Å; T478-T482 PolarHBondContact O-N 3.07Å
479	L	88.3	Confident	90.1	Very high	55 Å²	55	40.7 Å²	40.7	29%	0.288	22%	0.221	S	C	.	.	H	α-helix	trans	-57.9	-51.9	176.6	-177.7	71.4	0	0	0	111.9	K475 L476 S481 T482 Y483 L614 F618	K475-L479 PolarHBondContact O-N 3.01Å; L476-L479 PolarHBondContact O-N 3.34Å; L479-S481 PolarHBondContact O-N 3.34Å; L479-T482 WeakPolarHBondContact O-CB 3.26Å; L479-T482 PolarHBondContact O-N 3.34Å; L479-T482 VanDerWaalsContact O-N 3.09Å; L479-T482 PolarHBondContact O-OG1 3.28Å; L479-Y483 HydrophobicContact CD1-CE2 4.21Å; L479-Y483 HydrophobicContact CG-CE2 4.36Å; L479-Y483 WeakPolarHBondContact O-CD2 3.15Å; L479-L614 HydrophobicContact CD2-CD2 3.27Å; L479-F618 HydrophobicContact CD2-CE2 4.03Å; L479-F618 HydrophobicContact CD2-CZ 4.38Å
480	L	88.4	Confident	90	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-31.6	-180	-71.9	173.1	0	0	0	112.4	L476 Q477 T478 T482 Y483 G484 I485 T487 L608 V613 F618 L625	L476-L480 HydrophobicContact CD1-CD1 4.16Å; L476-L480 HydrophobicContact CD1-CG 4.29Å; L476-L480 HydrophobicContact CG-CD1 4.06Å; L476-L480 WeakPolarHBondContact O-CB 3.39Å; L476-L480 WeakPolarHBondContact O-CG 3.34Å; L476-L480 PolarHBondContact O-N 3.27Å; Q477-L480 PolarHBondContact O-N 3.43Å; T478-L480 PolarHBondContact O-N 2.87Å; L480-T482 VanDerWaalsContact C-N 3.3Å; L480-T482 PolarHBondContact O-N 2.95Å; L480-Y483 PolarHBondContact O-N 3.36Å; L480-G484 PolarHBondContact O-N 3.44Å; L480-I485 CarbonylContact C-O 3.54Å; L480-I485 HydrophobicContact CB-CB 4.25Å; L480-I485 PolarHBondContact O-N 3.34Å; L480-T487 HydrophobicContact CB-CG2 4.46Å; L480-T487 HydrophobicContact CD1-CG2 3.83Å; L480-L608 HydrophobicContact CD1-CD1 3.68Å; L480-V613 HydrophobicContact CD2-CG1 4.3Å; L480-F618 HydrophobicContact CD2-CE2 4.12Å; L480-F618 HydrophobicContact CD2-CZ 4.41Å; L480-L625 HydrophobicContact CD2-CD1 3.73Å
481	S	91	Very high	90	Very high	67 Å²	67	46.3 Å²	46.3	47%	0.469	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-29.7	175.7	83	0	0	0	0	113.4	Q477 T478 L479 Y483 G484	Q477-S481 WeakPolarHBondContact O-CB 3.27Å; Q477-S481 PolarHBondContact O-N 3.18Å; T478-S481 WeakPolarHBondContact O-CB 3.36Å; T478-S481 PolarHBondContact O-N 2.98Å; T478-S481 PolarHBondContact O-OG 3.46Å; L479-S481 PolarHBondContact O-N 3.34Å; S481-Y483 PolarHBondContact O-N 2.85Å; S481-G484 WeakPolarHBondContact O-CA 3.4Å; S481-G484 PolarHBondContact O-N 3.44Å
482	T	89.7	Confident	90.1	Very high	97 Å²	97	49.2 Å²	49.2	60%	0.595	26%	0.262	S	S	*	.	H	α-helix	trans	-64.9	-28.3	177.5	70.3	0	0	0	0	112.7	T478 L479 L480 G484	T478-T482 PolarHBondContact O-N 3.07Å; L479-T482 WeakPolarHBondContact O-CB 3.26Å; L479-T482 PolarHBondContact O-N 3.34Å; L479-T482 VanDerWaalsContact O-N 3.09Å; L479-T482 PolarHBondContact O-OG1 3.28Å; L480-T482 VanDerWaalsContact C-N 3.3Å; L480-T482 PolarHBondContact O-N 2.95Å; T482-G484 VanDerWaalsContact C-N 3.31Å
483	Y	87.9	Confident	90.4	Very high	110 Å²	110	47.7 Å²	47.7	43%	0.431	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	9.3	173.3	-54.4	-82.1	0	0	0	112.7	L479 L480 S481 I485 F618 L622	L479-Y483 HydrophobicContact CD1-CE2 4.21Å; L479-Y483 HydrophobicContact CG-CE2 4.36Å; L479-Y483 WeakPolarHBondContact O-CD2 3.15Å; L480-Y483 PolarHBondContact O-N 3.36Å; S481-Y483 PolarHBondContact O-N 2.85Å; Y483-I485 VanDerWaalsContact C-N 3.34Å; Y483-I485 PolarHBondContact O-N 3.38Å; Y483-F618 AromaticContact CD2-CE1 3.89Å; Y483-F618 HydrophobicContact CD2-CE1 3.89Å; Y483-F618 AromaticContact CD2-CZ 3.62Å; Y483-F618 HydrophobicContact CD2-CZ 3.62Å; Y483-F618 HydrophobicContact CE1-CE1 4.16Å; Y483-F618 AromaticContact CE2-CE1 3.4Å; Y483-F618 HydrophobicContact CE2-CE1 3.4Å; Y483-F618 VanDerWaalsContact CE2-CE1 3.4Å; Y483-F618 AromaticContact CE2-CZ 3.37Å; Y483-F618 HydrophobicContact CE2-CZ 3.37Å; Y483-F618 HydrophobicContact CG-CE1 4.46Å; Y483-F618 HydrophobicContact CG-CZ 4.46Å; Y483-F618 AromaticContact CZ-CE1 3.55Å; Y483-L622 HydrophobicContact CD1-CD2 3.39Å; Y483-L622 HydrophobicContact CD2-CD1 4.49Å; Y483-L622 HydrophobicContact CD2-CD2 4.29Å; Y483-L622 HydrophobicContact CE1-CD2 4.03Å; Y483-L622 HydrophobicContact CG-CD1 4Å; Y483-L622 HydrophobicContact CG-CD2 3.54Å; Y483-L622 HydrophobicContact CG-CG 4.43Å
484	G	87.5	Confident	90.3	Very high	27 Å²	27	53 Å²	53	28%	0.278	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	23.6	180	0	0	0	0	0	114.5	L480 S481 T482 R629	L480-G484 PolarHBondContact O-N 3.44Å; S481-G484 WeakPolarHBondContact O-CA 3.4Å; S481-G484 PolarHBondContact O-N 3.44Å; T482-G484 VanDerWaalsContact C-N 3.31Å; G484-R629 VanDerWaalsContact O-CD 3.27Å; G484-R629 WeakPolarHBondContact O-CD 3.38Å; G484-R629 PolarHBondContact O-NE 2.85Å; G484-R629 PolarHBondContact O-NH1 3.24Å
485	I	87.7	Confident	90.3	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	29%	0.285	C	S	.	.			trans	-93.1	114.6	170.8	-56.4	-55.3	0	0	0	109	M469 L480 Y483 T487 L622 L625 V626 R629	M469-I485 HydrophobicContact SD-CG2 3.85Å; L480-I485 CarbonylContact C-O 3.54Å; L480-I485 HydrophobicContact CB-CB 4.25Å; L480-I485 PolarHBondContact O-N 3.34Å; Y483-I485 VanDerWaalsContact C-N 3.34Å; Y483-I485 PolarHBondContact O-N 3.38Å; I485-T487 HydrophobicContact CG2-CG2 4.21Å; I485-L622 HydrophobicContact CD1-CD1 4.42Å; I485-L622 HydrophobicContact CG1-CD1 3.7Å; I485-L625 HydrophobicContact CD1-CB 3.79Å; I485-L625 HydrophobicContact CG1-CB 3.88Å; I485-L625 HydrophobicContact CG1-CD1 4.49Å; I485-L625 HydrophobicContact CG2-CB 4.09Å; I485-L625 HydrophobicContact CG2-CD1 4.22Å; I485-V626 HydrophobicContact CD1-CG2 3.92Å; I485-R629 HydrophobicContact CD1-CB 4.33Å
486	T	90.8	Very high	90.5	Very high	104 Å²	104	47.5 Å²	47.5	64%	0.638	26%	0.264	S	S	*	.			trans	-87	117.7	178.7	-49	0	0	0	0	110.7
487	T	93.8	Very high	90.8	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.049	28%	0.276	C	S	.	.			trans	-118.1	171.1	172.5	67.5	0	0	0	0	110.7	M469 A471 Q477 L480 I485 L608	M469-T487 HydrophobicContact CB-CG2 3.93Å; M469-T487 CarbonylContact O-C 3.53Å; M469-T487 VanDerWaalsContact O-CA 3.31Å; M469-T487 WeakPolarHBondContact O-CA 3.4Å; M469-T487 WeakPolarHBondContact O-CB 3.45Å; A471-T487 HydrophobicContact CB-CG2 4.44Å; Q477-T487 WeakPolarHBondContact CG-OG1 3.11Å; Q477-T487 PolarHBondContact NE2-O 3.04Å; L480-T487 HydrophobicContact CB-CG2 4.46Å; L480-T487 HydrophobicContact CD1-CG2 3.83Å; I485-T487 HydrophobicContact CG2-CG2 4.21Å; T487-L608 HydrophobicContact CG2-CD1 4.06Å
488	Q	95	Very high	90.8	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.033	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-118.8	154.1	164.8	-69.4	178.6	-103.2	0	0	109.4	M469 I470 A471 Q492 V493 R642	M469-Q488 PolarHBondContact O-N 3.34Å; I470-Q488 CarbonylContact C-O 3.45Å; I470-Q488 VanDerWaalsContact CA-O 3.23Å; I470-Q488 WeakPolarHBondContact CA-O 3.35Å; I470-Q488 HydrophobicContact CD1-CB 4.43Å; A471-Q488 PolarHBondContact N-O 3.05Å; Q488-Q492 HydrophobicContact CB-CB 4.17Å; Q488-Q492 PolarHBondContact NE2-O 3.43Å; Q488-V493 HydrophobicContact CB-CG1 3.82Å; Q488-V493 HydrophobicContact CG-CG1 4.42Å; Q488-R642 VanDerWaalsContact OE1-CB 3.29Å
489	T	93.3	Very high	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.			trans	-86.5	166.3	165.7	68.8	0	0	0	0	111.4	A471 Q474 Q477 H491 Q492 V493 E673	A471-T489 WeakPolarHBondContact O-CA 3.25Å; Q474-T489 HydrophobicContact CG-CG2 4.09Å; Q477-T489 HydrophobicContact CB-CG2 4.31Å; T489-H491 VanDerWaalsContact C-N 3.25Å; T489-H491 PolarHBondContact O-N 3.27Å; T489-Q492 PolarHBondContact O-N 3.08Å; T489-Q492 VanDerWaalsContact OG1-CG 3.31Å; T489-Q492 WeakPolarHBondContact OG1-CG 3.31Å; T489-Q492 PolarHBondContact OG1-N 3.33Å; T489-V493 PolarHBondContact O-N 3.12Å; T489-E673 WeakPolarHBondContact CB-OE2 3.42Å; T489-E673 HydrophobicContact CG2-CG 4.38Å; T489-E673 PolarHBondContact OG1-OE2 3.2Å
490	P	91.7	Very high	90.6	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.058	24%	0.236	C	C	.	.	S	Bend	trans	-55.7	-37.8	175.5	-26.3	34.9	0	0	0	113.5	I470 A471 Q492 V493 V671	I470-P490 HydrophobicContact CG2-CG 4.13Å; A471-P490 WeakPolarHBondContact O-CD 3.44Å; P490-Q492 VanDerWaalsContact C-N 3.34Å; P490-Q492 PolarHBondContact O-N 2.71Å; P490-V493 WeakPolarHBondContact O-CG2 3.36Å; P490-V493 PolarHBondContact O-N 2.86Å; P490-V671 WeakPolarHBondContact CB-O 3.3Å; P490-V671 HydrophobicContact CG-CG1 3.95Å
491	H	90.7	Very high	90.4	Very high	117 Å²	117	43 Å²	43	54%	0.542	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-65.6	-37	175.1	-173.1	44.2	0	0	0	112.1	T489 V493 E494 E673	T489-H491 VanDerWaalsContact C-N 3.25Å; T489-H491 PolarHBondContact O-N 3.27Å; H491-V493 VanDerWaalsContact C-N 3.27Å; H491-V493 PolarHBondContact O-N 2.8Å; H491-E494 IonicContact CE1-OE1 2.69Å; H491-E494 IonicContact CE1-OE2 3.36Å; H491-E494 IonicContact CG-OE1 3.17Å; H491-E494 IonicContact ND1-OE1 3.36Å; H491-E494 PolarHBondContact ND1-OE1 2.78Å; H491-E494 IonicContact ND1-OE2 3.18Å; H491-E494 WeakPolarHBondContact O-CB 3.36Å; H491-E494 WeakPolarHBondContact O-CG 3.22Å; H491-E494 PolarHBondContact O-N 3.18Å; H491-E673 WeakPolarHBondContact CB-OE2 3.34Å
492	Q	93.2	Very high	90	Very high	61 Å²	61	43.8 Å²	43.8	29%	0.285	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-76.8	-4.1	-179.2	-66.1	170.7	17.3	0	0	115	Q488 T489 P490 Q644	Q488-Q492 HydrophobicContact CB-CB 4.17Å; Q488-Q492 PolarHBondContact NE2-O 3.43Å; T489-Q492 PolarHBondContact O-N 3.08Å; T489-Q492 VanDerWaalsContact OG1-CG 3.31Å; T489-Q492 WeakPolarHBondContact OG1-CG 3.31Å; T489-Q492 PolarHBondContact OG1-N 3.33Å; P490-Q492 VanDerWaalsContact C-N 3.34Å; P490-Q492 PolarHBondContact O-N 2.71Å; Q492-Q644 PolarHBondContact O-NE2 2.86Å
493	V	92.9	Very high	89.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-99.6	-7.9	172.4	-71	0	0	0	0	114.1	I470 Q488 T489 P490 H491 V496 I498 L643	I470-V493 HydrophobicContact CD1-CG1 3.65Å; Q488-V493 HydrophobicContact CB-CG1 3.82Å; Q488-V493 HydrophobicContact CG-CG1 4.42Å; T489-V493 PolarHBondContact O-N 3.12Å; P490-V493 WeakPolarHBondContact O-CG2 3.36Å; P490-V493 PolarHBondContact O-N 2.86Å; H491-V493 VanDerWaalsContact C-N 3.27Å; H491-V493 PolarHBondContact O-N 2.8Å; V493-V496 WeakPolarHBondContact O-CA 3.49Å; V493-V496 WeakPolarHBondContact O-CB 3.26Å; V493-V496 PolarHBondContact O-N 3.16Å; V493-I498 HydrophobicContact CG2-CD1 4.1Å; V493-I498 HydrophobicContact CG2-CG1 3.85Å; V493-L643 HydrophobicContact CB-CD2 4.13Å; V493-L643 HydrophobicContact CG1-CB 3.98Å; V493-L643 HydrophobicContact CG1-CD2 4.01Å
494	E	87.9	Confident	89.8	Confident	115 Å²	115	35 Å²	35	54%	0.537	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	140.9	173.8	-71	175.5	-149.4	0	0	111.9	H491 V496	H491-E494 IonicContact CE1-OE1 2.69Å; H491-E494 IonicContact CE1-OE2 3.36Å; H491-E494 IonicContact CG-OE1 3.17Å; H491-E494 IonicContact ND1-OE1 3.36Å; H491-E494 PolarHBondContact ND1-OE1 2.78Å; H491-E494 IonicContact ND1-OE2 3.18Å; H491-E494 WeakPolarHBondContact O-CB 3.36Å; H491-E494 WeakPolarHBondContact O-CG 3.22Å; H491-E494 PolarHBondContact O-N 3.18Å; E494-V496 VanDerWaalsContact C-N 3.31Å
495	P	90.5	Very high	89.8	Confident	97 Å²	97	34.1 Å²	34.1	63%	0.63	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	cis	-80.9	9	4.4	35.3	-38.1	0	0	0	114.9	Q497	P495-Q497 PolarHBondContact O-N 2.87Å
496	V	92.1	Very high	89.7	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118.6	177	-171.1	0	0	0	0	110	V493 E494 T542 L544 L643 L647	V493-V496 WeakPolarHBondContact O-CA 3.49Å; V493-V496 WeakPolarHBondContact O-CB 3.26Å; V493-V496 PolarHBondContact O-N 3.16Å; E494-V496 VanDerWaalsContact C-N 3.31Å; V496-T542 CarbonylContact C-O 3.54Å; V496-T542 WeakPolarHBondContact CA-O 3.15Å; V496-T542 HydrophobicContact CG1-CG2 4.1Å; V496-T542 HydrophobicContact CG2-CG2 4.15Å; V496-L544 HydrophobicContact CG1-CB 4.33Å; V496-L643 HydrophobicContact CB-CD2 4.07Å; V496-L643 HydrophobicContact CG1-CD2 3.69Å; V496-L643 HydrophobicContact CG1-CG 4.37Å; V496-L647 HydrophobicContact CG2-CD1 4.03Å; V496-L647 HydrophobicContact CG2-CD2 4.21Å
497	Q	91.6	Very high	89.6	Confident	56 Å²	56	29.9 Å²	29.9	26%	0.262	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.2	178.8	-58.7	-174.1	14.9	0	0	111.2	P495 T542 V543 L544 P670	P495-Q497 PolarHBondContact O-N 2.87Å; Q497-T542 PolarHBondContact N-O 2.68Å; Q497-V543 WeakPolarHBondContact O-CA 3.33Å; Q497-L544 PolarHBondContact O-N 3.16Å; Q497-P670 HydrophobicContact CB-CB 4.2Å
498	I	91.7	Very high	89.4	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.2	171.8	-54.2	-55.7	0	0	0	108.8	I470 V493 L544 Y546 L643 P670 V671	I470-I498 HydrophobicContact CD1-CD1 4.47Å; I470-I498 HydrophobicContact CG1-CD1 4.29Å; I470-I498 HydrophobicContact CG1-CG1 4.48Å; V493-I498 HydrophobicContact CG2-CD1 4.1Å; V493-I498 HydrophobicContact CG2-CG1 3.85Å; I498-L544 WeakPolarHBondContact CA-O 3.46Å; I498-L544 HydrophobicContact CD1-CB 4.03Å; I498-L544 HydrophobicContact CD1-CD2 4.12Å; I498-L544 HydrophobicContact CD1-CG 4.41Å; I498-Y546 HydrophobicContact CG2-CD1 3.98Å; I498-L643 HydrophobicContact CD1-CD2 4.09Å; I498-P670 WeakPolarHBondContact O-CA 3.1Å; I498-V671 HydrophobicContact CB-CB 4.26Å; I498-V671 HydrophobicContact CB-CG2 4.41Å; I498-V671 HydrophobicContact CG2-CB 4.29Å; I498-V671 HydrophobicContact CG2-CG2 4.01Å; I498-V671 PolarHBondContact O-N 3Å
499	W	89.8	Confident	89.1	Confident	4 Å²	4	32 Å²	32	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	156.5	-178.3	-74.2	11.3	0	0	0	112.1	Q503 V507 V538 V543 L544 C545 Y546 L668	W499-Q503 HydrophobicContact CB-CB 4.31Å; W499-Q503 HydrophobicContact CD2-CB 4.42Å; W499-Q503 HydrophobicContact CE3-CB 4.17Å; W499-V507 HydrophobicContact CH2-CG2 4.18Å; W499-V507 HydrophobicContact CZ3-CG2 3.78Å; W499-V538 HydrophobicContact CH2-CB 4.02Å; W499-V538 HydrophobicContact CH2-CG1 3.97Å; W499-V538 HydrophobicContact CH2-CG2 4.23Å; W499-V538 HydrophobicContact CZ3-CG1 4.41Å; W499-V538 HydrophobicContact CZ3-CG2 4.28Å; W499-V543 HydrophobicContact CB-CG1 3.89Å; W499-V543 HydrophobicContact CD2-CB 4.4Å; W499-V543 HydrophobicContact CD2-CG1 3.44Å; W499-V543 VanDerWaalsContact CD2-CG1 3.44Å; W499-V543 HydrophobicContact CD2-CG2 4.02Å; W499-V543 HydrophobicContact CE3-CG1 3.65Å; W499-V543 HydrophobicContact CE3-CG2 4.33Å; W499-V543 HydrophobicContact CG-CG1 3.56Å; W499-V543 HydrophobicContact CH2-CG2 3.97Å; W499-V543 HydrophobicContact CZ2-CG2 3.63Å; W499-V543 HydrophobicContact CZ3-CG1 4.29Å; W499-V543 HydrophobicContact CZ3-CG2 4.31Å; W499-L544 PolarHBondContact N-O 3.24Å; W499-C545 WeakPolarHBondContact O-CA 3.24Å; W499-Y546 WeakPolarHBondContact O-CD1 3.18Å; W499-Y546 WeakPolarHBondContact O-CE1 3.25Å; W499-Y546 PolarHBondContact O-N 3.3Å; W499-L668 HydrophobicContact CD2-CD2 4.49Å; W499-L668 HydrophobicContact CE3-CD2 4.24Å; W499-L668 HydrophobicContact CH2-CD1 3.58Å; W499-L668 HydrophobicContact CH2-CD2 3.96Å; W499-L668 HydrophobicContact CH2-CG 4.36Å; W499-L668 HydrophobicContact CZ2-CD1 3.83Å; W499-L668 HydrophobicContact CZ2-CD2 4.19Å; W499-L668 HydrophobicContact CZ2-CG 4.43Å; W499-L668 HydrophobicContact CZ3-CD1 4.34Å; W499-L668 HydrophobicContact CZ3-CD2 3.99Å
500	S	85.1	Confident	88.9	Confident	12 Å²	12	33.4 Å²	33.4	8%	0.084	17%	0.173	C	C	.	.			trans	-75	159.2	168.3	76.5	0	0	0	0	111.8	N502 Q503 L504 Y546	S500-N502 PolarHBondContact O-N 3.32Å; S500-N502 PolarHBondContact OG-N 3.47Å; S500-Q503 PolarHBondContact O-N 3.22Å; S500-Q503 WeakPolarHBondContact OG-CG 3.4Å; S500-Q503 PolarHBondContact OG-N 2.67Å; S500-L504 PolarHBondContact O-N 2.86Å; S500-Y546 VanDerWaalsContact CB-OH 3.29Å; S500-Y546 WeakPolarHBondContact CB-OH 3.38Å
501	S	84.1	Confident	88.8	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-38	173.1	71.2	0	0	0	0	111.9	L504 V505 L548 D551	S501-L504 PolarHBondContact O-N 3.49Å; S501-V505 WeakPolarHBondContact O-CG2 3.03Å; S501-V505 PolarHBondContact O-N 2.84Å; S501-L548 WeakPolarHBondContact OG-CD2 3.41Å; S501-D551 PolarHBondContact OG-OD2 2.88Å
502	N	82.4	Confident	88.8	Confident	84 Å²	84	28.3 Å²	28.3	45%	0.449	15%	0.152	S	C	.	.	H	α-helix	trans	-68.5	-34.2	-179.5	-76.5	-65.6	0	0	0	113.6	S500 V505 S506 D551	S500-N502 PolarHBondContact O-N 3.32Å; S500-N502 PolarHBondContact OG-N 3.47Å; N502-V505 PolarHBondContact O-N 3.42Å; N502-S506 WeakPolarHBondContact O-CB 3.39Å; N502-S506 PolarHBondContact O-N 3.05Å; N502-S506 PolarHBondContact O-OG 2.75Å; N502-D551 PolarHBondContact ND2-OD2 2.56Å
503	Q	86.3	Confident	88.8	Confident	24 Å²	24	30.2 Å²	30.2	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-43.7	173.3	-74.6	163.7	-12.4	0	0	111.2	W499 S500 S506 V507 L668 T669	W499-Q503 HydrophobicContact CB-CB 4.31Å; W499-Q503 HydrophobicContact CD2-CB 4.42Å; W499-Q503 HydrophobicContact CE3-CB 4.17Å; S500-Q503 PolarHBondContact O-N 3.22Å; S500-Q503 WeakPolarHBondContact OG-CG 3.4Å; S500-Q503 PolarHBondContact OG-N 2.67Å; Q503-S506 PolarHBondContact O-N 3.38Å; Q503-V507 PolarHBondContact O-N 3.17Å; Q503-V507 VanDerWaalsContact O-N 3.07Å; Q503-L668 HydrophobicContact CB-CD2 3.95Å; Q503-L668 HydrophobicContact CG-CD2 4.22Å; Q503-T669 PolarHBondContact NE2-O 2.75Å; Q503-T669 PolarHBondContact NE2-OG1 2.77Å; Q503-T669 VanDerWaalsContact NE2-OG1 3.15Å
504	L	87.7	Confident	88.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-42.8	175.5	-172.7	68.3	0	0	0	111.7	S500 S501 S506 V507 F508 I527 Y536 C545 L655	S500-L504 PolarHBondContact O-N 2.86Å; S501-L504 PolarHBondContact O-N 3.49Å; L504-S506 VanDerWaalsContact C-N 3.26Å; L504-S506 PolarHBondContact O-N 2.65Å; L504-V507 PolarHBondContact O-N 3.48Å; L504-F508 HydrophobicContact CD1-CD2 4.1Å; L504-F508 HydrophobicContact CD1-CE2 3.88Å; L504-F508 HydrophobicContact CD2-CE2 4.25Å; L504-F508 HydrophobicContact CG-CD2 3.9Å; L504-F508 HydrophobicContact CG-CE2 3.89Å; L504-F508 WeakPolarHBondContact O-CD2 3.41Å; L504-F508 PolarHBondContact O-N 3.32Å; L504-I527 HydrophobicContact CB-CD1 4.08Å; L504-I527 HydrophobicContact CD2-CD1 3.6Å; L504-I527 HydrophobicContact CD2-CG2 4.24Å; L504-I527 HydrophobicContact CG-CD1 3.59Å; L504-Y536 HydrophobicContact CD1-CD1 4.28Å; L504-Y536 HydrophobicContact CD1-CD2 3.94Å; L504-Y536 HydrophobicContact CD1-CE1 4.44Å; L504-Y536 HydrophobicContact CD1-CE2 4.13Å; L504-Y536 HydrophobicContact CD1-CG 3.99Å; L504-Y536 HydrophobicContact CD2-CD2 3.95Å; L504-Y536 HydrophobicContact CD2-CE2 3.4Å; L504-Y536 HydrophobicContact CG-CE2 4.41Å; L504-C545 HydrophobicContact CD2-CB 4.28Å; L504-L655 HydrophobicContact CD1-CD1 3.95Å
505	V	88.4	Confident	89	Confident	8 Å²	8	30.6 Å²	30.6	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-53.1	-46.5	172.2	169.1	0	0	0	0	110.8	S501 N502 V507 F508 E509 I527	S501-V505 WeakPolarHBondContact O-CG2 3.03Å; S501-V505 PolarHBondContact O-N 2.84Å; N502-V505 PolarHBondContact O-N 3.42Å; V505-V507 PolarHBondContact O-N 2.74Å; V505-F508 CarbonylContact O-C 3.42Å; V505-F508 PolarHBondContact O-N 3.1Å; V505-F508 VanDerWaalsContact O-N 3.14Å; V505-E509 PolarHBondContact O-N 3.42Å; V505-I527 HydrophobicContact CG2-CB 4.47Å; V505-I527 HydrophobicContact CG2-CD1 3.91Å; V505-I527 HydrophobicContact CG2-CG1 3.84Å
506	S	85.9	Confident	89.1	Confident	16 Å²	16	35.5 Å²	35.5	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-71.7	-26.4	-175.1	-50.4	0	0	0	0	113.4	N502 Q503 L504 E509	N502-S506 WeakPolarHBondContact O-CB 3.39Å; N502-S506 PolarHBondContact O-N 3.05Å; N502-S506 PolarHBondContact O-OG 2.75Å; Q503-S506 PolarHBondContact O-N 3.38Å; L504-S506 VanDerWaalsContact C-N 3.26Å; L504-S506 PolarHBondContact O-N 2.65Å; S506-E509 WeakPolarHBondContact CA-OE2 3.34Å
507	V	88.2	Confident	89.2	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70	-47.4	165.6	170	0	0	0	0	110.8	W499 Q503 L504 V505 E509 N510 V538 L655 F657 L664 L668	W499-V507 HydrophobicContact CH2-CG2 4.18Å; W499-V507 HydrophobicContact CZ3-CG2 3.78Å; Q503-V507 PolarHBondContact O-N 3.17Å; Q503-V507 VanDerWaalsContact O-N 3.07Å; L504-V507 PolarHBondContact O-N 3.48Å; V505-V507 PolarHBondContact O-N 2.74Å; V507-E509 PolarHBondContact O-N 2.93Å; V507-N510 PolarHBondContact O-N 2.73Å; V507-V538 HydrophobicContact CG1-CG1 3.9Å; V507-V538 HydrophobicContact CG2-CG1 4.47Å; V507-L655 HydrophobicContact CG1-CD1 4.2Å; V507-F657 HydrophobicContact CG1-CE2 4.42Å; V507-F657 HydrophobicContact CG1-CZ 4.48Å; V507-L664 HydrophobicContact CG2-CD1 4.11Å; V507-L664 HydrophobicContact CG2-CD2 4.38Å; V507-L668 HydrophobicContact CG2-CD1 4.28Å; V507-L668 HydrophobicContact CG2-CD2 4.28Å
508	F	89.7	Confident	89.4	Confident	18 Å²	18	36.8 Å²	36.8	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-22.7	178.3	-90.5	-78.6	0	0	0	113.4	C265 L504 V505 N510 I511 R522 I527 Y536 L655 F657	C265-F508 HydrophobicContact CB-CE1 4.4Å; L504-F508 HydrophobicContact CD1-CD2 4.1Å; L504-F508 HydrophobicContact CD1-CE2 3.88Å; L504-F508 HydrophobicContact CD2-CE2 4.25Å; L504-F508 HydrophobicContact CG-CD2 3.9Å; L504-F508 HydrophobicContact CG-CE2 3.89Å; L504-F508 WeakPolarHBondContact O-CD2 3.41Å; L504-F508 PolarHBondContact O-N 3.32Å; V505-F508 CarbonylContact O-C 3.42Å; V505-F508 PolarHBondContact O-N 3.1Å; V505-F508 VanDerWaalsContact O-N 3.14Å; F508-N510 PolarHBondContact O-N 3.17Å; F508-N510 VanDerWaalsContact O-N 3.14Å; F508-I511 HydrophobicContact CD1-CG2 4.1Å; F508-I511 WeakPolarHBondContact O-CG2 3.27Å; F508-I511 PolarHBondContact O-N 3.06Å; F508-I511 VanDerWaalsContact O-N 3.09Å; F508-R522 VanDerWaalsContact O-CB 3.3Å; F508-R522 WeakPolarHBondContact O-CB 3.41Å; F508-I527 HydrophobicContact CD2-CD1 3.6Å; F508-I527 HydrophobicContact CE2-CD1 4.01Å; F508-I527 HydrophobicContact CG-CD1 4.43Å; F508-Y536 AromaticContact CE2-CE1 3.86Å; F508-Y536 HydrophobicContact CE2-CE1 3.86Å; F508-Y536 AromaticContact CZ-CE1 3.85Å; F508-Y536 HydrophobicContact CZ-CE1 3.85Å; F508-L655 HydrophobicContact CD2-CD1 4.31Å; F508-L655 HydrophobicContact CE1-CD2 3.99Å; F508-L655 HydrophobicContact CE2-CD1 3.81Å; F508-L655 HydrophobicContact CE2-CD2 4.27Å; F508-L655 HydrophobicContact CZ-CD1 4.02Å; F508-L655 HydrophobicContact CZ-CD2 3.63Å; F508-F657 HydrophobicContact CD1-CZ 4.42Å
509	E	89.2	Confident	89.6	Confident	43 Å²	43	36.8 Å²	36.8	20%	0.201	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-35.6	173.7	-73	-174.7	98.2	0	0	112.8	V505 S506 V507 I511 G521 R522 R524	V505-E509 PolarHBondContact O-N 3.42Å; S506-E509 WeakPolarHBondContact CA-OE2 3.34Å; V507-E509 PolarHBondContact O-N 2.93Å; E509-I511 VanDerWaalsContact C-N 3.33Å; E509-I511 PolarHBondContact O-N 3.46Å; E509-G521 CarbonylContact O-C 3.58Å; E509-G521 WeakPolarHBondContact O-CA 3.37Å; E509-R522 WeakPolarHBondContact CA-O 3.1Å; E509-R522 PolarHBondContact O-N 2.98Å; E509-R524 HydrophobicContact CG-CG 4.09Å; E509-R524 WeakPolarHBondContact OE1-CD 3.47Å; E509-R524 WeakPolarHBondContact OE1-CG 3.24Å; E509-R524 IonicContact OE1-CZ 2.92Å; E509-R524 IonicContact OE1-NE 3.53Å; E509-R524 PolarHBondContact OE1-NE 3.25Å; E509-R524 IonicContact OE1-NH2 3.81Å; E509-R524 IonicContact OE2-CZ 2.69Å; E509-R524 VanDerWaalsContact OE2-CZ 3.28Å; E509-R524 IonicContact OE2-NE 3.65Å; E509-R524 PolarHBondContact OE2-NE 3.05Å; E509-R524 VanDerWaalsContact OE2-NE 3.08Å; E509-R524 IonicContact OE2-NH2 3.9Å; E509-R524 PolarHBondContact OE2-NH2 3.46Å
510	N	87.7	Confident	89.8	Confident	29 Å²	29	40.4 Å²	40.4	16%	0.155	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.1	-176.2	-69.2	-83.4	0	0	0	113.8	V507 F508 G512 K513 L664	V507-N510 PolarHBondContact O-N 2.73Å; F508-N510 PolarHBondContact O-N 3.17Å; F508-N510 VanDerWaalsContact O-N 3.14Å; N510-G512 PolarHBondContact O-N 3.24Å; N510-K513 HydrophobicContact CB-CD 4.37Å; N510-K513 WeakPolarHBondContact O-CB 3.14Å; N510-K513 PolarHBondContact O-N 3.43Å; N510-K513 VanDerWaalsContact OD1-CD 3.24Å; N510-K513 WeakPolarHBondContact OD1-CD 3.37Å; N510-K513 PolarHBondContact OD1-NZ 2.72Å; N510-L664 WeakPolarHBondContact ND2-CD2 3.37Å
511	I	89.8	Confident	90.1	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	129.1	178.6	-160.8	178.9	0	0	0	110.9	Q202 F206 C265 F508 E509 K513 G521 R522 F657	Q202-I511 HydrophobicContact CG-CD1 4.47Å; Q202-I511 HydrophobicContact CG-CG1 4.05Å; F206-I511 HydrophobicContact CE1-CG2 4.27Å; F206-I511 WeakPolarHBondContact CE2-O 3.12Å; F206-I511 HydrophobicContact CZ-CG2 3.6Å; C265-I511 HydrophobicContact CB-CD1 3.68Å; F508-I511 HydrophobicContact CD1-CG2 4.1Å; F508-I511 WeakPolarHBondContact O-CG2 3.27Å; F508-I511 PolarHBondContact O-N 3.06Å; F508-I511 VanDerWaalsContact O-N 3.09Å; E509-I511 VanDerWaalsContact C-N 3.33Å; E509-I511 PolarHBondContact O-N 3.46Å; I511-K513 PolarHBondContact O-N 2.85Å; I511-G521 CarbonylContact O-C 3.6Å; I511-G521 WeakPolarHBondContact O-CA 3.3Å; I511-R522 HydrophobicContact CG2-CB 3.99Å; I511-R522 PolarHBondContact O-N 2.78Å; I511-F657 HydrophobicContact CB-CD1 4.27Å; I511-F657 HydrophobicContact CB-CD2 3.87Å; I511-F657 HydrophobicContact CB-CE1 4.03Å; I511-F657 HydrophobicContact CB-CE2 3.62Å; I511-F657 HydrophobicContact CB-CG 4.21Å; I511-F657 HydrophobicContact CB-CZ 3.71Å; I511-F657 HydrophobicContact CD1-CD1 3.72Å; I511-F657 HydrophobicContact CD1-CE1 3.51Å; I511-F657 HydrophobicContact CD1-CG 4.4Å; I511-F657 HydrophobicContact CD1-CZ 4.05Å; I511-F657 HydrophobicContact CG1-CD1 3.71Å; I511-F657 HydrophobicContact CG1-CD2 4.08Å; I511-F657 HydrophobicContact CG1-CE1 3.78Å; I511-F657 HydrophobicContact CG1-CE2 4.16Å; I511-F657 HydrophobicContact CG1-CG 3.88Å; I511-F657 HydrophobicContact CG1-CZ 4.02Å
512	G	91	Very high	90.5	Very high	12 Å²	12	40.2 Å²	40.2	12%	0.124	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	3.6	-175.1	0	0	0	0	0	115.2	N203 N510 N514	N203-G512 PolarHBondContact ND2-O 3.01Å; N510-G512 PolarHBondContact O-N 3.24Å; G512-N514 PolarHBondContact O-N 3.38Å
513	K	92.2	Very high	90.9	Very high	100 Å²	100	37.3 Å²	37.3	44%	0.435	20%	0.202	S	C	.	.			trans	-58.4	133.4	173.5	-176.5	167.6	174.2	177.2	0	110.3	N510 I511 T520	N510-K513 HydrophobicContact CB-CD 4.37Å; N510-K513 WeakPolarHBondContact O-CB 3.14Å; N510-K513 PolarHBondContact O-N 3.43Å; N510-K513 VanDerWaalsContact OD1-CD 3.24Å; N510-K513 WeakPolarHBondContact OD1-CD 3.37Å; N510-K513 PolarHBondContact OD1-NZ 2.72Å; I511-K513 PolarHBondContact O-N 2.85Å; K513-T520 WeakPolarHBondContact CB-O 3.48Å; K513-T520 WeakPolarHBondContact CD-O 3.47Å; K513-T520 VanDerWaalsContact CG-O 3.28Å; K513-T520 WeakPolarHBondContact CG-O 3.2Å
514	N	93	Very high	90.9	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-151.3	98.2	-179.8	-163.6	-62.3	0	0	0	112.3	D196 S199 G512 R516 M517 G518 L519	D196-N514 PolarHBondContact OD1-ND2 3.43Å; S199-N514 PolarHBondContact OG-ND2 2.8Å; G512-N514 PolarHBondContact O-N 3.38Å; N514-R516 PolarHBondContact O-N 2.88Å; N514-R516 WeakPolarHBondContact OD1-CB 3.46Å; N514-R516 PolarHBondContact OD1-N 2.89Å; N514-M517 HydrophobicContact CB-CE 3.85Å; N514-M517 PolarHBondContact O-N 2.82Å; N514-M517 PolarHBondContact OD1-N 3.45Å; N514-G518 PolarHBondContact O-N 2.95Å; N514-L519 HydrophobicContact CB-CB 4.18Å; N514-L519 PolarHBondContact N-O 3.36Å; N514-L519 PolarHBondContact O-N 3.01Å
515	P	92.2	Very high	90.7	Very high	116 Å²	116	44.8 Å²	44.8	75%	0.753	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-60.7	-24.5	179.9	-26.4	35.8	0	0	0	115.1	M517 G518	P515-M517 VanDerWaalsContact C-N 3.31Å; P515-M517 PolarHBondContact O-N 3.43Å; P515-G518 PolarHBondContact O-N 2.84Å
516	R	93.2	Very high	90.4	Very high	199 Å²	199	46.2 Å²	46.2	75%	0.751	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-71.3	-27.3	-179.1	-60.1	174.8	172.7	169.3	-1.4	112.9	D196 N514	D196-R516 IonicContact OD1-NH1 3.06Å; D196-R516 WeakPolarHBondContact OD2-CD 3.4Å; D196-R516 IonicContact OD2-CZ 3.73Å; D196-R516 IonicContact OD2-NH1 3.16Å; D196-R516 PolarHBondContact OD2-NH1 3.27Å; N514-R516 PolarHBondContact O-N 2.88Å; N514-R516 WeakPolarHBondContact OD1-CB 3.46Å; N514-R516 PolarHBondContact OD1-N 2.89Å
517	M	94.7	Very high	90.4	Very high	38 Å²	38	45.7 Å²	45.7	19%	0.187	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-108.7	7.1	178.4	-61.7	-176.2	-72.1	0	0	112.7	M129 A132 D196 F200 N514 P515 L519	M129-M517 HydrophobicContact CE-SD 3.67Å; A132-M517 HydrophobicContact CB-CB 4.11Å; D196-M517 HydrophobicContact CB-CE 4.16Å; D196-M517 WeakPolarHBondContact O-CE 3.23Å; F200-M517 HydrophobicContact CB-CE 4.14Å; F200-M517 HydrophobicContact CB-SD 4.43Å; F200-M517 HydrophobicContact CD2-SD 4.14Å; N514-M517 HydrophobicContact CB-CE 3.85Å; N514-M517 PolarHBondContact O-N 2.82Å; N514-M517 PolarHBondContact OD1-N 3.45Å; P515-M517 VanDerWaalsContact C-N 3.31Å; P515-M517 PolarHBondContact O-N 3.43Å; M517-L519 HydrophobicContact CB-CD1 4.25Å; M517-L519 HydrophobicContact CB-CG 4.03Å; M517-L519 HydrophobicContact CE-CD1 3.72Å; M517-L519 PolarHBondContact O-N 2.94Å; M517-L519 HydrophobicContact SD-CD1 4.47Å
518	G	95.2	Very high	90.2	Very high	50 Å²	50	46.2 Å²	46.2	52%	0.515	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	10.1	-174.7	0	0	0	0	0	115.2	N514 P515	N514-G518 PolarHBondContact O-N 2.95Å; P515-G518 PolarHBondContact O-N 2.84Å
519	L	95.6	Very high	90	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-78.6	124.2	-175.2	-62.1	176.8	0	0	0	111.4	A132 L135 E136 F200 N203 N514 M517	A132-L519 HydrophobicContact CB-CD2 4.23Å; L135-L519 HydrophobicContact CD2-CD2 4.39Å; L135-L519 HydrophobicContact CG-CD2 4.44Å; E136-L519 HydrophobicContact CB-CD2 4.3Å; E136-L519 VanDerWaalsContact OE2-CA 3.25Å; E136-L519 WeakPolarHBondContact OE2-CA 3.42Å; F200-L519 HydrophobicContact CD2-CD1 4.15Å; N203-L519 HydrophobicContact CB-CD1 4.25Å; N514-L519 HydrophobicContact CB-CB 4.18Å; N514-L519 PolarHBondContact N-O 3.36Å; N514-L519 PolarHBondContact O-N 3.01Å; M517-L519 HydrophobicContact CB-CD1 4.25Å; M517-L519 HydrophobicContact CB-CG 4.03Å; M517-L519 HydrophobicContact CE-CD1 3.72Å; M517-L519 PolarHBondContact O-N 2.94Å; M517-L519 HydrophobicContact SD-CD1 4.47Å
520	T	93.6	Very high	90.1	Very high	79 Å²	79	43.7 Å²	43.7	49%	0.485	23%	0.23	S	C	.	.			trans	-76.7	-28.1	-176.5	59.5	0	0	0	0	114.1	E136 K139 K513	E136-T520 VanDerWaalsContact CD-OG1 3.31Å; E136-T520 HydrophobicContact CG-CG2 4.49Å; E136-T520 WeakPolarHBondContact OE1-CB 3.31Å; E136-T520 VanDerWaalsContact OE1-CG2 3.24Å; E136-T520 WeakPolarHBondContact OE1-CG2 3.07Å; E136-T520 PolarHBondContact OE1-OG1 2.93Å; E136-T520 PolarHBondContact OE2-N 3.49Å; E136-T520 PolarHBondContact OE2-OG1 3.39Å; K139-T520 PolarHBondContact NZ-OG1 3.46Å; K139-T520 VanDerWaalsContact NZ-OG1 3.08Å; K513-T520 WeakPolarHBondContact CB-O 3.48Å; K513-T520 WeakPolarHBondContact CD-O 3.47Å; K513-T520 VanDerWaalsContact CG-O 3.28Å; K513-T520 WeakPolarHBondContact CG-O 3.2Å
521	G	92.1	Very high	90.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.			trans	107.6	-151.2	-170	0	0	0	0	0	113	K139 E509 I511	K139-G521 PolarHBondContact NZ-O 3.24Å; E509-G521 CarbonylContact O-C 3.58Å; E509-G521 WeakPolarHBondContact O-CA 3.37Å; I511-G521 CarbonylContact O-C 3.6Å; I511-G521 WeakPolarHBondContact O-CA 3.3Å
522	R	92.7	Very high	90.3	Very high	10 Å²	10	42.2 Å²	42.2	4%	0.038	22%	0.222	C	C	.	.	S	Bend	trans	-76.5	131.3	179.1	-170.4	-177.7	171	-97.8	9.3	109.7	F206 D267 F508 E509 I511 R525	F206-R522 HydrophobicContact CD1-CB 4.35Å; F206-R522 HydrophobicContact CD1-CG 4.04Å; F206-R522 HydrophobicContact CD2-CB 4.36Å; F206-R522 HydrophobicContact CE1-CB 3.89Å; F206-R522 HydrophobicContact CE1-CG 3.87Å; F206-R522 HydrophobicContact CE2-CB 3.91Å; F206-R522 HydrophobicContact CZ-CB 3.66Å; F206-R522 HydrophobicContact CZ-CG 4.19Å; D267-R522 IonicContact OD2-CZ 2.69Å; D267-R522 IonicContact OD2-NH2 2.71Å; D267-R522 PolarHBondContact OD2-NH2 2.98Å; F508-R522 VanDerWaalsContact O-CB 3.3Å; F508-R522 WeakPolarHBondContact O-CB 3.41Å; E509-R522 WeakPolarHBondContact CA-O 3.1Å; E509-R522 PolarHBondContact O-N 2.98Å; I511-R522 HydrophobicContact CG2-CB 3.99Å; I511-R522 PolarHBondContact O-N 2.78Å; R522-R525 PolarHBondContact NH1-O 2.75Å; R522-R525 PolarHBondContact NH2-O 2.83Å
523	P	90.7	Very high	90.4	Very high	23 Å²	23	41.6 Å²	41.6	15%	0.149	22%	0.216	C	C	.	.			trans	-64.9	156.4	173.5	-19	32.1	0	0	0	111.7	K139 R525	K139-P523 HydrophobicContact CB-CG 3.73Å; K139-P523 HydrophobicContact CD-CG 4.15Å; K139-P523 HydrophobicContact CG-CG 4.38Å; P523-R525 HydrophobicContact CB-CG 4.26Å; P523-R525 WeakPolarHBondContact O-CG 3.39Å; P523-R525 PolarHBondContact O-N 3.25Å
524	R	85.6	Confident	90.4	Very high	171 Å²	171	37 Å²	37	65%	0.645	20%	0.196	S	C	*	.	S	Bend	trans	-58.2	99.5	170.9	-67.8	-169.8	167.7	-142	-20.6	110.3	E509	E509-R524 HydrophobicContact CG-CG 4.09Å; E509-R524 WeakPolarHBondContact OE1-CD 3.47Å; E509-R524 WeakPolarHBondContact OE1-CG 3.24Å; E509-R524 IonicContact OE1-CZ 2.92Å; E509-R524 IonicContact OE1-NE 3.53Å; E509-R524 PolarHBondContact OE1-NE 3.25Å; E509-R524 IonicContact OE1-NH2 3.81Å; E509-R524 IonicContact OE2-CZ 2.69Å; E509-R524 VanDerWaalsContact OE2-CZ 3.28Å; E509-R524 IonicContact OE2-NE 3.65Å; E509-R524 PolarHBondContact OE2-NE 3.05Å; E509-R524 VanDerWaalsContact OE2-NE 3.08Å; E509-R524 IonicContact OE2-NH2 3.9Å; E509-R524 PolarHBondContact OE2-NH2 3.46Å
525	R	84.9	Confident	90.4	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.038	20%	0.195	C	C	.	.			trans	-135.4	121.4	-177.1	-68.4	172.5	-178.3	-176.8	0.7	107.5	K139 F206 E209 R522 P523	K139-R525 PolarHBondContact O-NH2 2.91Å; F206-R525 PolarHBondContact O-NH1 3.46Å; E209-R525 VanDerWaalsContact CG-NH1 3.28Å; E209-R525 WeakPolarHBondContact OE1-CD 3.35Å; E209-R525 IonicContact OE1-CZ 3.67Å; E209-R525 IonicContact OE1-NE 3.87Å; E209-R525 IonicContact OE1-NH1 3.78Å; E209-R525 PolarHBondContact OE1-NH1 3.32Å; R522-R525 PolarHBondContact NH1-O 2.75Å; R522-R525 PolarHBondContact NH2-O 2.83Å; P523-R525 HydrophobicContact CB-CG 4.26Å; P523-R525 WeakPolarHBondContact O-CG 3.39Å; P523-R525 PolarHBondContact O-N 3.25Å
526	P	82.4	Confident	90.3	Very high	37 Å²	37	31.3 Å²	31.3	24%	0.24	16%	0.16	C	C	.	.			trans	-62	141.4	-174.8	24.5	-35	0	0	0	112.1	L548 D788	P526-L548 HydrophobicContact CB-CD1 3.95Å; P526-L548 HydrophobicContact CB-CD2 4.35Å; P526-D788 HydrophobicContact CG-CB 4.39Å
527	I	85.8	Confident	90.1	Very high	6 Å²	6	27 Å²	27	3%	0.031	14%	0.143	C	C	.	.			trans	-90.6	124.9	-179.4	-65.3	169	0	0	0	108.5	L504 V505 F508 T532 L548	L504-I527 HydrophobicContact CB-CD1 4.08Å; L504-I527 HydrophobicContact CD2-CD1 3.6Å; L504-I527 HydrophobicContact CD2-CG2 4.24Å; L504-I527 HydrophobicContact CG-CD1 3.59Å; V505-I527 HydrophobicContact CG2-CB 4.47Å; V505-I527 HydrophobicContact CG2-CD1 3.91Å; V505-I527 HydrophobicContact CG2-CG1 3.84Å; F508-I527 HydrophobicContact CD2-CD1 3.6Å; F508-I527 HydrophobicContact CE2-CD1 4.01Å; F508-I527 HydrophobicContact CG-CD1 4.43Å; I527-T532 HydrophobicContact CG2-CG2 4.15Å; I527-L548 VanDerWaalsContact O-CD1 3.27Å; I527-L548 WeakPolarHBondContact O-CD1 3.4Å
528	G	83.8	Confident	89.7	Confident	10 Å²	10	25.2 Å²	25.2	10%	0.103	14%	0.135	C	C	.	.			trans	-84.4	-176.2	-173.9	0	0	0	0	0	113.8	D269 L530 G531 T532	D269-G528 VanDerWaalsContact OD2-C 3.24Å; D269-G528 VanDerWaalsContact OD2-CA 3.26Å; D269-G528 WeakPolarHBondContact OD2-CA 3.49Å; D269-G528 PolarHBondContact OD2-N 2.86Å; G528-L530 PolarHBondContact O-N 3.26Å; G528-G531 PolarHBondContact O-N 2.94Å; G528-T532 PolarHBondContact O-N 2.74Å; G528-T532 PolarHBondContact O-OG1 3.39Å
529	A	85.1	Confident	89	Confident	9 Å²	9	25.9 Å²	25.9	7%	0.074	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-25.8	-175.1	0	0	0	0	0	113.8	D269 S533 D588 F591 V592	D269-A529 PolarHBondContact OD1-N 3.22Å; A529-S533 WeakPolarHBondContact O-CB 3.19Å; A529-S533 PolarHBondContact O-N 2.83Å; A529-S533 VanDerWaalsContact O-N 3.16Å; A529-S533 PolarHBondContact O-OG 3.09Å; A529-D588 HydrophobicContact CB-CB 4.19Å; A529-F591 HydrophobicContact CB-CD1 4.14Å; A529-F591 HydrophobicContact CB-CE1 4.35Å; A529-V592 HydrophobicContact CB-CG2 4.15Å
530	L	90.5	Very high	88.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-75.8	-36.8	173.9	-61.3	169	0	0	0	111.4	V268 D269 N272 G528 F591 V592 R595 W596	V268-L530 HydrophobicContact CB-CB 4.42Å; V268-L530 HydrophobicContact CG1-CB 4Å; V268-L530 HydrophobicContact CG1-CD1 4.25Å; D269-L530 WeakPolarHBondContact OD1-CB 3.24Å; D269-L530 PolarHBondContact OD1-N 3.14Å; D269-L530 PolarHBondContact OD2-N 3.14Å; N272-L530 HydrophobicContact CB-CD1 3.77Å; G528-L530 PolarHBondContact O-N 3.26Å; L530-F591 HydrophobicContact CD1-CE1 4Å; L530-F591 HydrophobicContact CD1-CZ 4.22Å; L530-F591 HydrophobicContact CD2-CE1 4.5Å; L530-F591 HydrophobicContact CG-CD1 4.33Å; L530-F591 HydrophobicContact CG-CE1 3.78Å; L530-F591 HydrophobicContact CG-CZ 4.48Å; L530-V592 HydrophobicContact CD2-CG2 4.18Å; L530-R595 HydrophobicContact CD1-CB 4.06Å; L530-R595 HydrophobicContact CD2-CB 4.25Å; L530-W596 HydrophobicContact CD2-CE3 3.97Å; L530-W596 WeakPolarHBondContact O-CZ3 3.42Å
531	G	90.6	Very high	88	Confident	3 Å²	3	28 Å²	28	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-48.2	172.1	0	0	0	0	0	113	D269 G528 S533 K534 Y536	D269-G531 PolarHBondContact OD2-N 3.45Å; G528-G531 PolarHBondContact O-N 2.94Å; G531-S533 VanDerWaalsContact C-N 3.26Å; G531-S533 PolarHBondContact O-N 2.78Å; G531-K534 PolarHBondContact O-N 2.77Å; G531-Y536 WeakPolarHBondContact O-CE2 3.31Å; G531-Y536 PolarHBondContact O-OH 2.93Å
532	T	91.3	Very high	88	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-72.5	-15.7	-179.9	62.1	0	0	0	0	113.8	I527 G528 K534 C545	I527-T532 HydrophobicContact CG2-CG2 4.15Å; G528-T532 PolarHBondContact O-N 2.74Å; G528-T532 PolarHBondContact O-OG1 3.39Å; T532-K534 PolarHBondContact O-N 3.03Å; T532-C545 HydrophobicContact CG2-CB 4.33Å
533	S	92.8	Very high	88	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	17.7	173.3	-59	0	0	0	0	114	A529 G531 W596 P602 T603	A529-S533 WeakPolarHBondContact O-CB 3.19Å; A529-S533 PolarHBondContact O-N 2.83Å; A529-S533 VanDerWaalsContact O-N 3.16Å; A529-S533 PolarHBondContact O-OG 3.09Å; G531-S533 VanDerWaalsContact C-N 3.26Å; G531-S533 PolarHBondContact O-N 2.78Å; S533-W596 WeakPolarHBondContact O-CH2 3.42Å; S533-P602 WeakPolarHBondContact O-CA 3.46Å; S533-T603 CarbonylContact C-O 3.56Å; S533-T603 WeakPolarHBondContact CA-O 2.96Å; S533-T603 PolarHBondContact O-N 3.44Å
534	K	92.5	Very high	88.2	Confident	3 Å²	3	27.8 Å²	27.8	1%	0.013	14%	0.138	C	C	.	.	S	Bend	trans	-105.8	160.1	171.2	-58.2	-176.9	-162.4	172.6	0	110.8	G531 T532 Y536 W596 L598 E653	G531-K534 PolarHBondContact O-N 2.77Å; T532-K534 PolarHBondContact O-N 3.03Å; K534-Y536 HydrophobicContact CB-CD2 4.41Å; K534-Y536 HydrophobicContact CB-CE2 3.85Å; K534-Y536 HydrophobicContact CD-CE1 4.25Å; K534-W596 HydrophobicContact CG-CH2 4.05Å; K534-L598 HydrophobicContact CD-CD1 4.35Å; K534-L598 HydrophobicContact CG-CD1 4.43Å; K534-E653 HydrophobicContact CD-CB 4.32Å; K534-E653 VanDerWaalsContact NZ-CD 3.26Å; K534-E653 IonicContact NZ-OE1 2.78Å; K534-E653 PolarHBondContact NZ-OE1 3.34Å; K534-E653 IonicContact NZ-OE2 3.43Å; K534-E653 PolarHBondContact NZ-OE2 3.47Å
535	I	92.7	Very high	88.5	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.2	159.8	-57.1	-164.1	0	0	0	108.2	T542 L544 T603 L643 L647 S650 C651 C652 E653	I535-T542 HydrophobicContact CG2-CG2 3.57Å; I535-L544 HydrophobicContact CG1-CD1 4.26Å; I535-T603 HydrophobicContact CD1-CG2 4.32Å; I535-L643 HydrophobicContact CD1-CD1 4.26Å; I535-L647 HydrophobicContact CD1-CD2 3.32Å; I535-S650 WeakPolarHBondContact CD1-OG 3.38Å; I535-C651 PolarHBondContact N-O 3.35Å; I535-C652 CarbonylContact O-C 3.58Å; I535-C652 VanDerWaalsContact O-CA 3.27Å; I535-C652 WeakPolarHBondContact O-CA 3.28Å; I535-E653 PolarHBondContact O-N 2.95Å
536	Y	91.5	Very high	88.5	Confident	3 Å²	3	20.1 Å²	20.1	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.2	179.3	-69.8	-81.9	0	0	0	110.8	L504 F508 G531 K534 V543 E653 L655	L504-Y536 HydrophobicContact CD1-CD1 4.28Å; L504-Y536 HydrophobicContact CD1-CD2 3.94Å; L504-Y536 HydrophobicContact CD1-CE1 4.44Å; L504-Y536 HydrophobicContact CD1-CE2 4.13Å; L504-Y536 HydrophobicContact CD1-CG 3.99Å; L504-Y536 HydrophobicContact CD2-CD2 3.95Å; L504-Y536 HydrophobicContact CD2-CE2 3.4Å; L504-Y536 HydrophobicContact CG-CE2 4.41Å; F508-Y536 AromaticContact CE2-CE1 3.86Å; F508-Y536 HydrophobicContact CE2-CE1 3.86Å; F508-Y536 AromaticContact CZ-CE1 3.85Å; F508-Y536 HydrophobicContact CZ-CE1 3.85Å; G531-Y536 WeakPolarHBondContact O-CE2 3.31Å; G531-Y536 PolarHBondContact O-OH 2.93Å; K534-Y536 HydrophobicContact CB-CD2 4.41Å; K534-Y536 HydrophobicContact CB-CE2 3.85Å; K534-Y536 HydrophobicContact CD-CE1 4.25Å; Y536-V543 PolarHBondContact N-O 2.61Å; Y536-V543 PolarHBondContact O-N 3.1Å; Y536-E653 CarbonylContact C-O 3.59Å; Y536-E653 WeakPolarHBondContact CA-O 3.43Å; Y536-E653 HydrophobicContact CD1-CB 4.01Å; Y536-E653 HydrophobicContact CE1-CB 4.04Å; Y536-E653 HydrophobicContact CE1-CG 4.43Å; Y536-L655 HydrophobicContact CD1-CD1 3.68Å; Y536-L655 HydrophobicContact CD1-CD2 3.96Å; Y536-L655 HydrophobicContact CD1-CG 3.84Å; Y536-L655 HydrophobicContact CE1-CD1 4.24Å; Y536-L655 HydrophobicContact CE1-CD2 4.21Å; Y536-L655 HydrophobicContact CG-CD1 4.32Å
537	R	88.8	Confident	88.4	Confident	108 Å²	108	18.5 Å²	18.5	41%	0.408	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.7	167.4	-166.8	132.9	-159.9	-169.8	4.6	108.9	G540 E541 E653 L655	R537-G540 VanDerWaalsContact CZ-O 3.28Å; R537-G540 PolarHBondContact NE-O 2.94Å; R537-G540 PolarHBondContact NH2-O 2.8Å; R537-E541 WeakPolarHBondContact CA-O 3.31Å; R537-E653 PolarHBondContact N-O 3.29Å; R537-L655 PolarHBondContact O-N 3.15Å
538	V	85.9	Confident	87.7	Confident	1 Å²	1	21 Å²	21	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.1	-171	-159.2	0	0	0	0	108.7	W499 V507 G540 E541 V543 L655	W499-V538 HydrophobicContact CH2-CB 4.02Å; W499-V538 HydrophobicContact CH2-CG1 3.97Å; W499-V538 HydrophobicContact CH2-CG2 4.23Å; W499-V538 HydrophobicContact CZ3-CG1 4.41Å; W499-V538 HydrophobicContact CZ3-CG2 4.28Å; V507-V538 HydrophobicContact CG1-CG1 3.9Å; V507-V538 HydrophobicContact CG2-CG1 4.47Å; V538-G540 PolarHBondContact O-N 3.17Å; V538-E541 PolarHBondContact N-O 3.2Å; V538-E541 WeakPolarHBondContact O-CB 3.19Å; V538-E541 PolarHBondContact O-N 3.09Å; V538-V543 HydrophobicContact CB-CG2 4.35Å; V538-V543 HydrophobicContact CG2-CB 4.35Å; V538-V543 HydrophobicContact CG2-CG2 4Å; V538-L655 HydrophobicContact CG1-CB 4.46Å; V538-L655 HydrophobicContact CG2-CB 4.33Å; V538-L655 HydrophobicContact CG2-CD1 3.99Å; V538-L655 HydrophobicContact CG2-CG 4.34Å
539	F	80.8	Confident	86.8	Confident	63 Å²	63	22 Å²	22	28%	0.276	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	21.9	-173.4	-50.3	-63.8	0	0	0	115.1	E541 C658 R660 L664 L668	F539-E541 VanDerWaalsContact C-N 3.33Å; F539-C658 HydrophobicContact CD1-CB 4.44Å; F539-C658 WeakPolarHBondContact CD1-O 3.48Å; F539-C658 HydrophobicContact CE1-CB 3.4Å; F539-C658 WeakPolarHBondContact CE1-O 3.02Å; F539-C658 HydrophobicContact CZ-CB 3.62Å; F539-R660 WeakPolarHBondContact CE1-O 2.97Å; F539-L664 HydrophobicContact CE2-CD1 3.93Å; F539-L664 HydrophobicContact CZ-CD1 3.9Å; F539-L664 HydrophobicContact CZ-CD2 4.44Å; F539-L664 HydrophobicContact CZ-CG 4.17Å; F539-L668 HydrophobicContact CD2-CD1 4.48Å; F539-L668 HydrophobicContact CE2-CD1 3.88Å
540	G	80.9	Confident	85.8	Confident	39 Å²	39	21.7 Å²	21.7	40%	0.402	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-21.9	-173.8	0	0	0	0	0	114.6	R537 V538	R537-G540 VanDerWaalsContact CZ-O 3.28Å; R537-G540 PolarHBondContact NE-O 2.94Å; R537-G540 PolarHBondContact NH2-O 2.8Å; V538-G540 PolarHBondContact O-N 3.17Å
541	E	87	Confident	84.5	Confident	88 Å²	88	22.9 Å²	22.9	41%	0.411	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	157.7	175.5	-64.1	-56.3	148.3	0	0	112.4	R537 V538 F539	R537-E541 WeakPolarHBondContact CA-O 3.31Å; V538-E541 PolarHBondContact N-O 3.2Å; V538-E541 WeakPolarHBondContact O-CB 3.19Å; V538-E541 PolarHBondContact O-N 3.09Å; F539-E541 VanDerWaalsContact C-N 3.33Å
542	T	92.2	Very high	82.6	Confident	30 Å²	30	24.9 Å²	24.9	18%	0.184	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.9	175	-51.5	0	0	0	0	109.4	V496 Q497 I535	V496-T542 CarbonylContact C-O 3.54Å; V496-T542 WeakPolarHBondContact CA-O 3.15Å; V496-T542 HydrophobicContact CG1-CG2 4.1Å; V496-T542 HydrophobicContact CG2-CG2 4.15Å; Q497-T542 PolarHBondContact N-O 2.68Å; I535-T542 HydrophobicContact CG2-CG2 3.57Å
543	V	92.6	Very high	80.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.2	-172.3	175.2	0	0	0	0	110	Q497 W499 Y536 V538	Q497-V543 WeakPolarHBondContact O-CA 3.33Å; W499-V543 HydrophobicContact CB-CG1 3.89Å; W499-V543 HydrophobicContact CD2-CB 4.4Å; W499-V543 HydrophobicContact CD2-CG1 3.44Å; W499-V543 VanDerWaalsContact CD2-CG1 3.44Å; W499-V543 HydrophobicContact CD2-CG2 4.02Å; W499-V543 HydrophobicContact CE3-CG1 3.65Å; W499-V543 HydrophobicContact CE3-CG2 4.33Å; W499-V543 HydrophobicContact CG-CG1 3.56Å; W499-V543 HydrophobicContact CH2-CG2 3.97Å; W499-V543 HydrophobicContact CZ2-CG2 3.63Å; W499-V543 HydrophobicContact CZ3-CG1 4.29Å; W499-V543 HydrophobicContact CZ3-CG2 4.31Å; Y536-V543 PolarHBondContact N-O 2.61Å; Y536-V543 PolarHBondContact O-N 3.1Å; V538-V543 HydrophobicContact CB-CG2 4.35Å; V538-V543 HydrophobicContact CG2-CB 4.35Å; V538-V543 HydrophobicContact CG2-CG2 4Å
544	L	93.9	Very high	78.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.7	166.3	176.6	67.1	0	0	0	108.8	A468 V496 Q497 I498 W499 I535 T603 C605 L643	A468-L544 HydrophobicContact CB-CD2 4.16Å; V496-L544 HydrophobicContact CG1-CB 4.33Å; Q497-L544 PolarHBondContact O-N 3.16Å; I498-L544 WeakPolarHBondContact CA-O 3.46Å; I498-L544 HydrophobicContact CD1-CB 4.03Å; I498-L544 HydrophobicContact CD1-CD2 4.12Å; I498-L544 HydrophobicContact CD1-CG 4.41Å; W499-L544 PolarHBondContact N-O 3.24Å; I535-L544 HydrophobicContact CG1-CD1 4.26Å; L544-T603 HydrophobicContact CD1-CG2 4.44Å; L544-C605 HydrophobicContact CD1-CB 4.24Å; L544-C605 HydrophobicContact CD2-CB 3.66Å; L544-C605 HydrophobicContact CG-CB 3.75Å; L544-L643 HydrophobicContact CB-CD2 4.37Å; L544-L643 HydrophobicContact CD2-CD1 3.77Å; L544-L643 HydrophobicContact CD2-CD2 3.64Å; L544-L643 HydrophobicContact CD2-CG 4.38Å
545	C	91.8	Very high	76.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142	-179.3	-65.8	0	0	0	0	111.3	W499 L504 T532 C605	W499-C545 WeakPolarHBondContact O-CA 3.24Å; L504-C545 HydrophobicContact CD2-CB 4.28Å; T532-C545 HydrophobicContact CG2-CB 4.33Å; C545-C605 WeakPolarHBondContact O-CB 3.28Å
546	Y	86.6	Confident	75.5	Confident	19 Å²	19	38.5 Å²	38.5	8%	0.075	20%	0.195	C	C	.	.			trans	-86.1	146.3	168	58.9	-94.4	0	0	0	111.4	I498 W499 S500 F550 D551 L607 V671	I498-Y546 HydrophobicContact CG2-CD1 3.98Å; W499-Y546 WeakPolarHBondContact O-CD1 3.18Å; W499-Y546 WeakPolarHBondContact O-CE1 3.25Å; W499-Y546 PolarHBondContact O-N 3.3Å; S500-Y546 VanDerWaalsContact CB-OH 3.29Å; S500-Y546 WeakPolarHBondContact CB-OH 3.38Å; Y546-F550 HydrophobicContact CD2-CB 3.8Å; Y546-F550 HydrophobicContact CE2-CB 4.27Å; Y546-D551 HydrophobicContact CE2-CB 4.11Å; Y546-L607 HydrophobicContact CD1-CD2 3.75Å; Y546-L607 HydrophobicContact CD2-CD2 4.37Å; Y546-L607 HydrophobicContact CE1-CD2 3.75Å; Y546-L607 HydrophobicContact CE2-CD2 4.36Å; Y546-L607 HydrophobicContact CG-CB 4.4Å; Y546-L607 HydrophobicContact CG-CD2 4.05Å; Y546-V671 HydrophobicContact CD1-CG2 4.41Å; Y546-V671 HydrophobicContact CE1-CG2 3.64Å
547	P	79.1	Confident	74.1	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.026	20%	0.199	C	C	.	.			trans	-60.9	153.9	175	-23.5	33	0	0	0	113.4	L549 F550 Y604 C605	P547-L549 PolarHBondContact O-N 2.86Å; P547-F550 HydrophobicContact CG-CE2 4.36Å; P547-F550 PolarHBondContact O-N 2.73Å; P547-Y604 HydrophobicContact CG-CD2 4.43Å; P547-Y604 HydrophobicContact CG-CE1 4.09Å; P547-Y604 HydrophobicContact CG-CE2 3.77Å; P547-C605 WeakPolarHBondContact CD-O 3.34Å
548	L	70.8	Confident	72.5	Confident	59 Å²	59	35.8 Å²	35.8	31%	0.309	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-46.8	-28.8	175.3	-74.6	149.1	0	0	0	114.3	S501 P526 I527 F550 D551	S501-L548 WeakPolarHBondContact OG-CD2 3.41Å; P526-L548 HydrophobicContact CB-CD1 3.95Å; P526-L548 HydrophobicContact CB-CD2 4.35Å; I527-L548 VanDerWaalsContact O-CD1 3.27Å; I527-L548 WeakPolarHBondContact O-CD1 3.4Å; L548-F550 PolarHBondContact O-N 2.85Å; L548-F550 VanDerWaalsContact O-N 3.11Å; L548-D551 WeakPolarHBondContact O-CB 3.22Å; L548-D551 PolarHBondContact O-N 3.35Å
549	L	64.7	Low	70.9	Confident	31 Å²	31	37 Å²	37	16%	0.162	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-51.6	-31.2	175.8	-178.5	61.7	0	0	0	114	P547 F584	P547-L549 PolarHBondContact O-N 2.86Å; L549-F584 HydrophobicContact CD1-CB 3.53Å; L549-F584 HydrophobicContact CD1-CD2 3.8Å; L549-F584 HydrophobicContact CD1-CG 3.88Å; L549-F584 HydrophobicContact CD2-CB 3.59Å; L549-F584 HydrophobicContact CG-CB 4.2Å
550	F	64.6	Low	69.4	Low	1 Å²	1	34 Å²	34	0%	0.004	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-101.2	3.5	-177.4	-50.4	-76.3	0	0	0	113.6	Y546 P547 L548 V552 Y604 L606 L607 K609 L612	Y546-F550 HydrophobicContact CD2-CB 3.8Å; Y546-F550 HydrophobicContact CE2-CB 4.27Å; P547-F550 HydrophobicContact CG-CE2 4.36Å; P547-F550 PolarHBondContact O-N 2.73Å; L548-F550 PolarHBondContact O-N 2.85Å; L548-F550 VanDerWaalsContact O-N 3.11Å; F550-V552 WeakPolarHBondContact O-CG2 3.47Å; F550-V552 PolarHBondContact O-N 2.67Å; F550-Y604 HydrophobicContact CE2-CE1 4.28Å; F550-L606 HydrophobicContact CE1-CD1 3.85Å; F550-L606 HydrophobicContact CE2-CD1 4.28Å; F550-L606 HydrophobicContact CZ-CD1 3.45Å; F550-L606 VanDerWaalsContact CZ-CD1 3.45Å; F550-L607 HydrophobicContact CB-CB 4.41Å; F550-L607 WeakPolarHBondContact CD1-O 3.48Å; F550-L607 HydrophobicContact CG-CB 4.47Å; F550-K609 PolarHBondContact O-NZ 3.2Å; F550-L612 HydrophobicContact CD1-CD1 4.26Å
551	D	62.8	Low	67.5	Low	25 Å²	25	32.3 Å²	32.3	13%	0.134	17%	0.168	C	C	.	.			trans	-90.6	70.3	-179.5	-145	-18.5	0	0	0	109.9	S501 N502 Y546 L548 Q553	S501-D551 PolarHBondContact OG-OD2 2.88Å; N502-D551 PolarHBondContact ND2-OD2 2.56Å; Y546-D551 HydrophobicContact CE2-CB 4.11Å; L548-D551 WeakPolarHBondContact O-CB 3.22Å; L548-D551 PolarHBondContact O-N 3.35Å; D551-Q553 PolarHBondContact O-N 3.09Å
552	V	52.3	Low	65.4	Low	46 Å²	46	30.9 Å²	30.9	28%	0.279	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	17.6	-166.1	-153.4	0	0	0	0	114.4	F550 D554	F550-V552 WeakPolarHBondContact O-CG2 3.47Å; F550-V552 PolarHBondContact O-N 2.67Å; V552-D554 PolarHBondContact O-N 3.46Å
553	Q	49.1	Very low	63.1	Low	164 Å²	164	30 Å²	30	77%	0.766	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-25.4	-167.9	-66.4	-155.2	-25.2	0	0	114.7	D551	D551-Q553 PolarHBondContact O-N 3.09Å
554	D	50.3	Low	60.6	Low	79 Å²	79	30.1 Å²	30.1	42%	0.422	16%	0.157	S	C	.	.	S	Bend	trans	-141.4	-8.1	179.4	-102.5	-48.8	0	0	0	118.3	V552 Q751 K785	V552-D554 PolarHBondContact O-N 3.46Å; D554-Q751 PolarHBondContact OD1-NE2 2.81Å; D554-Q751 VanDerWaalsContact OD1-NE2 3.09Å; D554-K785 WeakPolarHBondContact O-CD 3.29Å; D554-K785 WeakPolarHBondContact O-CE 3.21Å; D554-K785 PolarHBondContact O-NZ 3.32Å; D554-K785 WeakPolarHBondContact OD1-CE 3.26Å; D554-K785 IonicContact OD1-NZ 2.7Å; D554-K785 PolarHBondContact OD1-NZ 2.9Å
555	F	56.3	Low	57.6	Low	45 Å²	45	34.3 Å²	34.3	20%	0.197	18%	0.178	C	C	.	.			trans	-101	128.9	-167.6	-123.3	-96.3	0	0	0	117.8	L557 S558 K785 V786 V787	F555-L557 HydrophobicContact CD1-CB 3.84Å; F555-L557 HydrophobicContact CE1-CB 4.08Å; F555-L557 HydrophobicContact CE1-CD1 4.24Å; F555-S558 PolarHBondContact O-OG 2.88Å; F555-K785 HydrophobicContact CE2-CB 4.37Å; F555-V786 VanDerWaalsContact CE2-C 3.43Å; F555-V786 WeakPolarHBondContact CE2-O 3.28Å; F555-V787 HydrophobicContact CD1-CG1 3.99Å; F555-V787 HydrophobicContact CE1-CB 4Å; F555-V787 HydrophobicContact CE1-CG1 3.63Å; F555-V787 HydrophobicContact CE1-CG2 3.58Å; F555-V787 HydrophobicContact CZ-CB 3.9Å; F555-V787 HydrophobicContact CZ-CG1 3.95Å; F555-V787 HydrophobicContact CZ-CG2 3.56Å
556	Y	64.2	Low	54.8	Low	4 Å²	4	37.6 Å²	37.6	2%	0.016	20%	0.196	C	C	.	.	S	Bend	trans	-79.1	-31.5	-177.7	66.5	-87.3	0	0	0	113.1	S558 S559 W763 A780 V842 E846	Y556-S558 PolarHBondContact O-N 3.11Å; Y556-S559 WeakPolarHBondContact O-CB 3.47Å; Y556-S559 PolarHBondContact O-N 3.5Å; Y556-W763 HydrophobicContact CD2-CH2 4.02Å; Y556-W763 HydrophobicContact CD2-CZ3 4.06Å; Y556-A780 HydrophobicContact CD1-CB 3.91Å; Y556-A780 HydrophobicContact CE1-CB 4.24Å; Y556-A780 HydrophobicContact CG-CB 4.36Å; Y556-V842 HydrophobicContact CD2-CG1 4.42Å; Y556-V842 HydrophobicContact CE1-CG1 3.89Å; Y556-V842 HydrophobicContact CE2-CG1 3.63Å; Y556-V842 WeakPolarHBondContact OH-CG1 3.48Å; Y556-E846 HydrophobicContact CE2-CG 4.28Å
557	L	62.1	Low	52.3	Low	19 Å²	19	43 Å²	43	10%	0.099	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.2	-22.9	-177.2	-117.5	160.1	0	0	0	112.9	F555 S559 V787 E846 I849 P898	F555-L557 HydrophobicContact CD1-CB 3.84Å; F555-L557 HydrophobicContact CE1-CB 4.08Å; F555-L557 HydrophobicContact CE1-CD1 4.24Å; L557-S559 PolarHBondContact O-N 3.17Å; L557-V787 HydrophobicContact CD1-CG2 4.44Å; L557-E846 HydrophobicContact CD1-CG 3.97Å; L557-E846 HydrophobicContact CG-CG 4.3Å; L557-I849 HydrophobicContact CD1-CD1 4.35Å; L557-P898 HydrophobicContact CD2-CB 3.78Å; L557-P898 HydrophobicContact CD2-CG 4.23Å
558	S	54.5	Low	50	Low	34 Å²	34	49.4 Å²	49.4	24%	0.238	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-75	-8.3	170.2	25.5	0	0	0	0	114.1	F555 Y556 V580	F555-S558 PolarHBondContact O-OG 2.88Å; Y556-S558 PolarHBondContact O-N 3.11Å; S558-V580 WeakPolarHBondContact O-CG1 3.27Å
559	S	52.6	Low	48	Very low	27 Å²	27	55.7 Å²	55.7	19%	0.189	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-104.5	-4	175.8	-56.4	0	0	0	0	113.5	Y556 L557 P561	Y556-S559 WeakPolarHBondContact O-CB 3.47Å; Y556-S559 PolarHBondContact O-N 3.5Å; L557-S559 PolarHBondContact O-N 3.17Å; S559-P561 VanDerWaalsContact O-CD 3.27Å; S559-P561 WeakPolarHBondContact O-CD 3.46Å
560	D	48.7	Very low	46.1	Very low	0 Å²	0	61 Å²	61	0%	0	32%	0.317	C	S	.	.			trans	-68.4	115.4	169	174.6	-10.7	0	0	0	108.9	E562 V563 V580 W763 S897 P898 T899	D560-E562 PolarHBondContact O-N 3.05Å; D560-E562 PolarHBondContact OD1-N 3.37Å; D560-E562 VanDerWaalsContact OD1-N 3.09Å; D560-V563 HydrophobicContact CB-CG2 3.43Å; D560-V563 VanDerWaalsContact CB-CG2 3.43Å; D560-V563 WeakPolarHBondContact OD2-CG2 3.4Å; D560-V580 WeakPolarHBondContact O-CB 3.43Å; D560-V580 WeakPolarHBondContact O-CG1 3.43Å; D560-V580 WeakPolarHBondContact O-CG2 3.2Å; D560-W763 HydrophobicContact CB-CH2 4.34Å; D560-W763 HydrophobicContact CB-CZ2 3.83Å; D560-S897 WeakPolarHBondContact OD1-CB 3.42Å; D560-S897 WeakPolarHBondContact OD2-CB 3.45Å; D560-P898 HydrophobicContact CB-CB 4.27Å; D560-P898 HydrophobicContact CB-CG 3.9Å; D560-P898 VanDerWaalsContact OD2-CA 3.24Å; D560-P898 WeakPolarHBondContact OD2-CA 3.1Å; D560-P898 WeakPolarHBondContact OD2-CB 2.94Å; D560-P898 WeakPolarHBondContact OD2-CD 3.19Å; D560-P898 WeakPolarHBondContact OD2-CG 2.56Å; D560-T899 PolarHBondContact OD1-OG1 2.75Å; D560-T899 PolarHBondContact OD2-N 3.45Å; D560-T899 PolarHBondContact OD2-OG1 3.09Å
561	P	42.4	Very low	44.2	Very low	3 Å²	3	72 Å²	72	2%	0.019	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.1	-167	-19.7	33.1	0	0	0	116.1	S559 F576 F577 T579 V580 K761	S559-P561 VanDerWaalsContact O-CD 3.27Å; S559-P561 WeakPolarHBondContact O-CD 3.46Å; P561-F576 HydrophobicContact CB-CD1 4.37Å; P561-F577 HydrophobicContact CB-CB 3.64Å; P561-F577 HydrophobicContact CB-CD2 3.32Å; P561-F577 HydrophobicContact CB-CE2 4.15Å; P561-F577 HydrophobicContact CB-CG 3.7Å; P561-F577 WeakPolarHBondContact CB-O 3.2Å; P561-F577 HydrophobicContact CG-CB 4.36Å; P561-F577 HydrophobicContact CG-CD2 3.21Å; P561-F577 HydrophobicContact CG-CE2 3.75Å; P561-F577 HydrophobicContact CG-CG 4.11Å; P561-F577 CarbonylContact O-C 3.6Å; P561-T579 WeakPolarHBondContact O-CA 3.32Å; P561-T579 WeakPolarHBondContact O-CB 3.48Å; P561-T579 PolarHBondContact O-N 2.82Å; P561-V580 PolarHBondContact O-N 3.04Å; P561-K761 HydrophobicContact CG-CG 4.22Å
562	E	43	Very low	42.4	Very low	59 Å²	59	77.9 Å²	77.9	28%	0.276	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-10.5	-158.7	-69.2	-175.9	174.7	0	0	116.9	D560 L564 F576 T899 Q900	D560-E562 PolarHBondContact O-N 3.05Å; D560-E562 PolarHBondContact OD1-N 3.37Å; D560-E562 VanDerWaalsContact OD1-N 3.09Å; E562-L564 PolarHBondContact O-N 2.92Å; E562-F576 HydrophobicContact CB-CD1 3.81Å; E562-F576 HydrophobicContact CB-CD2 3.36Å; E562-F576 HydrophobicContact CB-CE1 3.28Å; E562-F576 HydrophobicContact CB-CE2 2.73Å; E562-F576 HydrophobicContact CB-CG 3.84Å; E562-F576 HydrophobicContact CB-CZ 2.67Å; E562-F576 HydrophobicContact CG-CB 3.64Å; E562-F576 HydrophobicContact CG-CD1 2.31Å; E562-F576 HydrophobicContact CG-CD2 2.32Å; E562-F576 HydrophobicContact CG-CE1 2.31Å; E562-F576 HydrophobicContact CG-CE2 2.31Å; E562-F576 HydrophobicContact CG-CG 2.31Å; E562-F576 HydrophobicContact CG-CZ 2.3Å; E562-F576 WeakPolarHBondContact OE1-CB 3.27Å; E562-F576 WeakPolarHBondContact OE1-CD1 3.17Å; E562-F576 WeakPolarHBondContact OE1-CD2 3.47Å; E562-F576 WeakPolarHBondContact OE1-CE1 3.45Å; E562-F576 WeakPolarHBondContact OE1-CE2 3.26Å; E562-F576 WeakPolarHBondContact OE1-CG 3.47Å; E562-F576 WeakPolarHBondContact OE2-CD1 3.47Å; E562-F576 WeakPolarHBondContact OE2-CD2 3.39Å; E562-F576 WeakPolarHBondContact OE2-CE1 3.26Å; E562-F576 WeakPolarHBondContact OE2-CE2 3.21Å; E562-F576 WeakPolarHBondContact OE2-CZ 3.43Å; E562-T899 WeakPolarHBondContact CA-OG1 3.19Å; E562-T899 HydrophobicContact CB-CG2 3.66Å; E562-T899 VanDerWaalsContact CB-OG1 3.27Å; E562-T899 WeakPolarHBondContact CB-OG1 3.19Å; E562-T899 WeakPolarHBondContact O-CG2 3.48Å; E562-Q900 PolarHBondContact OE2-NE2 2.73Å
563	V	42.3	Very low	41.2	Very low	10 Å²	10	81.3 Å²	81.3	6%	0.061	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-5.4	-151.1	-168.9	0	0	0	0	117.6	D560 P898 T899	D560-V563 HydrophobicContact CB-CG2 3.43Å; D560-V563 VanDerWaalsContact CB-CG2 3.43Å; D560-V563 WeakPolarHBondContact OD2-CG2 3.4Å; V563-P898 HydrophobicContact CG2-CB 4.49Å; V563-T899 WeakPolarHBondContact CA-OG1 3.42Å; V563-T899 VanDerWaalsContact CG2-OG1 3.3Å; V563-T899 WeakPolarHBondContact CG2-OG1 3.32Å; V563-T899 PolarHBondContact N-OG1 2.84Å
564	L	40.6	Very low	40.2	Very low	4 Å²	4	83.5 Å²	83.5	2%	0.021	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.2	15.6	-131.1	-69.8	-142.9	0	0	0	111.7	E562 T579 V580 F583 F584	E562-L564 PolarHBondContact O-N 2.92Å; L564-T579 VanDerWaalsContact C-CG2 3.47Å; L564-T579 HydrophobicContact CB-CG2 3.71Å; L564-T579 WeakPolarHBondContact CB-O 3.48Å; L564-T579 WeakPolarHBondContact CD1-O 3.49Å; L564-V580 VanDerWaalsContact CD1-CA 3.43Å; L564-V580 HydrophobicContact CD1-CG1 4.49Å; L564-V580 WeakPolarHBondContact CD1-O 3.28Å; L564-F583 VanDerWaalsContact CA-CB 3.42Å; L564-F583 HydrophobicContact CB-CB 3.46Å; L564-F583 VanDerWaalsContact CB-CB 3.46Å; L564-F583 HydrophobicContact CB-CG 4.43Å; L564-F583 HydrophobicContact CD1-CB 3.86Å; L564-F583 VanDerWaalsContact CD1-N 3.32Å; L564-F583 HydrophobicContact CD2-CB 3.75Å; L564-F583 HydrophobicContact CD2-CD1 3.61Å; L564-F583 HydrophobicContact CD2-CE1 4.42Å; L564-F583 HydrophobicContact CD2-CG 3.98Å; L564-F583 HydrophobicContact CG-CB 3.87Å; L564-F583 VanDerWaalsContact O-CB 3.26Å; L564-F583 WeakPolarHBondContact O-CB 3.34Å; L564-F584 HydrophobicContact CD1-CB 4.2Å; L564-F584 HydrophobicContact CD1-CD2 3.69Å; L564-F584 HydrophobicContact CD1-CE2 4.38Å; L564-F584 HydrophobicContact CD1-CG 4.1Å; L564-F584 VanDerWaalsContact CD1-N 3.29Å; L564-F584 HydrophobicContact CD2-CD2 3.82Å; L564-F584 HydrophobicContact CD2-CE2 3.84Å; L564-F584 HydrophobicContact CD2-CG 4.17Å; L564-F584 HydrophobicContact CD2-CZ 4.22Å; L564-F584 HydrophobicContact CG-CD2 4.36Å
565	I	31.8	Very low	39.3	Very low	88 Å²	88	82.5 Å²	82.5	45%	0.451	42%	0.422	S	S	.	.			trans	-111.5	98.8	151.3	-72.5	152.3	0	0	0	106.7	T579	I565-T579 HydrophobicContact CB-CG2 4.39Å; I565-T579 HydrophobicContact CD1-CG2 3.65Å; I565-T579 HydrophobicContact CG1-CG2 3.57Å
566	D	32.6	Very low	38.2	Very low	68 Å²	68	83.1 Å²	83.1	36%	0.364	43%	0.425	S	S	.	.			trans	-115.5	104.4	143.5	-95.1	-48.4	0	0	0	106.1	K902	D566-K902 IonicContact OD2-NZ 3.46Å; D566-K902 PolarHBondContact OD2-NZ 3.37Å
567	D	33.9	Very low	36.7	Very low	132 Å²	132	85.2 Å²	85.2	71%	0.706	43%	0.434	S	S	*	.			trans	-152.8	142.7	152	-149.2	-12.7	0	0	0	108.2
568	I	30.3	Very low	35.4	Very low	140 Å²	140	84.9 Å²	84.9	72%	0.718	43%	0.433	S	S	*	.	S	Bend	trans	-84.2	130.9	-154.4	-73.2	171.3	0	0	0	112.7
569	K	28.4	Very low	34.6	Very low	191 Å²	191	83.4 Å²	83.4	83%	0.83	42%	0.422	S	S	*	.			trans	74.1	93.8	175.2	-60.5	158.1	-179.6	173.2	0	117.5
570	V	25.5	Very low	33.8	Very low	142 Å²	142	82.9 Å²	82.9	86%	0.861	42%	0.418	S	S	*	.				-133.3	129.3	127.6	-179.2	0	0	0	0	108.9
571	R	25.4	Very low	33.5	Very low	232 Å²	232	83.5 Å²	83.5	88%	0.875	42%	0.421	S	S	*	.			trans	-101.4	101.4	172.2	172.7	-175.4	178	171.7	1.6	108.1
572	N	24.9	Very low	33.5	Very low	148 Å²	148	86.2 Å²	86.2	79%	0.791	43%	0.431	S	S	*	.			trans	175.5	156.7	150.7	-87.3	-16.4	0	0	0	109.7
573	S	27	Very low	33.6	Very low	119 Å²	119	84.8 Å²	84.8	83%	0.832	42%	0.424	S	S	*	.			trans	-73.9	168.3	-166.1	-49	0	0	0	0	115.8
574	F	28	Very low	34	Very low	210 Å²	210	86 Å²	86	92%	0.921	43%	0.429	S	S	*	.			trans	81.4	93.6	156.4	-141.3	-91.4	0	0	0	117.7
575	S	31.2	Very low	35.1	Very low	58 Å²	58	85.8 Å²	85.8	41%	0.406	43%	0.428	S	S	.	.			trans	157.1	127.8	151.8	176.5	0	0	0	0	110.4	H617 K620	S575-H617 PolarHBondContact OG-ND1 3.41Å; S575-K620 PolarHBondContact O-NZ 2.84Å; S575-K620 WeakPolarHBondContact OG-CE 3.4Å
576	F	33.2	Very low	36.7	Very low	57 Å²	57	82.7 Å²	82.7	25%	0.25	41%	0.411	C	S	.	.			trans	-138.8	-66.4	-164.1	-156	-130.6	0	0	0	115.7	P561 E562 V578 T579 H617 T899 Q900	P561-F576 HydrophobicContact CB-CD1 4.37Å; E562-F576 HydrophobicContact CB-CD1 3.81Å; E562-F576 HydrophobicContact CB-CD2 3.36Å; E562-F576 HydrophobicContact CB-CE1 3.28Å; E562-F576 HydrophobicContact CB-CE2 2.73Å; E562-F576 HydrophobicContact CB-CG 3.84Å; E562-F576 HydrophobicContact CB-CZ 2.67Å; E562-F576 HydrophobicContact CG-CB 3.64Å; E562-F576 HydrophobicContact CG-CD1 2.31Å; E562-F576 HydrophobicContact CG-CD2 2.32Å; E562-F576 HydrophobicContact CG-CE1 2.31Å; E562-F576 HydrophobicContact CG-CE2 2.31Å; E562-F576 HydrophobicContact CG-CG 2.31Å; E562-F576 HydrophobicContact CG-CZ 2.3Å; E562-F576 WeakPolarHBondContact OE1-CB 3.27Å; E562-F576 WeakPolarHBondContact OE1-CD1 3.17Å; E562-F576 WeakPolarHBondContact OE1-CD2 3.47Å; E562-F576 WeakPolarHBondContact OE1-CE1 3.45Å; E562-F576 WeakPolarHBondContact OE1-CE2 3.26Å; E562-F576 WeakPolarHBondContact OE1-CG 3.47Å; E562-F576 WeakPolarHBondContact OE2-CD1 3.47Å; E562-F576 WeakPolarHBondContact OE2-CD2 3.39Å; E562-F576 WeakPolarHBondContact OE2-CE1 3.26Å; E562-F576 WeakPolarHBondContact OE2-CE2 3.21Å; E562-F576 WeakPolarHBondContact OE2-CZ 3.43Å; F576-V578 PolarHBondContact O-N 3.36Å; F576-T579 PolarHBondContact O-OG1 3.11Å; F576-H617 PolarHBondContact N-CE1 3.38Å; F576-H617 PolarHBondContact N-ND1 2.67Å; F576-T899 HydrophobicContact CE2-CG2 4.35Å; F576-T899 HydrophobicContact CZ-CG2 4.26Å; F576-Q900 HydrophobicContact CZ-CG 4.06Å
577	F	31.5	Very low	38.3	Very low	49 Å²	49	83.9 Å²	83.9	22%	0.215	41%	0.41	C	S	.	.	S	Bend	trans	-68.7	-3.6	-148.4	167.3	-78.8	0	0	0	120.9	P561 H617 K761	P561-F577 HydrophobicContact CB-CB 3.64Å; P561-F577 HydrophobicContact CB-CD2 3.32Å; P561-F577 HydrophobicContact CB-CE2 4.15Å; P561-F577 HydrophobicContact CB-CG 3.7Å; P561-F577 WeakPolarHBondContact CB-O 3.2Å; P561-F577 HydrophobicContact CG-CB 4.36Å; P561-F577 HydrophobicContact CG-CD2 3.21Å; P561-F577 HydrophobicContact CG-CE2 3.75Å; P561-F577 HydrophobicContact CG-CG 4.11Å; P561-F577 CarbonylContact O-C 3.6Å; F577-H617 WeakPolarHBondContact CA-CD2 3.17Å; F577-H617 WeakPolarHBondContact CB-CD2 3.29Å; F577-H617 WeakPolarHBondContact CB-NE2 3.38Å; F577-H617 PolarHBondContact N-CD2 3.04Å; F577-H617 PolarHBondContact N-NE2 3.23Å; F577-K761 HydrophobicContact CD2-CD 3.51Å; F577-K761 HydrophobicContact CD2-CG 3.62Å; F577-K761 HydrophobicContact CE2-CD 3.98Å; F577-K761 HydrophobicContact CE2-CG 3.61Å; F577-K761 HydrophobicContact CG-CD 4.41Å
578	V	35.5	Very low	40.3	Very low	12 Å²	12	78.6 Å²	78.6	7%	0.073	38%	0.382	C	S	.	.	S	Bend	trans	-118.9	60.4	172.9	-162.3	0	0	0	0	110.8	F576 H617 F621	F576-V578 PolarHBondContact O-N 3.36Å; V578-H617 HydrophobicContact CB-CB 3.85Å; V578-H617 HydrophobicContact CG2-CB 3.79Å; V578-F621 HydrophobicContact CG1-CB 3.75Å; V578-F621 HydrophobicContact CG1-CG 4.29Å
579	T	37.1	Very low	42.8	Very low	2 Å²	2	71.9 Å²	71.9	1%	0.012	35%	0.348	C	S	.	.			trans	-109.7	-21.9	176	-44.2	0	0	0	0	112.1	P561 L564 I565 F576 N581 R582	P561-T579 WeakPolarHBondContact O-CA 3.32Å; P561-T579 WeakPolarHBondContact O-CB 3.48Å; P561-T579 PolarHBondContact O-N 2.82Å; L564-T579 VanDerWaalsContact C-CG2 3.47Å; L564-T579 HydrophobicContact CB-CG2 3.71Å; L564-T579 WeakPolarHBondContact CB-O 3.48Å; L564-T579 WeakPolarHBondContact CD1-O 3.49Å; I565-T579 HydrophobicContact CB-CG2 4.39Å; I565-T579 HydrophobicContact CD1-CG2 3.65Å; I565-T579 HydrophobicContact CG1-CG2 3.57Å; F576-T579 PolarHBondContact O-OG1 3.11Å; T579-N581 VanDerWaalsContact C-N 3.29Å; T579-N581 PolarHBondContact O-N 2.94Å; T579-N581 VanDerWaalsContact O-N 3.13Å; T579-R582 VanDerWaalsContact O-CB 3.31Å; T579-R582 WeakPolarHBondContact O-CB 3.3Å; T579-R582 PolarHBondContact O-N 3.06Å
580	V	35.9	Very low	45.4	Very low	16 Å²	16	66.8 Å²	66.8	10%	0.097	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.3	-173.7	-133.2	0	0	0	0	117.2	S558 D560 P561 L564	S558-V580 WeakPolarHBondContact O-CG1 3.27Å; D560-V580 WeakPolarHBondContact O-CB 3.43Å; D560-V580 WeakPolarHBondContact O-CG1 3.43Å; D560-V580 WeakPolarHBondContact O-CG2 3.2Å; P561-V580 PolarHBondContact O-N 3.04Å; L564-V580 VanDerWaalsContact CD1-CA 3.43Å; L564-V580 HydrophobicContact CD1-CG1 4.49Å; L564-V580 WeakPolarHBondContact CD1-O 3.28Å
581	N	43.1	Very low	48.1	Very low	13 Å²	13	63.2 Å²	63.2	7%	0.07	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.6	171.7	-73.2	-54.5	0	0	0	112.6	T579 L585 F621	T579-N581 VanDerWaalsContact C-N 3.29Å; T579-N581 PolarHBondContact O-N 2.94Å; T579-N581 VanDerWaalsContact O-N 3.13Å; N581-L585 WeakPolarHBondContact O-CB 3.5Å; N581-F621 HydrophobicContact CB-CD2 4.07Å; N581-F621 HydrophobicContact CB-CE2 3.5Å; N581-F621 VanDerWaalsContact CB-CE2 3.5Å; N581-F621 HydrophobicContact CB-CZ 4.36Å
582	R	43	Very low	51	Low	60 Å²	60	52.2 Å²	52.2	23%	0.226	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-59.9	-172.9	-168.3	155.5	-165.8	-128.7	8.1	114.2	T579 K586 L624 D627	T579-R582 VanDerWaalsContact O-CB 3.31Å; T579-R582 WeakPolarHBondContact O-CB 3.3Å; T579-R582 PolarHBondContact O-N 3.06Å; R582-K586 HydrophobicContact CG-CD 3.98Å; R582-K586 WeakPolarHBondContact O-CB 3.31Å; R582-K586 WeakPolarHBondContact O-CD 3.47Å; R582-K586 WeakPolarHBondContact O-CG 3.22Å; R582-K586 PolarHBondContact O-N 3.21Å; R582-L624 HydrophobicContact CB-CD2 3.9Å; R582-L624 HydrophobicContact CG-CB 4.39Å; R582-L624 HydrophobicContact CG-CD1 4Å; R582-L624 HydrophobicContact CG-CD2 3.77Å; R582-L624 HydrophobicContact CG-CG 4.27Å; R582-D627 IonicContact CZ-OD2 3.91Å; R582-D627 IonicContact NH2-OD2 3.61Å; R582-D627 PolarHBondContact NH2-OD2 3.32Å
583	F	44.2	Very low	54	Low	30 Å²	30	46 Å²	46	13%	0.132	22%	0.223	C	C	.	.	H	α-helix	trans	-77.6	-31.3	-178.7	169.2	-66.6	0	0	0	114.4	L564 L585 K586 R587 H853	L564-F583 VanDerWaalsContact CA-CB 3.42Å; L564-F583 HydrophobicContact CB-CB 3.46Å; L564-F583 VanDerWaalsContact CB-CB 3.46Å; L564-F583 HydrophobicContact CB-CG 4.43Å; L564-F583 HydrophobicContact CD1-CB 3.86Å; L564-F583 VanDerWaalsContact CD1-N 3.32Å; L564-F583 HydrophobicContact CD2-CB 3.75Å; L564-F583 HydrophobicContact CD2-CD1 3.61Å; L564-F583 HydrophobicContact CD2-CE1 4.42Å; L564-F583 HydrophobicContact CD2-CG 3.98Å; L564-F583 HydrophobicContact CG-CB 3.87Å; L564-F583 VanDerWaalsContact O-CB 3.26Å; L564-F583 WeakPolarHBondContact O-CB 3.34Å; F583-L585 VanDerWaalsContact C-N 3.31Å; F583-K586 PolarHBondContact O-N 3.01Å; F583-R587 HydrophobicContact CD1-CB 4.16Å; F583-R587 HydrophobicContact CE1-CB 4.31Å; F583-R587 HydrophobicContact CE1-CG 4.47Å; F583-R587 WeakPolarHBondContact O-CA 3.11Å; F583-R587 WeakPolarHBondContact O-CB 3.18Å; F583-R587 PolarHBondContact O-N 3.43Å; F583-H853 AromaticContact CZ-NE2 3.62Å
584	F	51.9	Low	56.7	Low	34 Å²	34	43.7 Å²	43.7	15%	0.149	21%	0.207	C	C	.	.	H	α-helix	trans	-67.3	-40	174.6	-78.2	-53.9	0	0	0	109.3	L549 L564 D588	L549-F584 HydrophobicContact CD1-CB 3.53Å; L549-F584 HydrophobicContact CD1-CD2 3.8Å; L549-F584 HydrophobicContact CD1-CG 3.88Å; L549-F584 HydrophobicContact CD2-CB 3.59Å; L549-F584 HydrophobicContact CG-CB 4.2Å; L564-F584 HydrophobicContact CD1-CB 4.2Å; L564-F584 HydrophobicContact CD1-CD2 3.69Å; L564-F584 HydrophobicContact CD1-CE2 4.38Å; L564-F584 HydrophobicContact CD1-CG 4.1Å; L564-F584 VanDerWaalsContact CD1-N 3.29Å; L564-F584 HydrophobicContact CD2-CD2 3.82Å; L564-F584 HydrophobicContact CD2-CE2 3.84Å; L564-F584 HydrophobicContact CD2-CG 4.17Å; L564-F584 HydrophobicContact CD2-CZ 4.22Å; L564-F584 HydrophobicContact CG-CD2 4.36Å; F584-D588 WeakPolarHBondContact O-CB 3.21Å; F584-D588 VanDerWaalsContact O-CG 3.32Å; F584-D588 PolarHBondContact O-N 2.81Å
585	L	62.1	Low	59.5	Low	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-52.1	169.8	-176	51.5	0	0	0	112.2	N581 F583 R587 D588 L589 Y604 L606 L624 M628	N581-L585 WeakPolarHBondContact O-CB 3.5Å; F583-L585 VanDerWaalsContact C-N 3.31Å; L585-R587 VanDerWaalsContact C-N 3.33Å; L585-R587 PolarHBondContact O-N 2.99Å; L585-D588 PolarHBondContact O-N 2.69Å; L585-L589 HydrophobicContact CD1-CD1 3.69Å; L585-L589 HydrophobicContact CD1-CG 4.06Å; L585-L589 HydrophobicContact CG-CD1 3.87Å; L585-L589 WeakPolarHBondContact O-CB 3.4Å; L585-L589 WeakPolarHBondContact O-CD1 3.48Å; L585-L589 WeakPolarHBondContact O-CG 2.93Å; L585-L589 PolarHBondContact O-N 2.87Å; L585-Y604 HydrophobicContact CD1-CD1 4.17Å; L585-Y604 HydrophobicContact CD1-CE1 3.24Å; L585-Y604 HydrophobicContact CD1-CE2 4.43Å; L585-Y604 VanDerWaalsContact CD1-OH 3.22Å; L585-Y604 WeakPolarHBondContact CD1-OH 3.43Å; L585-L606 HydrophobicContact CD1-CD1 4.3Å; L585-L606 HydrophobicContact CD2-CD1 3.63Å; L585-L606 HydrophobicContact CD2-CD2 4.05Å; L585-L606 HydrophobicContact CD2-CG 4.49Å; L585-L624 HydrophobicContact CD2-CD2 3.97Å; L585-M628 HydrophobicContact CD1-CE 4.15Å; L585-M628 HydrophobicContact CD2-CE 3.5Å; L585-M628 VanDerWaalsContact CD2-CE 3.5Å; L585-M628 HydrophobicContact CG-CE 3.58Å
586	K	66.6	Low	62.2	Low	22 Å²	22	34.7 Å²	34.7	10%	0.096	16%	0.158	C	C	.	.	H	α-helix	trans	-55.3	-45.2	174.5	-76.2	162.1	149.5	-140.3	0	112.3	R582 F583 L589 K590 C633 D634	R582-K586 HydrophobicContact CG-CD 3.98Å; R582-K586 WeakPolarHBondContact O-CB 3.31Å; R582-K586 WeakPolarHBondContact O-CD 3.47Å; R582-K586 WeakPolarHBondContact O-CG 3.22Å; R582-K586 PolarHBondContact O-N 3.21Å; F583-K586 PolarHBondContact O-N 3.01Å; K586-L589 CarbonylContact O-C 3.53Å; K586-L589 PolarHBondContact O-N 2.91Å; K586-K590 VanDerWaalsContact O-CB 3.26Å; K586-K590 WeakPolarHBondContact O-CB 3.37Å; K586-K590 PolarHBondContact O-N 2.68Å; K586-C633 VanDerWaalsContact CG-SG 3.6Å; K586-D634 WeakPolarHBondContact CD-OD2 3.44Å; K586-D634 WeakPolarHBondContact CE-OD1 3.16Å; K586-D634 VanDerWaalsContact CE-OD2 3.23Å; K586-D634 WeakPolarHBondContact CE-OD2 3.41Å; K586-D634 HydrophobicContact CG-CB 4.3Å; K586-D634 IonicContact NZ-OD1 3.28Å; K586-D634 PolarHBondContact NZ-OD1 3.28Å; K586-D634 IonicContact NZ-OD2 2.78Å; K586-D634 PolarHBondContact NZ-OD2 2.66Å
587	R	66.5	Low	64.6	Low	93 Å²	93	34 Å²	34	35%	0.351	16%	0.156	S	C	.	.	H	α-helix	trans	-70.3	-43.3	-177.1	-174.5	-155.9	71.1	173.4	-0.6	110.9	F583 L585 K590 F591	F583-R587 HydrophobicContact CD1-CB 4.16Å; F583-R587 HydrophobicContact CE1-CB 4.31Å; F583-R587 HydrophobicContact CE1-CG 4.47Å; F583-R587 WeakPolarHBondContact O-CA 3.11Å; F583-R587 WeakPolarHBondContact O-CB 3.18Å; F583-R587 PolarHBondContact O-N 3.43Å; L585-R587 VanDerWaalsContact C-N 3.33Å; L585-R587 PolarHBondContact O-N 2.99Å; R587-K590 CarbonylContact O-C 2.87Å; R587-K590 PolarHBondContact O-N 3.47Å; R587-F591 WeakPolarHBondContact O-CB 3.43Å; R587-F591 PolarHBondContact O-N 3.11Å
588	D	74.6	Confident	67.1	Low	21 Å²	21	31.8 Å²	31.8	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-69.3	-36.6	176	-76.6	22.2	0	0	0	110.5	A529 F584 L585 F591 V592 Y604	A529-D588 HydrophobicContact CB-CB 4.19Å; F584-D588 WeakPolarHBondContact O-CB 3.21Å; F584-D588 VanDerWaalsContact O-CG 3.32Å; F584-D588 PolarHBondContact O-N 2.81Å; L585-D588 PolarHBondContact O-N 2.69Å; D588-F591 PolarHBondContact O-N 2.81Å; D588-V592 WeakPolarHBondContact O-CB 3.26Å; D588-V592 WeakPolarHBondContact O-CG2 3.35Å; D588-V592 PolarHBondContact O-N 2.89Å; D588-Y604 HydrophobicContact CB-CE2 4.36Å
589	L	83.8	Confident	69.1	Low	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-39.2	168.8	-69.8	166.8	0	0	0	111.8	I465 V467 L585 K586 V592 E593 Y604 M628 I638	I465-L589 HydrophobicContact CB-CD2 4.38Å; I465-L589 HydrophobicContact CD1-CB 4.11Å; I465-L589 HydrophobicContact CD1-CD2 3.79Å; I465-L589 WeakPolarHBondContact CD1-O 3.39Å; I465-L589 HydrophobicContact CG2-CD2 3.77Å; V467-L589 HydrophobicContact CG2-CD2 4.48Å; L585-L589 HydrophobicContact CD1-CD1 3.69Å; L585-L589 HydrophobicContact CD1-CG 4.06Å; L585-L589 HydrophobicContact CG-CD1 3.87Å; L585-L589 WeakPolarHBondContact O-CB 3.4Å; L585-L589 WeakPolarHBondContact O-CD1 3.48Å; L585-L589 WeakPolarHBondContact O-CG 2.93Å; L585-L589 PolarHBondContact O-N 2.87Å; K586-L589 CarbonylContact O-C 3.53Å; K586-L589 PolarHBondContact O-N 2.91Å; L589-V592 PolarHBondContact O-N 3.39Å; L589-E593 WeakPolarHBondContact O-CB 3.12Å; L589-E593 PolarHBondContact O-N 2.58Å; L589-Y604 HydrophobicContact CD2-CD1 4.35Å; L589-Y604 HydrophobicContact CD2-CD2 3.78Å; L589-Y604 HydrophobicContact CD2-CE2 4.15Å; L589-Y604 HydrophobicContact CD2-CG 3.88Å; L589-Y604 HydrophobicContact CG-CE2 4.41Å; L589-M628 HydrophobicContact CD1-CE 3.45Å; L589-M628 VanDerWaalsContact CD1-CE 3.45Å; L589-I638 HydrophobicContact CD1-CD1 3.98Å
590	K	82.5	Confident	71.4	Confident	84 Å²	84	36.5 Å²	36.5	37%	0.365	18%	0.176	S	C	.	.	H	α-helix	trans	-71.3	-33.7	176.7	-161.9	64	171.2	-178.4	0	112.4	K586 R587 E593 S594 D634 V636	K586-K590 VanDerWaalsContact O-CB 3.26Å; K586-K590 WeakPolarHBondContact O-CB 3.37Å; K586-K590 PolarHBondContact O-N 2.68Å; R587-K590 CarbonylContact O-C 2.87Å; R587-K590 PolarHBondContact O-N 3.47Å; K590-E593 WeakPolarHBondContact CD-OE2 3.44Å; K590-E593 WeakPolarHBondContact CE-OE2 3.3Å; K590-E593 IonicContact NZ-OE2 2.7Å; K590-E593 PolarHBondContact NZ-OE2 2.95Å; K590-S594 VanDerWaalsContact O-CB 3.3Å; K590-S594 WeakPolarHBondContact O-CB 3.33Å; K590-S594 PolarHBondContact O-N 3.31Å; K590-S594 PolarHBondContact O-OG 3.01Å; K590-D634 PolarHBondContact NZ-O 2.9Å; K590-V636 HydrophobicContact CB-CG2 4.17Å; K590-V636 HydrophobicContact CD-CG2 3.4Å; K590-V636 HydrophobicContact CG-CG2 4.44Å
591	F	82.3	Confident	73.9	Confident	67 Å²	67	39.8 Å²	39.8	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-66.8	-46.8	171.8	175.6	-101.9	0	0	0	110.5	N272 A529 L530 R587 D588 S594 R595	N272-F591 WeakPolarHBondContact ND2-CE2 3.45Å; N272-F591 VanDerWaalsContact ND2-CZ 3.26Å; N272-F591 WeakPolarHBondContact ND2-CZ 3.27Å; A529-F591 HydrophobicContact CB-CD1 4.14Å; A529-F591 HydrophobicContact CB-CE1 4.35Å; L530-F591 HydrophobicContact CD1-CE1 4Å; L530-F591 HydrophobicContact CD1-CZ 4.22Å; L530-F591 HydrophobicContact CD2-CE1 4.5Å; L530-F591 HydrophobicContact CG-CD1 4.33Å; L530-F591 HydrophobicContact CG-CE1 3.78Å; L530-F591 HydrophobicContact CG-CZ 4.48Å; R587-F591 WeakPolarHBondContact O-CB 3.43Å; R587-F591 PolarHBondContact O-N 3.11Å; D588-F591 PolarHBondContact O-N 2.81Å; F591-S594 PolarHBondContact O-N 3.1Å; F591-S594 PolarHBondContact O-OG 2.75Å; F591-R595 HydrophobicContact CD2-CG 3.95Å; F591-R595 HydrophobicContact CE2-CG 4.11Å; F591-R595 HydrophobicContact CG-CG 4.48Å; F591-R595 WeakPolarHBondContact O-CA 3.36Å; F591-R595 WeakPolarHBondContact O-CB 3.43Å; F591-R595 VanDerWaalsContact O-CG 3.27Å; F591-R595 WeakPolarHBondContact O-CG 3.49Å; F591-R595 PolarHBondContact O-N 3.25Å
592	V	86.5	Confident	76.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-48.3	171.9	171.1	0	0	0	0	110.4	I465 A529 L530 D588 L589 S594 R595 W596 P602	I465-V592 HydrophobicContact CD1-CB 3.92Å; I465-V592 HydrophobicContact CD1-CG1 3.71Å; I465-V592 HydrophobicContact CG1-CG1 4.2Å; A529-V592 HydrophobicContact CB-CG2 4.15Å; L530-V592 HydrophobicContact CD2-CG2 4.18Å; D588-V592 WeakPolarHBondContact O-CB 3.26Å; D588-V592 WeakPolarHBondContact O-CG2 3.35Å; D588-V592 PolarHBondContact O-N 2.89Å; L589-V592 PolarHBondContact O-N 3.39Å; V592-S594 PolarHBondContact O-N 3.32Å; V592-R595 PolarHBondContact O-N 2.82Å; V592-W596 HydrophobicContact CG1-CE3 4.31Å; V592-W596 WeakPolarHBondContact O-CB 3.48Å; V592-W596 PolarHBondContact O-N 3.48Å; V592-P602 HydrophobicContact CG1-CB 3.53Å; V592-P602 HydrophobicContact CG1-CG 3.67Å
593	E	88.5	Confident	78.8	Confident	17 Å²	17	36.3 Å²	36.3	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-48.7	178.3	-174.8	-174.7	-135.7	0	0	112.2	P463 I465 L589 K590 V636	P463-E593 VanDerWaalsContact CD-O 3.3Å; P463-E593 WeakPolarHBondContact CD-O 3.17Å; P463-E593 HydrophobicContact CG-CG 4.27Å; P463-E593 VanDerWaalsContact CG-O 3.28Å; P463-E593 WeakPolarHBondContact CG-O 3.44Å; I465-E593 HydrophobicContact CD1-CB 4.28Å; L589-E593 WeakPolarHBondContact O-CB 3.12Å; L589-E593 PolarHBondContact O-N 2.58Å; K590-E593 WeakPolarHBondContact CD-OE2 3.44Å; K590-E593 WeakPolarHBondContact CE-OE2 3.3Å; K590-E593 IonicContact NZ-OE2 2.7Å; K590-E593 PolarHBondContact NZ-OE2 2.95Å; E593-V636 HydrophobicContact CB-CG1 3.93Å; E593-V636 HydrophobicContact CB-CG2 4.38Å; E593-V636 HydrophobicContact CG-CG1 4.27Å
594	S	83.1	Confident	81.1	Confident	72 Å²	72	34.9 Å²	34.9	50%	0.503	17%	0.166	S	C	.	.	H	α-helix	trans	-79.6	-25.2	-174.6	59.5	0	0	0	0	114	K590 F591 V592	K590-S594 VanDerWaalsContact O-CB 3.3Å; K590-S594 WeakPolarHBondContact O-CB 3.33Å; K590-S594 PolarHBondContact O-N 3.31Å; K590-S594 PolarHBondContact O-OG 3.01Å; F591-S594 PolarHBondContact O-N 3.1Å; F591-S594 PolarHBondContact O-OG 2.75Å; V592-S594 PolarHBondContact O-N 3.32Å
595	R	85.6	Confident	83	Confident	60 Å²	60	33.3 Å²	33.3	23%	0.226	16%	0.159	C	C	.	.	H	α-helix	trans	-113.5	-6.8	-172.4	-51.9	-49.2	-170.7	102.6	-4.7	114.9	N272 T276 L530 F591 V592 Q597	N272-R595 WeakPolarHBondContact OD1-CD 3.16Å; N272-R595 PolarHBondContact OD1-NH1 3.06Å; T276-R595 PolarHBondContact OG1-NH1 3.08Å; L530-R595 HydrophobicContact CD1-CB 4.06Å; L530-R595 HydrophobicContact CD2-CB 4.25Å; F591-R595 HydrophobicContact CD2-CG 3.95Å; F591-R595 HydrophobicContact CE2-CG 4.11Å; F591-R595 HydrophobicContact CG-CG 4.48Å; F591-R595 WeakPolarHBondContact O-CA 3.36Å; F591-R595 WeakPolarHBondContact O-CB 3.43Å; F591-R595 VanDerWaalsContact O-CG 3.27Å; F591-R595 WeakPolarHBondContact O-CG 3.49Å; F591-R595 PolarHBondContact O-N 3.25Å; V592-R595 PolarHBondContact O-N 2.82Å; R595-Q597 PolarHBondContact O-N 2.81Å
596	W	87.9	Confident	84.2	Confident	18 Å²	18	33.2 Å²	33.2	7%	0.068	16%	0.159	C	C	.	.			trans	-63.8	117	173.9	-167.9	-99.6	0	0	0	111.5	P463 L530 S533 K534 V592 L598 S600 P602 C651	P463-W596 HydrophobicContact CG-CB 4.24Å; L530-W596 HydrophobicContact CD2-CE3 3.97Å; L530-W596 WeakPolarHBondContact O-CZ3 3.42Å; S533-W596 WeakPolarHBondContact O-CH2 3.42Å; K534-W596 HydrophobicContact CG-CH2 4.05Å; V592-W596 HydrophobicContact CG1-CE3 4.31Å; V592-W596 WeakPolarHBondContact O-CB 3.48Å; V592-W596 PolarHBondContact O-N 3.48Å; W596-L598 HydrophobicContact CH2-CD1 3.86Å; W596-L598 HydrophobicContact CZ2-CB 4.04Å; W596-L598 HydrophobicContact CZ2-CD1 3.95Å; W596-L598 HydrophobicContact CZ2-CG 4.34Å; W596-L598 HydrophobicContact CZ3-CD1 4.23Å; W596-S600 PolarHBondContact NE1-O 3.42Å; W596-P602 HydrophobicContact CD2-CB 3.79Å; W596-P602 HydrophobicContact CD2-CG 4.02Å; W596-P602 HydrophobicContact CE3-CB 3.73Å; W596-P602 HydrophobicContact CE3-CG 4.37Å; W596-P602 HydrophobicContact CG-CB 4.46Å; W596-P602 HydrophobicContact CG-CG 4.19Å; W596-P602 HydrophobicContact CH2-CB 3.83Å; W596-P602 HydrophobicContact CZ2-CB 3.91Å; W596-P602 HydrophobicContact CZ3-CB 3.76Å; W596-C651 HydrophobicContact CH2-CB 4.07Å; W596-C651 HydrophobicContact CZ2-CB 3.52Å
597	Q	83.6	Confident	85.1	Confident	43 Å²	43	32.3 Å²	32.3	20%	0.201	16%	0.155	C	C	.	.			trans	-127.2	14.6	178.5	-63.7	-155	-69.2	0	0	113.6	F456 Q457 G458 R595	F456-Q597 CarbonylContact C-O 3.59Å; F456-Q597 VanDerWaalsContact CA-O 3.27Å; F456-Q597 WeakPolarHBondContact CA-O 3.38Å; F456-Q597 HydrophobicContact CD1-CB 3.93Å; F456-Q597 HydrophobicContact CE1-CB 4.47Å; Q457-Q597 PolarHBondContact N-O 3.43Å; G458-Q597 PolarHBondContact N-O 3.37Å; R595-Q597 PolarHBondContact O-N 2.81Å
598	L	85.4	Confident	85.9	Confident	3 Å²	3	28 Å²	28	2%	0.016	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-84.6	161.7	175.1	-50.9	-179.1	0	0	0	110.6	V268 F456 K534 W596	V268-L598 HydrophobicContact CG1-CD2 4.27Å; V268-L598 HydrophobicContact CG2-CD1 4.28Å; V268-L598 HydrophobicContact CG2-CD2 4.13Å; F456-L598 HydrophobicContact CD1-CD2 3.9Å; F456-L598 HydrophobicContact CE1-CD2 3.7Å; F456-L598 HydrophobicContact CG-CD2 4.49Å; F456-L598 HydrophobicContact CZ-CD2 4.15Å; K534-L598 HydrophobicContact CD-CD1 4.35Å; K534-L598 HydrophobicContact CG-CD1 4.43Å; W596-L598 HydrophobicContact CH2-CD1 3.86Å; W596-L598 HydrophobicContact CZ2-CB 4.04Å; W596-L598 HydrophobicContact CZ2-CD1 3.95Å; W596-L598 HydrophobicContact CZ2-CG 4.34Å; W596-L598 HydrophobicContact CZ3-CD1 4.23Å
599	D	76.8	Confident	85.9	Confident	49 Å²	49	28.6 Å²	28.6	26%	0.262	14%	0.14	S	C	.	.	S	Bend	trans	-67.3	157.9	161.6	-155.4	-4.2	0	0	0	110.5	K448 T455 Q457 C651	K448-D599 IonicContact NZ-OD1 3.77Å; K448-D599 PolarHBondContact NZ-OD1 3.28Å; K448-D599 IonicContact NZ-OD2 2.6Å; K448-D599 PolarHBondContact NZ-OD2 2.99Å; T455-D599 PolarHBondContact O-N 3.15Å; T455-D599 VanDerWaalsContact O-N 3.12Å; Q457-D599 VanDerWaalsContact CD-OD2 3.31Å; Q457-D599 PolarHBondContact NE2-OD2 3.07Å; Q457-D599 PolarHBondContact OE1-OD2 3.41Å; D599-C651 PolarHBondContact O-SG 3.37Å
600	S	85.2	Confident	85.3	Confident	63 Å²	63	30.3 Å²	30.3	44%	0.441	15%	0.148	S	C	.	.	S	Bend	trans	59.4	177.2	-170	-64.9	0	0	0	0	115.2	W596 S650	W596-S600 PolarHBondContact NE1-O 3.42Å; S600-S650 VanDerWaalsContact CB-C 3.5Å; S600-S650 WeakPolarHBondContact CB-O 3.43Å; S600-S650 PolarHBondContact OG-O 3.48Å
601	R	89.4	Confident	84.3	Confident	85 Å²	85	30.4 Å²	30.4	32%	0.321	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-88	149.7	-174.4	-61.5	-176.2	-178.7	-163.2	4.3	112.4	Q466 S649 S650 C651	Q466-R601 HydrophobicContact CG-CB 4.35Å; R601-S649 WeakPolarHBondContact CB-O 3.47Å; R601-S649 PolarHBondContact N-O 2.71Å; R601-S650 CarbonylContact O-C 3.56Å; R601-C651 PolarHBondContact O-N 2.91Å
602	P	93.5	Very high	83.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.			trans	-69.9	137	165.6	26	-27.9	0	0	0	110.5	I465 Q466 S533 V592 W596	I465-P602 HydrophobicContact CB-CG 4.37Å; I465-P602 HydrophobicContact CG1-CG 4.02Å; I465-P602 HydrophobicContact CG2-CG 4.29Å; Q466-P602 WeakPolarHBondContact CB-O 3.32Å; Q466-P602 PolarHBondContact N-O 3.34Å; S533-P602 WeakPolarHBondContact O-CA 3.46Å; V592-P602 HydrophobicContact CG1-CB 3.53Å; V592-P602 HydrophobicContact CG1-CG 3.67Å; W596-P602 HydrophobicContact CD2-CB 3.79Å; W596-P602 HydrophobicContact CD2-CG 4.02Å; W596-P602 HydrophobicContact CE3-CB 3.73Å; W596-P602 HydrophobicContact CE3-CG 4.37Å; W596-P602 HydrophobicContact CG-CB 4.46Å; W596-P602 HydrophobicContact CG-CG 4.19Å; W596-P602 HydrophobicContact CH2-CB 3.83Å; W596-P602 HydrophobicContact CZ2-CB 3.91Å; W596-P602 HydrophobicContact CZ3-CB 3.76Å
603	T	94.2	Very high	82.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	104.4	174.9	-52.2	0	0	0	0	109	Q466 S533 I535 L544 L643 L646 S650	Q466-T603 HydrophobicContact CB-CG2 4.38Å; Q466-T603 CarbonylContact O-C 3.52Å; Q466-T603 WeakPolarHBondContact O-CA 3.41Å; Q466-T603 PolarHBondContact OE1-OG1 2.87Å; S533-T603 CarbonylContact C-O 3.56Å; S533-T603 WeakPolarHBondContact CA-O 2.96Å; S533-T603 PolarHBondContact O-N 3.44Å; I535-T603 HydrophobicContact CD1-CG2 4.32Å; L544-T603 HydrophobicContact CD1-CG2 4.44Å; T603-L643 HydrophobicContact CG2-CD1 4.27Å; T603-L646 HydrophobicContact CG2-CB 4.43Å; T603-L646 HydrophobicContact CG2-CD1 4.43Å; T603-S650 WeakPolarHBondContact OG1-CB 3.46Å
604	Y	93	Very high	80.9	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.8	-175.9	-168.2	-78.3	0	0	0	110.4	Q466 V467 A468 P547 F550 L585 D588 L589	Q466-Y604 PolarHBondContact O-N 3.01Å; V467-Y604 WeakPolarHBondContact CA-O 3.27Å; A468-Y604 PolarHBondContact N-O 2.79Å; P547-Y604 HydrophobicContact CG-CD2 4.43Å; P547-Y604 HydrophobicContact CG-CE1 4.09Å; P547-Y604 HydrophobicContact CG-CE2 3.77Å; F550-Y604 HydrophobicContact CE2-CE1 4.28Å; L585-Y604 HydrophobicContact CD1-CD1 4.17Å; L585-Y604 HydrophobicContact CD1-CE1 3.24Å; L585-Y604 HydrophobicContact CD1-CE2 4.43Å; L585-Y604 VanDerWaalsContact CD1-OH 3.22Å; L585-Y604 WeakPolarHBondContact CD1-OH 3.43Å; D588-Y604 HydrophobicContact CB-CE2 4.36Å; L589-Y604 HydrophobicContact CD2-CD1 4.35Å; L589-Y604 HydrophobicContact CD2-CD2 3.78Å; L589-Y604 HydrophobicContact CD2-CE2 4.15Å; L589-Y604 HydrophobicContact CD2-CG 3.88Å; L589-Y604 HydrophobicContact CG-CE2 4.41Å
605	C	92.1	Very high	79.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112	174.4	-169.4	0	0	0	0	110.6	L544 C545 P547	L544-C605 HydrophobicContact CD1-CB 4.24Å; L544-C605 HydrophobicContact CD2-CB 3.66Å; L544-C605 HydrophobicContact CG-CB 3.75Å; C545-C605 WeakPolarHBondContact O-CB 3.28Å; P547-C605 WeakPolarHBondContact CD-O 3.34Å
606	L	87.9	Confident	78.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	97.6	172.4	178	55.2	0	0	0	108.7	V467 A468 M469 I470 F550 L585 L608 L625 M628	V467-L606 HydrophobicContact CG1-CB 4.06Å; A468-L606 PolarHBondContact O-N 2.74Å; M469-L606 HydrophobicContact CE-CD2 4.14Å; M469-L606 HydrophobicContact CG-CD2 4.23Å; I470-L606 PolarHBondContact N-O 3.04Å; F550-L606 HydrophobicContact CE1-CD1 3.85Å; F550-L606 HydrophobicContact CE2-CD1 4.28Å; F550-L606 HydrophobicContact CZ-CD1 3.45Å; F550-L606 VanDerWaalsContact CZ-CD1 3.45Å; L585-L606 HydrophobicContact CD1-CD1 4.3Å; L585-L606 HydrophobicContact CD2-CD1 3.63Å; L585-L606 HydrophobicContact CD2-CD2 4.05Å; L585-L606 HydrophobicContact CD2-CG 4.49Å; L606-L608 HydrophobicContact CD1-CD2 3.87Å; L606-L608 HydrophobicContact CD2-CD2 4.11Å; L606-L608 HydrophobicContact CG-CD2 3.68Å; L606-L608 HydrophobicContact CG-CG 4.19Å; L606-L625 HydrophobicContact CD2-CD2 3.83Å; L606-M628 HydrophobicContact CD2-SD 4.07Å
607	L	85	Confident	76.4	Confident	2 Å²	2	31 Å²	31	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.5	175.2	-176.3	60.3	0	0	0	109.8	I470 Y546 F550 K609	I470-L607 HydrophobicContact CB-CD1 4.18Å; I470-L607 HydrophobicContact CG2-CD1 4.04Å; Y546-L607 HydrophobicContact CD1-CD2 3.75Å; Y546-L607 HydrophobicContact CD2-CD2 4.37Å; Y546-L607 HydrophobicContact CE1-CD2 3.75Å; Y546-L607 HydrophobicContact CE2-CD2 4.36Å; Y546-L607 HydrophobicContact CG-CB 4.4Å; Y546-L607 HydrophobicContact CG-CD2 4.05Å; F550-L607 HydrophobicContact CB-CB 4.41Å; F550-L607 WeakPolarHBondContact CD1-O 3.48Å; F550-L607 HydrophobicContact CG-CB 4.47Å; L607-K609 HydrophobicContact CG-CG 4.5Å
608	L	82.3	Confident	75.6	Confident	2 Å²	2	30 Å²	30	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.9	-177.9	-58.1	-177.9	0	0	0	109.1	I470 A471 E472 L476 L480 T487 L606 V613 F621 L625	I470-L608 PolarHBondContact O-N 3.26Å; A471-L608 WeakPolarHBondContact CA-O 3.27Å; E472-L608 PolarHBondContact N-O 3.36Å; L476-L608 HydrophobicContact CD2-CB 4.12Å; L476-L608 WeakPolarHBondContact CD2-O 3.44Å; L480-L608 HydrophobicContact CD1-CD1 3.68Å; T487-L608 HydrophobicContact CG2-CD1 4.06Å; L606-L608 HydrophobicContact CD1-CD2 3.87Å; L606-L608 HydrophobicContact CD2-CD2 4.11Å; L606-L608 HydrophobicContact CG-CD2 3.68Å; L606-L608 HydrophobicContact CG-CG 4.19Å; L608-V613 HydrophobicContact CB-CG2 4.16Å; L608-V613 HydrophobicContact CD2-CG2 4.33Å; L608-F621 HydrophobicContact CD2-CE1 3.67Å; L608-F621 HydrophobicContact CD2-CZ 3.59Å; L608-L625 HydrophobicContact CD1-CD1 4.4Å; L608-L625 HydrophobicContact CD1-CD2 4.26Å
609	K	75.2	Confident	74.6	Confident	34 Å²	34	33.6 Å²	33.6	15%	0.148	18%	0.183	C	C	.	.			trans	-115.9	154	179.7	-56.9	-178	174.2	163.3	0	110.2	E472 F550 L607 D611 L612 V613	E472-K609 VanDerWaalsContact CD-CA 3.48Å; E472-K609 HydrophobicContact CG-CB 4.49Å; E472-K609 WeakPolarHBondContact OE1-CA 3.01Å; E472-K609 WeakPolarHBondContact OE2-CB 3.35Å; E472-K609 WeakPolarHBondContact OE2-CG 3.45Å; F550-K609 PolarHBondContact O-NZ 3.2Å; L607-K609 HydrophobicContact CG-CG 4.5Å; K609-D611 VanDerWaalsContact C-N 3.33Å; K609-D611 WeakPolarHBondContact CB-OD1 3.47Å; K609-D611 PolarHBondContact O-N 3.48Å; K609-L612 HydrophobicContact CB-CB 4.23Å; K609-L612 HydrophobicContact CB-CD1 4.15Å; K609-L612 HydrophobicContact CB-CG 4.08Å; K609-L612 HydrophobicContact CD-CD1 4.06Å; K609-L612 HydrophobicContact CG-CD1 4.17Å; K609-L612 PolarHBondContact O-N 2.94Å; K609-V613 WeakPolarHBondContact O-CB 3.39Å; K609-V613 VanDerWaalsContact O-CG2 3.28Å; K609-V613 WeakPolarHBondContact O-CG2 3.13Å; K609-V613 PolarHBondContact O-N 3.01Å; K609-V613 VanDerWaalsContact O-N 3.1Å
610	E	71.8	Confident	73.9	Confident	36 Å²	36	33.5 Å²	33.5	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-39	-177.5	-74.1	-172.1	-151.9	0	0	111.4	E472 S473 K475 L476 L612 V613 L614	E472-E610 PolarHBondContact OE1-N 2.88Å; S473-E610 WeakPolarHBondContact CB-OE1 3.37Å; S473-E610 PolarHBondContact OG-OE1 3.19Å; K475-E610 WeakPolarHBondContact CD-OE1 3.37Å; K475-E610 WeakPolarHBondContact CE-OE2 3.29Å; K475-E610 IonicContact NZ-OE2 3.65Å; K475-E610 PolarHBondContact NZ-OE2 3.23Å; L476-E610 HydrophobicContact CB-CG 3.87Å; L476-E610 HydrophobicContact CD1-CG 4.32Å; L476-E610 HydrophobicContact CD2-CG 4.13Å; L476-E610 HydrophobicContact CG-CG 4.33Å; E610-L612 VanDerWaalsContact C-N 3.32Å; E610-L612 PolarHBondContact O-N 3.26Å; E610-V613 PolarHBondContact O-N 3.48Å; E610-L614 HydrophobicContact CB-CD1 3.84Å; E610-L614 HydrophobicContact CB-CG 4.38Å; E610-L614 HydrophobicContact CG-CD1 4.02Å; E610-L614 VanDerWaalsContact O-CB 3.22Å; E610-L614 WeakPolarHBondContact O-CB 3.39Å; E610-L614 VanDerWaalsContact O-CG 3.23Å; E610-L614 WeakPolarHBondContact O-CG 3.41Å; E610-L614 PolarHBondContact O-N 3.28Å
611	D	61.3	Low	73.1	Confident	87 Å²	87	30.6 Å²	30.6	47%	0.465	16%	0.16	S	C	.	.	H	α-helix	trans	-67.7	-26.7	174.9	65.3	-17.2	0	0	0	114.1	K609	K609-D611 VanDerWaalsContact C-N 3.33Å; K609-D611 WeakPolarHBondContact CB-OD1 3.47Å; K609-D611 PolarHBondContact O-N 3.48Å
612	L	58.3	Low	72.6	Confident	32 Å²	32	27.4 Å²	27.4	17%	0.168	15%	0.15	C	C	.	.	H	α-helix	trans	-88.1	-15.3	178.1	-65.5	-176.2	0	0	0	114.3	F550 K609 E610	F550-L612 HydrophobicContact CD1-CD1 4.26Å; K609-L612 HydrophobicContact CB-CB 4.23Å; K609-L612 HydrophobicContact CB-CD1 4.15Å; K609-L612 HydrophobicContact CB-CG 4.08Å; K609-L612 HydrophobicContact CD-CD1 4.06Å; K609-L612 HydrophobicContact CG-CD1 4.17Å; K609-L612 PolarHBondContact O-N 2.94Å; E610-L612 VanDerWaalsContact C-N 3.32Å; E610-L612 PolarHBondContact O-N 3.26Å
613	V	64.1	Low	71.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-113.4	-39.5	-174.4	176.7	0	0	0	0	112.2	L476 L480 L608 K609 E610 F618 F621	L476-V613 HydrophobicContact CD1-CB 4.03Å; L476-V613 HydrophobicContact CD1-CG1 3.9Å; L476-V613 HydrophobicContact CD1-CG2 4.44Å; L476-V613 HydrophobicContact CD2-CG2 4.45Å; L480-V613 HydrophobicContact CD2-CG1 4.3Å; L608-V613 HydrophobicContact CB-CG2 4.16Å; L608-V613 HydrophobicContact CD2-CG2 4.33Å; K609-V613 WeakPolarHBondContact O-CB 3.39Å; K609-V613 VanDerWaalsContact O-CG2 3.28Å; K609-V613 WeakPolarHBondContact O-CG2 3.13Å; K609-V613 PolarHBondContact O-N 3.01Å; K609-V613 VanDerWaalsContact O-N 3.1Å; E610-V613 PolarHBondContact O-N 3.48Å; V613-F618 HydrophobicContact CG1-CD2 3.74Å; V613-F618 HydrophobicContact CG1-CE2 3.77Å; V613-F618 WeakPolarHBondContact O-CD2 3.17Å; V613-F621 HydrophobicContact CG1-CD1 4.22Å; V613-F621 HydrophobicContact CG2-CD1 4.05Å; V613-F621 HydrophobicContact CG2-CE1 3.72Å
614	L	62.7	Low	71	Confident	40 Å²	40	31.8 Å²	31.8	21%	0.209	17%	0.173	C	C	.	.			trans	-90.7	127.9	-171.6	-50.6	-179.3	0	0	0	111.1	L476 L479 E610 F618 Y684	L476-L614 HydrophobicContact CD1-CD2 4.22Å; L479-L614 HydrophobicContact CD2-CD2 3.27Å; E610-L614 HydrophobicContact CB-CD1 3.84Å; E610-L614 HydrophobicContact CB-CG 4.38Å; E610-L614 HydrophobicContact CG-CD1 4.02Å; E610-L614 VanDerWaalsContact O-CB 3.22Å; E610-L614 WeakPolarHBondContact O-CB 3.39Å; E610-L614 VanDerWaalsContact O-CG 3.23Å; E610-L614 WeakPolarHBondContact O-CG 3.41Å; E610-L614 PolarHBondContact O-N 3.28Å; L614-F618 HydrophobicContact CD2-CD2 4.36Å; L614-Y684 HydrophobicContact CD1-CE1 3.8Å; L614-Y684 WeakPolarHBondContact CD1-OH 3.42Å
615	G	58.9	Low	70.5	Confident	41 Å²	41	31.8 Å²	31.8	42%	0.423	17%	0.173	S	C	.	.	S	Bend	trans	156.8	-178	-178.8	0	0	0	0	0	112.1	H617 F618	G615-H617 PolarHBondContact O-N 3.5Å; G615-F618 WeakPolarHBondContact O-CB 3.36Å; G615-F618 PolarHBondContact O-N 3.39Å
616	E	50.2	Low	70.2	Confident	113 Å²	113	33.8 Å²	33.8	53%	0.528	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-26	-172.3	-73.8	178.8	89.3	0	0	115.8	K761	E616-K761 IonicContact OE2-NZ 2.76Å; E616-K761 PolarHBondContact OE2-NZ 3.31Å
617	H	53.6	Low	69.9	Low	19 Å²	19	36.3 Å²	36.3	9%	0.088	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	27.7	-176.3	-37.6	-89.5	0	0	0	113	S575 F576 F577 V578 G615 P619 K620 F621	S575-H617 PolarHBondContact OG-ND1 3.41Å; F576-H617 PolarHBondContact N-CE1 3.38Å; F576-H617 PolarHBondContact N-ND1 2.67Å; F577-H617 WeakPolarHBondContact CA-CD2 3.17Å; F577-H617 WeakPolarHBondContact CB-CD2 3.29Å; F577-H617 WeakPolarHBondContact CB-NE2 3.38Å; F577-H617 PolarHBondContact N-CD2 3.04Å; F577-H617 PolarHBondContact N-NE2 3.23Å; V578-H617 HydrophobicContact CB-CB 3.85Å; V578-H617 HydrophobicContact CG2-CB 3.79Å; G615-H617 PolarHBondContact O-N 3.5Å; H617-P619 VanDerWaalsContact O-N 3.08Å; H617-K620 HydrophobicContact CB-CB 4.26Å; H617-K620 HydrophobicContact CB-CD 4.16Å; H617-K620 HydrophobicContact CB-CG 4.33Å; H617-K620 WeakPolarHBondContact O-CB 3.31Å; H617-K620 PolarHBondContact O-N 3.25Å; H617-F621 PolarHBondContact O-N 3.23Å
618	F	66.4	Low	70	Confident	23 Å²	23	36.2 Å²	36.2	10%	0.101	20%	0.198	C	C	.	.	H	α-helix	trans	-38.7	-41.6	161.5	171.4	-90.3	0	0	0	112.7	L479 L480 Y483 V613 L614 G615 K620 F621 L622	L479-F618 HydrophobicContact CD2-CE2 4.03Å; L479-F618 HydrophobicContact CD2-CZ 4.38Å; L480-F618 HydrophobicContact CD2-CE2 4.12Å; L480-F618 HydrophobicContact CD2-CZ 4.41Å; Y483-F618 AromaticContact CD2-CE1 3.89Å; Y483-F618 HydrophobicContact CD2-CE1 3.89Å; Y483-F618 AromaticContact CD2-CZ 3.62Å; Y483-F618 HydrophobicContact CD2-CZ 3.62Å; Y483-F618 HydrophobicContact CE1-CE1 4.16Å; Y483-F618 AromaticContact CE2-CE1 3.4Å; Y483-F618 HydrophobicContact CE2-CE1 3.4Å; Y483-F618 VanDerWaalsContact CE2-CE1 3.4Å; Y483-F618 AromaticContact CE2-CZ 3.37Å; Y483-F618 HydrophobicContact CE2-CZ 3.37Å; Y483-F618 HydrophobicContact CG-CE1 4.46Å; Y483-F618 HydrophobicContact CG-CZ 4.46Å; Y483-F618 AromaticContact CZ-CE1 3.55Å; V613-F618 HydrophobicContact CG1-CD2 3.74Å; V613-F618 HydrophobicContact CG1-CE2 3.77Å; V613-F618 WeakPolarHBondContact O-CD2 3.17Å; L614-F618 HydrophobicContact CD2-CD2 4.36Å; G615-F618 WeakPolarHBondContact O-CB 3.36Å; G615-F618 PolarHBondContact O-N 3.39Å; F618-K620 PolarHBondContact O-N 3Å; F618-F621 PolarHBondContact O-N 3.1Å; F618-L622 HydrophobicContact CE1-CB 4.29Å; F618-L622 HydrophobicContact CE1-CD2 3.98Å; F618-L622 HydrophobicContact CZ-CD2 4.49Å; F618-L622 VanDerWaalsContact O-CB 3.3Å; F618-L622 WeakPolarHBondContact O-CB 3.42Å; F618-L622 PolarHBondContact O-N 2.9Å
619	P	64.6	Low	70.3	Confident	78 Å²	78	42.9 Å²	42.9	51%	0.506	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-34.2	173.5	-27.7	36.9	0	0	0	116	H617 N623	H617-P619 VanDerWaalsContact O-N 3.08Å; P619-N623 WeakPolarHBondContact O-CB 3.36Å; P619-N623 PolarHBondContact O-N 3.23Å; P619-N623 PolarHBondContact O-ND2 2.92Å
620	K	62.1	Low	70.9	Confident	47 Å²	47	46.4 Å²	46.4	20%	0.204	24%	0.243	C	C	.	.	H	α-helix	trans	-69.1	-40.6	176.3	-81.6	-175.8	164.3	-175.9	0	111.6	S575 H617 F618 L624	S575-K620 PolarHBondContact O-NZ 2.84Å; S575-K620 WeakPolarHBondContact OG-CE 3.4Å; H617-K620 HydrophobicContact CB-CB 4.26Å; H617-K620 HydrophobicContact CB-CD 4.16Å; H617-K620 HydrophobicContact CB-CG 4.33Å; H617-K620 WeakPolarHBondContact O-CB 3.31Å; H617-K620 PolarHBondContact O-N 3.25Å; F618-K620 PolarHBondContact O-N 3Å; K620-L624 PolarHBondContact O-N 3.42Å
621	F	69.1	Low	71.7	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-73.3	-38.3	176.8	-168.1	-105.8	0	0	0	111.6	V578 N581 L608 V613 H617 F618 N623 L624 L625	V578-F621 HydrophobicContact CG1-CB 3.75Å; V578-F621 HydrophobicContact CG1-CG 4.29Å; N581-F621 HydrophobicContact CB-CD2 4.07Å; N581-F621 HydrophobicContact CB-CE2 3.5Å; N581-F621 VanDerWaalsContact CB-CE2 3.5Å; N581-F621 HydrophobicContact CB-CZ 4.36Å; L608-F621 HydrophobicContact CD2-CE1 3.67Å; L608-F621 HydrophobicContact CD2-CZ 3.59Å; V613-F621 HydrophobicContact CG1-CD1 4.22Å; V613-F621 HydrophobicContact CG2-CD1 4.05Å; V613-F621 HydrophobicContact CG2-CE1 3.72Å; H617-F621 PolarHBondContact O-N 3.23Å; F618-F621 PolarHBondContact O-N 3.1Å; F621-N623 VanDerWaalsContact C-N 3.33Å; F621-N623 PolarHBondContact O-N 3.43Å; F621-L624 HydrophobicContact CD2-CD2 4.16Å; F621-L624 HydrophobicContact CE2-CD2 3.96Å; F621-L624 VanDerWaalsContact O-CB 3.3Å; F621-L624 WeakPolarHBondContact O-CB 3.47Å; F621-L624 PolarHBondContact O-N 2.82Å; F621-L624 VanDerWaalsContact O-N 3.08Å; F621-L625 HydrophobicContact CD1-CD1 3.89Å; F621-L625 HydrophobicContact CD1-CG 4.21Å; F621-L625 HydrophobicContact CE1-CD1 3.72Å; F621-L625 HydrophobicContact CE1-CD2 4Å; F621-L625 HydrophobicContact CE1-CG 3.95Å; F621-L625 HydrophobicContact CZ-CD2 4.19Å; F621-L625 HydrophobicContact CZ-CG 4.49Å; F621-L625 WeakPolarHBondContact O-CG 3.36Å; F621-L625 PolarHBondContact O-N 2.94Å
622	L	77.8	Confident	72.8	Confident	19 Å²	19	46.6 Å²	46.6	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-44.6	171.5	178.2	63.4	0	0	0	111.5	Y483 I485 F618 L624 L625 V626	Y483-L622 HydrophobicContact CD1-CD2 3.39Å; Y483-L622 HydrophobicContact CD2-CD1 4.49Å; Y483-L622 HydrophobicContact CD2-CD2 4.29Å; Y483-L622 HydrophobicContact CE1-CD2 4.03Å; Y483-L622 HydrophobicContact CG-CD1 4Å; Y483-L622 HydrophobicContact CG-CD2 3.54Å; Y483-L622 HydrophobicContact CG-CG 4.43Å; I485-L622 HydrophobicContact CD1-CD1 4.42Å; I485-L622 HydrophobicContact CG1-CD1 3.7Å; F618-L622 HydrophobicContact CE1-CB 4.29Å; F618-L622 HydrophobicContact CE1-CD2 3.98Å; F618-L622 HydrophobicContact CZ-CD2 4.49Å; F618-L622 VanDerWaalsContact O-CB 3.3Å; F618-L622 WeakPolarHBondContact O-CB 3.42Å; F618-L622 PolarHBondContact O-N 2.9Å; L622-L624 PolarHBondContact O-N 3.22Å; L622-L625 PolarHBondContact O-N 3.27Å; L622-V626 HydrophobicContact CD1-CG2 4.33Å; L622-V626 HydrophobicContact CG-CG2 4.39Å; L622-V626 WeakPolarHBondContact O-CG2 3.49Å; L622-V626 PolarHBondContact O-N 2.91Å
623	N	78	Confident	73.8	Confident	92 Å²	92	45.2 Å²	45.2	49%	0.492	24%	0.239	S	C	.	.	H	α-helix	trans	-57	-37.9	174.8	-75.3	-17.1	0	0	0	112.1	P619 F621 V626 D627	P619-N623 WeakPolarHBondContact O-CB 3.36Å; P619-N623 PolarHBondContact O-N 3.23Å; P619-N623 PolarHBondContact O-ND2 2.92Å; F621-N623 VanDerWaalsContact C-N 3.33Å; F621-N623 PolarHBondContact O-N 3.43Å; N623-V626 PolarHBondContact O-N 3.31Å; N623-D627 PolarHBondContact O-N 3.37Å
624	L	75.9	Confident	74.2	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-41.8	173.2	177.1	63.5	0	0	0	112.9	R582 L585 K620 F621 L622 V626 D627 M628 C633	R582-L624 HydrophobicContact CB-CD2 3.9Å; R582-L624 HydrophobicContact CG-CB 4.39Å; R582-L624 HydrophobicContact CG-CD1 4Å; R582-L624 HydrophobicContact CG-CD2 3.77Å; R582-L624 HydrophobicContact CG-CG 4.27Å; L585-L624 HydrophobicContact CD2-CD2 3.97Å; K620-L624 PolarHBondContact O-N 3.42Å; F621-L624 HydrophobicContact CD2-CD2 4.16Å; F621-L624 HydrophobicContact CE2-CD2 3.96Å; F621-L624 VanDerWaalsContact O-CB 3.3Å; F621-L624 WeakPolarHBondContact O-CB 3.47Å; F621-L624 PolarHBondContact O-N 2.82Å; F621-L624 VanDerWaalsContact O-N 3.08Å; L622-L624 PolarHBondContact O-N 3.22Å; L624-V626 VanDerWaalsContact C-N 3.28Å; L624-V626 PolarHBondContact O-N 3.33Å; L624-D627 WeakPolarHBondContact O-CB 3.36Å; L624-D627 PolarHBondContact O-N 2.84Å; L624-M628 HydrophobicContact CD1-CE 4.03Å; L624-M628 HydrophobicContact CG-CE 4.21Å; L624-M628 WeakPolarHBondContact O-CG 3.47Å; L624-M628 PolarHBondContact O-N 3.48Å; L624-C633 WeakPolarHBondContact CD1-SG 3.35Å
625	L	82.7	Confident	74.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-34.4	175.9	-60.7	173.5	0	0	0	111.2	M469 L480 I485 L606 L608 F621 L622 R629	M469-L625 HydrophobicContact CE-CD2 3.77Å; M469-L625 HydrophobicContact SD-CD2 4.14Å; L480-L625 HydrophobicContact CD2-CD1 3.73Å; I485-L625 HydrophobicContact CD1-CB 3.79Å; I485-L625 HydrophobicContact CG1-CB 3.88Å; I485-L625 HydrophobicContact CG1-CD1 4.49Å; I485-L625 HydrophobicContact CG2-CB 4.09Å; I485-L625 HydrophobicContact CG2-CD1 4.22Å; L606-L625 HydrophobicContact CD2-CD2 3.83Å; L608-L625 HydrophobicContact CD1-CD1 4.4Å; L608-L625 HydrophobicContact CD1-CD2 4.26Å; F621-L625 HydrophobicContact CD1-CD1 3.89Å; F621-L625 HydrophobicContact CD1-CG 4.21Å; F621-L625 HydrophobicContact CE1-CD1 3.72Å; F621-L625 HydrophobicContact CE1-CD2 4Å; F621-L625 HydrophobicContact CE1-CG 3.95Å; F621-L625 HydrophobicContact CZ-CD2 4.19Å; F621-L625 HydrophobicContact CZ-CG 4.49Å; F621-L625 WeakPolarHBondContact O-CG 3.36Å; F621-L625 PolarHBondContact O-N 2.94Å; L622-L625 PolarHBondContact O-N 3.27Å; L625-R629 WeakPolarHBondContact O-CB 3.28Å; L625-R629 PolarHBondContact O-N 2.96Å
626	V	85.3	Confident	76.1	Confident	42 Å²	42	47.8 Å²	47.8	26%	0.255	26%	0.256	S	S	.	.	H	α-helix	trans	-68	-44.6	172.8	171.8	0	0	0	0	111.3	I485 L622 N623 L624 M628 R629 N630	I485-V626 HydrophobicContact CD1-CG2 3.92Å; L622-V626 HydrophobicContact CD1-CG2 4.33Å; L622-V626 HydrophobicContact CG-CG2 4.39Å; L622-V626 WeakPolarHBondContact O-CG2 3.49Å; L622-V626 PolarHBondContact O-N 2.91Å; N623-V626 PolarHBondContact O-N 3.31Å; L624-V626 VanDerWaalsContact C-N 3.28Å; L624-V626 PolarHBondContact O-N 3.33Å; V626-M628 VanDerWaalsContact C-N 3.33Å; V626-M628 PolarHBondContact O-N 3.37Å; V626-R629 PolarHBondContact O-N 3.23Å; V626-N630 WeakPolarHBondContact CG1-ND2 3.41Å; V626-N630 WeakPolarHBondContact O-CB 3.47Å; V626-N630 PolarHBondContact O-N 3.22Å; V626-N630 PolarHBondContact O-ND2 2.74Å
627	D	83.4	Confident	78	Confident	53 Å²	53	46.6 Å²	46.6	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-51.3	-54.2	172.4	-65.9	-31	0	0	0	109.6	R582 N623 L624 R629 N630 G631 H632	R582-D627 IonicContact CZ-OD2 3.91Å; R582-D627 IonicContact NH2-OD2 3.61Å; R582-D627 PolarHBondContact NH2-OD2 3.32Å; N623-D627 PolarHBondContact O-N 3.37Å; L624-D627 WeakPolarHBondContact O-CB 3.36Å; L624-D627 PolarHBondContact O-N 2.84Å; D627-R629 PolarHBondContact O-N 2.91Å; D627-N630 CarbonylContact O-C 3.55Å; D627-N630 WeakPolarHBondContact O-CA 3.38Å; D627-N630 WeakPolarHBondContact O-CB 3.44Å; D627-N630 PolarHBondContact O-N 3.12Å; D627-N630 VanDerWaalsContact O-N 3.1Å; D627-G631 PolarHBondContact O-N 2.76Å; D627-H632 CarbonylContact C-O 3.54Å; D627-H632 WeakPolarHBondContact CB-O 3.47Å; D627-H632 PolarHBondContact O-N 3.19Å
628	M	86.1	Confident	79.8	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-43.2	178.7	-68.9	-170.1	179.9	0	0	113.3	V467 M469 L585 L589 L606 L624 V626 N630 G631 C633 I638 V640	V467-M628 HydrophobicContact CG1-SD 4.48Å; M469-M628 HydrophobicContact CE-CB 3.8Å; M469-M628 HydrophobicContact CE-CG 4.46Å; M469-M628 HydrophobicContact CE-SD 3.89Å; L585-M628 HydrophobicContact CD1-CE 4.15Å; L585-M628 HydrophobicContact CD2-CE 3.5Å; L585-M628 VanDerWaalsContact CD2-CE 3.5Å; L585-M628 HydrophobicContact CG-CE 3.58Å; L589-M628 HydrophobicContact CD1-CE 3.45Å; L589-M628 VanDerWaalsContact CD1-CE 3.45Å; L606-M628 HydrophobicContact CD2-SD 4.07Å; L624-M628 HydrophobicContact CD1-CE 4.03Å; L624-M628 HydrophobicContact CG-CE 4.21Å; L624-M628 WeakPolarHBondContact O-CG 3.47Å; L624-M628 PolarHBondContact O-N 3.48Å; V626-M628 VanDerWaalsContact C-N 3.33Å; V626-M628 PolarHBondContact O-N 3.37Å; M628-N630 PolarHBondContact O-N 3.29Å; M628-G631 WeakPolarHBondContact O-CA 3.37Å; M628-G631 PolarHBondContact O-N 2.95Å; M628-C633 HydrophobicContact CG-CB 4.28Å; M628-I638 HydrophobicContact CB-CG2 4.28Å; M628-I638 HydrophobicContact CE-CD1 4.42Å; M628-I638 HydrophobicContact CG-CD1 3.88Å; M628-I638 HydrophobicContact SD-CD1 4.49Å; M628-V640 HydrophobicContact CB-CG2 3.92Å; M628-V640 WeakPolarHBondContact O-CG2 3.1Å
629	R	87.9	Confident	81.1	Confident	142 Å²	142	48.9 Å²	48.9	54%	0.536	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-34.8	175.4	176.7	-178.1	166.1	-151.4	-7.9	111.8	G484 I485 L625 V626 D627 G631	G484-R629 VanDerWaalsContact O-CD 3.27Å; G484-R629 WeakPolarHBondContact O-CD 3.38Å; G484-R629 PolarHBondContact O-NE 2.85Å; G484-R629 PolarHBondContact O-NH1 3.24Å; I485-R629 HydrophobicContact CD1-CB 4.33Å; L625-R629 WeakPolarHBondContact O-CB 3.28Å; L625-R629 PolarHBondContact O-N 2.96Å; V626-R629 PolarHBondContact O-N 3.23Å; D627-R629 PolarHBondContact O-N 2.91Å; R629-G631 PolarHBondContact O-N 2.97Å
630	N	89.1	Confident	82.4	Confident	107 Å²	107	47.3 Å²	47.3	57%	0.572	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	9.2	173.5	-63.1	-24.2	0	0	0	113	V626 D627 M628 H632	V626-N630 WeakPolarHBondContact CG1-ND2 3.41Å; V626-N630 WeakPolarHBondContact O-CB 3.47Å; V626-N630 PolarHBondContact O-N 3.22Å; V626-N630 PolarHBondContact O-ND2 2.74Å; D627-N630 CarbonylContact O-C 3.55Å; D627-N630 WeakPolarHBondContact O-CA 3.38Å; D627-N630 WeakPolarHBondContact O-CB 3.44Å; D627-N630 PolarHBondContact O-N 3.12Å; D627-N630 VanDerWaalsContact O-N 3.1Å; M628-N630 PolarHBondContact O-N 3.29Å; N630-H632 PolarHBondContact O-N 3.25Å; N630-H632 PolarHBondContact O-ND1 3.1Å; N630-H632 VanDerWaalsContact O-ND1 3.14Å
631	G	87.6	Confident	83.8	Confident	17 Å²	17	46.4 Å²	46.4	18%	0.175	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	9.2	170.7	0	0	0	0	0	115.4	D627 M628 R629 I638	D627-G631 PolarHBondContact O-N 2.76Å; M628-G631 WeakPolarHBondContact O-CA 3.37Å; M628-G631 PolarHBondContact O-N 2.95Å; R629-G631 PolarHBondContact O-N 2.97Å; G631-I638 CarbonylContact C-O 3.48Å; G631-I638 VanDerWaalsContact CA-O 3.24Å; G631-I638 WeakPolarHBondContact CA-O 3.23Å; G631-I638 PolarHBondContact O-N 2.99Å
632	H	85.2	Confident	85	Confident	110 Å²	110	52.2 Å²	52.2	51%	0.509	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	133.4	-174.3	-63.7	87.7	0	0	0	112.2	D627 N630 V636	D627-H632 CarbonylContact C-O 3.54Å; D627-H632 WeakPolarHBondContact CB-O 3.47Å; D627-H632 PolarHBondContact O-N 3.19Å; N630-H632 PolarHBondContact O-N 3.25Å; N630-H632 PolarHBondContact O-ND1 3.1Å; N630-H632 VanDerWaalsContact O-ND1 3.14Å; H632-V636 WeakPolarHBondContact CA-O 3.43Å
633	C	80	Confident	85.8	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.02	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	119.9	168.8	-168.9	0	0	0	0	109.3	K586 L624 M628 G635 V636 I638	K586-C633 VanDerWaalsContact CG-SG 3.6Å; L624-C633 WeakPolarHBondContact CD1-SG 3.35Å; M628-C633 HydrophobicContact CG-CB 4.28Å; C633-G635 PolarHBondContact O-N 2.76Å; C633-V636 PolarHBondContact N-O 2.94Å; C633-V636 WeakPolarHBondContact O-CA 3.46Å; C633-V636 WeakPolarHBondContact O-CB 3.42Å; C633-V636 WeakPolarHBondContact O-CG2 3.49Å; C633-V636 PolarHBondContact O-N 2.96Å; C633-I638 HydrophobicContact CB-CD1 3.49Å; C633-I638 VanDerWaalsContact CB-CD1 3.49Å
634	D	70.7	Confident	86.4	Confident	81 Å²	81	50.1 Å²	50.1	43%	0.433	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	41.3	-174.7	-89.2	11.2	0	0	0	114.8	K586 K590 V636	K586-D634 WeakPolarHBondContact CD-OD2 3.44Å; K586-D634 WeakPolarHBondContact CE-OD1 3.16Å; K586-D634 VanDerWaalsContact CE-OD2 3.23Å; K586-D634 WeakPolarHBondContact CE-OD2 3.41Å; K586-D634 HydrophobicContact CG-CB 4.3Å; K586-D634 IonicContact NZ-OD1 3.28Å; K586-D634 PolarHBondContact NZ-OD1 3.28Å; K586-D634 IonicContact NZ-OD2 2.78Å; K586-D634 PolarHBondContact NZ-OD2 2.66Å; K590-D634 PolarHBondContact NZ-O 2.9Å; D634-V636 PolarHBondContact O-N 3.4Å
635	G	77.7	Confident	87.2	Confident	55 Å²	55	55.5 Å²	55.5	57%	0.567	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-2.5	-174.5	0	0	0	0	0	114.6	C633	C633-G635 PolarHBondContact O-N 2.76Å
636	V	84	Confident	87.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	130.1	167.5	-174.7	0	0	0	0	108.5	I465 K590 E593 H632 C633 D634 I638	I465-V636 HydrophobicContact CD1-CG1 3.64Å; I465-V636 HydrophobicContact CG1-CG1 4.07Å; K590-V636 HydrophobicContact CB-CG2 4.17Å; K590-V636 HydrophobicContact CD-CG2 3.4Å; K590-V636 HydrophobicContact CG-CG2 4.44Å; E593-V636 HydrophobicContact CB-CG1 3.93Å; E593-V636 HydrophobicContact CB-CG2 4.38Å; E593-V636 HydrophobicContact CG-CG1 4.27Å; H632-V636 WeakPolarHBondContact CA-O 3.43Å; C633-V636 PolarHBondContact N-O 2.94Å; C633-V636 WeakPolarHBondContact O-CA 3.46Å; C633-V636 WeakPolarHBondContact O-CB 3.42Å; C633-V636 WeakPolarHBondContact O-CG2 3.49Å; C633-V636 PolarHBondContact O-N 2.96Å; D634-V636 PolarHBondContact O-N 3.4Å; V636-I638 HydrophobicContact CG1-CG1 4.27Å
637	R	91.2	Very high	88	Confident	87 Å²	87	56.3 Å²	56.3	33%	0.328	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.2	176.7	-58.2	-167.6	-60.7	158.6	0.3	110.4	T462 I464 I465	T462-R637 PolarHBondContact O-NH2 2.85Å; T462-R637 PolarHBondContact OG1-NE 3.4Å; T462-R637 PolarHBondContact OG1-NH2 2.97Å; I464-R637 WeakPolarHBondContact CA-O 3.34Å; I464-R637 HydrophobicContact CG1-CB 4.18Å; I465-R637 PolarHBondContact N-O 2.69Å
638	I	91.3	Very high	88.2	Confident	9 Å²	9	59 Å²	59	5%	0.046	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.1	-172.5	-70.2	177.1	0	0	0	110.6	I465 V467 L589 M628 G631 C633 V636 V640	I465-I638 CarbonylContact O-C 3.55Å; I465-I638 WeakPolarHBondContact O-CA 3.19Å; V467-I638 HydrophobicContact CB-CG2 4.27Å; V467-I638 HydrophobicContact CG2-CG2 3.74Å; L589-I638 HydrophobicContact CD1-CD1 3.98Å; M628-I638 HydrophobicContact CB-CG2 4.28Å; M628-I638 HydrophobicContact CE-CD1 4.42Å; M628-I638 HydrophobicContact CG-CD1 3.88Å; M628-I638 HydrophobicContact SD-CD1 4.49Å; G631-I638 CarbonylContact C-O 3.48Å; G631-I638 VanDerWaalsContact CA-O 3.24Å; G631-I638 WeakPolarHBondContact CA-O 3.23Å; G631-I638 PolarHBondContact O-N 2.99Å; C633-I638 HydrophobicContact CB-CD1 3.49Å; C633-I638 VanDerWaalsContact CB-CD1 3.49Å; V636-I638 HydrophobicContact CG1-CG1 4.27Å; I638-V640 HydrophobicContact CG2-CG2 4.01Å
639	Q	93.6	Very high	88.5	Confident	82 Å²	82	60.8 Å²	60.8	38%	0.383	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	96.8	168.7	-178	-178.8	-1	0	0	108.8	I464 I465 Q466 V467	I464-Q639 HydrophobicContact CG2-CB 3.84Å; I465-Q639 PolarHBondContact O-N 2.85Å; Q466-Q639 WeakPolarHBondContact CA-O 3.29Å; Q466-Q639 HydrophobicContact CG-CB 4.48Å; V467-Q639 PolarHBondContact N-O 3.14Å
640	V	92.5	Very high	88.6	Confident	44 Å²	44	54.5 Å²	54.5	27%	0.267	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.9	168.4	-176.9	0	0	0	0	109	V467 M469 M628 I638	V467-V640 HydrophobicContact CB-CG2 4.31Å; V467-V640 WeakPolarHBondContact O-CA 3.31Å; M469-V640 HydrophobicContact CE-CG1 4.19Å; M469-V640 HydrophobicContact CE-CG2 3.75Å; M469-V640 HydrophobicContact CG-CG1 4.14Å; M469-V640 HydrophobicContact SD-CG1 3.93Å; M628-V640 HydrophobicContact CB-CG2 3.92Å; M628-V640 WeakPolarHBondContact O-CG2 3.1Å; I638-V640 HydrophobicContact CG2-CG2 4.01Å
641	G	91.8	Very high	88.6	Confident	29 Å²	29	49.7 Å²	49.7	30%	0.299	28%	0.279	S	S	.	.			trans	-170	167.7	177	0	0	0	0	0	113.7	V467	V467-G641 PolarHBondContact O-N 2.83Å
642	R	94.1	Very high	88.6	Confident	124 Å²	124	51.5 Å²	51.5	47%	0.468	29%	0.288	S	S	.	.			trans	-65.5	134.4	173.3	-68.5	-169.5	68.7	142.9	3.5	110.4	Q488 Q644 N645 L646	Q488-R642 VanDerWaalsContact OE1-CB 3.29Å; R642-Q644 VanDerWaalsContact C-N 3.29Å; R642-Q644 PolarHBondContact O-N 3.45Å; R642-N645 WeakPolarHBondContact O-CB 3.37Å; R642-N645 PolarHBondContact O-N 3.22Å; R642-L646 PolarHBondContact O-N 2.82Å
643	L	92.9	Very high	88.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-42.9	-171.3	-179	50.1	0	0	0	112.1	A468 V493 V496 I498 I535 L544 T603 N645 L646 L647	A468-L643 HydrophobicContact CB-CB 4.25Å; A468-L643 HydrophobicContact CB-CD1 4.13Å; V493-L643 HydrophobicContact CB-CD2 4.13Å; V493-L643 HydrophobicContact CG1-CB 3.98Å; V493-L643 HydrophobicContact CG1-CD2 4.01Å; V496-L643 HydrophobicContact CB-CD2 4.07Å; V496-L643 HydrophobicContact CG1-CD2 3.69Å; V496-L643 HydrophobicContact CG1-CG 4.37Å; I498-L643 HydrophobicContact CD1-CD2 4.09Å; I535-L643 HydrophobicContact CD1-CD1 4.26Å; L544-L643 HydrophobicContact CB-CD2 4.37Å; L544-L643 HydrophobicContact CD2-CD1 3.77Å; L544-L643 HydrophobicContact CD2-CD2 3.64Å; L544-L643 HydrophobicContact CD2-CG 4.38Å; T603-L643 HydrophobicContact CG2-CD1 4.27Å; L643-N645 PolarHBondContact O-N 3.07Å; L643-N645 VanDerWaalsContact O-N 3.12Å; L643-L646 PolarHBondContact O-N 3.03Å; L643-L647 HydrophobicContact CD1-CD2 3.92Å; L643-L647 HydrophobicContact CG-CD2 4.17Å; L643-L647 WeakPolarHBondContact O-CG 3.25Å; L643-L647 PolarHBondContact O-N 2.75Å
644	Q	92.1	Very high	88.9	Confident	66 Å²	66	51.1 Å²	51.1	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-54.2	-33.1	177.3	-64.8	94	-5.5	0	0	113.5	Q492 R642	Q492-Q644 PolarHBondContact O-NE2 2.86Å; R642-Q644 VanDerWaalsContact C-N 3.29Å; R642-Q644 PolarHBondContact O-N 3.45Å
645	N	92.5	Very high	89.5	Confident	113 Å²	113	47.2 Å²	47.2	60%	0.604	27%	0.266	S	S	*	.	H	α-helix	trans	-78.9	-34	179.3	-62.7	-2.7	0	0	0	111.9	R642 L643 S648	R642-N645 WeakPolarHBondContact O-CB 3.37Å; R642-N645 PolarHBondContact O-N 3.22Å; L643-N645 PolarHBondContact O-N 3.07Å; L643-N645 VanDerWaalsContact O-N 3.12Å; N645-S648 PolarHBondContact O-OG 3.09Å
646	L	92.7	Very high	89.4	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-72.2	-32.6	-176	-56.3	172.5	0	0	0	111.8	Q466 A468 T603 R642 L643 S648 S649 S650	Q466-L646 HydrophobicContact CB-CD1 4.2Å; Q466-L646 HydrophobicContact CB-CD2 4.01Å; Q466-L646 HydrophobicContact CB-CG 4.46Å; Q466-L646 HydrophobicContact CG-CD2 3.99Å; A468-L646 HydrophobicContact CB-CD1 4.33Å; T603-L646 HydrophobicContact CG2-CB 4.43Å; T603-L646 HydrophobicContact CG2-CD1 4.43Å; R642-L646 PolarHBondContact O-N 2.82Å; L643-L646 PolarHBondContact O-N 3.03Å; L646-S648 PolarHBondContact O-N 2.63Å; L646-S649 PolarHBondContact O-N 2.98Å; L646-S649 PolarHBondContact O-OG 3.13Å; L646-S650 PolarHBondContact O-N 2.93Å
647	L	91.5	Very high	88.9	Confident	56 Å²	56	49.8 Å²	49.8	29%	0.293	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-43.1	-46.5	-179	-54	-173.1	0	0	0	112.9	V496 I535 L643 S649 S650	V496-L647 HydrophobicContact CG2-CD1 4.03Å; V496-L647 HydrophobicContact CG2-CD2 4.21Å; I535-L647 HydrophobicContact CD1-CD2 3.32Å; L643-L647 HydrophobicContact CD1-CD2 3.92Å; L643-L647 HydrophobicContact CG-CD2 4.17Å; L643-L647 WeakPolarHBondContact O-CG 3.25Å; L643-L647 PolarHBondContact O-N 2.75Å; L647-S649 PolarHBondContact O-N 2.75Å; L647-S650 PolarHBondContact O-N 3.21Å; L647-S650 PolarHBondContact O-OG 3.45Å
648	S	88.6	Confident	87.5	Confident	110 Å²	110	46.3 Å²	46.3	77%	0.769	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-56.3	-19.5	-176.8	64.5	0	0	0	0	116.1	N645 L646	N645-S648 PolarHBondContact O-OG 3.09Å; L646-S648 PolarHBondContact O-N 2.63Å
649	S	90.6	Very high	85.9	Confident	38 Å²	38	51.5 Å²	51.5	27%	0.266	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-132	3.9	-177	46.4	0	0	0	0	113.7	Q466 R601 L646 L647	Q466-S649 PolarHBondContact NE2-OG 2.75Å; R601-S649 WeakPolarHBondContact CB-O 3.47Å; R601-S649 PolarHBondContact N-O 2.71Å; L646-S649 PolarHBondContact O-N 2.98Å; L646-S649 PolarHBondContact O-OG 3.13Å; L647-S649 PolarHBondContact O-N 2.75Å
650	S	90.4	Very high	84.4	Confident	10 Å²	10	55.9 Å²	55.9	7%	0.07	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-68.7	159.3	172.2	71.3	0	0	0	0	112.3	I535 S600 R601 T603 L646 L647	I535-S650 WeakPolarHBondContact CD1-OG 3.38Å; S600-S650 VanDerWaalsContact CB-C 3.5Å; S600-S650 WeakPolarHBondContact CB-O 3.43Å; S600-S650 PolarHBondContact OG-O 3.48Å; R601-S650 CarbonylContact O-C 3.56Å; T603-S650 WeakPolarHBondContact OG1-CB 3.46Å; L646-S650 PolarHBondContact O-N 2.93Å; L647-S650 PolarHBondContact O-N 3.21Å; L647-S650 PolarHBondContact O-OG 3.45Å
651	C	89.1	Confident	82.8	Confident	6 Å²	6	56.3 Å²	56.3	4%	0.041	30%	0.303	C	S	.	.			trans	-84.3	115	162.9	-165.6	0	0	0	0	109.2	I535 W596 D599 R601	I535-C651 PolarHBondContact N-O 3.35Å; W596-C651 HydrophobicContact CH2-CB 4.07Å; W596-C651 HydrophobicContact CZ2-CB 3.52Å; D599-C651 PolarHBondContact O-SG 3.37Å; R601-C651 PolarHBondContact O-N 2.91Å
652	C	88.3	Confident	81.3	Confident	54 Å²	54	59.1 Å²	59.1	37%	0.365	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.5	-177.7	-171.7	0	0	0	0	110.9	I535	I535-C652 CarbonylContact O-C 3.58Å; I535-C652 VanDerWaalsContact O-CA 3.27Å; I535-C652 WeakPolarHBondContact O-CA 3.28Å
653	E	86.8	Confident	79.8	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.1	-178.6	-167.2	160.4	119.3	0	0	111.5	S454 K534 I535 Y536 R537 L655	S454-E653 WeakPolarHBondContact CB-OE2 3.4Å; S454-E653 PolarHBondContact OG-OE2 3.24Å; K534-E653 HydrophobicContact CD-CB 4.32Å; K534-E653 VanDerWaalsContact NZ-CD 3.26Å; K534-E653 IonicContact NZ-OE1 2.78Å; K534-E653 PolarHBondContact NZ-OE1 3.34Å; K534-E653 IonicContact NZ-OE2 3.43Å; K534-E653 PolarHBondContact NZ-OE2 3.47Å; I535-E653 PolarHBondContact O-N 2.95Å; Y536-E653 CarbonylContact C-O 3.59Å; Y536-E653 WeakPolarHBondContact CA-O 3.43Å; Y536-E653 HydrophobicContact CD1-CB 4.01Å; Y536-E653 HydrophobicContact CE1-CB 4.04Å; Y536-E653 HydrophobicContact CE1-CG 4.43Å; R537-E653 PolarHBondContact N-O 3.29Å; E653-L655 HydrophobicContact CG-CD2 4.33Å
654	H	85.3	Confident	78.5	Confident	96 Å²	96	58.2 Å²	58.2	44%	0.444	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121	-176.5	-79.4	-119.1	0	0	0	111.2	D656	H654-D656 IonicContact ND1-OD1 2.68Å; H654-D656 IonicContact ND1-OD2 2.75Å
655	L	83	Confident	77.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.352	C	S	.	.			trans	-103	46.4	-180	-52.4	-171.7	0	0	0	111.2	L504 V507 F508 Y536 R537 V538 E653 F657	L504-L655 HydrophobicContact CD1-CD1 3.95Å; V507-L655 HydrophobicContact CG1-CD1 4.2Å; F508-L655 HydrophobicContact CD2-CD1 4.31Å; F508-L655 HydrophobicContact CE1-CD2 3.99Å; F508-L655 HydrophobicContact CE2-CD1 3.81Å; F508-L655 HydrophobicContact CE2-CD2 4.27Å; F508-L655 HydrophobicContact CZ-CD1 4.02Å; F508-L655 HydrophobicContact CZ-CD2 3.63Å; Y536-L655 HydrophobicContact CD1-CD1 3.68Å; Y536-L655 HydrophobicContact CD1-CD2 3.96Å; Y536-L655 HydrophobicContact CD1-CG 3.84Å; Y536-L655 HydrophobicContact CE1-CD1 4.24Å; Y536-L655 HydrophobicContact CE1-CD2 4.21Å; Y536-L655 HydrophobicContact CG-CD1 4.32Å; R537-L655 PolarHBondContact O-N 3.15Å; V538-L655 HydrophobicContact CG1-CB 4.46Å; V538-L655 HydrophobicContact CG2-CB 4.33Å; V538-L655 HydrophobicContact CG2-CD1 3.99Å; V538-L655 HydrophobicContact CG2-CG 4.34Å; E653-L655 HydrophobicContact CG-CD2 4.33Å; L655-F657 HydrophobicContact CB-CD1 4.37Å; L655-F657 HydrophobicContact CB-CE1 3.63Å; L655-F657 HydrophobicContact CB-CZ 3.84Å; L655-F657 HydrophobicContact CD1-CZ 4.47Å; L655-F657 HydrophobicContact CD2-CE1 3.77Å; L655-F657 HydrophobicContact CD2-CZ 4.22Å; L655-F657 HydrophobicContact CG-CE1 4.2Å; L655-F657 HydrophobicContact CG-CZ 4.38Å; L655-F657 PolarHBondContact O-N 3.09Å
656	D	74.1	Confident	75.8	Confident	57 Å²	57	56.6 Å²	56.6	31%	0.305	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	14.3	-173.5	-57.5	-15.4	0	0	0	114	S260 H654	S260-D656 WeakPolarHBondContact CB-OD2 3.18Å; S260-D656 VanDerWaalsContact OG-CB 3.31Å; S260-D656 WeakPolarHBondContact OG-CB 3.37Å; S260-D656 PolarHBondContact OG-OD2 3.39Å; H654-D656 IonicContact ND1-OD1 2.68Å; H654-D656 IonicContact ND1-OD2 2.75Å
657	F	73.9	Confident	74.5	Confident	52 Å²	52	64.3 Å²	64.3	23%	0.228	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.9	177.7	52.6	-98.7	0	0	0	113.4	V507 F508 I511 L655	V507-F657 HydrophobicContact CG1-CE2 4.42Å; V507-F657 HydrophobicContact CG1-CZ 4.48Å; F508-F657 HydrophobicContact CD1-CZ 4.42Å; I511-F657 HydrophobicContact CB-CD1 4.27Å; I511-F657 HydrophobicContact CB-CD2 3.87Å; I511-F657 HydrophobicContact CB-CE1 4.03Å; I511-F657 HydrophobicContact CB-CE2 3.62Å; I511-F657 HydrophobicContact CB-CG 4.21Å; I511-F657 HydrophobicContact CB-CZ 3.71Å; I511-F657 HydrophobicContact CD1-CD1 3.72Å; I511-F657 HydrophobicContact CD1-CE1 3.51Å; I511-F657 HydrophobicContact CD1-CG 4.4Å; I511-F657 HydrophobicContact CD1-CZ 4.05Å; I511-F657 HydrophobicContact CG1-CD1 3.71Å; I511-F657 HydrophobicContact CG1-CD2 4.08Å; I511-F657 HydrophobicContact CG1-CE1 3.78Å; I511-F657 HydrophobicContact CG1-CE2 4.16Å; I511-F657 HydrophobicContact CG1-CG 3.88Å; I511-F657 HydrophobicContact CG1-CZ 4.02Å; L655-F657 HydrophobicContact CB-CD1 4.37Å; L655-F657 HydrophobicContact CB-CE1 3.63Å; L655-F657 HydrophobicContact CB-CZ 3.84Å; L655-F657 HydrophobicContact CD1-CZ 4.47Å; L655-F657 HydrophobicContact CD2-CE1 3.77Å; L655-F657 HydrophobicContact CD2-CZ 4.22Å; L655-F657 HydrophobicContact CG-CE1 4.2Å; L655-F657 HydrophobicContact CG-CZ 4.38Å; L655-F657 PolarHBondContact O-N 3.09Å
658	C	62.2	Low	73.5	Confident	14 Å²	14	62.8 Å²	62.8	10%	0.095	37%	0.365	C	S	.	.			trans	-91.7	122.3	170.5	-65.4	0	0	0	0	109.3	F539	F539-C658 HydrophobicContact CD1-CB 4.44Å; F539-C658 WeakPolarHBondContact CD1-O 3.48Å; F539-C658 HydrophobicContact CE1-CB 3.4Å; F539-C658 WeakPolarHBondContact CE1-O 3.02Å; F539-C658 HydrophobicContact CZ-CB 3.62Å
659	V	57.8	Low	72.9	Confident	118 Å²	118	61.6 Å²	61.6	72%	0.715	35%	0.353	S	S	*	.			trans	-81.8	-38.9	-172.9	-172.1	0	0	0	0	111.6
660	R	61.2	Low	72.2	Confident	173 Å²	173	61.7 Å²	61.7	65%	0.653	35%	0.353	S	S	*	.			trans	-141.8	149.6	177.4	-60.8	-179.1	175.6	163.5	-1.2	111.9	F539 A662 D663	F539-R660 WeakPolarHBondContact CE1-O 2.97Å; R660-A662 PolarHBondContact O-N 3.3Å; R660-D663 PolarHBondContact N-OD2 2.77Å; R660-D663 WeakPolarHBondContact O-CB 3.42Å; R660-D663 PolarHBondContact O-N 2.98Å
661	S	59.8	Low	71.5	Confident	53 Å²	53	63.1 Å²	63.1	37%	0.371	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-56.9	-35.3	173	-173.6	0	0	0	0	112.1	D663 L664	S661-D663 PolarHBondContact O-N 3.45Å; S661-D663 VanDerWaalsContact O-N 3.13Å; S661-L664 VanDerWaalsContact O-CB 3.26Å; S661-L664 WeakPolarHBondContact O-CB 3.49Å; S661-L664 WeakPolarHBondContact O-CG 3.23Å; S661-L664 PolarHBondContact O-N 3.43Å; S661-L664 VanDerWaalsContact O-N 3.09Å
662	A	59.7	Low	71.1	Confident	88 Å²	88	70.4 Å²	70.4	73%	0.727	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-59	-23.7	175.6	0	0	0	0	0	114.4	R660 L664	R660-A662 PolarHBondContact O-N 3.3Å; A662-L664 PolarHBondContact O-N 3.13Å
663	D	63.6	Low	70.7	Confident	88 Å²	88	69.5 Å²	69.5	47%	0.471	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-74.6	-11.2	-179.9	-50.9	-32.9	0	0	0	112.4	R660 S661	R660-D663 PolarHBondContact N-OD2 2.77Å; R660-D663 WeakPolarHBondContact O-CB 3.42Å; R660-D663 PolarHBondContact O-N 2.98Å; S661-D663 PolarHBondContact O-N 3.45Å; S661-D663 VanDerWaalsContact O-N 3.13Å
664	L	65.7	Low	70.2	Confident	18 Å²	18	72.5 Å²	72.5	9%	0.094	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-79.2	-28	-177.8	-63.3	176.2	0	0	0	113.6	V507 N510 F539 S661 A662 F666 L668	V507-L664 HydrophobicContact CG2-CD1 4.11Å; V507-L664 HydrophobicContact CG2-CD2 4.38Å; N510-L664 WeakPolarHBondContact ND2-CD2 3.37Å; F539-L664 HydrophobicContact CE2-CD1 3.93Å; F539-L664 HydrophobicContact CZ-CD1 3.9Å; F539-L664 HydrophobicContact CZ-CD2 4.44Å; F539-L664 HydrophobicContact CZ-CG 4.17Å; S661-L664 VanDerWaalsContact O-CB 3.26Å; S661-L664 WeakPolarHBondContact O-CB 3.49Å; S661-L664 WeakPolarHBondContact O-CG 3.23Å; S661-L664 PolarHBondContact O-N 3.43Å; S661-L664 VanDerWaalsContact O-N 3.09Å; A662-L664 PolarHBondContact O-N 3.13Å; L664-F666 VanDerWaalsContact C-N 3.26Å; L664-F666 HydrophobicContact CB-CD1 4.05Å; L664-F666 HydrophobicContact CB-CE1 3.66Å; L664-F666 HydrophobicContact CB-CE2 4.36Å; L664-F666 HydrophobicContact CB-CZ 3.81Å; L664-F666 HydrophobicContact CD1-CE2 4.13Å; L664-F666 HydrophobicContact CD1-CZ 3.89Å; L664-F666 HydrophobicContact CD2-CE1 4.43Å; L664-F666 HydrophobicContact CD2-CZ 4.23Å; L664-F666 HydrophobicContact CG-CE1 4.45Å; L664-F666 HydrophobicContact CG-CZ 4.2Å; L664-F666 WeakPolarHBondContact O-CD1 3.19Å; L664-F666 WeakPolarHBondContact O-CE1 3.36Å; L664-F666 PolarHBondContact O-N 2.98Å; L664-L668 HydrophobicContact CD1-CD1 3.46Å; L664-L668 VanDerWaalsContact CD1-CD1 3.46Å; L664-L668 HydrophobicContact CD1-CG 3.95Å
665	G	61.4	Low	69.5	Low	79 Å²	79	74 Å²	74	81%	0.814	42%	0.419	S	S	*	.	S	Bend	trans	75.6	5	-177.3	0	0	0	0	0	115.7
666	F	66.2	Low	68.2	Low	66 Å²	66	77.1 Å²	77.1	29%	0.289	45%	0.451	S	S	.	.	S	Bend	trans	-140.9	160.3	173.2	61.4	-93.2	0	0	0	109.9	L664 L668	L664-F666 VanDerWaalsContact C-N 3.26Å; L664-F666 HydrophobicContact CB-CD1 4.05Å; L664-F666 HydrophobicContact CB-CE1 3.66Å; L664-F666 HydrophobicContact CB-CE2 4.36Å; L664-F666 HydrophobicContact CB-CZ 3.81Å; L664-F666 HydrophobicContact CD1-CE2 4.13Å; L664-F666 HydrophobicContact CD1-CZ 3.89Å; L664-F666 HydrophobicContact CD2-CE1 4.43Å; L664-F666 HydrophobicContact CD2-CZ 4.23Å; L664-F666 HydrophobicContact CG-CE1 4.45Å; L664-F666 HydrophobicContact CG-CZ 4.2Å; L664-F666 WeakPolarHBondContact O-CD1 3.19Å; L664-F666 WeakPolarHBondContact O-CE1 3.36Å; L664-F666 PolarHBondContact O-N 2.98Å; F666-L668 HydrophobicContact CE2-CD2 3.86Å; F666-L668 HydrophobicContact CE2-CG 4.05Å
667	E	64.3	Low	66.5	Low	165 Å²	165	84.1 Å²	84.1	77%	0.771	48%	0.478	S	S	*	.			trans	-89.4	129.2	-179.5	-167	163.3	-135.8	0	0	111.5	T669	E667-T669 HydrophobicContact CG-CG2 4.43Å; E667-T669 PolarHBondContact O-N 3.06Å
668	L	71.9	Confident	64.9	Low	25 Å²	25	92.2 Å²	92.2	13%	0.131	51%	0.509	C	S	.	.			trans	-82.8	108.2	175.3	-79.2	166.3	0	0	0	109.7	W499 Q503 V507 F539 L664 F666 P670	W499-L668 HydrophobicContact CD2-CD2 4.49Å; W499-L668 HydrophobicContact CE3-CD2 4.24Å; W499-L668 HydrophobicContact CH2-CD1 3.58Å; W499-L668 HydrophobicContact CH2-CD2 3.96Å; W499-L668 HydrophobicContact CH2-CG 4.36Å; W499-L668 HydrophobicContact CZ2-CD1 3.83Å; W499-L668 HydrophobicContact CZ2-CD2 4.19Å; W499-L668 HydrophobicContact CZ2-CG 4.43Å; W499-L668 HydrophobicContact CZ3-CD1 4.34Å; W499-L668 HydrophobicContact CZ3-CD2 3.99Å; Q503-L668 HydrophobicContact CB-CD2 3.95Å; Q503-L668 HydrophobicContact CG-CD2 4.22Å; V507-L668 HydrophobicContact CG2-CD1 4.28Å; V507-L668 HydrophobicContact CG2-CD2 4.28Å; F539-L668 HydrophobicContact CD2-CD1 4.48Å; F539-L668 HydrophobicContact CE2-CD1 3.88Å; L664-L668 HydrophobicContact CD1-CD1 3.46Å; L664-L668 VanDerWaalsContact CD1-CD1 3.46Å; L664-L668 HydrophobicContact CD1-CG 3.95Å; F666-L668 HydrophobicContact CE2-CD2 3.86Å; F666-L668 HydrophobicContact CE2-CG 4.05Å; L668-P670 WeakPolarHBondContact O-CD 3.15Å
669	T	74.9	Confident	63.3	Low	85 Å²	85	96.8 Å²	96.8	52%	0.521	54%	0.541	S	S	.	.			trans	-105.5	83.9	-175.1	42.3	0	0	0	0	111.7	Q503 E667	Q503-T669 PolarHBondContact NE2-O 2.75Å; Q503-T669 PolarHBondContact NE2-OG1 2.77Å; Q503-T669 VanDerWaalsContact NE2-OG1 3.15Å; E667-T669 HydrophobicContact CG-CG2 4.43Å; E667-T669 PolarHBondContact O-N 3.06Å
670	P	76.2	Confident	62.1	Low	40 Å²	40	97.4 Å²	97.4	26%	0.26	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-57.3	153.2	177.8	26.3	-35.8	0	0	0	111.3	Q497 I498 L668 Q672	Q497-P670 HydrophobicContact CB-CB 4.2Å; I498-P670 WeakPolarHBondContact O-CA 3.1Å; L668-P670 WeakPolarHBondContact O-CD 3.15Å; P670-Q672 PolarHBondContact O-N 3.26Å; P670-Q672 VanDerWaalsContact O-N 3.12Å
671	V	76.5	Confident	60.9	Low	39 Å²	39	95.3 Å²	95.3	24%	0.236	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-57.8	119	177.8	-179.1	0	0	0	0	109.2	P490 I498 Y546	P490-V671 WeakPolarHBondContact CB-O 3.3Å; P490-V671 HydrophobicContact CG-CG1 3.95Å; I498-V671 HydrophobicContact CB-CB 4.26Å; I498-V671 HydrophobicContact CB-CG2 4.41Å; I498-V671 HydrophobicContact CG2-CB 4.29Å; I498-V671 HydrophobicContact CG2-CG2 4.01Å; I498-V671 PolarHBondContact O-N 3Å; Y546-V671 HydrophobicContact CD1-CG2 4.41Å; Y546-V671 HydrophobicContact CE1-CG2 3.64Å
672	Q	81.1	Confident	59.7	Low	159 Å²	159	96.5 Å²	96.5	74%	0.743	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-91.9	159.2	174.2	-62.8	-172.4	-1.8	0	0	110.5	P670	P670-Q672 PolarHBondContact O-N 3.26Å; P670-Q672 VanDerWaalsContact O-N 3.12Å
673	E	79.9	Confident	58.3	Low	36 Å²	36	98.6 Å²	98.6	17%	0.168	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-72.8	131.7	174.9	-167.8	178.2	137.3	0	0	110.8	E472 Q474 T489 H491 V675	E472-E673 CarbonylContact O-C 3.27Å; E472-E673 WeakPolarHBondContact O-CA 3.3Å; E472-E673 WeakPolarHBondContact O-CG 3.31Å; Q474-E673 VanDerWaalsContact CG-OE1 3.24Å; Q474-E673 WeakPolarHBondContact CG-OE1 3.36Å; Q474-E673 PolarHBondContact N-OE1 3.1Å; Q474-E673 PolarHBondContact NE2-OE1 3.4Å; T489-E673 WeakPolarHBondContact CB-OE2 3.42Å; T489-E673 HydrophobicContact CG2-CG 4.38Å; T489-E673 PolarHBondContact OG1-OE2 3.2Å; H491-E673 WeakPolarHBondContact CB-OE2 3.34Å; E673-V675 PolarHBondContact O-N 3.37Å; E673-V675 VanDerWaalsContact O-N 3.08Å
674	V	75.2	Confident	56.9	Low	72 Å²	72	100.7 Å²	100.7	44%	0.436	56%	0.556	S	S	.	*			trans	-77.7	96.2	-177.5	-178.9	0	0	0	0	109.8	E472 G676	E472-V674 HydrophobicContact CB-CG2 4.01Å; E472-V674 HydrophobicContact CG-CB 4.28Å; E472-V674 HydrophobicContact CG-CG2 3.92Å; E472-V674 PolarHBondContact O-N 3.21Å; V674-G676 PolarHBondContact O-N 3.43Å
675	V	69.9	Low	55	Low	128 Å²	128	104.5 Å²	104.5	78%	0.776	58%	0.584	S	S	*	*			trans	-80.2	95.5	173	-173.9	0	0	0	0	109.4	E673	E673-V675 PolarHBondContact O-N 3.37Å; E673-V675 VanDerWaalsContact O-N 3.08Å
676	G	56.4	Low	53.6	Low	64 Å²	64	106.4 Å²	106.4	66%	0.66	58%	0.58	S	S	*	*			trans	-64.1	131.7	-178.4	0	0	0	0	0	113.5	V674 Y678	V674-G676 PolarHBondContact O-N 3.43Å; G676-Y678 VanDerWaalsContact C-N 3.31Å
677	K	38.2	Very low	52	Low	204 Å²	204	108.1 Å²	108.1	89%	0.887	60%	0.598	S	S	*	*			trans	-81.2	-3.8	171.8	-86	-172.4	174.3	-179.4	0	114.6
678	Y	40.6	Very low	50.3	Low	223 Å²	223	109.1 Å²	109.1	88%	0.875	60%	0.602	S	S	*	*			trans	-98.5	95.5	-177	-74.3	-87.9	0	0	0	110.7	G676 D680	G676-Y678 VanDerWaalsContact C-N 3.31Å; Y678-D680 PolarHBondContact O-N 3.46Å
679	S	28.9	Very low	48.6	Very low	110 Å²	110	116.5 Å²	116.5	77%	0.769	64%	0.636	S	S	*	*			trans	-79.6	88.5	164.3	55.4	0	0	0	0	109.7
680	D	32.4	Very low	46.9	Very low	130 Å²	130	116.1 Å²	116.1	70%	0.695	63%	0.634	S	S	*	*			trans	-170.1	155.1	133.7	-96.3	-32.9	0	0	0	111.2	Y678	Y678-D680 PolarHBondContact O-N 3.46Å
681	V	36.1	Very low	45	Very low	129 Å²	129	119.6 Å²	119.6	78%	0.782	65%	0.654	S	S	*	*	S	Bend	trans	-99.2	-0.6	-173.7	-174.8	0	0	0	0	111.8
682	S	34.1	Very low	43.2	Very low	79 Å²	79	120.9 Å²	120.9	55%	0.552	66%	0.662	S	S	*	*			trans	-77.5	-31.7	-177.4	43.8	0	0	0	0	114.8	Y684	S682-Y684 PolarHBondContact O-N 2.68Å
683	D	30	Very low	41.3	Very low	132 Å²	132	117.3 Å²	117.3	71%	0.706	65%	0.648	S	S	*	*			trans	-85.7	26.1	-154.7	-72.8	23.2	0	0	0	114.8	S685	D683-S685 PolarHBondContact O-N 3.09Å
684	Y	35.6	Very low	39.5	Very low	131 Å²	131	124.4 Å²	124.4	51%	0.514	68%	0.678	S	S	.	*			trans	-77.7	48.7	161.6	-62.3	-66.3	0	0	0	111.6	K475 L614 S682 V686	K475-Y684 WeakPolarHBondContact CE-OH 3.42Å; K475-Y684 PolarHBondContact NZ-OH 3.06Å; K475-Y684 VanDerWaalsContact NZ-OH 3.09Å; L614-Y684 HydrophobicContact CD1-CE1 3.8Å; L614-Y684 WeakPolarHBondContact CD1-OH 3.42Å; S682-Y684 PolarHBondContact O-N 2.68Å; Y684-V686 PolarHBondContact O-N 3.29Å
685	S	25.5	Very low	38	Very low	98 Å²	98	127.7 Å²	127.7	69%	0.685	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-59.5	133.9	163.2	-69.1	0	0	0	0	108.6	D683	D683-S685 PolarHBondContact O-N 3.09Å
686	V	31.1	Very low	37	Very low	119 Å²	119	124.5 Å²	124.5	72%	0.721	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-50.1	134.3	167.9	-179.3	0	0	0	0	107.7	Y684 Q688	Y684-V686 PolarHBondContact O-N 3.29Å; V686-Q688 PolarHBondContact O-N 2.78Å
687	P	32.4	Very low	36.6	Very low	103 Å²	103	129.5 Å²	129.5	67%	0.669	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-53.3	121.5	175.8	22.6	-33.6	0	0	0	108.3	E689	P687-E689 PolarHBondContact O-N 3.27Å
688	Q	30.1	Very low	37.2	Very low	185 Å²	185	128.7 Å²	128.7	86%	0.864	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-54.6	141.5	-177.7	-72.9	-175.4	-53.7	0	0	109.3	V686 V690	V686-Q688 PolarHBondContact O-N 2.78Å; Q688-V690 PolarHBondContact O-N 3.09Å
689	E	35	Very low	38.1	Very low	180 Å²	180	123.1 Å²	123.1	84%	0.841	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-49.6	130.1	172.6	-64.7	-177.8	127.2	0	0	108.6	P687 V691	P687-E689 PolarHBondContact O-N 3.27Å; E689-V691 VanDerWaalsContact C-N 3.33Å; E689-V691 PolarHBondContact O-N 3.19Å
690	V	39.3	Very low	39.9	Very low	77 Å²	77	122.5 Å²	122.5	47%	0.467	65%	0.645	S	S	.	*			trans	-64.4	99.7	179.7	178.3	0	0	0	0	107.1	Q688 T692	Q688-V690 PolarHBondContact O-N 3.09Å; V690-T692 PolarHBondContact O-N 3.07Å
691	V	35.9	Very low	42.1	Very low	113 Å²	113	117.1 Å²	117.1	69%	0.685	62%	0.615	S	S	*	*			trans	-64.2	101.1	174	-180	0	0	0	0	106.5	E689 D693	E689-V691 VanDerWaalsContact C-N 3.33Å; E689-V691 PolarHBondContact O-N 3.19Å; V691-D693 PolarHBondContact O-N 3.03Å
692	T	38.5	Very low	44	Very low	67 Å²	67	116.3 Å²	116.3	41%	0.411	60%	0.603	S	S	.	*			trans	-70.7	116.1	171.3	43.9	0	0	0	0	108.1	V690 K694 V765	V690-T692 PolarHBondContact O-N 3.07Å; T692-K694 PolarHBondContact O-N 2.71Å; T692-V765 HydrophobicContact CG2-CG1 3.59Å
693	D	41.6	Very low	46.2	Very low	83 Å²	83	120.8 Å²	120.8	44%	0.444	61%	0.614	S	S	.	*			trans	-56.5	133	163.5	-79.6	-43	0	0	0	108.1	V691 D695	V691-D693 PolarHBondContact O-N 3.03Å; D693-D695 VanDerWaalsContact C-N 3.3Å
694	K	42.6	Very low	48.8	Very low	186 Å²	186	116 Å²	116	81%	0.809	59%	0.59	S	S	*	*	S	Bend	trans	-89.9	0.7	-172.3	-67.4	-178.6	178.1	175.4	0	113.3	T692	T692-K694 PolarHBondContact O-N 2.71Å
695	D	44	Very low	51.4	Low	141 Å²	141	112.5 Å²	112.5	75%	0.754	59%	0.585	S	S	*	*			trans	-112.8	0.3	-159.2	-59	-13.2	0	0	0	113.3	D693 E697	D693-D695 VanDerWaalsContact C-N 3.3Å; D695-E697 PolarHBondContact O-N 3.42Å
696	D	49	Very low	54.3	Low	61 Å²	61	109.4 Å²	109.4	33%	0.326	56%	0.563	S	S	.	*			trans	-78.5	55.8	177.4	-85.2	-19.6	0	0	0	112.9	K698 K723	D696-K698 PolarHBondContact O-N 2.83Å; D696-K698 VanDerWaalsContact O-N 3.09Å; D696-K723 WeakPolarHBondContact OD1-CD 3.37Å; D696-K723 IonicContact OD1-NZ 3.55Å; D696-K723 PolarHBondContact OD1-NZ 3.02Å
697	E	47.1	Very low	56.9	Low	169 Å²	169	111.3 Å²	111.3	79%	0.79	56%	0.564	S	S	*	*			trans	-73.2	96.2	174.2	-73	-158	142.7	0	0	112.7	D695 E699	D695-E697 PolarHBondContact O-N 3.42Å; E697-E699 VanDerWaalsContact C-N 3.31Å; E697-E699 PolarHBondContact O-N 2.8Å
698	K	51.8	Low	59.5	Low	186 Å²	186	111 Å²	111	81%	0.809	55%	0.554	S	S	*	*			trans	50	33.4	153.7	-73.2	-175.6	173.3	173.8	0	117.6	D696 N700	D696-K698 PolarHBondContact O-N 2.83Å; D696-K698 VanDerWaalsContact O-N 3.09Å; K698-N700 PolarHBondContact O-N 3.04Å; K698-N700 VanDerWaalsContact O-N 3.09Å
699	E	58.1	Low	62.3	Low	107 Å²	107	102.2 Å²	102.2	50%	0.5	51%	0.512	S	S	.	.			trans	-64.2	110	171.3	-67.6	-168.2	112.9	0	0	111.1	E697 Y701 K723	E697-E699 VanDerWaalsContact C-N 3.31Å; E697-E699 PolarHBondContact O-N 2.8Å; E699-Y701 HydrophobicContact CB-CD1 4.15Å; E699-Y701 HydrophobicContact CB-CE1 3.48Å; E699-Y701 VanDerWaalsContact CB-CE1 3.48Å; E699-Y701 HydrophobicContact CB-CE2 4.25Å; E699-Y701 HydrophobicContact CG-CE1 4.24Å; E699-Y701 PolarHBondContact O-N 3.05Å; E699-Y701 VanDerWaalsContact O-N 3.13Å; E699-Y701 VanDerWaalsContact OE2-CE1 3.28Å; E699-Y701 WeakPolarHBondContact OE2-CE1 3.49Å; E699-Y701 VanDerWaalsContact OE2-CZ 3.3Å; E699-Y701 PolarHBondContact OE2-OH 2.84Å; E699-K723 IonicContact OE2-NZ 2.68Å; E699-K723 PolarHBondContact OE2-NZ 2.6Å
700	N	67.1	Low	64.7	Low	96 Å²	96	95.8 Å²	95.8	51%	0.513	48%	0.484	S	S	.	.			trans	-80.3	93	171.9	-173	8.9	0	0	0	110.9	K698 E702	K698-N700 PolarHBondContact O-N 3.04Å; K698-N700 VanDerWaalsContact O-N 3.09Å; N700-E702 PolarHBondContact ND2-OE2 3.29Å; N700-E702 PolarHBondContact O-N 3.08Å; N700-E702 WeakPolarHBondContact OD1-CB 3.36Å; N700-E702 VanDerWaalsContact OD1-CG 3.22Å; N700-E702 WeakPolarHBondContact OD1-CG 3.48Å; N700-E702 PolarHBondContact OD1-N 3.35Å; N700-E702 PolarHBondContact OD1-OE2 3.42Å
701	Y	79.1	Confident	66.9	Low	17 Å²	17	97 Å²	97	7%	0.067	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-1.7	179.9	-56.4	-58.5	0	0	0	115.3	E699 H703 T704 L712 K723 K726 L727 R734	E699-Y701 HydrophobicContact CB-CD1 4.15Å; E699-Y701 HydrophobicContact CB-CE1 3.48Å; E699-Y701 VanDerWaalsContact CB-CE1 3.48Å; E699-Y701 HydrophobicContact CB-CE2 4.25Å; E699-Y701 HydrophobicContact CG-CE1 4.24Å; E699-Y701 PolarHBondContact O-N 3.05Å; E699-Y701 VanDerWaalsContact O-N 3.13Å; E699-Y701 VanDerWaalsContact OE2-CE1 3.28Å; E699-Y701 WeakPolarHBondContact OE2-CE1 3.49Å; E699-Y701 VanDerWaalsContact OE2-CZ 3.3Å; E699-Y701 PolarHBondContact OE2-OH 2.84Å; Y701-H703 PolarHBondContact O-N 2.8Å; Y701-H703 VanDerWaalsContact O-N 3.12Å; Y701-T704 WeakPolarHBondContact CA-OG1 3.33Å; Y701-T704 PolarHBondContact O-N 2.72Å; Y701-L712 HydrophobicContact CD1-CD1 4.45Å; Y701-L712 HydrophobicContact CE1-CD1 4.08Å; Y701-K723 VanDerWaalsContact OH-CE 3.31Å; Y701-K723 WeakPolarHBondContact OH-CE 3.31Å; Y701-K723 PolarHBondContact OH-NZ 2.65Å; Y701-K726 HydrophobicContact CD2-CB 4.27Å; Y701-K726 HydrophobicContact CE2-CB 4.33Å; Y701-L727 HydrophobicContact CD1-CD2 4.1Å; Y701-L727 HydrophobicContact CD2-CD2 3.91Å; Y701-L727 HydrophobicContact CE1-CD2 4.15Å; Y701-L727 HydrophobicContact CE2-CD2 3.93Å; Y701-L727 HydrophobicContact CE2-CG 4.36Å; Y701-L727 HydrophobicContact CG-CD2 4Å; Y701-R734 PolarHBondContact O-NH2 3.39Å
702	E	75.1	Confident	69.4	Low	113 Å²	113	93.8 Å²	93.8	53%	0.528	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.7	178	-77.8	179.2	145.3	0	0	113.8	N700 R734	N700-E702 PolarHBondContact ND2-OE2 3.29Å; N700-E702 PolarHBondContact O-N 3.08Å; N700-E702 WeakPolarHBondContact OD1-CB 3.36Å; N700-E702 VanDerWaalsContact OD1-CG 3.22Å; N700-E702 WeakPolarHBondContact OD1-CG 3.48Å; N700-E702 PolarHBondContact OD1-N 3.35Å; N700-E702 PolarHBondContact OD1-OE2 3.42Å; E702-R734 VanDerWaalsContact C-NH2 3.33Å; E702-R734 PolarHBondContact O-NH2 3.47Å
703	H	80.7	Confident	71.6	Confident	172 Å²	172	91.5 Å²	91.5	80%	0.796	45%	0.451	S	S	*	.	S	Bend	trans	-105.5	-14.2	179.9	-58.4	-32	0	0	0	114.9	Y701	Y701-H703 PolarHBondContact O-N 2.8Å; Y701-H703 VanDerWaalsContact O-N 3.12Å
704	T	86.2	Confident	73.6	Confident	32 Å²	32	93 Å²	93	20%	0.196	46%	0.458	C	S	.	.	S	Bend	trans	-62.2	145.3	177.2	-49.6	0	0	0	0	111	Y701 E708 I709 L712 R734	Y701-T704 WeakPolarHBondContact CA-OG1 3.33Å; Y701-T704 PolarHBondContact O-N 2.72Å; T704-E708 HydrophobicContact CG2-CB 4.06Å; T704-E708 HydrophobicContact CG2-CG 3.59Å; T704-E708 VanDerWaalsContact CG2-OE2 3.31Å; T704-E708 WeakPolarHBondContact CG2-OE2 3.24Å; T704-I709 HydrophobicContact CG2-CG1 3.83Å; T704-L712 HydrophobicContact CG2-CD1 4.45Å; T704-R734 VanDerWaalsContact O-CZ 3.24Å; T704-R734 PolarHBondContact O-NH1 3.49Å; T704-R734 PolarHBondContact O-NH2 2.92Å
705	S	88.6	Confident	75.6	Confident	58 Å²	58	88.4 Å²	88.4	41%	0.406	45%	0.449	S	S	.	.			trans	-70.6	154.9	-177.1	70	0	0	0	0	112.2	E707 E708 I709	S705-E707 PolarHBondContact O-N 3.32Å; S705-E708 WeakPolarHBondContact CB-OE2 3.46Å; S705-E708 PolarHBondContact N-OE2 3.09Å; S705-E708 WeakPolarHBondContact O-CB 3.46Å; S705-E708 PolarHBondContact O-N 3.18Å; S705-E708 WeakPolarHBondContact OG-CB 3.15Å; S705-E708 PolarHBondContact OG-OE2 2.73Å; S705-I709 WeakPolarHBondContact O-CG1 3.3Å; S705-I709 PolarHBondContact O-N 2.69Å
706	S	86.8	Confident	77.4	Confident	32 Å²	32	82.8 Å²	82.8	22%	0.224	42%	0.421	C	S	.	.	H	α-helix	trans	-72.6	-27.5	-174.7	-89.8	0	0	0	0	114.5	L710 R734 H735	S706-L710 WeakPolarHBondContact O-CB 3.08Å; S706-L710 PolarHBondContact O-N 2.79Å; S706-L710 VanDerWaalsContact O-N 3.11Å; S706-R734 WeakPolarHBondContact OG-CD 3.2Å; S706-R734 PolarHBondContact OG-NH1 2.97Å; S706-R734 VanDerWaalsContact OG-NH1 3.1Å; S706-H735 WeakPolarHBondContact CB-NE2 3.5Å; S706-H735 PolarHBondContact OG-NE2 2.72Å
707	E	85.8	Confident	78.7	Confident	159 Å²	159	84.3 Å²	84.3	74%	0.743	43%	0.429	S	S	*	.	H	α-helix	trans	-69.1	-39.2	171.5	-63.8	-175	138	0	0	111.2	S705 L710 N711	S705-E707 PolarHBondContact O-N 3.32Å; E707-L710 WeakPolarHBondContact O-CB 3.4Å; E707-L710 PolarHBondContact O-N 3.14Å; E707-N711 WeakPolarHBondContact O-CB 3.48Å; E707-N711 VanDerWaalsContact O-CG 3.26Å; E707-N711 PolarHBondContact O-N 2.89Å; E707-N711 PolarHBondContact O-ND2 2.71Å
708	E	87.7	Confident	79.9	Confident	97 Å²	97	80.7 Å²	80.7	45%	0.453	42%	0.42	S	S	.	.	H	α-helix	trans	-67.7	-41.6	177.9	-175.6	174.9	-143.9	0	0	112	T704 S705 L710 N711 L712	T704-E708 HydrophobicContact CG2-CB 4.06Å; T704-E708 HydrophobicContact CG2-CG 3.59Å; T704-E708 VanDerWaalsContact CG2-OE2 3.31Å; T704-E708 WeakPolarHBondContact CG2-OE2 3.24Å; S705-E708 WeakPolarHBondContact CB-OE2 3.46Å; S705-E708 PolarHBondContact N-OE2 3.09Å; S705-E708 WeakPolarHBondContact O-CB 3.46Å; S705-E708 PolarHBondContact O-N 3.18Å; S705-E708 WeakPolarHBondContact OG-CB 3.15Å; S705-E708 PolarHBondContact OG-OE2 2.73Å; E708-L710 VanDerWaalsContact C-N 3.31Å; E708-L710 PolarHBondContact O-N 2.72Å; E708-N711 PolarHBondContact O-N 3.25Å; E708-L712 WeakPolarHBondContact O-CB 3.44Å; E708-L712 VanDerWaalsContact O-CG 3.28Å; E708-L712 WeakPolarHBondContact O-CG 3.43Å; E708-L712 PolarHBondContact O-N 3.36Å
709	I	87.5	Confident	80.8	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-61.1	-39	169.3	-68.9	174.1	0	0	0	111.4	T704 S705 F713 L727 V730 L731	T704-I709 HydrophobicContact CG2-CG1 3.83Å; S705-I709 WeakPolarHBondContact O-CG1 3.3Å; S705-I709 PolarHBondContact O-N 2.69Å; I709-F713 WeakPolarHBondContact O-CB 3.28Å; I709-F713 PolarHBondContact O-N 3.46Å; I709-L727 HydrophobicContact CB-CD2 4.37Å; I709-L727 HydrophobicContact CG1-CD2 4.38Å; I709-L727 HydrophobicContact CG2-CB 4.07Å; I709-L727 HydrophobicContact CG2-CD2 3.82Å; I709-V730 HydrophobicContact CD1-CB 4.24Å; I709-V730 HydrophobicContact CD1-CG1 3.58Å; I709-L731 HydrophobicContact CB-CD2 4.48Å; I709-L731 HydrophobicContact CG2-CD1 4.02Å; I709-L731 HydrophobicContact CG2-CD2 3.89Å; I709-L731 HydrophobicContact CG2-CG 3.67Å
710	L	86	Confident	81.7	Confident	46 Å²	46	71.1 Å²	71.1	24%	0.241	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-44	176.5	-156.8	92.7	0	0	0	111.3	S706 E707 E708 F713 L714 L731 I741	S706-L710 WeakPolarHBondContact O-CB 3.08Å; S706-L710 PolarHBondContact O-N 2.79Å; S706-L710 VanDerWaalsContact O-N 3.11Å; E707-L710 WeakPolarHBondContact O-CB 3.4Å; E707-L710 PolarHBondContact O-N 3.14Å; E708-L710 VanDerWaalsContact C-N 3.31Å; E708-L710 PolarHBondContact O-N 2.72Å; L710-F713 PolarHBondContact O-N 3.27Å; L710-L714 HydrophobicContact CD2-CD1 4.25Å; L710-L714 HydrophobicContact CG-CD1 4.36Å; L710-L714 WeakPolarHBondContact O-CB 3.33Å; L710-L714 VanDerWaalsContact O-CG 3.29Å; L710-L714 WeakPolarHBondContact O-CG 3.43Å; L710-L714 PolarHBondContact O-N 3.4Å; L710-L731 HydrophobicContact CD1-CD1 4.16Å; L710-I741 HydrophobicContact CD1-CB 4.39Å; L710-I741 HydrophobicContact CD1-CD1 4.32Å; L710-I741 HydrophobicContact CD1-CG1 3.92Å; L710-I741 HydrophobicContact CD1-CG2 3.97Å; L710-I741 HydrophobicContact CG-CG2 4.45Å
711	N	85.4	Confident	82.3	Confident	102 Å²	102	67.3 Å²	67.3	55%	0.545	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-44.8	176.4	-71.7	-30.8	0	0	0	111.4	E707 E708 F713 L714 S715	E707-N711 WeakPolarHBondContact O-CB 3.48Å; E707-N711 VanDerWaalsContact O-CG 3.26Å; E707-N711 PolarHBondContact O-N 2.89Å; E707-N711 PolarHBondContact O-ND2 2.71Å; E708-N711 PolarHBondContact O-N 3.25Å; N711-F713 VanDerWaalsContact C-N 3.32Å; N711-F713 PolarHBondContact O-N 2.93Å; N711-L714 PolarHBondContact O-N 3.09Å; N711-S715 VanDerWaalsContact O-CB 3.32Å; N711-S715 WeakPolarHBondContact O-CB 3.19Å; N711-S715 PolarHBondContact O-N 2.81Å; N711-S715 PolarHBondContact O-OG 2.69Å
712	L	87.8	Confident	82.2	Confident	45 Å²	45	68.9 Å²	68.9	24%	0.236	37%	0.373	C	S	.	.	H	α-helix	trans	-56.4	-46.6	173.3	-75.8	168.2	0	0	0	110.9	Y701 T704 E708 S715 S716 L727	Y701-L712 HydrophobicContact CD1-CD1 4.45Å; Y701-L712 HydrophobicContact CE1-CD1 4.08Å; T704-L712 HydrophobicContact CG2-CD1 4.45Å; E708-L712 WeakPolarHBondContact O-CB 3.44Å; E708-L712 VanDerWaalsContact O-CG 3.28Å; E708-L712 WeakPolarHBondContact O-CG 3.43Å; E708-L712 PolarHBondContact O-N 3.36Å; L712-S715 WeakPolarHBondContact CA-OG 3.38Å; L712-S715 PolarHBondContact O-N 3.3Å; L712-S715 PolarHBondContact O-OG 2.94Å; L712-S716 WeakPolarHBondContact O-CB 3.28Å; L712-S716 PolarHBondContact O-N 3.09Å; L712-L727 HydrophobicContact CB-CD1 3.87Å; L712-L727 HydrophobicContact CB-CD2 4.05Å; L712-L727 HydrophobicContact CD1-CD2 4.22Å
713	F	86.2	Confident	82.4	Confident	19 Å²	19	65.1 Å²	65.1	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-47.3	178.2	177.7	-101.9	0	0	0	112	I709 L710 N711 S715 S716 Q724 L727 L728 I741 K749	I709-F713 WeakPolarHBondContact O-CB 3.28Å; I709-F713 PolarHBondContact O-N 3.46Å; L710-F713 PolarHBondContact O-N 3.27Å; N711-F713 VanDerWaalsContact C-N 3.32Å; N711-F713 PolarHBondContact O-N 2.93Å; F713-S715 VanDerWaalsContact C-N 3.25Å; F713-S715 PolarHBondContact O-N 3.4Å; F713-S716 PolarHBondContact O-N 2.93Å; F713-S716 PolarHBondContact O-OG 3.43Å; F713-Q724 HydrophobicContact CD2-CB 4.36Å; F713-Q724 HydrophobicContact CD2-CG 4.24Å; F713-Q724 HydrophobicContact CE2-CB 4.02Å; F713-Q724 HydrophobicContact CE2-CG 3.98Å; F713-L727 HydrophobicContact CB-CB 4.3Å; F713-L727 HydrophobicContact CB-CD1 4.13Å; F713-L727 HydrophobicContact CD2-CB 4.47Å; F713-L728 HydrophobicContact CD2-CD2 4.25Å; F713-L728 HydrophobicContact CD2-CG 4.04Å; F713-L728 HydrophobicContact CE1-CD2 4.4Å; F713-L728 HydrophobicContact CE2-CD1 3.72Å; F713-L728 HydrophobicContact CE2-CD2 3.86Å; F713-L728 HydrophobicContact CE2-CG 3.62Å; F713-L728 HydrophobicContact CZ-CD1 4.09Å; F713-L728 HydrophobicContact CZ-CD2 3.95Å; F713-L728 HydrophobicContact CZ-CG 4.16Å; F713-I741 HydrophobicContact CD1-CD1 4.4Å; F713-I741 HydrophobicContact CD1-CG2 4.04Å; F713-I741 HydrophobicContact CE1-CD1 4.38Å; F713-I741 HydrophobicContact CE1-CG2 4.07Å; F713-K749 HydrophobicContact CE1-CD 4.49Å; F713-K749 HydrophobicContact CE1-CG 4.29Å; F713-K749 HydrophobicContact CZ-CB 4.23Å; F713-K749 HydrophobicContact CZ-CD 4.43Å; F713-K749 HydrophobicContact CZ-CG 4.21Å
714	L	83.9	Confident	82.7	Confident	115 Å²	115	57.9 Å²	57.9	60%	0.602	32%	0.321	S	S	*	.	H	α-helix	trans	-67	-24.1	178.2	-68.4	171.1	0	0	0	113.4	L710 N711 I741	L710-L714 HydrophobicContact CD2-CD1 4.25Å; L710-L714 HydrophobicContact CG-CD1 4.36Å; L710-L714 WeakPolarHBondContact O-CB 3.33Å; L710-L714 VanDerWaalsContact O-CG 3.29Å; L710-L714 WeakPolarHBondContact O-CG 3.43Å; L710-L714 PolarHBondContact O-N 3.4Å; N711-L714 PolarHBondContact O-N 3.09Å; L714-I741 HydrophobicContact CD2-CG2 4.34Å
715	S	83.6	Confident	82.7	Confident	89 Å²	89	56.6 Å²	56.6	62%	0.622	31%	0.313	S	S	*	.	H	α-helix	trans	-87.3	-16.1	174.6	73.4	0	0	0	0	114.4	N711 L712 F713	N711-S715 VanDerWaalsContact O-CB 3.32Å; N711-S715 WeakPolarHBondContact O-CB 3.19Å; N711-S715 PolarHBondContact O-N 2.81Å; N711-S715 PolarHBondContact O-OG 2.69Å; L712-S715 WeakPolarHBondContact CA-OG 3.38Å; L712-S715 PolarHBondContact O-N 3.3Å; L712-S715 PolarHBondContact O-OG 2.94Å; F713-S715 VanDerWaalsContact C-N 3.25Å; F713-S715 PolarHBondContact O-N 3.4Å
716	S	81.2	Confident	82.5	Confident	24 Å²	24	57.1 Å²	57.1	17%	0.168	31%	0.308	C	S	.	.	S	Bend	trans	-70.2	142.2	-172.6	68.5	0	0	0	0	112.4	L712 F713 Q724	L712-S716 WeakPolarHBondContact O-CB 3.28Å; L712-S716 PolarHBondContact O-N 3.09Å; F713-S716 PolarHBondContact O-N 2.93Å; F713-S716 PolarHBondContact O-OG 3.43Å; S716-Q724 VanDerWaalsContact OG-CG 3.29Å; S716-Q724 WeakPolarHBondContact OG-CG 3.39Å
717	L	76.3	Confident	82.6	Confident	92 Å²	92	55.6 Å²	55.6	48%	0.482	30%	0.298	S	S	.	.			trans	-62.3	142.6	176.8	-73.7	175.7	0	0	0	110.6	T719 A720 Q724	L717-T719 PolarHBondContact O-N 2.92Å; L717-A720 HydrophobicContact CB-CB 4.24Å; L717-A720 WeakPolarHBondContact O-CB 3.43Å; L717-A720 PolarHBondContact O-N 2.81Å; L717-Q724 PolarHBondContact O-NE2 2.98Å
718	P	72.3	Confident	82.8	Confident	94 Å²	94	48.1 Å²	48.1	61%	0.61	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.8	175.9	-27.9	35.9	0	0	0	114.1	Q724	P718-Q724 PolarHBondContact O-NE2 2.89Å; P718-Q724 VanDerWaalsContact O-NE2 3.14Å
719	T	70.6	Confident	82.8	Confident	77 Å²	77	44.4 Å²	44.4	47%	0.472	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.5	176.2	46.5	0	0	0	0	114.5	L717 L721	L717-T719 PolarHBondContact O-N 2.92Å; T719-L721 PolarHBondContact O-N 3.03Å
720	A	77.4	Confident	82.8	Confident	15 Å²	15	45.1 Å²	45.1	12%	0.124	25%	0.25	C	C	.	.			trans	-79.1	56.4	-179.5	0	0	0	0	0	111.9	L717 F722 K723 Q724	L717-A720 HydrophobicContact CB-CB 4.24Å; L717-A720 WeakPolarHBondContact O-CB 3.43Å; L717-A720 PolarHBondContact O-N 2.81Å; A720-F722 VanDerWaalsContact C-N 3.27Å; A720-F722 PolarHBondContact O-N 2.86Å; A720-K723 HydrophobicContact CB-CB 4.32Å; A720-K723 PolarHBondContact O-N 3.34Å; A720-Q724 PolarHBondContact O-N 2.74Å
721	L	79.1	Confident	83	Confident	15 Å²	15	43 Å²	43	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-34.8	-170	-61.2	172.6	0	0	0	113.1	T719 M725 L753 Q756 A757 A760 I775	T719-L721 PolarHBondContact O-N 3.03Å; L721-M725 VanDerWaalsContact O-CB 3.29Å; L721-M725 WeakPolarHBondContact O-CB 3.22Å; L721-M725 PolarHBondContact O-N 3.41Å; L721-L753 HydrophobicContact CB-CD1 4.17Å; L721-L753 HydrophobicContact CD2-CD1 3.52Å; L721-L753 HydrophobicContact CG-CD1 4.46Å; L721-Q756 HydrophobicContact CD2-CB 4.02Å; L721-A757 HydrophobicContact CD1-CB 4.28Å; L721-A760 HydrophobicContact CD1-CB 4.18Å; L721-I775 HydrophobicContact CB-CD1 3.94Å
722	F	77.2	Confident	83.2	Confident	50 Å²	50	38.9 Å²	38.9	22%	0.219	22%	0.218	C	C	.	.	H	α-helix	trans	-70.6	-47.7	178.1	179.6	-100.4	0	0	0	112.3	A720 Q724 M725 K726 E773 I775	A720-F722 VanDerWaalsContact C-N 3.27Å; A720-F722 PolarHBondContact O-N 2.86Å; F722-Q724 VanDerWaalsContact C-N 3.35Å; F722-Q724 PolarHBondContact O-N 2.85Å; F722-M725 HydrophobicContact CD2-CE 3.32Å; F722-M725 HydrophobicContact CE2-CE 3.33Å; F722-M725 HydrophobicContact CG-CE 4.29Å; F722-M725 HydrophobicContact CZ-CE 4.31Å; F722-M725 WeakPolarHBondContact O-CB 3.37Å; F722-M725 PolarHBondContact O-N 2.6Å; F722-M725 VanDerWaalsContact O-N 3.09Å; F722-K726 HydrophobicContact CE1-CG 3.94Å; F722-K726 HydrophobicContact CE2-CG 4.16Å; F722-K726 HydrophobicContact CZ-CD 4.41Å; F722-K726 HydrophobicContact CZ-CG 3.74Å; F722-K726 PolarHBondContact O-N 3.25Å; F722-E773 HydrophobicContact CD2-CB 3.76Å; F722-E773 HydrophobicContact CD2-CG 3.88Å; F722-E773 WeakPolarHBondContact CD2-OE2 3.34Å; F722-E773 WeakPolarHBondContact CE1-OE1 3.46Å; F722-E773 HydrophobicContact CE2-CB 3.74Å; F722-E773 HydrophobicContact CE2-CG 3.47Å; F722-E773 VanDerWaalsContact CE2-CG 3.47Å; F722-E773 WeakPolarHBondContact CG-OE2 3.37Å; F722-E773 VanDerWaalsContact CZ-CD 3.46Å; F722-E773 HydrophobicContact CZ-CG 3.93Å; F722-E773 VanDerWaalsContact CZ-OE1 3.26Å; F722-E773 WeakPolarHBondContact CZ-OE1 3.27Å; F722-I775 HydrophobicContact CB-CD1 4.06Å; F722-I775 HydrophobicContact CD2-CG1 4.4Å
723	K	80.8	Confident	83.1	Confident	35 Å²	35	42.9 Å²	42.9	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-46.5	176.7	-158.6	177.7	-170.1	116.5	0	110.9	D696 E699 Y701 A720 M725 K726 L727	D696-K723 WeakPolarHBondContact OD1-CD 3.37Å; D696-K723 IonicContact OD1-NZ 3.55Å; D696-K723 PolarHBondContact OD1-NZ 3.02Å; E699-K723 IonicContact OE2-NZ 2.68Å; E699-K723 PolarHBondContact OE2-NZ 2.6Å; Y701-K723 VanDerWaalsContact OH-CE 3.31Å; Y701-K723 WeakPolarHBondContact OH-CE 3.31Å; Y701-K723 PolarHBondContact OH-NZ 2.65Å; A720-K723 HydrophobicContact CB-CB 4.32Å; A720-K723 PolarHBondContact O-N 3.34Å; K723-M725 VanDerWaalsContact C-N 3.33Å; K723-M725 PolarHBondContact O-N 2.84Å; K723-K726 PolarHBondContact O-N 3.28Å; K723-L727 HydrophobicContact CG-CD1 4.03Å; K723-L727 WeakPolarHBondContact O-CB 3.46Å; K723-L727 VanDerWaalsContact O-CG 3.23Å; K723-L727 WeakPolarHBondContact O-CG 3.49Å; K723-L727 PolarHBondContact O-N 2.82Å
724	Q	86.6	Confident	83.3	Confident	20 Å²	20	46.3 Å²	46.3	9%	0.093	25%	0.246	C	C	.	.	H	α-helix	trans	-56.4	-44.4	172.6	-73.3	-179.6	50.5	0	0	112.3	F713 S716 L717 P718 A720 F722 L728 L753	F713-Q724 HydrophobicContact CD2-CB 4.36Å; F713-Q724 HydrophobicContact CD2-CG 4.24Å; F713-Q724 HydrophobicContact CE2-CB 4.02Å; F713-Q724 HydrophobicContact CE2-CG 3.98Å; S716-Q724 VanDerWaalsContact OG-CG 3.29Å; S716-Q724 WeakPolarHBondContact OG-CG 3.39Å; L717-Q724 PolarHBondContact O-NE2 2.98Å; P718-Q724 PolarHBondContact O-NE2 2.89Å; P718-Q724 VanDerWaalsContact O-NE2 3.14Å; A720-Q724 PolarHBondContact O-N 2.74Å; F722-Q724 VanDerWaalsContact C-N 3.35Å; F722-Q724 PolarHBondContact O-N 2.85Å; Q724-L728 WeakPolarHBondContact O-CB 3.32Å; Q724-L728 VanDerWaalsContact O-CG 3.29Å; Q724-L728 WeakPolarHBondContact O-CG 3.43Å; Q724-L728 PolarHBondContact O-N 2.94Å; Q724-L753 HydrophobicContact CB-CD1 4Å; Q724-L753 HydrophobicContact CB-CD2 3.96Å
725	M	86.7	Confident	83.6	Confident	5 Å²	5	45 Å²	45	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-45.9	178.4	177.6	-83.3	-61.8	0	0	111.7	L721 F722 K723 L728 E729 L753 I775 V778	L721-M725 VanDerWaalsContact O-CB 3.29Å; L721-M725 WeakPolarHBondContact O-CB 3.22Å; L721-M725 PolarHBondContact O-N 3.41Å; F722-M725 HydrophobicContact CD2-CE 3.32Å; F722-M725 HydrophobicContact CE2-CE 3.33Å; F722-M725 HydrophobicContact CG-CE 4.29Å; F722-M725 HydrophobicContact CZ-CE 4.31Å; F722-M725 WeakPolarHBondContact O-CB 3.37Å; F722-M725 PolarHBondContact O-N 2.6Å; F722-M725 VanDerWaalsContact O-N 3.09Å; K723-M725 VanDerWaalsContact C-N 3.33Å; K723-M725 PolarHBondContact O-N 2.84Å; M725-L728 PolarHBondContact O-N 3.03Å; M725-E729 WeakPolarHBondContact O-CB 3.35Å; M725-E729 PolarHBondContact O-N 3.27Å; M725-L753 HydrophobicContact CB-CD2 3.81Å; M725-I775 HydrophobicContact CB-CG2 4.26Å; M725-I775 HydrophobicContact CG-CG2 4.34Å; M725-V778 HydrophobicContact CG-CG1 4.27Å; M725-V778 HydrophobicContact SD-CB 4.31Å; M725-V778 HydrophobicContact SD-CG1 3.58Å; M725-V778 VanDerWaalsContact SD-CG1 3.58Å
726	K	84.5	Confident	83.9	Confident	69 Å²	69	42.2 Å²	42.2	30%	0.3	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-41.8	179.7	-81.2	-72.9	161.5	-160.9	0	113.3	Y701 F722 K723 E729 V730	Y701-K726 HydrophobicContact CD2-CB 4.27Å; Y701-K726 HydrophobicContact CE2-CB 4.33Å; F722-K726 HydrophobicContact CE1-CG 3.94Å; F722-K726 HydrophobicContact CE2-CG 4.16Å; F722-K726 HydrophobicContact CZ-CD 4.41Å; F722-K726 HydrophobicContact CZ-CG 3.74Å; F722-K726 PolarHBondContact O-N 3.25Å; K723-K726 PolarHBondContact O-N 3.28Å; K726-E729 IonicContact NZ-OE1 3.95Å; K726-E729 IonicContact NZ-OE2 3.56Å; K726-E729 PolarHBondContact NZ-OE2 3.02Å; K726-E729 PolarHBondContact O-N 2.81Å; K726-V730 PolarHBondContact O-N 3.45Å; K726-V730 VanDerWaalsContact O-N 3.15Å
727	L	88.5	Confident	84.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-42.1	177	-63.8	167.2	0	0	0	111	Y701 I709 L712 F713 K723 V730 L731	Y701-L727 HydrophobicContact CD1-CD2 4.1Å; Y701-L727 HydrophobicContact CD2-CD2 3.91Å; Y701-L727 HydrophobicContact CE1-CD2 4.15Å; Y701-L727 HydrophobicContact CE2-CD2 3.93Å; Y701-L727 HydrophobicContact CE2-CG 4.36Å; Y701-L727 HydrophobicContact CG-CD2 4Å; I709-L727 HydrophobicContact CB-CD2 4.37Å; I709-L727 HydrophobicContact CG1-CD2 4.38Å; I709-L727 HydrophobicContact CG2-CB 4.07Å; I709-L727 HydrophobicContact CG2-CD2 3.82Å; L712-L727 HydrophobicContact CB-CD1 3.87Å; L712-L727 HydrophobicContact CB-CD2 4.05Å; L712-L727 HydrophobicContact CD1-CD2 4.22Å; F713-L727 HydrophobicContact CB-CB 4.3Å; F713-L727 HydrophobicContact CB-CD1 4.13Å; F713-L727 HydrophobicContact CD2-CB 4.47Å; K723-L727 HydrophobicContact CG-CD1 4.03Å; K723-L727 WeakPolarHBondContact O-CB 3.46Å; K723-L727 VanDerWaalsContact O-CG 3.23Å; K723-L727 WeakPolarHBondContact O-CG 3.49Å; K723-L727 PolarHBondContact O-N 2.82Å; L727-V730 PolarHBondContact O-N 3.24Å; L727-L731 WeakPolarHBondContact O-CG 3.44Å; L727-L731 PolarHBondContact O-N 3.16Å
728	L	89.5	Confident	85.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-34.3	174.5	-71.2	175.6	0	0	0	113.2	F713 Q724 M725 L731 A732 I741 V746 K749 L750 L753	F713-L728 HydrophobicContact CD2-CD2 4.25Å; F713-L728 HydrophobicContact CD2-CG 4.04Å; F713-L728 HydrophobicContact CE1-CD2 4.4Å; F713-L728 HydrophobicContact CE2-CD1 3.72Å; F713-L728 HydrophobicContact CE2-CD2 3.86Å; F713-L728 HydrophobicContact CE2-CG 3.62Å; F713-L728 HydrophobicContact CZ-CD1 4.09Å; F713-L728 HydrophobicContact CZ-CD2 3.95Å; F713-L728 HydrophobicContact CZ-CG 4.16Å; Q724-L728 WeakPolarHBondContact O-CB 3.32Å; Q724-L728 VanDerWaalsContact O-CG 3.29Å; Q724-L728 WeakPolarHBondContact O-CG 3.43Å; Q724-L728 PolarHBondContact O-N 2.94Å; M725-L728 PolarHBondContact O-N 3.03Å; L728-L731 PolarHBondContact O-N 3.43Å; L728-A732 VanDerWaalsContact O-CB 3.25Å; L728-A732 WeakPolarHBondContact O-CB 3.43Å; L728-A732 PolarHBondContact O-N 3.34Å; L728-I741 HydrophobicContact CD2-CD1 3.65Å; L728-V746 HydrophobicContact CD2-CG1 4.48Å; L728-K749 HydrophobicContact CD1-CB 3.89Å; L728-K749 HydrophobicContact CD2-CB 3.95Å; L728-L750 HydrophobicContact CB-CD1 4.06Å; L728-L750 HydrophobicContact CB-CG 4.26Å; L728-L750 HydrophobicContact CD1-CG 4.25Å; L728-L753 HydrophobicContact CD1-CD2 3.94Å
729	E	87.2	Confident	85.9	Confident	19 Å²	19	42.5 Å²	42.5	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-47	173.5	-177.4	-171.9	163.5	0	0	111	M725 K726 A732 K733 H782	M725-E729 WeakPolarHBondContact O-CB 3.35Å; M725-E729 PolarHBondContact O-N 3.27Å; K726-E729 IonicContact NZ-OE1 3.95Å; K726-E729 IonicContact NZ-OE2 3.56Å; K726-E729 PolarHBondContact NZ-OE2 3.02Å; K726-E729 PolarHBondContact O-N 2.81Å; E729-A732 PolarHBondContact O-N 3.29Å; E729-K733 HydrophobicContact CG-CD 4.19Å; E729-K733 WeakPolarHBondContact O-CB 3.14Å; E729-K733 WeakPolarHBondContact O-CG 3.32Å; E729-K733 PolarHBondContact O-N 2.88Å; E729-K733 WeakPolarHBondContact OE1-CE 3Å; E729-K733 IonicContact OE1-NZ 3.25Å; E729-K733 PolarHBondContact OE1-NZ 3.28Å; E729-H782 IonicContact OE1-NE2 3.83Å
730	V	88.2	Confident	86.8	Confident	16 Å²	16	45 Å²	45	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-70.1	-37.4	179.7	179.2	0	0	0	0	111.6	I709 K726 L727 K733 R734	I709-V730 HydrophobicContact CD1-CB 4.24Å; I709-V730 HydrophobicContact CD1-CG1 3.58Å; K726-V730 PolarHBondContact O-N 3.45Å; K726-V730 VanDerWaalsContact O-N 3.15Å; L727-V730 PolarHBondContact O-N 3.24Å; V730-K733 PolarHBondContact O-N 2.93Å; V730-R734 HydrophobicContact CG1-CG 4.39Å; V730-R734 WeakPolarHBondContact O-CB 3Å; V730-R734 WeakPolarHBondContact O-CG 2.93Å; V730-R734 PolarHBondContact O-N 3.39Å
731	L	89.9	Confident	87.2	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-43.2	172.8	-70.2	173.7	0	0	0	112	I709 L710 L727 L728 R734 H735 I741 V746	I709-L731 HydrophobicContact CB-CD2 4.48Å; I709-L731 HydrophobicContact CG2-CD1 4.02Å; I709-L731 HydrophobicContact CG2-CD2 3.89Å; I709-L731 HydrophobicContact CG2-CG 3.67Å; L710-L731 HydrophobicContact CD1-CD1 4.16Å; L727-L731 WeakPolarHBondContact O-CG 3.44Å; L727-L731 PolarHBondContact O-N 3.16Å; L728-L731 PolarHBondContact O-N 3.43Å; L731-R734 PolarHBondContact O-N 3.06Å; L731-H735 PolarHBondContact O-N 3.26Å; L731-I741 HydrophobicContact CD1-CD1 3.68Å; L731-V746 HydrophobicContact CB-CG2 4.35Å
732	A	89.2	Confident	87.4	Confident	15 Å²	15	46.9 Å²	46.9	12%	0.124	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-43.4	175.7	0	0	0	0	0	112	L728 E729 R734 G736 L737 V746	L728-A732 VanDerWaalsContact O-CB 3.25Å; L728-A732 WeakPolarHBondContact O-CB 3.43Å; L728-A732 PolarHBondContact O-N 3.34Å; E729-A732 PolarHBondContact O-N 3.29Å; A732-R734 VanDerWaalsContact C-N 3.34Å; A732-R734 PolarHBondContact O-N 2.92Å; A732-G736 VanDerWaalsContact O-CA 3.26Å; A732-G736 WeakPolarHBondContact O-CA 3.46Å; A732-G736 PolarHBondContact O-N 2.8Å; A732-L737 HydrophobicContact CB-CD2 3.94Å; A732-V746 HydrophobicContact CB-CG1 3.92Å
733	K	86.9	Confident	87.7	Confident	129 Å²	129	51.5 Å²	51.5	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-64.4	-32.7	176.5	-79.4	173.6	169	173.6	0	113.5	E729 V730	E729-K733 HydrophobicContact CG-CD 4.19Å; E729-K733 WeakPolarHBondContact O-CB 3.14Å; E729-K733 WeakPolarHBondContact O-CG 3.32Å; E729-K733 PolarHBondContact O-N 2.88Å; E729-K733 WeakPolarHBondContact OE1-CE 3Å; E729-K733 IonicContact OE1-NZ 3.25Å; E729-K733 PolarHBondContact OE1-NZ 3.28Å; V730-K733 PolarHBondContact O-N 2.93Å
734	R	90	Very high	87.9	Confident	91 Å²	91	52.5 Å²	52.5	34%	0.343	27%	0.273	S	S	.	.	H	α-helix	trans	-90.4	-39.5	-177	-71.3	178.6	-179.3	178.3	5.3	114.6	Y701 E702 T704 S706 V730 L731 A732	Y701-R734 PolarHBondContact O-NH2 3.39Å; E702-R734 VanDerWaalsContact C-NH2 3.33Å; E702-R734 PolarHBondContact O-NH2 3.47Å; T704-R734 VanDerWaalsContact O-CZ 3.24Å; T704-R734 PolarHBondContact O-NH1 3.49Å; T704-R734 PolarHBondContact O-NH2 2.92Å; S706-R734 WeakPolarHBondContact OG-CD 3.2Å; S706-R734 PolarHBondContact OG-NH1 2.97Å; S706-R734 VanDerWaalsContact OG-NH1 3.1Å; V730-R734 HydrophobicContact CG1-CG 4.39Å; V730-R734 WeakPolarHBondContact O-CB 3Å; V730-R734 WeakPolarHBondContact O-CG 2.93Å; V730-R734 PolarHBondContact O-N 3.39Å; L731-R734 PolarHBondContact O-N 3.06Å; A732-R734 VanDerWaalsContact C-N 3.34Å; A732-R734 PolarHBondContact O-N 2.92Å
735	H	90.6	Very high	88.1	Confident	88 Å²	88	52.3 Å²	52.3	41%	0.407	27%	0.273	S	S	.	.	H	α-helix	trans	-121.4	-5.8	-169.9	-59.6	-75.6	0	0	0	114.3	S706 L731 H739	S706-H735 WeakPolarHBondContact CB-NE2 3.5Å; S706-H735 PolarHBondContact OG-NE2 2.72Å; L731-H735 PolarHBondContact O-N 3.26Å; H735-H739 HydrophobicContact CB-CB 3.67Å; H735-H739 AromaticContact CG-CE1 4Å; H735-H739 AromaticContact CG-ND1 3.88Å
736	G	89.8	Confident	88.3	Confident	31 Å²	31	52 Å²	52	32%	0.32	27%	0.272	S	S	.	.			trans	81.2	164.5	-176	0	0	0	0	0	113.9	A732 E738 H739	A732-G736 VanDerWaalsContact O-CA 3.26Å; A732-G736 WeakPolarHBondContact O-CA 3.46Å; A732-G736 PolarHBondContact O-N 2.8Å; G736-E738 VanDerWaalsContact C-N 3.28Å; G736-E738 PolarHBondContact O-N 3.37Å; G736-H739 WeakPolarHBondContact O-CB 3.23Å; G736-H739 PolarHBondContact O-N 2.89Å
737	L	89.1	Confident	88.6	Confident	36 Å²	36	53 Å²	53	19%	0.188	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.3	-175.2	-68.5	174.2	0	0	0	114.1	A732 V746 R747 L750	A732-L737 HydrophobicContact CB-CD2 3.94Å; L737-V746 HydrophobicContact CD2-CG1 4.24Å; L737-V746 WeakPolarHBondContact O-CB 3.49Å; L737-V746 PolarHBondContact O-N 3.04Å; L737-R747 HydrophobicContact CB-CB 4.23Å; L737-R747 WeakPolarHBondContact O-CB 3.19Å; L737-R747 PolarHBondContact O-N 2.58Å; L737-L750 HydrophobicContact CD2-CD1 4.33Å
738	E	92.5	Very high	88.5	Confident	112 Å²	112	57 Å²	57	52%	0.523	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	1.4	-178.1	-45.9	-46.7	133.4	0	0	113.3	G736 R747	G736-E738 VanDerWaalsContact C-N 3.28Å; G736-E738 PolarHBondContact O-N 3.37Å; E738-R747 IonicContact OE1-CZ 3.71Å; E738-R747 IonicContact OE1-NE 2.68Å; E738-R747 PolarHBondContact OE1-NE 3.27Å; E738-R747 IonicContact OE1-NH2 3.73Å; E738-R747 PolarHBondContact OE1-NH2 3.23Å; E738-R747 IonicContact OE2-NE 3.67Å
739	H	90.4	Very high	88.5	Confident	67 Å²	67	59.7 Å²	59.7	31%	0.31	30%	0.304	S	S	.	.			trans	-62.9	142.6	171.5	-174.8	86.1	0	0	0	110.6	H735 G736 T745 V746	H735-H739 HydrophobicContact CB-CB 3.67Å; H735-H739 AromaticContact CG-CE1 4Å; H735-H739 AromaticContact CG-ND1 3.88Å; G736-H739 WeakPolarHBondContact O-CB 3.23Å; G736-H739 PolarHBondContact O-N 2.89Å; H739-T745 CarbonylContact O-C 3.54Å; H739-T745 VanDerWaalsContact O-CA 3.25Å; H739-T745 WeakPolarHBondContact O-CA 3.22Å; H739-V746 HydrophobicContact CB-CG2 4.08Å; H739-V746 PolarHBondContact O-N 3.33Å
740	K	88.9	Confident	88.5	Confident	130 Å²	130	59 Å²	59	57%	0.565	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.9	-175.9	-77.4	-168.2	167.3	-119.2	0	113.3	D743 D744 T745	K740-D743 PolarHBondContact NZ-O 2.87Å; K740-D744 CarbonylContact C-O 3.54Å; K740-D744 WeakPolarHBondContact CA-O 3.44Å; K740-T745 HydrophobicContact CG-CG2 4.45Å
741	I	85.2	Confident	88.3	Confident	4 Å²	4	61 Å²	61	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	84.6	171.5	-53.2	-178.4	0	0	0	107	L710 F713 L714 L728 L731 D744 V746	L710-I741 HydrophobicContact CD1-CB 4.39Å; L710-I741 HydrophobicContact CD1-CD1 4.32Å; L710-I741 HydrophobicContact CD1-CG1 3.92Å; L710-I741 HydrophobicContact CD1-CG2 3.97Å; L710-I741 HydrophobicContact CG-CG2 4.45Å; F713-I741 HydrophobicContact CD1-CD1 4.4Å; F713-I741 HydrophobicContact CD1-CG2 4.04Å; F713-I741 HydrophobicContact CE1-CD1 4.38Å; F713-I741 HydrophobicContact CE1-CG2 4.07Å; L714-I741 HydrophobicContact CD2-CG2 4.34Å; L728-I741 HydrophobicContact CD2-CD1 3.65Å; L731-I741 HydrophobicContact CD1-CD1 3.68Å; I741-D744 PolarHBondContact N-O 3.31Å; I741-V746 HydrophobicContact CD1-CG2 3.88Å; I741-V746 HydrophobicContact CG1-CG2 4.11Å
742	G	83.5	Confident	87.9	Confident	65 Å²	65	65.9 Å²	65.9	67%	0.67	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-132.7	-165.5	0	0	0	0	0	111.1
743	D	83.5	Confident	87.6	Confident	148 Å²	148	65.3 Å²	65.3	79%	0.791	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-34.8	-179.7	-64.6	-55.7	0	0	0	113.3	K740	K740-D743 PolarHBondContact NZ-O 2.87Å
744	D	85.7	Confident	87.3	Confident	55 Å²	55	59.3 Å²	59.3	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	153.9	-178.4	-74.1	-46.1	0	0	0	113.2	K740 I741 Q748 K749	K740-D744 CarbonylContact C-O 3.54Å; K740-D744 WeakPolarHBondContact CA-O 3.44Å; I741-D744 PolarHBondContact N-O 3.31Å; D744-Q748 HydrophobicContact CB-CB 4.09Å; D744-Q748 PolarHBondContact OD1-NE2 2.82Å; D744-K749 HydrophobicContact CB-CD 3.97Å; D744-K749 HydrophobicContact CB-CG 4.27Å; D744-K749 WeakPolarHBondContact OD2-CE 3.47Å; D744-K749 IonicContact OD2-NZ 3.18Å; D744-K749 PolarHBondContact OD2-NZ 3.23Å
745	T	91.2	Very high	86.4	Confident	16 Å²	16	61.9 Å²	61.9	10%	0.098	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	161.2	165.8	55.7	0	0	0	0	112.9	H739 K740 R747 Q748 K749	H739-T745 CarbonylContact O-C 3.54Å; H739-T745 VanDerWaalsContact O-CA 3.25Å; H739-T745 WeakPolarHBondContact O-CA 3.22Å; K740-T745 HydrophobicContact CG-CG2 4.45Å; T745-R747 PolarHBondContact O-N 3.13Å; T745-Q748 PolarHBondContact O-N 3.04Å; T745-Q748 VanDerWaalsContact O-N 3.09Å; T745-Q748 WeakPolarHBondContact OG1-CG 3.36Å; T745-Q748 PolarHBondContact OG1-N 2.9Å; T745-Q748 VanDerWaalsContact OG1-N 3.14Å; T745-Q748 PolarHBondContact OG1-OE1 3.1Å; T745-K749 PolarHBondContact O-N 3.49Å
746	V	90.6	Very high	85.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-51	-43.5	166.8	171.7	0	0	0	0	110.1	L728 L731 A732 L737 H739 I741 Q748 K749 L750	L728-V746 HydrophobicContact CD2-CG1 4.48Å; L731-V746 HydrophobicContact CB-CG2 4.35Å; A732-V746 HydrophobicContact CB-CG1 3.92Å; L737-V746 HydrophobicContact CD2-CG1 4.24Å; L737-V746 WeakPolarHBondContact O-CB 3.49Å; L737-V746 PolarHBondContact O-N 3.04Å; H739-V746 HydrophobicContact CB-CG2 4.08Å; H739-V746 PolarHBondContact O-N 3.33Å; I741-V746 HydrophobicContact CD1-CG2 3.88Å; I741-V746 HydrophobicContact CG1-CG2 4.11Å; V746-Q748 PolarHBondContact O-N 3.33Å; V746-K749 PolarHBondContact O-N 3.04Å; V746-L750 HydrophobicContact CG1-CD1 4.13Å; V746-L750 WeakPolarHBondContact O-CB 3.26Å; V746-L750 PolarHBondContact O-N 2.82Å
747	R	90.3	Very high	84.9	Confident	88 Å²	88	59 Å²	59	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-52.9	-51.7	173.8	-177.1	-176.6	-67.1	-85.5	-1.6	112.3	L737 E738 T745 L750 Q751 L783	L737-R747 HydrophobicContact CB-CB 4.23Å; L737-R747 WeakPolarHBondContact O-CB 3.19Å; L737-R747 PolarHBondContact O-N 2.58Å; E738-R747 IonicContact OE1-CZ 3.71Å; E738-R747 IonicContact OE1-NE 2.68Å; E738-R747 PolarHBondContact OE1-NE 3.27Å; E738-R747 IonicContact OE1-NH2 3.73Å; E738-R747 PolarHBondContact OE1-NH2 3.23Å; E738-R747 IonicContact OE2-NE 3.67Å; T745-R747 PolarHBondContact O-N 3.13Å; R747-L750 PolarHBondContact O-N 3.41Å; R747-Q751 WeakPolarHBondContact O-CB 3.46Å; R747-Q751 WeakPolarHBondContact O-CG 3.42Å; R747-Q751 PolarHBondContact O-N 2.96Å; R747-L783 HydrophobicContact CG-CD2 3.98Å
748	Q	86.6	Confident	83.9	Confident	84 Å²	84	57.4 Å²	57.4	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-41	-178.8	-73.3	162.3	-81.3	0	0	111.8	D744 T745 V746 Q751 H752	D744-Q748 HydrophobicContact CB-CB 4.09Å; D744-Q748 PolarHBondContact OD1-NE2 2.82Å; T745-Q748 PolarHBondContact O-N 3.04Å; T745-Q748 VanDerWaalsContact O-N 3.09Å; T745-Q748 WeakPolarHBondContact OG1-CG 3.36Å; T745-Q748 PolarHBondContact OG1-N 2.9Å; T745-Q748 VanDerWaalsContact OG1-N 3.14Å; T745-Q748 PolarHBondContact OG1-OE1 3.1Å; V746-Q748 PolarHBondContact O-N 3.33Å; Q748-Q751 PolarHBondContact O-N 3.38Å; Q748-H752 WeakPolarHBondContact O-CB 3.33Å; Q748-H752 PolarHBondContact O-N 3.32Å
749	K	88.7	Confident	82.6	Confident	58 Å²	58	56.2 Å²	56.2	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-44.9	173.2	-63.5	-52.2	-166	-163.7	0	111.6	F713 L728 D744 T745 V746 H752 L753	F713-K749 HydrophobicContact CE1-CD 4.49Å; F713-K749 HydrophobicContact CE1-CG 4.29Å; F713-K749 HydrophobicContact CZ-CB 4.23Å; F713-K749 HydrophobicContact CZ-CD 4.43Å; F713-K749 HydrophobicContact CZ-CG 4.21Å; L728-K749 HydrophobicContact CD1-CB 3.89Å; L728-K749 HydrophobicContact CD2-CB 3.95Å; D744-K749 HydrophobicContact CB-CD 3.97Å; D744-K749 HydrophobicContact CB-CG 4.27Å; D744-K749 WeakPolarHBondContact OD2-CE 3.47Å; D744-K749 IonicContact OD2-NZ 3.18Å; D744-K749 PolarHBondContact OD2-NZ 3.23Å; T745-K749 PolarHBondContact O-N 3.49Å; V746-K749 PolarHBondContact O-N 3.04Å; K749-H752 PolarHBondContact O-N 3.39Å; K749-L753 VanDerWaalsContact O-CB 3.32Å; K749-L753 WeakPolarHBondContact O-CB 3.31Å; K749-L753 PolarHBondContact O-N 3.36Å
750	L	87.6	Confident	81.3	Confident	4 Å²	4	55 Å²	55	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-37.9	177.1	-117	148	0	0	0	112.4	L728 L737 V746 R747 C754 C779 L783	L728-L750 HydrophobicContact CB-CD1 4.06Å; L728-L750 HydrophobicContact CB-CG 4.26Å; L728-L750 HydrophobicContact CD1-CG 4.25Å; L737-L750 HydrophobicContact CD2-CD1 4.33Å; V746-L750 HydrophobicContact CG1-CD1 4.13Å; V746-L750 WeakPolarHBondContact O-CB 3.26Å; V746-L750 PolarHBondContact O-N 2.82Å; R747-L750 PolarHBondContact O-N 3.41Å; L750-C754 WeakPolarHBondContact O-CB 3.45Å; L750-C754 PolarHBondContact O-N 3.41Å; L750-C779 HydrophobicContact CD2-CB 3.76Å; L750-L783 HydrophobicContact CB-CD1 4.3Å; L750-L783 HydrophobicContact CB-CD2 4Å; L750-L783 HydrophobicContact CB-CG 4.2Å; L750-L783 HydrophobicContact CD2-CD1 4.43Å; L750-L783 HydrophobicContact CD2-CG 4.26Å
751	Q	83.2	Confident	80	Confident	59 Å²	59	52.8 Å²	52.8	28%	0.276	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-44.2	172.7	-81.4	175.9	-57.4	0	0	111.3	D554 R747 Q748 C754 R755 L783	D554-Q751 PolarHBondContact OD1-NE2 2.81Å; D554-Q751 VanDerWaalsContact OD1-NE2 3.09Å; R747-Q751 WeakPolarHBondContact O-CB 3.46Å; R747-Q751 WeakPolarHBondContact O-CG 3.42Å; R747-Q751 PolarHBondContact O-N 2.96Å; Q748-Q751 PolarHBondContact O-N 3.38Å; Q751-C754 PolarHBondContact O-N 3.01Å; Q751-R755 PolarHBondContact O-N 3.01Å; Q751-L783 HydrophobicContact CB-CD1 4.44Å; Q751-L783 HydrophobicContact CG-CD1 3.82Å; Q751-L783 HydrophobicContact CG-CD2 3.92Å
752	H	81.8	Confident	79	Confident	104 Å²	104	52.9 Å²	52.9	48%	0.481	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-47.1	177.8	-166.8	76.9	0	0	0	111.6	Q748 K749 C754 R755 Q756	Q748-H752 WeakPolarHBondContact O-CB 3.33Å; Q748-H752 PolarHBondContact O-N 3.32Å; K749-H752 PolarHBondContact O-N 3.39Å; H752-C754 PolarHBondContact O-N 3.09Å; H752-R755 WeakPolarHBondContact O-CB 3.39Å; H752-R755 PolarHBondContact O-N 2.8Å; H752-R755 VanDerWaalsContact O-N 3.15Å; H752-Q756 PolarHBondContact CD2-NE2 3.3Å; H752-Q756 PolarHBondContact NE2-NE2 3.49Å; H752-Q756 WeakPolarHBondContact O-CG 3.42Å; H752-Q756 PolarHBondContact O-N 2.83Å
753	L	83.8	Confident	78.1	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-44.1	175.8	-179.4	65.2	0	0	0	112	L721 Q724 M725 L728 K749 R755 Q756 A757	L721-L753 HydrophobicContact CB-CD1 4.17Å; L721-L753 HydrophobicContact CD2-CD1 3.52Å; L721-L753 HydrophobicContact CG-CD1 4.46Å; Q724-L753 HydrophobicContact CB-CD1 4Å; Q724-L753 HydrophobicContact CB-CD2 3.96Å; M725-L753 HydrophobicContact CB-CD2 3.81Å; L728-L753 HydrophobicContact CD1-CD2 3.94Å; K749-L753 VanDerWaalsContact O-CB 3.32Å; K749-L753 WeakPolarHBondContact O-CB 3.31Å; K749-L753 PolarHBondContact O-N 3.36Å; L753-R755 VanDerWaalsContact C-N 3.29Å; L753-R755 PolarHBondContact O-N 2.86Å; L753-Q756 PolarHBondContact O-N 3.45Å; L753-A757 WeakPolarHBondContact O-CB 3.47Å; L753-A757 PolarHBondContact O-N 3.31Å
754	C	80.5	Confident	76.6	Confident	4 Å²	4	49 Å²	49	3%	0.027	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-42.8	174.2	-170.8	0	0	0	0	111.3	L750 Q751 H752 S758 C779 L783	L750-C754 WeakPolarHBondContact O-CB 3.45Å; L750-C754 PolarHBondContact O-N 3.41Å; Q751-C754 PolarHBondContact O-N 3.01Å; H752-C754 PolarHBondContact O-N 3.09Å; C754-S758 VanDerWaalsContact O-CB 3.25Å; C754-S758 WeakPolarHBondContact O-CB 3.4Å; C754-S758 PolarHBondContact O-N 2.98Å; C754-S758 PolarHBondContact O-OG 3.13Å; C754-C779 HydrophobicContact CB-CB 3.78Å; C754-L783 HydrophobicContact CB-CD1 4.24Å
755	R	71.2	Confident	74.7	Confident	145 Å²	145	48.3 Å²	48.3	55%	0.547	22%	0.223	S	C	.	.	H	α-helix	trans	-67.5	-43	176.7	-157.9	-179	85.9	143.2	7.2	112.2	Q751 H752 L753 S758 L759	Q751-R755 PolarHBondContact O-N 3.01Å; H752-R755 WeakPolarHBondContact O-CB 3.39Å; H752-R755 PolarHBondContact O-N 2.8Å; H752-R755 VanDerWaalsContact O-N 3.15Å; L753-R755 VanDerWaalsContact C-N 3.29Å; L753-R755 PolarHBondContact O-N 2.86Å; R755-S758 PolarHBondContact O-N 3.35Å; R755-L759 HydrophobicContact CG-CD1 4.33Å; R755-L759 VanDerWaalsContact O-CG 3.31Å; R755-L759 WeakPolarHBondContact O-CG 3.26Å; R755-L759 PolarHBondContact O-N 3.27Å
756	Q	73.5	Confident	72.1	Confident	58 Å²	58	54.1 Å²	54.1	27%	0.271	25%	0.247	S	C	.	.	H	α-helix	trans	-60.7	-51.9	175.6	-72.8	-174.5	-2.7	0	0	111.6	L721 H752 L753 S758 L759 A760	L721-Q756 HydrophobicContact CD2-CB 4.02Å; H752-Q756 PolarHBondContact CD2-NE2 3.3Å; H752-Q756 PolarHBondContact NE2-NE2 3.49Å; H752-Q756 WeakPolarHBondContact O-CG 3.42Å; H752-Q756 PolarHBondContact O-N 2.83Å; L753-Q756 PolarHBondContact O-N 3.45Å; Q756-S758 VanDerWaalsContact C-N 3.28Å; Q756-S758 PolarHBondContact O-N 3.04Å; Q756-L759 PolarHBondContact O-N 2.82Å; Q756-A760 VanDerWaalsContact O-CB 3.3Å; Q756-A760 WeakPolarHBondContact O-CB 3.25Å; Q756-A760 PolarHBondContact O-N 3.13Å
757	A	74.4	Confident	69.7	Low	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-36.3	178.1	0	0	0	0	0	112.4	L721 L753 A760 K761 S762 I775 V776	L721-A757 HydrophobicContact CD1-CB 4.28Å; L753-A757 WeakPolarHBondContact O-CB 3.47Å; L753-A757 PolarHBondContact O-N 3.31Å; A757-A760 PolarHBondContact O-N 3.19Å; A757-K761 PolarHBondContact O-N 3.48Å; A757-S762 PolarHBondContact O-N 2.97Å; A757-I775 HydrophobicContact CB-CB 4.41Å; A757-I775 HydrophobicContact CB-CG2 3.75Å; A757-V776 HydrophobicContact CB-CG2 3.77Å
758	S	69.1	Low	67.1	Low	3 Å²	3	58.6 Å²	58.6	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-44.5	175.3	-60.1	0	0	0	0	112.1	C754 R755 Q756 K761 V776	C754-S758 VanDerWaalsContact O-CB 3.25Å; C754-S758 WeakPolarHBondContact O-CB 3.4Å; C754-S758 PolarHBondContact O-N 2.98Å; C754-S758 PolarHBondContact O-OG 3.13Å; R755-S758 PolarHBondContact O-N 3.35Å; Q756-S758 VanDerWaalsContact C-N 3.28Å; Q756-S758 PolarHBondContact O-N 3.04Å; S758-K761 PolarHBondContact O-N 3.31Å; S758-V776 WeakPolarHBondContact OG-CG1 3.35Å
759	L	64.2	Low	64.8	Low	86 Å²	86	61.2 Å²	61.2	45%	0.45	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-37.8	175	-70.9	166.9	0	0	0	112.3	R755 Q756 K761	R755-L759 HydrophobicContact CG-CD1 4.33Å; R755-L759 VanDerWaalsContact O-CG 3.31Å; R755-L759 WeakPolarHBondContact O-CG 3.26Å; R755-L759 PolarHBondContact O-N 3.27Å; Q756-L759 PolarHBondContact O-N 2.82Å; L759-K761 PolarHBondContact O-N 2.88Å
760	A	64.3	Low	62.5	Low	43 Å²	43	63 Å²	63	36%	0.355	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	2.6	177.5	0	0	0	0	0	114.1	L721 Q756 A757 S762	L721-A760 HydrophobicContact CD1-CB 4.18Å; Q756-A760 VanDerWaalsContact O-CB 3.3Å; Q756-A760 WeakPolarHBondContact O-CB 3.25Å; Q756-A760 PolarHBondContact O-N 3.13Å; A757-A760 PolarHBondContact O-N 3.19Å; A760-S762 WeakPolarHBondContact CB-OG 3.04Å; A760-S762 PolarHBondContact O-N 3.36Å
761	K	61.3	Low	60.2	Low	82 Å²	82	70.9 Å²	70.9	36%	0.357	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	19.2	-176.1	-39.1	173.1	-153.9	-176.5	0	113.6	P561 F577 E616 A757 S758 L759 W763	P561-K761 HydrophobicContact CG-CG 4.22Å; F577-K761 HydrophobicContact CD2-CD 3.51Å; F577-K761 HydrophobicContact CD2-CG 3.62Å; F577-K761 HydrophobicContact CE2-CD 3.98Å; F577-K761 HydrophobicContact CE2-CG 3.61Å; F577-K761 HydrophobicContact CG-CD 4.41Å; E616-K761 IonicContact OE2-NZ 2.76Å; E616-K761 PolarHBondContact OE2-NZ 3.31Å; A757-K761 PolarHBondContact O-N 3.48Å; S758-K761 PolarHBondContact O-N 3.31Å; L759-K761 PolarHBondContact O-N 2.88Å; K761-W763 PolarHBondContact O-N 2.81Å
762	S	64.3	Low	58.4	Low	7 Å²	7	71.5 Å²	71.5	5%	0.049	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	51.5	-173.5	-47.4	0	0	0	0	113.1	A757 A760	A757-S762 PolarHBondContact O-N 2.97Å; A760-S762 WeakPolarHBondContact CB-OG 3.04Å; A760-S762 PolarHBondContact O-N 3.36Å
763	W	64.2	Low	57.3	Low	14 Å²	14	69.4 Å²	69.4	5%	0.053	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.7	158.4	-49	98.8	0	0	0	110.9	Y556 D560 K761 V776 P898	Y556-W763 HydrophobicContact CD2-CH2 4.02Å; Y556-W763 HydrophobicContact CD2-CZ3 4.06Å; D560-W763 HydrophobicContact CB-CH2 4.34Å; D560-W763 HydrophobicContact CB-CZ2 3.83Å; K761-W763 PolarHBondContact O-N 2.81Å; W763-V776 HydrophobicContact CD2-CB 4.47Å; W763-V776 HydrophobicContact CD2-CG2 4.49Å; W763-V776 HydrophobicContact CE3-CB 3.86Å; W763-V776 HydrophobicContact CE3-CG1 4Å; W763-V776 HydrophobicContact CE3-CG2 4.37Å; W763-V776 HydrophobicContact CH2-CB 4.46Å; W763-V776 HydrophobicContact CH2-CG1 3.77Å; W763-V776 HydrophobicContact CZ3-CB 3.88Å; W763-V776 HydrophobicContact CZ3-CG1 3.46Å; W763-V776 VanDerWaalsContact CZ3-CG1 3.46Å; W763-P898 HydrophobicContact CH2-CG 4.13Å; W763-P898 HydrophobicContact CZ3-CG 4.05Å
764	W	52.1	Low	56.6	Low	117 Å²	117	71.4 Å²	71.4	44%	0.443	36%	0.364	S	S	.	.			trans	-151.1	156.7	-178.2	168.4	85.1	0	0	0	110	F766	W764-F766 HydrophobicContact CH2-CB 3.6Å; W764-F766 AromaticContact CH2-CD2 3.78Å; W764-F766 HydrophobicContact CH2-CD2 3.78Å; W764-F766 HydrophobicContact CH2-CG 4.18Å; W764-F766 HydrophobicContact CZ2-CB 3.81Å; W764-F766 AromaticContact CZ2-CD2 3.75Å; W764-F766 HydrophobicContact CZ2-CD2 3.75Å; W764-F766 HydrophobicContact CZ2-CG 4.26Å; W764-F766 HydrophobicContact CZ3-CB 4.24Å
765	V	44.8	Very low	56.5	Low	40 Å²	40	71.2 Å²	71.2	24%	0.242	36%	0.363	C	S	.	.			trans	-136.1	143.3	167.9	178.1	0	0	0	0	108.1	T692 C767 I775	T692-V765 HydrophobicContact CG2-CG1 3.59Å; V765-C767 PolarHBondContact O-N 3.05Å; V765-I775 HydrophobicContact CG2-CD1 4.29Å
766	F	38.1	Very low	57	Low	139 Å²	139	64.3 Å²	64.3	61%	0.61	34%	0.337	S	S	*	.			trans	-74.6	115.8	-179.7	-177.1	-92.6	0	0	0	111.7	W764 S768	W764-F766 HydrophobicContact CH2-CB 3.6Å; W764-F766 AromaticContact CH2-CD2 3.78Å; W764-F766 HydrophobicContact CH2-CD2 3.78Å; W764-F766 HydrophobicContact CH2-CG 4.18Å; W764-F766 HydrophobicContact CZ2-CB 3.81Å; W764-F766 AromaticContact CZ2-CD2 3.75Å; W764-F766 HydrophobicContact CZ2-CD2 3.75Å; W764-F766 HydrophobicContact CZ2-CG 4.26Å; W764-F766 HydrophobicContact CZ3-CB 4.24Å; F766-S768 WeakPolarHBondContact CE1-OG 3.4Å
767	C	38.8	Very low	57.5	Low	85 Å²	85	61.6 Å²	61.6	57%	0.574	33%	0.325	S	S	*	.			trans	-133.6	131.1	167.3	-175.3	0	0	0	0	110.5	V765 I769	V765-C767 PolarHBondContact O-N 3.05Å; C767-I769 PolarHBondContact O-N 3.06Å
768	S	37.4	Very low	58	Low	96 Å²	96	62.5 Å²	62.5	67%	0.671	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-8	-159.9	-48.5	0	0	0	0	116.2	F766	F766-S768 WeakPolarHBondContact CE1-OG 3.4Å
769	I	37.5	Very low	58.8	Low	139 Å²	139	62.3 Å²	62.3	71%	0.713	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.1	42	-163.8	-36	-176.8	0	0	0	112.5	C767	C767-I769 PolarHBondContact O-N 3.06Å
770	S	39.7	Very low	59.8	Low	96 Å²	96	58.2 Å²	58.2	67%	0.671	31%	0.307	S	S	*	.	S	Bend	trans	56.8	93.5	169.9	65	0	0	0	0	118
771	Q	39.8	Very low	60.9	Low	169 Å²	169	56.2 Å²	56.2	79%	0.79	29%	0.29	S	S	*	.				-168.8	157.1	107.5	-99.1	179.3	-1.6	0	0	108.4
772	E	46.4	Very low	62.1	Low	72 Å²	72	53.8 Å²	53.8	34%	0.336	28%	0.281	S	S	.	.			trans	-96.1	132.4	-164.1	-66.5	171.2	-142.5	0	0	114	S891 S892 S895	E772-S891 VanDerWaalsContact CD-CB 3.43Å; E772-S891 WeakPolarHBondContact OE1-CA 3.28Å; E772-S891 WeakPolarHBondContact OE1-CB 3.37Å; E772-S891 WeakPolarHBondContact OE2-CB 3.35Å; E772-S892 VanDerWaalsContact CD-N 3.25Å; E772-S892 PolarHBondContact OE1-N 3.46Å; E772-S892 WeakPolarHBondContact OE2-CB 3.24Å; E772-S892 PolarHBondContact OE2-N 2.91Å; E772-S895 WeakPolarHBondContact OE2-CB 2.54Å
773	E	57.3	Low	63.1	Low	60 Å²	60	54 Å²	54	28%	0.28	28%	0.281	S	S	.	.			trans	-107.2	113.2	-169.5	-65.2	-179.6	169.8	0	0	112.3	F722 I775	F722-E773 HydrophobicContact CD2-CB 3.76Å; F722-E773 HydrophobicContact CD2-CG 3.88Å; F722-E773 WeakPolarHBondContact CD2-OE2 3.34Å; F722-E773 WeakPolarHBondContact CE1-OE1 3.46Å; F722-E773 HydrophobicContact CE2-CB 3.74Å; F722-E773 HydrophobicContact CE2-CG 3.47Å; F722-E773 VanDerWaalsContact CE2-CG 3.47Å; F722-E773 WeakPolarHBondContact CG-OE2 3.37Å; F722-E773 VanDerWaalsContact CZ-CD 3.46Å; F722-E773 HydrophobicContact CZ-CG 3.93Å; F722-E773 VanDerWaalsContact CZ-OE1 3.26Å; F722-E773 WeakPolarHBondContact CZ-OE1 3.27Å; E773-I775 PolarHBondContact O-N 3.04Å
774	K	69.5	Low	64.3	Low	44 Å²	44	57.6 Å²	57.6	19%	0.191	30%	0.295	C	S	.	.			trans	-101.6	44.8	-159	-51.7	169.8	-179.5	-171.5	0	113.5	V776 R777 V778 D837 P839 Y894	K774-V776 PolarHBondContact O-N 3.19Å; K774-R777 PolarHBondContact O-N 3.11Å; K774-R777 VanDerWaalsContact O-N 3.16Å; K774-V778 HydrophobicContact CB-CG2 4.03Å; K774-V778 WeakPolarHBondContact O-CG2 2.98Å; K774-V778 PolarHBondContact O-N 3.47Å; K774-D837 IonicContact NZ-OD1 3.31Å; K774-P839 HydrophobicContact CD-CB 4.22Å; K774-P839 HydrophobicContact CD-CG 3.58Å; K774-Y894 HydrophobicContact CD-CD1 4.24Å; K774-Y894 HydrophobicContact CD-CD2 4.46Å; K774-Y894 HydrophobicContact CD-CG 3.87Å; K774-Y894 VanDerWaalsContact CE-CB 3.43Å; K774-Y894 VanDerWaalsContact NZ-CG 3.32Å
775	I	77.7	Confident	65.7	Low	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-47.7	-58	-158.9	-52.1	178.7	0	0	0	113.8	L721 F722 M725 A757 V765 E773 R777 V778 C779	L721-I775 HydrophobicContact CB-CD1 3.94Å; F722-I775 HydrophobicContact CB-CD1 4.06Å; F722-I775 HydrophobicContact CD2-CG1 4.4Å; M725-I775 HydrophobicContact CB-CG2 4.26Å; M725-I775 HydrophobicContact CG-CG2 4.34Å; A757-I775 HydrophobicContact CB-CB 4.41Å; A757-I775 HydrophobicContact CB-CG2 3.75Å; V765-I775 HydrophobicContact CG2-CD1 4.29Å; E773-I775 PolarHBondContact O-N 3.04Å; I775-R777 PolarHBondContact O-N 2.89Å; I775-V778 PolarHBondContact O-N 3.49Å; I775-C779 WeakPolarHBondContact O-CB 3.27Å; I775-C779 PolarHBondContact O-N 2.92Å; I775-C779 PolarHBondContact O-SG 2.86Å
776	V	81.6	Confident	67.4	Low	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-43.7	-175.4	178.8	0	0	0	0	112.3	A757 S758 W763 K774 C779 A780	A757-V776 HydrophobicContact CB-CG2 3.77Å; S758-V776 WeakPolarHBondContact OG-CG1 3.35Å; W763-V776 HydrophobicContact CD2-CB 4.47Å; W763-V776 HydrophobicContact CD2-CG2 4.49Å; W763-V776 HydrophobicContact CE3-CB 3.86Å; W763-V776 HydrophobicContact CE3-CG1 4Å; W763-V776 HydrophobicContact CE3-CG2 4.37Å; W763-V776 HydrophobicContact CH2-CB 4.46Å; W763-V776 HydrophobicContact CH2-CG1 3.77Å; W763-V776 HydrophobicContact CZ3-CB 3.88Å; W763-V776 HydrophobicContact CZ3-CG1 3.46Å; W763-V776 VanDerWaalsContact CZ3-CG1 3.46Å; K774-V776 PolarHBondContact O-N 3.19Å; V776-C779 PolarHBondContact O-N 3.46Å; V776-A780 WeakPolarHBondContact O-CB 3.43Å; V776-A780 PolarHBondContact O-N 3.49Å
777	R	84.8	Confident	69.1	Low	1 Å²	1	47.5 Å²	47.5	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-70.1	-36.6	-179	-67.7	-170.5	175.3	102.7	-3.1	112.2	K774 I775 A781 P839 V842 E846 Y894 M896	K774-R777 PolarHBondContact O-N 3.11Å; K774-R777 VanDerWaalsContact O-N 3.16Å; I775-R777 PolarHBondContact O-N 2.89Å; R777-A781 VanDerWaalsContact O-CB 3.32Å; R777-A781 WeakPolarHBondContact O-CB 3.47Å; R777-A781 PolarHBondContact O-N 3.39Å; R777-P839 HydrophobicContact CB-CB 3.62Å; R777-V842 HydrophobicContact CB-CB 4.28Å; R777-V842 HydrophobicContact CB-CG1 4.23Å; R777-V842 HydrophobicContact CG-CB 4.41Å; R777-V842 HydrophobicContact CG-CG1 3.99Å; R777-V842 WeakPolarHBondContact O-CG2 3.18Å; R777-E846 IonicContact CZ-OE1 2.62Å; R777-E846 IonicContact CZ-OE2 2.69Å; R777-E846 IonicContact NE-OE1 3.74Å; R777-E846 PolarHBondContact NE-OE1 2.96Å; R777-E846 IonicContact NE-OE2 2.77Å; R777-E846 IonicContact NH2-OE1 2.89Å; R777-E846 PolarHBondContact NH2-OE1 2.86Å; R777-E846 IonicContact NH2-OE2 3.56Å; R777-E846 PolarHBondContact NH2-OE2 3.02Å; R777-Y894 PolarHBondContact NH1-O 3.25Å; R777-M896 VanDerWaalsContact CZ-O 3.27Å; R777-M896 PolarHBondContact NH1-O 2.85Å; R777-M896 PolarHBondContact NH2-O 2.79Å
778	V	84.2	Confident	70.5	Confident	18 Å²	18	48.4 Å²	48.4	11%	0.109	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-45.1	174.6	173.6	0	0	0	0	110.9	M725 K774 I775 A780 A781 H782 P839	M725-V778 HydrophobicContact CG-CG1 4.27Å; M725-V778 HydrophobicContact SD-CB 4.31Å; M725-V778 HydrophobicContact SD-CG1 3.58Å; M725-V778 VanDerWaalsContact SD-CG1 3.58Å; K774-V778 HydrophobicContact CB-CG2 4.03Å; K774-V778 WeakPolarHBondContact O-CG2 2.98Å; K774-V778 PolarHBondContact O-N 3.47Å; I775-V778 PolarHBondContact O-N 3.49Å; V778-A780 PolarHBondContact O-N 2.86Å; V778-A781 PolarHBondContact O-N 3.26Å; V778-H782 PolarHBondContact O-CD2 3.15Å; V778-H782 PolarHBondContact O-N 2.88Å; V778-P839 HydrophobicContact CG2-CB 4.4Å; V778-P839 HydrophobicContact CG2-CG 4.27Å
779	C	86	Confident	72.1	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-43.7	175.8	-68.4	0	0	0	0	112.5	L750 C754 I775 V776 A781 L783	L750-C779 HydrophobicContact CD2-CB 3.76Å; C754-C779 HydrophobicContact CB-CB 3.78Å; I775-C779 WeakPolarHBondContact O-CB 3.27Å; I775-C779 PolarHBondContact O-N 2.92Å; I775-C779 PolarHBondContact O-SG 2.86Å; V776-C779 PolarHBondContact O-N 3.46Å; C779-A781 VanDerWaalsContact C-N 3.32Å; C779-A781 PolarHBondContact O-N 3.01Å; C779-L783 WeakPolarHBondContact O-CB 3.3Å; C779-L783 WeakPolarHBondContact O-CD1 3.32Å; C779-L783 VanDerWaalsContact O-CG 3.3Å; C779-L783 WeakPolarHBondContact O-CG 3.39Å; C779-L783 PolarHBondContact O-N 2.93Å; C779-L783 VanDerWaalsContact O-N 3.13Å
780	A	85.6	Confident	74.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-33.8	176.2	0	0	0	0	0	112.8	Y556 V776 V778 R784 K785 V842	Y556-A780 HydrophobicContact CD1-CB 3.91Å; Y556-A780 HydrophobicContact CE1-CB 4.24Å; Y556-A780 HydrophobicContact CG-CB 4.36Å; V776-A780 WeakPolarHBondContact O-CB 3.43Å; V776-A780 PolarHBondContact O-N 3.49Å; V778-A780 PolarHBondContact O-N 2.86Å; A780-R784 PolarHBondContact O-N 3.37Å; A780-K785 HydrophobicContact CB-CB 4.43Å; A780-K785 PolarHBondContact O-N 3.09Å; A780-V842 HydrophobicContact CB-CG1 4.1Å; A780-V842 HydrophobicContact CB-CG2 3.99Å
781	A	87.8	Confident	76.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-50.1	176.2	0	0	0	0	0	112.2	R777 V778 C779 L783 R784 L834 P838 V842	R777-A781 VanDerWaalsContact O-CB 3.32Å; R777-A781 WeakPolarHBondContact O-CB 3.47Å; R777-A781 PolarHBondContact O-N 3.39Å; V778-A781 PolarHBondContact O-N 3.26Å; C779-A781 VanDerWaalsContact C-N 3.32Å; C779-A781 PolarHBondContact O-N 3.01Å; A781-L783 PolarHBondContact O-N 3.19Å; A781-R784 PolarHBondContact O-N 3.46Å; A781-L834 HydrophobicContact CB-CD1 4.45Å; A781-P838 HydrophobicContact CB-CB 4.06Å; A781-P838 VanDerWaalsContact CB-O 3.26Å; A781-P838 WeakPolarHBondContact CB-O 3.36Å; A781-V842 HydrophobicContact CB-CG2 3.84Å
782	H	86.1	Confident	77.9	Confident	32 Å²	32	28.9 Å²	28.9	15%	0.148	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-24.7	178.6	-69.1	-57.3	0	0	0	113.4	E729 V778 R784	E729-H782 IonicContact OE1-NE2 3.83Å; V778-H782 PolarHBondContact O-CD2 3.15Å; V778-H782 PolarHBondContact O-N 2.88Å; H782-R784 VanDerWaalsContact C-N 3.29Å
783	L	86.6	Confident	79.6	Confident	12 Å²	12	26.1 Å²	26.1	6%	0.063	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.9	171.5	-72.1	169.6	0	0	0	114.2	R747 L750 Q751 C754 C779 A781 K785	R747-L783 HydrophobicContact CG-CD2 3.98Å; L750-L783 HydrophobicContact CB-CD1 4.3Å; L750-L783 HydrophobicContact CB-CD2 4Å; L750-L783 HydrophobicContact CB-CG 4.2Å; L750-L783 HydrophobicContact CD2-CD1 4.43Å; L750-L783 HydrophobicContact CD2-CG 4.26Å; Q751-L783 HydrophobicContact CB-CD1 4.44Å; Q751-L783 HydrophobicContact CG-CD1 3.82Å; Q751-L783 HydrophobicContact CG-CD2 3.92Å; C754-L783 HydrophobicContact CB-CD1 4.24Å; C779-L783 WeakPolarHBondContact O-CB 3.3Å; C779-L783 WeakPolarHBondContact O-CD1 3.32Å; C779-L783 VanDerWaalsContact O-CG 3.3Å; C779-L783 WeakPolarHBondContact O-CG 3.39Å; C779-L783 PolarHBondContact O-N 2.93Å; C779-L783 VanDerWaalsContact O-N 3.13Å; A781-L783 PolarHBondContact O-N 3.19Å; L783-K785 VanDerWaalsContact C-N 3.34Å; L783-K785 HydrophobicContact CB-CD 4.27Å; L783-K785 HydrophobicContact CB-CG 3.86Å; L783-K785 HydrophobicContact CD1-CD 4.39Å; L783-K785 PolarHBondContact O-N 3.16Å
784	R	88	Confident	81.2	Confident	89 Å²	89	23.4 Å²	23.4	34%	0.336	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	46.5	-171.9	-60.8	-168.4	76.9	-166.2	8.2	113.8	A780 A781 H782 E826 D827 F830	A780-R784 PolarHBondContact O-N 3.37Å; A781-R784 PolarHBondContact O-N 3.46Å; H782-R784 VanDerWaalsContact C-N 3.29Å; R784-E826 IonicContact CZ-OE1 2.7Å; R784-E826 IonicContact NE-OE1 2.83Å; R784-E826 IonicContact NH1-OE1 2.79Å; R784-E826 PolarHBondContact NH1-OE1 3.17Å; R784-E826 PolarHBondContact NH2-O 3.06Å; R784-E826 IonicContact NH2-OE1 2.72Å; R784-D827 IonicContact CZ-OD1 3.93Å; R784-D827 IonicContact NH1-OD1 3.11Å; R784-D827 PolarHBondContact NH1-OD1 2.9Å; R784-D827 IonicContact NH2-OD1 3.94Å; R784-D827 PolarHBondContact NH2-OD1 3.04Å; R784-F830 VanDerWaalsContact CA-CE2 3.48Å; R784-F830 VanDerWaalsContact CA-CZ 3.49Å; R784-F830 HydrophobicContact CB-CD2 3.86Å; R784-F830 HydrophobicContact CB-CE2 3.73Å; R784-F830 HydrophobicContact CB-CG 4.45Å; R784-F830 HydrophobicContact CB-CZ 4.23Å; R784-F830 HydrophobicContact CG-CD2 3.99Å; R784-F830 HydrophobicContact CG-CE2 4.3Å; R784-F830 HydrophobicContact CG-CG 4.13Å
785	K	82.1	Confident	82	Confident	23 Å²	23	21.5 Å²	21.5	10%	0.1	12%	0.116	C	C	.	.			trans	-76.6	131.5	-177.2	-69.1	-168.5	161.4	-163.6	0	112.7	D554 F555 A780 L783 Q845	D554-K785 WeakPolarHBondContact O-CD 3.29Å; D554-K785 WeakPolarHBondContact O-CE 3.21Å; D554-K785 PolarHBondContact O-NZ 3.32Å; D554-K785 WeakPolarHBondContact OD1-CE 3.26Å; D554-K785 IonicContact OD1-NZ 2.7Å; D554-K785 PolarHBondContact OD1-NZ 2.9Å; F555-K785 HydrophobicContact CE2-CB 4.37Å; A780-K785 HydrophobicContact CB-CB 4.43Å; A780-K785 PolarHBondContact O-N 3.09Å; L783-K785 VanDerWaalsContact C-N 3.34Å; L783-K785 HydrophobicContact CB-CD 4.27Å; L783-K785 HydrophobicContact CB-CG 3.86Å; L783-K785 HydrophobicContact CD1-CD 4.39Å; L783-K785 PolarHBondContact O-N 3.16Å; K785-Q845 PolarHBondContact O-NE2 3.13Å; K785-Q845 PolarHBondContact O-OE1 2.86Å
786	V	80.2	Confident	82.3	Confident	38 Å²	38	22.9 Å²	22.9	23%	0.23	13%	0.126	C	C	.	.			trans	-131.1	134.3	-172	-177.4	0	0	0	0	111.6	F555 L790 E826 F830 Q845	F555-V786 VanDerWaalsContact CE2-C 3.43Å; F555-V786 WeakPolarHBondContact CE2-O 3.28Å; V786-L790 HydrophobicContact CG1-CD1 3.62Å; V786-E826 HydrophobicContact CG2-CB 3.76Å; V786-E826 HydrophobicContact CG2-CG 3.57Å; V786-F830 HydrophobicContact CG2-CE2 3.77Å; V786-Q845 VanDerWaalsContact CA-OE1 3.32Å
787	V	74.3	Confident	82.8	Confident	22 Å²	22	22.9 Å²	22.9	13%	0.133	13%	0.126	C	C	.	.			trans	-84.4	129.5	177.6	-137.7	0	0	0	0	112.7	F555 L557 S789 L790 Q845 I849	F555-V787 HydrophobicContact CD1-CG1 3.99Å; F555-V787 HydrophobicContact CE1-CB 4Å; F555-V787 HydrophobicContact CE1-CG1 3.63Å; F555-V787 HydrophobicContact CE1-CG2 3.58Å; F555-V787 HydrophobicContact CZ-CB 3.9Å; F555-V787 HydrophobicContact CZ-CG1 3.95Å; F555-V787 HydrophobicContact CZ-CG2 3.56Å; L557-V787 HydrophobicContact CD1-CG2 4.44Å; V787-S789 WeakPolarHBondContact CG1-OG 3.43Å; V787-S789 PolarHBondContact O-N 2.88Å; V787-L790 HydrophobicContact CB-CD1 4.4Å; V787-L790 HydrophobicContact CB-CG 4.09Å; V787-L790 HydrophobicContact CG2-CD1 4.21Å; V787-L790 HydrophobicContact CG2-CD2 4.37Å; V787-L790 HydrophobicContact CG2-CG 4.05Å; V787-L790 WeakPolarHBondContact O-CB 3.13Å; V787-L790 WeakPolarHBondContact O-CD1 3.29Å; V787-L790 VanDerWaalsContact O-CG 3.28Å; V787-L790 WeakPolarHBondContact O-CG 3.4Å; V787-L790 PolarHBondContact O-N 3.32Å; V787-Q845 HydrophobicContact CG2-CB 4.04Å; V787-Q845 VanDerWaalsContact CG2-OE1 3.23Å; V787-Q845 VanDerWaalsContact N-OE1 3.14Å; V787-I849 HydrophobicContact CB-CD1 3.81Å; V787-I849 HydrophobicContact CG1-CD1 3.96Å; V787-I849 HydrophobicContact CG2-CD1 3.48Å; V787-I849 VanDerWaalsContact CG2-CD1 3.48Å
788	D	69.1	Low	83.1	Confident	105 Å²	105	23.6 Å²	23.6	56%	0.561	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-29.7	170.9	-85.5	-43.5	0	0	0	114.1	P526 L790 P792	P526-D788 HydrophobicContact CG-CB 4.39Å; D788-L790 VanDerWaalsContact C-N 3.31Å; D788-L790 PolarHBondContact O-N 3.15Å; D788-P792 WeakPolarHBondContact O-CD 3.3Å
789	S	70.2	Confident	83.1	Confident	44 Å²	44	23 Å²	23	31%	0.308	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.8	-176.6	57.4	0	0	0	0	114.3	V787 P792 S793 I849	V787-S789 WeakPolarHBondContact CG1-OG 3.43Å; V787-S789 PolarHBondContact O-N 2.88Å; S789-P792 WeakPolarHBondContact O-CD 3.31Å; S789-S793 WeakPolarHBondContact O-CB 3.28Å; S789-S793 PolarHBondContact O-N 2.97Å; S789-S793 PolarHBondContact O-OG 3.27Å; S789-I849 VanDerWaalsContact OG-CD1 3.23Å; S789-I849 WeakPolarHBondContact OG-CD1 3.34Å
790	L	81.3	Confident	83.2	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-53.9	-179.7	-69.6	167.2	0	0	0	112.9	V786 V787 D788 S793 I794 I825 L829 Q845 I848 I849	V786-L790 HydrophobicContact CG1-CD1 3.62Å; V787-L790 HydrophobicContact CB-CD1 4.4Å; V787-L790 HydrophobicContact CB-CG 4.09Å; V787-L790 HydrophobicContact CG2-CD1 4.21Å; V787-L790 HydrophobicContact CG2-CD2 4.37Å; V787-L790 HydrophobicContact CG2-CG 4.05Å; V787-L790 WeakPolarHBondContact O-CB 3.13Å; V787-L790 WeakPolarHBondContact O-CD1 3.29Å; V787-L790 VanDerWaalsContact O-CG 3.28Å; V787-L790 WeakPolarHBondContact O-CG 3.4Å; V787-L790 PolarHBondContact O-N 3.32Å; D788-L790 VanDerWaalsContact C-N 3.31Å; D788-L790 PolarHBondContact O-N 3.15Å; L790-S793 WeakPolarHBondContact O-CA 3.36Å; L790-S793 WeakPolarHBondContact O-CB 3.48Å; L790-S793 PolarHBondContact O-N 3.04Å; L790-I794 WeakPolarHBondContact O-CG1 3.5Å; L790-I794 PolarHBondContact O-N 3.35Å; L790-I825 HydrophobicContact CB-CG2 4.31Å; L790-I825 HydrophobicContact CD1-CG2 4.08Å; L790-L829 HydrophobicContact CD1-CD1 4.08Å; L790-Q845 HydrophobicContact CD1-CB 4.39Å; L790-Q845 HydrophobicContact CD1-CG 3.77Å; L790-Q845 HydrophobicContact CD2-CB 3.84Å; L790-Q845 HydrophobicContact CD2-CG 3.98Å; L790-Q845 HydrophobicContact CG-CG 4.47Å; L790-I848 HydrophobicContact CD2-CB 4.04Å; L790-I848 HydrophobicContact CD2-CG2 3.76Å; L790-I849 HydrophobicContact CD2-CD1 4.29Å; L790-I849 HydrophobicContact CD2-CG1 4.15Å
791	A	80.8	Confident	83.2	Confident	5 Å²	5	27.6 Å²	27.6	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-42.2	-177.8	0	0	0	0	0	112.8	T795 I825	A791-T795 WeakPolarHBondContact O-CB 3.31Å; A791-T795 PolarHBondContact O-N 2.85Å; A791-T795 PolarHBondContact O-OG1 2.97Å; A791-I825 HydrophobicContact CB-CD1 3.72Å
792	P	76.4	Confident	83.4	Confident	39 Å²	39	29.5 Å²	29.5	25%	0.253	16%	0.155	S	C	.	.	H	α-helix	trans	-56.7	-43.4	166.9	-27.5	35	0	0	0	114.8	D788 S789 T795 S796	D788-P792 WeakPolarHBondContact O-CD 3.3Å; S789-P792 WeakPolarHBondContact O-CD 3.31Å; P792-T795 PolarHBondContact O-N 3.3Å; P792-S796 PolarHBondContact O-N 3.34Å; P792-S796 PolarHBondContact O-OG 3.2Å
793	S	83.2	Confident	83.6	Confident	14 Å²	14	29.8 Å²	29.8	10%	0.098	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-47.3	-179.8	-65.8	0	0	0	0	112.4	S789 L790 T795 S796 I797 I848	S789-S793 WeakPolarHBondContact O-CB 3.28Å; S789-S793 PolarHBondContact O-N 2.97Å; S789-S793 PolarHBondContact O-OG 3.27Å; L790-S793 WeakPolarHBondContact O-CA 3.36Å; L790-S793 WeakPolarHBondContact O-CB 3.48Å; L790-S793 PolarHBondContact O-N 3.04Å; S793-T795 VanDerWaalsContact C-N 3.34Å; S793-T795 PolarHBondContact O-N 2.65Å; S793-S796 WeakPolarHBondContact O-CB 3.14Å; S793-S796 PolarHBondContact O-N 2.99Å; S793-S796 VanDerWaalsContact O-N 3.13Å; S793-I797 WeakPolarHBondContact O-CG1 3.2Å; S793-I797 PolarHBondContact O-N 3Å; S793-I797 VanDerWaalsContact O-N 3.09Å; S793-I848 WeakPolarHBondContact CB-O 3.39Å
794	I	90.6	Very high	84	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-46.4	173.1	-65.2	174.1	0	0	0	110.1	L790 S796 I797 L798 L804 V816 I825 I848	L790-I794 WeakPolarHBondContact O-CG1 3.5Å; L790-I794 PolarHBondContact O-N 3.35Å; I794-S796 VanDerWaalsContact C-N 3.26Å; I794-S796 PolarHBondContact O-N 2.85Å; I794-I797 WeakPolarHBondContact O-CB 3.31Å; I794-I797 PolarHBondContact O-N 3.12Å; I794-I797 VanDerWaalsContact O-N 3.15Å; I794-L798 HydrophobicContact CG2-CD1 3.95Å; I794-L798 HydrophobicContact CG2-CG 4.28Å; I794-L798 WeakPolarHBondContact O-CG 3.35Å; I794-L798 PolarHBondContact O-N 3.05Å; I794-L804 HydrophobicContact CD1-CD2 4.21Å; I794-L804 HydrophobicContact CG1-CD2 3.81Å; I794-L804 HydrophobicContact CG2-CD2 4.35Å; I794-V816 HydrophobicContact CG2-CG1 3.87Å; I794-I825 HydrophobicContact CD1-CD1 3.79Å; I794-I825 HydrophobicContact CD1-CG1 3.96Å; I794-I825 HydrophobicContact CD1-CG2 4.18Å; I794-I848 HydrophobicContact CD1-CG2 4.26Å; I794-I848 HydrophobicContact CG1-CG2 3.6Å
795	T	85.5	Confident	84.2	Confident	4 Å²	4	25 Å²	25	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-38.6	177.6	-52.3	0	0	0	0	111.6	Y212 R213 A791 P792 S793 I797 L798 V799	Y212-T795 HydrophobicContact CD2-CG2 4.09Å; Y212-T795 VanDerWaalsContact O-CG2 3.27Å; Y212-T795 WeakPolarHBondContact O-CG2 3.4Å; R213-T795 HydrophobicContact CB-CG2 4.06Å; A791-T795 WeakPolarHBondContact O-CB 3.31Å; A791-T795 PolarHBondContact O-N 2.85Å; A791-T795 PolarHBondContact O-OG1 2.97Å; P792-T795 PolarHBondContact O-N 3.3Å; S793-T795 VanDerWaalsContact C-N 3.34Å; S793-T795 PolarHBondContact O-N 2.65Å; T795-I797 VanDerWaalsContact C-N 3.35Å; T795-I797 PolarHBondContact O-N 3.41Å; T795-L798 PolarHBondContact O-N 2.86Å; T795-V799 HydrophobicContact CG2-CG2 3.96Å; T795-V799 VanDerWaalsContact O-CB 3.29Å; T795-V799 WeakPolarHBondContact O-CB 3.44Å; T795-V799 WeakPolarHBondContact O-CG2 3.25Å; T795-V799 PolarHBondContact O-N 2.81Å
796	S	84.8	Confident	84.8	Confident	31 Å²	31	24 Å²	24	22%	0.217	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-36.7	178.3	-55.8	0	0	0	0	112.5	P792 S793 I794 R800	P792-S796 PolarHBondContact O-N 3.34Å; P792-S796 PolarHBondContact O-OG 3.2Å; S793-S796 WeakPolarHBondContact O-CB 3.14Å; S793-S796 PolarHBondContact O-N 2.99Å; S793-S796 VanDerWaalsContact O-N 3.13Å; I794-S796 VanDerWaalsContact C-N 3.26Å; I794-S796 PolarHBondContact O-N 2.85Å; S796-R800 WeakPolarHBondContact O-CB 3.31Å; S796-R800 VanDerWaalsContact O-CG 3.25Å; S796-R800 WeakPolarHBondContact O-CG 3.3Å; S796-R800 PolarHBondContact O-N 3.02Å
797	I	91.9	Very high	85.4	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-51.8	172.7	-64.8	166.7	0	0	0	110.4	S793 I794 T795 V799 R800 K802 L851 V855 I868	S793-I797 WeakPolarHBondContact O-CG1 3.2Å; S793-I797 PolarHBondContact O-N 3Å; S793-I797 VanDerWaalsContact O-N 3.09Å; I794-I797 WeakPolarHBondContact O-CB 3.31Å; I794-I797 PolarHBondContact O-N 3.12Å; I794-I797 VanDerWaalsContact O-N 3.15Å; T795-I797 VanDerWaalsContact C-N 3.35Å; T795-I797 PolarHBondContact O-N 3.41Å; I797-V799 PolarHBondContact O-N 3.16Å; I797-R800 PolarHBondContact O-N 3.2Å; I797-K802 HydrophobicContact CG2-CB 3.72Å; I797-K802 WeakPolarHBondContact O-CB 3.06Å; I797-K802 PolarHBondContact O-N 3.27Å; I797-L851 HydrophobicContact CD1-CB 3.86Å; I797-V855 HydrophobicContact CG1-CG1 4.03Å; I797-I868 HydrophobicContact CG2-CD1 3.94Å
798	L	90.3	Very high	86.2	Confident	15 Å²	15	22.2 Å²	22.2	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-46.6	-179.2	-67.6	176	0	0	0	112.8	I794 T795 R800 G801 K802 V816 S818 P819	I794-L798 HydrophobicContact CG2-CD1 3.95Å; I794-L798 HydrophobicContact CG2-CG 4.28Å; I794-L798 WeakPolarHBondContact O-CG 3.35Å; I794-L798 PolarHBondContact O-N 3.05Å; T795-L798 PolarHBondContact O-N 2.86Å; L798-R800 VanDerWaalsContact C-N 3.28Å; L798-R800 PolarHBondContact O-N 3.28Å; L798-G801 WeakPolarHBondContact O-CA 3.49Å; L798-G801 PolarHBondContact O-N 3.26Å; L798-K802 WeakPolarHBondContact CA-O 3.49Å; L798-V816 HydrophobicContact CD1-CG1 4.44Å; L798-V816 WeakPolarHBondContact CD2-O 3.33Å; L798-S818 VanDerWaalsContact CD1-C 3.47Å; L798-P819 HydrophobicContact CD1-CB 4.13Å; L798-P819 HydrophobicContact CD1-CG 3.84Å
799	V	85	Confident	87.2	Confident	6 Å²	6	20.5 Å²	20.5	4%	0.036	11%	0.109	C	C	.	.	H	α-helix	trans	-64.3	-33.4	-178.4	167.2	0	0	0	0	112.1	L233 T277 T280 L281 R284 T795 I797 G801	L233-V799 HydrophobicContact CD2-CG2 3.81Å; T277-V799 HydrophobicContact CG2-CG1 4.12Å; T277-V799 HydrophobicContact CG2-CG2 3.63Å; T280-V799 HydrophobicContact CG2-CG1 3.81Å; L281-V799 HydrophobicContact CD2-CG1 3.96Å; L281-V799 HydrophobicContact CG-CG1 3.99Å; R284-V799 PolarHBondContact NH2-O 3.45Å; T795-V799 HydrophobicContact CG2-CG2 3.96Å; T795-V799 VanDerWaalsContact O-CB 3.29Å; T795-V799 WeakPolarHBondContact O-CB 3.44Å; T795-V799 WeakPolarHBondContact O-CG2 3.25Å; T795-V799 PolarHBondContact O-N 2.81Å; I797-V799 PolarHBondContact O-N 3.16Å; V799-G801 PolarHBondContact O-N 2.79Å; V799-G801 VanDerWaalsContact O-N 3.13Å
800	R	87.2	Confident	88	Confident	86 Å²	86	21.6 Å²	21.6	33%	0.325	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	4.2	171.6	-75.8	-76.1	-155.7	-168.2	7.8	113.9	T280 S796 I797 L798 K802 V855 M856	T280-R800 HydrophobicContact CG2-CG 3.94Å; S796-R800 WeakPolarHBondContact O-CB 3.31Å; S796-R800 VanDerWaalsContact O-CG 3.25Å; S796-R800 WeakPolarHBondContact O-CG 3.3Å; S796-R800 PolarHBondContact O-N 3.02Å; I797-R800 PolarHBondContact O-N 3.2Å; L798-R800 VanDerWaalsContact C-N 3.28Å; L798-R800 PolarHBondContact O-N 3.28Å; R800-K802 HydrophobicContact CB-CG 4.38Å; R800-V855 HydrophobicContact CB-CG2 3.81Å; R800-V855 HydrophobicContact CG-CG1 4.31Å; R800-V855 HydrophobicContact CG-CG2 3.86Å; R800-V855 PolarHBondContact NE-O 2.7Å; R800-V855 PolarHBondContact NH2-O 3.41Å; R800-M856 HydrophobicContact CG-SD 4.31Å; R800-M856 PolarHBondContact NH2-O 3.3Å
801	G	86.3	Confident	88.4	Confident	10 Å²	10	26 Å²	26	10%	0.103	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	30.2	178.5	0	0	0	0	0	112.9	L798 V799 L866	L798-G801 WeakPolarHBondContact O-CA 3.49Å; L798-G801 PolarHBondContact O-N 3.26Å; V799-G801 PolarHBondContact O-N 2.79Å; V799-G801 VanDerWaalsContact O-N 3.13Å; G801-L866 WeakPolarHBondContact O-CD1 3.44Å
802	K	91	Very high	88.8	Confident	40 Å²	40	31.1 Å²	31.1	17%	0.174	17%	0.171	C	C	.	.			trans	-112.7	141.8	176.5	-49.3	-60.3	-176.9	173.4	0	109.3	I797 L798 R800 V855 F862 I865 L866	I797-K802 HydrophobicContact CG2-CB 3.72Å; I797-K802 WeakPolarHBondContact O-CB 3.06Å; I797-K802 PolarHBondContact O-N 3.27Å; L798-K802 WeakPolarHBondContact CA-O 3.49Å; R800-K802 HydrophobicContact CB-CG 4.38Å; K802-V855 HydrophobicContact CG-CG2 4.38Å; K802-F862 PolarHBondContact NZ-O 3.04Å; K802-I865 VanDerWaalsContact CD-O 3.32Å; K802-I865 WeakPolarHBondContact CD-O 3.29Å; K802-I865 WeakPolarHBondContact CE-O 3.34Å; K802-I865 PolarHBondContact NZ-O 3.4Å; K802-L866 CarbonylContact C-O 3.56Å; K802-L866 WeakPolarHBondContact CA-O 3.47Å
803	R	91.2	Very high	89.5	Confident	39 Å²	39	31.4 Å²	31.4	15%	0.147	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	160.2	167.4	-82	-167.6	175.8	168.1	-23.6	110.6	T815 D817 L866 K867 I868 L976 E980	R803-T815 HydrophobicContact CB-CG2 4.48Å; R803-T815 HydrophobicContact CG-CG2 4.48Å; R803-D817 HydrophobicContact CG-CB 4.08Å; R803-D817 IonicContact CZ-OD2 2.79Å; R803-D817 IonicContact NE-OD2 2.88Å; R803-D817 IonicContact NH2-OD2 3.54Å; R803-D817 PolarHBondContact NH2-OD2 2.97Å; R803-L866 PolarHBondContact N-O 2.83Å; R803-K867 HydrophobicContact CB-CB 4.18Å; R803-K867 HydrophobicContact CB-CG 3.93Å; R803-K867 WeakPolarHBondContact O-CA 3.45Å; R803-I868 PolarHBondContact O-N 3.47Å; R803-L976 HydrophobicContact CB-CD2 4.35Å; R803-L976 HydrophobicContact CG-CD2 3.7Å; R803-E980 IonicContact CZ-OE2 2.61Å; R803-E980 IonicContact NH1-OE1 3.97Å; R803-E980 IonicContact NH1-OE2 2.74Å; R803-E980 PolarHBondContact NH1-OE2 3.2Å
804	L	93.7	Very high	90	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.4	175.2	-176.5	71.4	0	0	0	109.1	I794 I806 T815 V816 I848 I868 I870	I794-L804 HydrophobicContact CD1-CD2 4.21Å; I794-L804 HydrophobicContact CG1-CD2 3.81Å; I794-L804 HydrophobicContact CG2-CD2 4.35Å; L804-I806 HydrophobicContact CD2-CD1 4.38Å; L804-I806 HydrophobicContact CD2-CG1 4.48Å; L804-T815 CarbonylContact O-C 3.53Å; L804-V816 HydrophobicContact CB-CB 4.42Å; L804-V816 PolarHBondContact N-O 3.05Å; L804-V816 PolarHBondContact O-N 3.09Å; L804-I848 HydrophobicContact CD1-CG1 4.39Å; L804-I848 HydrophobicContact CD2-CD1 4.08Å; L804-I848 HydrophobicContact CD2-CG1 4.07Å; L804-I868 CarbonylContact C-O 3.58Å; L804-I868 WeakPolarHBondContact CA-O 3.38Å; L804-I868 HydrophobicContact CD1-CB 4.33Å; L804-I868 HydrophobicContact CD1-CG2 4.48Å; L804-I870 HydrophobicContact CD1-CD1 3.89Å; L804-I870 HydrophobicContact CD1-CG1 3.69Å; L804-I870 HydrophobicContact CG-CG1 4.47Å
805	T	93.9	Very high	90	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148	160.6	77.8	0	0	0	0	111.1	E813 V814 K867 I868 R869 I870	T805-E813 WeakPolarHBondContact CB-OE2 3.15Å; T805-E813 PolarHBondContact OG1-OE2 2.78Å; T805-V814 VanDerWaalsContact CA-O 3.26Å; T805-V814 WeakPolarHBondContact CA-O 3.35Å; T805-K867 HydrophobicContact CG2-CD 4.24Å; T805-K867 HydrophobicContact CG2-CG 4.09Å; T805-I868 PolarHBondContact N-O 3.22Å; T805-R869 HydrophobicContact CG2-CG 4.12Å; T805-R869 WeakPolarHBondContact OG1-CA 3.46Å; T805-R869 WeakPolarHBondContact OG1-CB 2.96Å; T805-I870 VanDerWaalsContact O-CB 3.31Å; T805-I870 WeakPolarHBondContact O-CB 3.42Å; T805-I870 WeakPolarHBondContact O-CG1 3.44Å; T805-I870 PolarHBondContact O-N 3.5Å; T805-I870 VanDerWaalsContact O-N 3.15Å
806	I	94.3	Very high	90.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.5	172.9	-70.3	167.4	0	0	0	107	L804 E813 V814 V816 L828 L829 L832 I848	L804-I806 HydrophobicContact CD2-CD1 4.38Å; L804-I806 HydrophobicContact CD2-CG1 4.48Å; I806-E813 CarbonylContact O-C 3.51Å; I806-E813 VanDerWaalsContact O-CA 3.28Å; I806-E813 WeakPolarHBondContact O-CA 2.93Å; I806-V814 PolarHBondContact N-O 2.92Å; I806-V814 PolarHBondContact O-N 2.67Å; I806-V816 HydrophobicContact CD1-CG2 4.34Å; I806-L828 HydrophobicContact CB-CD2 4.13Å; I806-L828 HydrophobicContact CD1-CD2 4.06Å; I806-L829 HydrophobicContact CD1-CD2 4.21Å; I806-L829 HydrophobicContact CD1-CG 4.44Å; I806-L829 HydrophobicContact CG2-CD2 3.8Å; I806-L829 HydrophobicContact CG2-CG 4.37Å; I806-L832 HydrophobicContact CG2-CD1 4.34Å; I806-L832 VanDerWaalsContact O-CD1 3.27Å; I806-L832 WeakPolarHBondContact O-CD1 3.24Å; I806-I848 HydrophobicContact CD1-CD1 3.88Å; I806-I848 HydrophobicContact CG1-CD1 4.11Å
807	G	92.3	Very high	90	Very high	4 Å²	4	37.5 Å²	37.5	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	170.8	-170.5	0	0	0	0	0	111.1	G871	G807-G871 WeakPolarHBondContact O-CA 3.43Å; G807-G871 PolarHBondContact O-N 3.39Å
808	V	91.8	Very high	89.5	Confident	20 Å²	20	40.1 Å²	40.1	12%	0.121	22%	0.22	C	C	.	.			trans	-100.3	147.2	-178.8	-176.5	0	0	0	0	110	G810 H811 C833 D837 A840	V808-G810 PolarHBondContact O-N 3.2Å; V808-H811 HydrophobicContact CB-CB 4.25Å; V808-H811 PolarHBondContact O-N 3.4Å; V808-H811 VanDerWaalsContact O-N 3.08Å; V808-C833 HydrophobicContact CG2-CB 4.13Å; V808-D837 HydrophobicContact CG1-CB 4.23Å; V808-D837 HydrophobicContact CG2-CB 4.47Å; V808-A840 HydrophobicContact CG2-CB 4.23Å
809	F	89.8	Confident	89	Confident	69 Å²	69	40.3 Å²	40.3	30%	0.303	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	133.3	178.4	-180	-103.6	0	0	0	111.5	H811 W872 H875	F809-H811 PolarHBondContact O-CD2 3.06Å; F809-H811 PolarHBondContact O-N 3.4Å; F809-W872 HydrophobicContact CD2-CB 4.48Å; F809-W872 AromaticContact CD2-CD2 3.86Å; F809-W872 HydrophobicContact CD2-CD2 3.86Å; F809-W872 HydrophobicContact CD2-CE3 4.26Å; F809-W872 AromaticContact CD2-CG 3.96Å; F809-W872 HydrophobicContact CD2-CG 3.96Å; F809-W872 AromaticContact CE2-CD2 3.81Å; F809-W872 HydrophobicContact CE2-CD2 3.81Å; F809-W872 AromaticContact CE2-CE3 3.76Å; F809-W872 HydrophobicContact CE2-CE3 3.76Å; F809-W872 HydrophobicContact CE2-CG 4.36Å; F809-W872 HydrophobicContact CE2-CH2 4.36Å; F809-W872 HydrophobicContact CE2-CZ2 4.38Å; F809-W872 HydrophobicContact CE2-CZ3 4.06Å; F809-H875 HydrophobicContact CB-CB 4.16Å; F809-H875 HydrophobicContact CD1-CB 4.22Å; F809-H875 AromaticContact CD1-CG 3.93Å; F809-H875 AromaticContact CD1-ND1 3.98Å; F809-H875 HydrophobicContact CD2-CB 3.83Å; F809-H875 AromaticContact CD2-CG 3.96Å; F809-H875 AromaticContact CE1-CD2 3.93Å; F809-H875 AromaticContact CE1-CE1 3.86Å; F809-H875 AromaticContact CE1-CG 3.91Å; F809-H875 AromaticContact CE1-ND1 3.88Å; F809-H875 AromaticContact CE1-NE2 3.9Å; F809-H875 HydrophobicContact CE2-CB 4.28Å; F809-H875 AromaticContact CE2-CD2 3.57Å; F809-H875 AromaticContact CE2-CG 3.94Å; F809-H875 HydrophobicContact CG-CB 3.79Å; F809-H875 AromaticContact CG-CG 3.95Å; F809-H875 AromaticContact CZ-CD2 3.5Å; F809-H875 AromaticContact CZ-CG 3.92Å; F809-H875 AromaticContact CZ-NE2 3.62Å
810	G	86.4	Confident	88.8	Confident	67 Å²	67	41.7 Å²	41.7	69%	0.691	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	-3.8	-175.8	0	0	0	0	0	115.5	V808	V808-G810 PolarHBondContact O-N 3.2Å
811	H	90.7	Very high	88.3	Confident	93 Å²	93	38.8 Å²	38.8	43%	0.431	22%	0.222	S	C	.	.	S	Bend	trans	-114.7	-176.4	179.6	-67.8	-83.3	0	0	0	111.8	V808 F809 Y836	V808-H811 HydrophobicContact CB-CB 4.25Å; V808-H811 PolarHBondContact O-N 3.4Å; V808-H811 VanDerWaalsContact O-N 3.08Å; F809-H811 PolarHBondContact O-CD2 3.06Å; F809-H811 PolarHBondContact O-N 3.4Å; H811-Y836 HydrophobicContact CB-CD2 3.94Å; H811-Y836 HydrophobicContact CB-CE2 4.01Å; H811-Y836 HydrophobicContact CB-CG 4.42Å; H811-Y836 AromaticContact CE1-CD1 3.38Å; H811-Y836 WeakPolarHBondContact CE1-CD1 3.5Å; H811-Y836 AromaticContact CE1-CE1 3.74Å; H811-Y836 AromaticContact CE1-CG 3.79Å; H811-Y836 AromaticContact CG-CD2 3.81Å; H811-Y836 AromaticContact CG-CG 3.79Å; H811-Y836 AromaticContact ND1-CD1 3.39Å; H811-Y836 WeakPolarHBondContact ND1-CD1 3.38Å; H811-Y836 AromaticContact ND1-CD2 3.87Å; H811-Y836 AromaticContact ND1-CE1 3.42Å; H811-Y836 WeakPolarHBondContact ND1-CE1 3.41Å; H811-Y836 AromaticContact ND1-CE2 3.9Å; H811-Y836 AromaticContact ND1-CG 3.62Å; H811-Y836 AromaticContact ND1-CZ 3.68Å
812	E	89.1	Confident	88	Confident	113 Å²	113	40.6 Å²	40.6	53%	0.528	23%	0.232	S	C	.	.			trans	-61.4	142.8	173.5	54.4	-177.7	-141.4	0	0	112.4	L832 Y836	E812-L832 HydrophobicContact CG-CD2 4.25Å; E812-Y836 HydrophobicContact CG-CE2 4.28Å
813	E	90.9	Very high	87.5	Confident	45 Å²	45	43.9 Å²	43.9	21%	0.21	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.5	174.4	60.6	167.6	-163	0	0	110	T805 I806 R869	T805-E813 WeakPolarHBondContact CB-OE2 3.15Å; T805-E813 PolarHBondContact OG1-OE2 2.78Å; I806-E813 CarbonylContact O-C 3.51Å; I806-E813 VanDerWaalsContact O-CA 3.28Å; I806-E813 WeakPolarHBondContact O-CA 2.93Å; E813-R869 VanDerWaalsContact CD-NE 3.34Å; E813-R869 IonicContact OE1-CZ 3.46Å; E813-R869 IonicContact OE1-NE 3.97Å; E813-R869 PolarHBondContact OE1-NE 3.3Å; E813-R869 IonicContact OE1-NH2 3.8Å; E813-R869 PolarHBondContact OE1-NH2 2.83Å; E813-R869 IonicContact OE2-CZ 3.24Å; E813-R869 IonicContact OE2-NE 2.8Å; E813-R869 PolarHBondContact OE2-NE 2.87Å; E813-R869 VanDerWaalsContact OE2-NE 3.11Å; E813-R869 IonicContact OE2-NH2 2.75Å
814	V	93.1	Very high	87.3	Confident	62 Å²	62	46.9 Å²	46.9	38%	0.376	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.7	172.4	175.9	0	0	0	0	109.2	T805 I806 L828 L832	T805-V814 VanDerWaalsContact CA-O 3.26Å; T805-V814 WeakPolarHBondContact CA-O 3.35Å; I806-V814 PolarHBondContact N-O 2.92Å; I806-V814 PolarHBondContact O-N 2.67Å; V814-L828 HydrophobicContact CB-CD1 3.82Å; V814-L828 HydrophobicContact CB-CD2 4.4Å; V814-L828 HydrophobicContact CB-CG 4.47Å; V814-L828 HydrophobicContact CG1-CD1 3.84Å; V814-L828 HydrophobicContact CG1-CD2 4.37Å; V814-L828 HydrophobicContact CG2-CD1 4.02Å; V814-L832 HydrophobicContact CB-CD1 3.82Å; V814-L832 HydrophobicContact CG2-CD1 3.64Å; V814-L832 HydrophobicContact CG2-CD2 4.15Å
815	T	91.1	Very high	87.1	Confident	41 Å²	41	47 Å²	47	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.8	176.5	-61.7	0	0	0	0	109.9	R803 L804 D817 K867	R803-T815 HydrophobicContact CB-CG2 4.48Å; R803-T815 HydrophobicContact CG-CG2 4.48Å; L804-T815 CarbonylContact O-C 3.53Å; T815-D817 HydrophobicContact CG2-CB 4.42Å; T815-K867 WeakPolarHBondContact OG1-CE 3.39Å; T815-K867 PolarHBondContact OG1-NZ 2.93Å
816	V	90.3	Very high	86.8	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	107.3	167.7	-178.2	0	0	0	0	107.4	I794 L798 L804 I806 S818 V820 L828	I794-V816 HydrophobicContact CG2-CG1 3.87Å; L798-V816 HydrophobicContact CD1-CG1 4.44Å; L798-V816 WeakPolarHBondContact CD2-O 3.33Å; L804-V816 HydrophobicContact CB-CB 4.42Å; L804-V816 PolarHBondContact N-O 3.05Å; L804-V816 PolarHBondContact O-N 3.09Å; I806-V816 HydrophobicContact CD1-CG2 4.34Å; V816-S818 WeakPolarHBondContact CG1-O 3.39Å; V816-V820 HydrophobicContact CG1-CG2 3.89Å; V816-L828 HydrophobicContact CG2-CD2 3.69Å
817	D	80.7	Confident	86.7	Confident	69 Å²	69	53.3 Å²	53.3	37%	0.369	30%	0.3	S	S	.	.			trans	-111.9	-11.3	178.4	75.5	-12.9	0	0	0	114.3	R803 T815	R803-D817 HydrophobicContact CG-CB 4.08Å; R803-D817 IonicContact CZ-OD2 2.79Å; R803-D817 IonicContact NE-OD2 2.88Å; R803-D817 IonicContact NH2-OD2 3.54Å; R803-D817 PolarHBondContact NH2-OD2 2.97Å; T815-D817 HydrophobicContact CG2-CB 4.42Å
818	S	79.7	Confident	86.6	Confident	54 Å²	54	54.7 Å²	54.7	38%	0.378	31%	0.306	S	S	.	.	S	Bend	trans	-134.7	151.3	-176.4	43.6	0	0	0	0	109.8	L798 V816 V820	L798-S818 VanDerWaalsContact CD1-C 3.47Å; V816-S818 WeakPolarHBondContact CG1-O 3.39Å; S818-V820 PolarHBondContact O-N 2.94Å
819	P	80	Confident	86.6	Confident	20 Å²	20	53.8 Å²	53.8	13%	0.13	30%	0.301	C	S	.	.			trans	-79.3	106.8	-168.8	-15.8	32.7	0	0	0	113.2	R213 L798	R213-P819 HydrophobicContact CB-CB 3.65Å; R213-P819 HydrophobicContact CB-CG 4.32Å; L798-P819 HydrophobicContact CD1-CB 4.13Å; L798-P819 HydrophobicContact CD1-CG 3.84Å
820	V	81.1	Confident	86.7	Confident	35 Å²	35	50.8 Å²	50.8	21%	0.212	29%	0.287	C	S	.	.			trans	-77.8	162	-178.1	-90.5	0	0	0	0	115.3	R213 V816 S818 E824 I825	R213-V820 PolarHBondContact NH1-O 3.24Å; V816-V820 HydrophobicContact CG1-CG2 3.89Å; S818-V820 PolarHBondContact O-N 2.94Å; V820-E824 HydrophobicContact CB-CB 4.09Å; V820-E824 HydrophobicContact CG1-CB 4.06Å; V820-I825 HydrophobicContact CB-CG1 4.11Å; V820-I825 HydrophobicContact CG2-CD1 3.97Å; V820-I825 HydrophobicContact CG2-CG1 3.47Å; V820-I825 VanDerWaalsContact CG2-CG1 3.47Å
821	T	78	Confident	87	Confident	25 Å²	25	54 Å²	54	15%	0.153	29%	0.285	C	S	.	.			trans	-71.7	159	169.9	70.1	0	0	0	0	112.2	N823 E824 I825	T821-N823 VanDerWaalsContact C-N 3.28Å; T821-N823 PolarHBondContact O-N 3.4Å; T821-E824 WeakPolarHBondContact CA-OE2 3.27Å; T821-E824 WeakPolarHBondContact CB-OE2 3.42Å; T821-E824 VanDerWaalsContact CG2-OE2 3.24Å; T821-E824 WeakPolarHBondContact CG2-OE2 3.19Å; T821-E824 PolarHBondContact N-OE2 2.81Å; T821-E824 PolarHBondContact O-N 3.1Å; T821-E824 VanDerWaalsContact OG1-CG 3.28Å; T821-E824 WeakPolarHBondContact OG1-CG 3.43Å; T821-E824 PolarHBondContact OG1-N 3.14Å; T821-E824 PolarHBondContact OG1-OE2 3.33Å; T821-I825 WeakPolarHBondContact O-CD1 2.97Å; T821-I825 VanDerWaalsContact O-CG1 3.29Å; T821-I825 WeakPolarHBondContact O-CG1 3.3Å; T821-I825 PolarHBondContact O-N 3.04Å; T821-I825 VanDerWaalsContact O-N 3.1Å
822	P	79.2	Confident	87.1	Confident	47 Å²	47	50 Å²	50	31%	0.305	27%	0.266	S	S	.	.	H	α-helix	trans	-59	-38.6	178.5	-23.8	35.6	0	0	0	113.2	I825 E826	P822-I825 WeakPolarHBondContact O-CB 3.26Å; P822-I825 PolarHBondContact O-N 2.61Å; P822-E826 PolarHBondContact O-N 2.73Å
823	N	81.2	Confident	87.1	Confident	109 Å²	109	44.6 Å²	44.6	58%	0.583	24%	0.241	S	C	*	.	H	α-helix	trans	-66	-45.4	179.3	-57.6	49.5	0	0	0	111.4	T821 I825 E826 D827	T821-N823 VanDerWaalsContact C-N 3.28Å; T821-N823 PolarHBondContact O-N 3.4Å; N823-I825 PolarHBondContact O-N 3.46Å; N823-E826 WeakPolarHBondContact O-CB 3.39Å; N823-E826 PolarHBondContact O-N 3.36Å; N823-E826 VanDerWaalsContact O-N 3.12Å; N823-D827 PolarHBondContact O-N 2.98Å
824	E	86.9	Confident	86.9	Confident	102 Å²	102	45.4 Å²	45.4	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-34.4	174.3	-69.6	159.3	145	0	0	111.5	V820 T821 L828	V820-E824 HydrophobicContact CB-CB 4.09Å; V820-E824 HydrophobicContact CG1-CB 4.06Å; T821-E824 WeakPolarHBondContact CA-OE2 3.27Å; T821-E824 WeakPolarHBondContact CB-OE2 3.42Å; T821-E824 VanDerWaalsContact CG2-OE2 3.24Å; T821-E824 WeakPolarHBondContact CG2-OE2 3.19Å; T821-E824 PolarHBondContact N-OE2 2.81Å; T821-E824 PolarHBondContact O-N 3.1Å; T821-E824 VanDerWaalsContact OG1-CG 3.28Å; T821-E824 WeakPolarHBondContact OG1-CG 3.43Å; T821-E824 PolarHBondContact OG1-N 3.14Å; T821-E824 PolarHBondContact OG1-OE2 3.33Å; E824-L828 WeakPolarHBondContact O-CB 3.44Å; E824-L828 PolarHBondContact O-N 2.78Å
825	I	88.1	Confident	86.6	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-40	174.2	-64.7	157.6	0	0	0	111.3	L790 A791 I794 V820 T821 P822 N823 L829	L790-I825 HydrophobicContact CB-CG2 4.31Å; L790-I825 HydrophobicContact CD1-CG2 4.08Å; A791-I825 HydrophobicContact CB-CD1 3.72Å; I794-I825 HydrophobicContact CD1-CD1 3.79Å; I794-I825 HydrophobicContact CD1-CG1 3.96Å; I794-I825 HydrophobicContact CD1-CG2 4.18Å; V820-I825 HydrophobicContact CB-CG1 4.11Å; V820-I825 HydrophobicContact CG2-CD1 3.97Å; V820-I825 HydrophobicContact CG2-CG1 3.47Å; V820-I825 VanDerWaalsContact CG2-CG1 3.47Å; T821-I825 WeakPolarHBondContact O-CD1 2.97Å; T821-I825 VanDerWaalsContact O-CG1 3.29Å; T821-I825 WeakPolarHBondContact O-CG1 3.3Å; T821-I825 PolarHBondContact O-N 3.04Å; T821-I825 VanDerWaalsContact O-N 3.1Å; P822-I825 WeakPolarHBondContact O-CB 3.26Å; P822-I825 PolarHBondContact O-N 2.61Å; N823-I825 PolarHBondContact O-N 3.46Å; I825-L829 HydrophobicContact CG2-CD1 3.75Å; I825-L829 HydrophobicContact CG2-CG 4.35Å; I825-L829 VanDerWaalsContact O-CB 3.3Å; I825-L829 WeakPolarHBondContact O-CB 3.49Å; I825-L829 WeakPolarHBondContact O-CD1 3.35Å; I825-L829 VanDerWaalsContact O-CG 3.24Å; I825-L829 WeakPolarHBondContact O-CG 3.39Å; I825-L829 PolarHBondContact O-N 2.71Å
826	E	88.7	Confident	86.5	Confident	56 Å²	56	49.7 Å²	49.7	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-50.9	174.2	179.9	179.9	154.4	0	0	111.8	R784 V786 P822 N823 L829 F830	R784-E826 IonicContact CZ-OE1 2.7Å; R784-E826 IonicContact NE-OE1 2.83Å; R784-E826 IonicContact NH1-OE1 2.79Å; R784-E826 PolarHBondContact NH1-OE1 3.17Å; R784-E826 PolarHBondContact NH2-O 3.06Å; R784-E826 IonicContact NH2-OE1 2.72Å; V786-E826 HydrophobicContact CG2-CB 3.76Å; V786-E826 HydrophobicContact CG2-CG 3.57Å; P822-E826 PolarHBondContact O-N 2.73Å; N823-E826 WeakPolarHBondContact O-CB 3.39Å; N823-E826 PolarHBondContact O-N 3.36Å; N823-E826 VanDerWaalsContact O-N 3.12Å; E826-L829 PolarHBondContact O-N 2.98Å; E826-F830 HydrophobicContact CG-CD2 3.84Å; E826-F830 HydrophobicContact CG-CE2 4.08Å; E826-F830 WeakPolarHBondContact O-CD2 3.27Å; E826-F830 PolarHBondContact O-N 2.84Å; E826-F830 VanDerWaalsContact O-N 3.09Å
827	D	91.1	Very high	86.4	Confident	78 Å²	78	51 Å²	51	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-65	-43	-179.7	-71.4	-36	0	0	0	110.8	R784 N823 L829 F830 Q831	R784-D827 IonicContact CZ-OD1 3.93Å; R784-D827 IonicContact NH1-OD1 3.11Å; R784-D827 PolarHBondContact NH1-OD1 2.9Å; R784-D827 IonicContact NH2-OD1 3.94Å; R784-D827 PolarHBondContact NH2-OD1 3.04Å; N823-D827 PolarHBondContact O-N 2.98Å; D827-L829 PolarHBondContact O-N 2.91Å; D827-F830 PolarHBondContact O-N 3.01Å; D827-Q831 WeakPolarHBondContact O-CB 3.43Å; D827-Q831 PolarHBondContact O-N 3.47Å
828	L	91.7	Very high	86.6	Confident	34 Å²	34	49.1 Å²	49.1	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-44.8	176.2	-161.2	77.2	0	0	0	113.2	I806 V814 V816 E824 L832	I806-L828 HydrophobicContact CB-CD2 4.13Å; I806-L828 HydrophobicContact CD1-CD2 4.06Å; V814-L828 HydrophobicContact CB-CD1 3.82Å; V814-L828 HydrophobicContact CB-CD2 4.4Å; V814-L828 HydrophobicContact CB-CG 4.47Å; V814-L828 HydrophobicContact CG1-CD1 3.84Å; V814-L828 HydrophobicContact CG1-CD2 4.37Å; V814-L828 HydrophobicContact CG2-CD1 4.02Å; V816-L828 HydrophobicContact CG2-CD2 3.69Å; E824-L828 WeakPolarHBondContact O-CB 3.44Å; E824-L828 PolarHBondContact O-N 2.78Å; L828-L832 HydrophobicContact CD1-CD1 3.89Å; L828-L832 HydrophobicContact CG-CD1 3.84Å; L828-L832 WeakPolarHBondContact O-CB 3.24Å; L828-L832 WeakPolarHBondContact O-CG 3.06Å; L828-L832 PolarHBondContact O-N 3.3Å
829	L	91.8	Very high	87	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-47.6	179.5	-80.4	165.8	0	0	0	111.9	L790 I806 I825 E826 D827 C833 A844 Q845	L790-L829 HydrophobicContact CD1-CD1 4.08Å; I806-L829 HydrophobicContact CD1-CD2 4.21Å; I806-L829 HydrophobicContact CD1-CG 4.44Å; I806-L829 HydrophobicContact CG2-CD2 3.8Å; I806-L829 HydrophobicContact CG2-CG 4.37Å; I825-L829 HydrophobicContact CG2-CD1 3.75Å; I825-L829 HydrophobicContact CG2-CG 4.35Å; I825-L829 VanDerWaalsContact O-CB 3.3Å; I825-L829 WeakPolarHBondContact O-CB 3.49Å; I825-L829 WeakPolarHBondContact O-CD1 3.35Å; I825-L829 VanDerWaalsContact O-CG 3.24Å; I825-L829 WeakPolarHBondContact O-CG 3.39Å; I825-L829 PolarHBondContact O-N 2.71Å; E826-L829 PolarHBondContact O-N 2.98Å; D827-L829 PolarHBondContact O-N 2.91Å; L829-C833 VanDerWaalsContact O-CB 3.27Å; L829-C833 WeakPolarHBondContact O-CB 3.19Å; L829-C833 PolarHBondContact O-N 3.23Å; L829-A844 HydrophobicContact CD2-CB 3.79Å; L829-Q845 HydrophobicContact CD1-CG 3.63Å; L829-Q845 HydrophobicContact CD2-CG 4.47Å
830	F	91.8	Very high	87.5	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-83.4	-31	-175.3	-66.5	-62.8	0	0	0	113	R784 V786 E826 D827 L834 A841	R784-F830 VanDerWaalsContact CA-CE2 3.48Å; R784-F830 VanDerWaalsContact CA-CZ 3.49Å; R784-F830 HydrophobicContact CB-CD2 3.86Å; R784-F830 HydrophobicContact CB-CE2 3.73Å; R784-F830 HydrophobicContact CB-CG 4.45Å; R784-F830 HydrophobicContact CB-CZ 4.23Å; R784-F830 HydrophobicContact CG-CD2 3.99Å; R784-F830 HydrophobicContact CG-CE2 4.3Å; R784-F830 HydrophobicContact CG-CG 4.13Å; V786-F830 HydrophobicContact CG2-CE2 3.77Å; E826-F830 HydrophobicContact CG-CD2 3.84Å; E826-F830 HydrophobicContact CG-CE2 4.08Å; E826-F830 WeakPolarHBondContact O-CD2 3.27Å; E826-F830 PolarHBondContact O-N 2.84Å; E826-F830 VanDerWaalsContact O-N 3.09Å; D827-F830 PolarHBondContact O-N 3.01Å; F830-L834 HydrophobicContact CD1-CD1 4.46Å; F830-L834 WeakPolarHBondContact O-CB 3.46Å; F830-L834 PolarHBondContact O-N 2.89Å; F830-L834 VanDerWaalsContact O-N 3.13Å; F830-A841 HydrophobicContact CD1-CB 3.56Å; F830-A841 HydrophobicContact CE1-CB 3.43Å; F830-A841 VanDerWaalsContact CE1-CB 3.43Å; F830-A841 HydrophobicContact CZ-CB 4.39Å
831	Q	92.4	Very high	87.9	Confident	136 Å²	136	44.2 Å²	44.2	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-64.4	-42.4	174.6	-177	175.6	-13.2	0	0	111.8	D827 P835	D827-Q831 WeakPolarHBondContact O-CB 3.43Å; D827-Q831 PolarHBondContact O-N 3.47Å; Q831-P835 WeakPolarHBondContact O-CD 3.36Å; Q831-P835 VanDerWaalsContact O-CG 3.29Å; Q831-P835 WeakPolarHBondContact O-CG 3.43Å
832	L	91.6	Very high	88.5	Confident	7 Å²	7	43 Å²	43	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-85.6	-32.4	-175	-61	173.7	0	0	0	113.7	I806 E812 V814 L828 Y836	I806-L832 HydrophobicContact CG2-CD1 4.34Å; I806-L832 VanDerWaalsContact O-CD1 3.27Å; I806-L832 WeakPolarHBondContact O-CD1 3.24Å; E812-L832 HydrophobicContact CG-CD2 4.25Å; V814-L832 HydrophobicContact CB-CD1 3.82Å; V814-L832 HydrophobicContact CG2-CD1 3.64Å; V814-L832 HydrophobicContact CG2-CD2 4.15Å; L828-L832 HydrophobicContact CD1-CD1 3.89Å; L828-L832 HydrophobicContact CG-CD1 3.84Å; L828-L832 WeakPolarHBondContact O-CB 3.24Å; L828-L832 WeakPolarHBondContact O-CG 3.06Å; L828-L832 PolarHBondContact O-N 3.3Å; L832-Y836 WeakPolarHBondContact O-CD2 3.44Å
833	C	90.3	Very high	89	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-95.9	-36.2	-176.4	-65.4	0	0	0	0	114.1	V808 L829 P835 Y836 D837 A840 A841	V808-C833 HydrophobicContact CG2-CB 4.13Å; L829-C833 VanDerWaalsContact O-CB 3.27Å; L829-C833 WeakPolarHBondContact O-CB 3.19Å; L829-C833 PolarHBondContact O-N 3.23Å; C833-P835 VanDerWaalsContact C-CD 3.43Å; C833-Y836 PolarHBondContact O-N 3.05Å; C833-D837 CarbonylContact O-C 3.59Å; C833-D837 PolarHBondContact O-N 3.45Å; C833-A840 HydrophobicContact CB-CB 4.18Å; C833-A841 HydrophobicContact CB-CB 3.72Å
834	L	86.2	Confident	89.5	Confident	62 Å²	62	35.6 Å²	35.6	33%	0.325	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.6	-174.9	-157.1	83.9	0	0	0	114.7	A781 F830 Y836 P838	A781-L834 HydrophobicContact CB-CD1 4.45Å; F830-L834 HydrophobicContact CD1-CD1 4.46Å; F830-L834 WeakPolarHBondContact O-CB 3.46Å; F830-L834 PolarHBondContact O-N 2.89Å; F830-L834 VanDerWaalsContact O-N 3.13Å; L834-Y836 VanDerWaalsContact C-N 3.31Å; L834-Y836 PolarHBondContact O-N 2.94Å; L834-P838 HydrophobicContact CD1-CB 3.86Å; L834-P838 HydrophobicContact CD1-CG 4.26Å
835	P	87.7	Confident	89.7	Confident	88 Å²	88	30.8 Å²	30.8	57%	0.571	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.2	176.2	-22.5	35	0	0	0	115.1	Q831 C833	Q831-P835 WeakPolarHBondContact O-CD 3.36Å; Q831-P835 VanDerWaalsContact O-CG 3.29Å; Q831-P835 WeakPolarHBondContact O-CG 3.43Å; C833-P835 VanDerWaalsContact C-CD 3.43Å
836	Y	88.3	Confident	89.7	Confident	104 Å²	104	31.1 Å²	31.1	41%	0.408	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-45.5	-168.8	-51.5	-60.2	0	0	0	113.4	H811 E812 L832 C833 L834	H811-Y836 HydrophobicContact CB-CD2 3.94Å; H811-Y836 HydrophobicContact CB-CE2 4.01Å; H811-Y836 HydrophobicContact CB-CG 4.42Å; H811-Y836 AromaticContact CE1-CD1 3.38Å; H811-Y836 WeakPolarHBondContact CE1-CD1 3.5Å; H811-Y836 AromaticContact CE1-CE1 3.74Å; H811-Y836 AromaticContact CE1-CG 3.79Å; H811-Y836 AromaticContact CG-CD2 3.81Å; H811-Y836 AromaticContact CG-CG 3.79Å; H811-Y836 AromaticContact ND1-CD1 3.39Å; H811-Y836 WeakPolarHBondContact ND1-CD1 3.38Å; H811-Y836 AromaticContact ND1-CD2 3.87Å; H811-Y836 AromaticContact ND1-CE1 3.42Å; H811-Y836 WeakPolarHBondContact ND1-CE1 3.41Å; H811-Y836 AromaticContact ND1-CE2 3.9Å; H811-Y836 AromaticContact ND1-CG 3.62Å; H811-Y836 AromaticContact ND1-CZ 3.68Å; E812-Y836 HydrophobicContact CG-CE2 4.28Å; L832-Y836 WeakPolarHBondContact O-CD2 3.44Å; C833-Y836 PolarHBondContact O-N 3.05Å; L834-Y836 VanDerWaalsContact C-N 3.31Å; L834-Y836 PolarHBondContact O-N 2.94Å
837	D	87.1	Confident	89.8	Confident	35 Å²	35	28.5 Å²	28.5	19%	0.187	15%	0.147	C	C	.	.			trans	-151.2	85.3	178	-171.3	8.5	0	0	0	109.7	K774 V808 C833 P839 A840 Y894	K774-D837 IonicContact NZ-OD1 3.31Å; V808-D837 HydrophobicContact CG1-CB 4.23Å; V808-D837 HydrophobicContact CG2-CB 4.47Å; C833-D837 CarbonylContact O-C 3.59Å; C833-D837 PolarHBondContact O-N 3.45Å; D837-P839 VanDerWaalsContact OD1-CD 3.26Å; D837-P839 WeakPolarHBondContact OD1-CD 3.31Å; D837-P839 VanDerWaalsContact OD1-CG 3.25Å; D837-P839 WeakPolarHBondContact OD1-CG 3.38Å; D837-A840 HydrophobicContact CB-CB 3.95Å; D837-A840 WeakPolarHBondContact O-CA 3.48Å; D837-A840 WeakPolarHBondContact O-CB 3.29Å; D837-A840 PolarHBondContact O-N 2.85Å; D837-Y894 VanDerWaalsContact OD2-CE2 3.32Å; D837-Y894 WeakPolarHBondContact OD2-CE2 3.48Å; D837-Y894 PolarHBondContact OD2-OH 3.41Å
838	P	85.8	Confident	89.8	Confident	30 Å²	30	24.8 Å²	24.8	20%	0.195	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-47.6	-178.6	-30.5	34.9	0	0	0	116.3	A781 L834 A840 A841	A781-P838 HydrophobicContact CB-CB 4.06Å; A781-P838 VanDerWaalsContact CB-O 3.26Å; A781-P838 WeakPolarHBondContact CB-O 3.36Å; L834-P838 HydrophobicContact CD1-CB 3.86Å; L834-P838 HydrophobicContact CD1-CG 4.26Å; P838-A840 PolarHBondContact O-N 3.35Å; P838-A841 VanDerWaalsContact O-CB 3.29Å; P838-A841 WeakPolarHBondContact O-CB 3.25Å; P838-A841 PolarHBondContact O-N 2.86Å; P838-A841 VanDerWaalsContact O-N 3.13Å
839	P	88	Confident	89.4	Confident	5 Å²	5	24.4 Å²	24.4	3%	0.032	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14	177.6	27.7	-35	0	0	0	114	K774 R777 V778 D837 A841 V842 L843 Y894	K774-P839 HydrophobicContact CD-CB 4.22Å; K774-P839 HydrophobicContact CD-CG 3.58Å; R777-P839 HydrophobicContact CB-CB 3.62Å; V778-P839 HydrophobicContact CG2-CB 4.4Å; V778-P839 HydrophobicContact CG2-CG 4.27Å; D837-P839 VanDerWaalsContact OD1-CD 3.26Å; D837-P839 WeakPolarHBondContact OD1-CD 3.31Å; D837-P839 VanDerWaalsContact OD1-CG 3.25Å; D837-P839 WeakPolarHBondContact OD1-CG 3.38Å; P839-A841 PolarHBondContact O-N 3.44Å; P839-V842 PolarHBondContact O-N 3.4Å; P839-V842 VanDerWaalsContact O-N 3.11Å; P839-L843 PolarHBondContact O-N 2.87Å; P839-Y894 HydrophobicContact CB-CD1 4.09Å; P839-Y894 HydrophobicContact CB-CE1 4.14Å; P839-Y894 HydrophobicContact CG-CD1 4.29Å; P839-Y894 HydrophobicContact CG-CE1 4.27Å
840	A	90.3	Very high	89.1	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-33.9	169.4	0	0	0	0	0	111.6	V808 C833 D837 P838 V842 A844 Y894	V808-A840 HydrophobicContact CG2-CB 4.23Å; C833-A840 HydrophobicContact CB-CB 4.18Å; D837-A840 HydrophobicContact CB-CB 3.95Å; D837-A840 WeakPolarHBondContact O-CA 3.48Å; D837-A840 WeakPolarHBondContact O-CB 3.29Å; D837-A840 PolarHBondContact O-N 2.85Å; P838-A840 PolarHBondContact O-N 3.35Å; A840-V842 PolarHBondContact O-N 3.06Å; A840-A844 WeakPolarHBondContact O-CB 3.35Å; A840-A844 PolarHBondContact O-N 2.82Å; A840-Y894 WeakPolarHBondContact CA-OH 3.38Å; A840-Y894 WeakPolarHBondContact CB-OH 3.38Å
841	A	90.7	Very high	89.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-24.4	175.4	0	0	0	0	0	113	F830 C833 P838 P839 Q845	F830-A841 HydrophobicContact CD1-CB 3.56Å; F830-A841 HydrophobicContact CE1-CB 3.43Å; F830-A841 VanDerWaalsContact CE1-CB 3.43Å; F830-A841 HydrophobicContact CZ-CB 4.39Å; C833-A841 HydrophobicContact CB-CB 3.72Å; P838-A841 VanDerWaalsContact O-CB 3.29Å; P838-A841 WeakPolarHBondContact O-CB 3.25Å; P838-A841 PolarHBondContact O-N 2.86Å; P838-A841 VanDerWaalsContact O-N 3.13Å; P839-A841 PolarHBondContact O-N 3.44Å; A841-Q845 WeakPolarHBondContact O-CG 3.29Å; A841-Q845 PolarHBondContact O-NE2 3.4Å
842	V	89.4	Confident	88.6	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-95.6	-46.6	-177.6	-177.8	0	0	0	0	109.9	Y556 R777 A780 A781 P839 A840 A844 Q845 E846	Y556-V842 HydrophobicContact CD2-CG1 4.42Å; Y556-V842 HydrophobicContact CE1-CG1 3.89Å; Y556-V842 HydrophobicContact CE2-CG1 3.63Å; Y556-V842 WeakPolarHBondContact OH-CG1 3.48Å; R777-V842 HydrophobicContact CB-CB 4.28Å; R777-V842 HydrophobicContact CB-CG1 4.23Å; R777-V842 HydrophobicContact CG-CB 4.41Å; R777-V842 HydrophobicContact CG-CG1 3.99Å; R777-V842 WeakPolarHBondContact O-CG2 3.18Å; A780-V842 HydrophobicContact CB-CG1 4.1Å; A780-V842 HydrophobicContact CB-CG2 3.99Å; A781-V842 HydrophobicContact CB-CG2 3.84Å; P839-V842 PolarHBondContact O-N 3.4Å; P839-V842 VanDerWaalsContact O-N 3.11Å; A840-V842 PolarHBondContact O-N 3.06Å; V842-A844 VanDerWaalsContact C-N 3.28Å; V842-A844 PolarHBondContact O-N 2.8Å; V842-Q845 WeakPolarHBondContact O-CB 3.48Å; V842-Q845 PolarHBondContact O-N 2.58Å; V842-E846 PolarHBondContact O-N 3.44Å
843	L	90.1	Very high	88	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.7	-36.7	173.6	-175.1	63.6	0	0	0	112.2	P839 Q845 E846 L847 I874 I893 Y894 V901	P839-L843 PolarHBondContact O-N 2.87Å; L843-Q845 VanDerWaalsContact C-N 3.25Å; L843-Q845 PolarHBondContact O-N 2.72Å; L843-E846 WeakPolarHBondContact O-CB 3.38Å; L843-E846 PolarHBondContact O-N 3.19Å; L843-L847 HydrophobicContact CG-CD1 4.17Å; L843-L847 HydrophobicContact CG-CG 4.49Å; L843-L847 WeakPolarHBondContact O-CG 3.29Å; L843-L847 PolarHBondContact O-N 3.18Å; L843-I874 HydrophobicContact CD2-CD1 4.01Å; L843-I874 HydrophobicContact CD2-CG1 3.85Å; L843-I874 HydrophobicContact CD2-CG2 3.97Å; L843-I874 HydrophobicContact CG-CD1 4.3Å; L843-I874 HydrophobicContact CG-CG1 4.31Å; L843-I893 HydrophobicContact CD2-CG1 4.22Å; L843-I893 HydrophobicContact CD2-CG2 3.73Å; L843-Y894 HydrophobicContact CB-CD1 4.32Å; L843-Y894 HydrophobicContact CB-CE1 3.83Å; L843-Y894 HydrophobicContact CD2-CD1 3.78Å; L843-Y894 HydrophobicContact CD2-CE1 3.44Å; L843-Y894 VanDerWaalsContact CD2-CE1 3.44Å; L843-Y894 HydrophobicContact CD2-CG 4.43Å; L843-Y894 HydrophobicContact CG-CE1 4.28Å; L843-V901 HydrophobicContact CD1-CB 4.37Å; L843-V901 HydrophobicContact CD1-CG1 3.72Å; L843-V901 HydrophobicContact CD1-CG2 3.74Å
844	A	92.4	Very high	87.6	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-56.9	-38.3	173.2	0	0	0	0	0	112.4	L829 A840 V842 I848 I870	L829-A844 HydrophobicContact CD2-CB 3.79Å; A840-A844 WeakPolarHBondContact O-CB 3.35Å; A840-A844 PolarHBondContact O-N 2.82Å; V842-A844 VanDerWaalsContact C-N 3.28Å; V842-A844 PolarHBondContact O-N 2.8Å; A844-I848 WeakPolarHBondContact O-CB 3.34Å; A844-I848 WeakPolarHBondContact O-CD1 3.05Å; A844-I848 WeakPolarHBondContact O-CG1 3.32Å; A844-I848 PolarHBondContact O-N 3.11Å; A844-I870 HydrophobicContact CB-CG2 3.63Å
845	Q	90.7	Very high	87.6	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.9	-43.7	178.8	-66.2	178.3	52.8	0	0	112	K785 V786 V787 L790 L829 A841 V842 L843 L847 I848 I849	K785-Q845 PolarHBondContact O-NE2 3.13Å; K785-Q845 PolarHBondContact O-OE1 2.86Å; V786-Q845 VanDerWaalsContact CA-OE1 3.32Å; V787-Q845 HydrophobicContact CG2-CB 4.04Å; V787-Q845 VanDerWaalsContact CG2-OE1 3.23Å; V787-Q845 VanDerWaalsContact N-OE1 3.14Å; L790-Q845 HydrophobicContact CD1-CB 4.39Å; L790-Q845 HydrophobicContact CD1-CG 3.77Å; L790-Q845 HydrophobicContact CD2-CB 3.84Å; L790-Q845 HydrophobicContact CD2-CG 3.98Å; L790-Q845 HydrophobicContact CG-CG 4.47Å; L829-Q845 HydrophobicContact CD1-CG 3.63Å; L829-Q845 HydrophobicContact CD2-CG 4.47Å; A841-Q845 WeakPolarHBondContact O-CG 3.29Å; A841-Q845 PolarHBondContact O-NE2 3.4Å; V842-Q845 WeakPolarHBondContact O-CB 3.48Å; V842-Q845 PolarHBondContact O-N 2.58Å; L843-Q845 VanDerWaalsContact C-N 3.25Å; L843-Q845 PolarHBondContact O-N 2.72Å; Q845-L847 VanDerWaalsContact C-N 3.34Å; Q845-L847 PolarHBondContact O-N 2.83Å; Q845-I848 PolarHBondContact O-N 3.33Å; Q845-I849 WeakPolarHBondContact O-CG1 3.18Å; Q845-I849 PolarHBondContact O-N 2.96Å
846	E	87.1	Confident	86.9	Confident	10 Å²	10	15.5 Å²	15.5	5%	0.047	8%	0.077	C	C	.	.	H	α-helix	trans	-57.3	-48.3	174.8	-60.3	165.4	-144.7	0	0	110.6	Y556 L557 R777 V842 L843 I849 A850 P898	Y556-E846 HydrophobicContact CE2-CG 4.28Å; L557-E846 HydrophobicContact CD1-CG 3.97Å; L557-E846 HydrophobicContact CG-CG 4.3Å; R777-E846 IonicContact CZ-OE1 2.62Å; R777-E846 IonicContact CZ-OE2 2.69Å; R777-E846 IonicContact NE-OE1 3.74Å; R777-E846 PolarHBondContact NE-OE1 2.96Å; R777-E846 IonicContact NE-OE2 2.77Å; R777-E846 IonicContact NH2-OE1 2.89Å; R777-E846 PolarHBondContact NH2-OE1 2.86Å; R777-E846 IonicContact NH2-OE2 3.56Å; R777-E846 PolarHBondContact NH2-OE2 3.02Å; V842-E846 PolarHBondContact O-N 3.44Å; L843-E846 WeakPolarHBondContact O-CB 3.38Å; L843-E846 PolarHBondContact O-N 3.19Å; E846-I849 PolarHBondContact O-N 3.38Å; E846-A850 PolarHBondContact O-N 3.25Å; E846-P898 HydrophobicContact CG-CB 4.19Å; E846-P898 HydrophobicContact CG-CG 4.28Å; E846-P898 WeakPolarHBondContact OE2-CA 3.43Å; E846-P898 WeakPolarHBondContact OE2-CB 3.48Å; E846-P898 WeakPolarHBondContact OE2-CG 2.46Å
847	L	91.6	Very high	86.2	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.3	-47.2	177.3	-69.1	172.4	0	0	0	112.1	L843 Q845 I849 A850 L851 I870 L873 I874 L877 V901 L905	L843-L847 HydrophobicContact CG-CD1 4.17Å; L843-L847 HydrophobicContact CG-CG 4.49Å; L843-L847 WeakPolarHBondContact O-CG 3.29Å; L843-L847 PolarHBondContact O-N 3.18Å; Q845-L847 VanDerWaalsContact C-N 3.34Å; Q845-L847 PolarHBondContact O-N 2.83Å; L847-I849 VanDerWaalsContact C-N 3.25Å; L847-I849 PolarHBondContact O-N 2.9Å; L847-A850 PolarHBondContact O-N 3.31Å; L847-A850 VanDerWaalsContact O-N 3.16Å; L847-L851 WeakPolarHBondContact O-CB 3.26Å; L847-L851 WeakPolarHBondContact O-CD1 3.49Å; L847-L851 WeakPolarHBondContact O-CG 3.32Å; L847-L851 PolarHBondContact O-N 3.31Å; L847-I870 HydrophobicContact CB-CD1 4.19Å; L847-I870 HydrophobicContact CD1-CG2 4.43Å; L847-L873 HydrophobicContact CD1-CD2 4.42Å; L847-L873 HydrophobicContact CD2-CD2 4.39Å; L847-I874 HydrophobicContact CD1-CD1 4.18Å; L847-I874 HydrophobicContact CD1-CG1 3.47Å; L847-I874 VanDerWaalsContact CD1-CG1 3.47Å; L847-L877 HydrophobicContact CD1-CD1 4.39Å; L847-L877 HydrophobicContact CD2-CD1 3.71Å; L847-V901 HydrophobicContact CD2-CG1 3.59Å; L847-V901 HydrophobicContact CG-CG1 4.2Å; L847-L905 HydrophobicContact CD2-CD2 3.91Å
848	I	91.8	Very high	85.9	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-38.5	178.6	-74.8	164.9	0	0	0	111.5	L790 S793 I794 L804 I806 A844 Q845 G852 I870	L790-I848 HydrophobicContact CD2-CB 4.04Å; L790-I848 HydrophobicContact CD2-CG2 3.76Å; S793-I848 WeakPolarHBondContact CB-O 3.39Å; I794-I848 HydrophobicContact CD1-CG2 4.26Å; I794-I848 HydrophobicContact CG1-CG2 3.6Å; L804-I848 HydrophobicContact CD1-CG1 4.39Å; L804-I848 HydrophobicContact CD2-CD1 4.08Å; L804-I848 HydrophobicContact CD2-CG1 4.07Å; I806-I848 HydrophobicContact CD1-CD1 3.88Å; I806-I848 HydrophobicContact CG1-CD1 4.11Å; A844-I848 WeakPolarHBondContact O-CB 3.34Å; A844-I848 WeakPolarHBondContact O-CD1 3.05Å; A844-I848 WeakPolarHBondContact O-CG1 3.32Å; A844-I848 PolarHBondContact O-N 3.11Å; Q845-I848 PolarHBondContact O-N 3.33Å; I848-G852 PolarHBondContact O-N 3.45Å; I848-I870 HydrophobicContact CG1-CD1 3.91Å; I848-I870 HydrophobicContact CG1-CG1 4.19Å
849	I	83.3	Confident	85.9	Confident	27 Å²	27	16.8 Å²	16.8	14%	0.138	9%	0.093	C	C	.	.	H	α-helix	trans	-70.5	-42.7	176.8	-70.1	165.2	0	0	0	111.5	L557 V787 S789 L790 Q845 E846 L847 G852 H853	L557-I849 HydrophobicContact CD1-CD1 4.35Å; V787-I849 HydrophobicContact CB-CD1 3.81Å; V787-I849 HydrophobicContact CG1-CD1 3.96Å; V787-I849 HydrophobicContact CG2-CD1 3.48Å; V787-I849 VanDerWaalsContact CG2-CD1 3.48Å; S789-I849 VanDerWaalsContact OG-CD1 3.23Å; S789-I849 WeakPolarHBondContact OG-CD1 3.34Å; L790-I849 HydrophobicContact CD2-CD1 4.29Å; L790-I849 HydrophobicContact CD2-CG1 4.15Å; Q845-I849 WeakPolarHBondContact O-CG1 3.18Å; Q845-I849 PolarHBondContact O-N 2.96Å; E846-I849 PolarHBondContact O-N 3.38Å; L847-I849 VanDerWaalsContact C-N 3.25Å; L847-I849 PolarHBondContact O-N 2.9Å; I849-G852 PolarHBondContact O-N 2.8Å; I849-H853 WeakPolarHBondContact O-CB 3.23Å; I849-H853 PolarHBondContact O-N 3.12Å
850	A	84	Confident	85.9	Confident	7 Å²	7	22.4 Å²	22.4	6%	0.058	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-45.3	175.9	0	0	0	0	0	111.7	E846 L847 H853 F854 K902 L905	E846-A850 PolarHBondContact O-N 3.25Å; L847-A850 PolarHBondContact O-N 3.31Å; L847-A850 VanDerWaalsContact O-N 3.16Å; A850-H853 WeakPolarHBondContact O-CB 3.05Å; A850-H853 PolarHBondContact O-N 2.98Å; A850-F854 HydrophobicContact CB-CD2 4.41Å; A850-F854 HydrophobicContact CB-CE2 4.09Å; A850-F854 WeakPolarHBondContact O-CD2 3.38Å; A850-F854 VanDerWaalsContact O-CG 3.32Å; A850-F854 WeakPolarHBondContact O-CG 3.46Å; A850-F854 PolarHBondContact O-N 3.22Å; A850-K902 HydrophobicContact CB-CB 4.42Å; A850-K902 HydrophobicContact CB-CG 4.24Å; A850-L905 HydrophobicContact CB-CD2 3.71Å
851	L	91.4	Very high	85.9	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-46.4	175.5	-67.2	163.3	0	0	0	112	I797 L847 H853 F854 V855 F862 I868 I870 L873 L905 L909	I797-L851 HydrophobicContact CD1-CB 3.86Å; L847-L851 WeakPolarHBondContact O-CB 3.26Å; L847-L851 WeakPolarHBondContact O-CD1 3.49Å; L847-L851 WeakPolarHBondContact O-CG 3.32Å; L847-L851 PolarHBondContact O-N 3.31Å; L851-H853 PolarHBondContact O-N 3.14Å; L851-F854 PolarHBondContact O-N 3.46Å; L851-V855 WeakPolarHBondContact O-CB 3.22Å; L851-V855 WeakPolarHBondContact O-CG1 3.49Å; L851-V855 PolarHBondContact O-N 3.08Å; L851-F862 HydrophobicContact CD2-CE1 3.78Å; L851-F862 HydrophobicContact CD2-CZ 4.02Å; L851-I868 HydrophobicContact CD1-CG2 3.82Å; L851-I868 HydrophobicContact CD2-CD1 4.44Å; L851-I868 HydrophobicContact CD2-CG2 4.25Å; L851-I870 HydrophobicContact CD1-CD1 3.5Å; L851-I870 VanDerWaalsContact CD1-CD1 3.5Å; L851-L873 HydrophobicContact CD1-CD2 3.81Å; L851-L873 HydrophobicContact CD2-CD2 4.08Å; L851-L873 HydrophobicContact CG-CD2 4.33Å; L851-L905 HydrophobicContact CD2-CD1 4.3Å; L851-L905 HydrophobicContact CD2-CD2 4.09Å; L851-L905 HydrophobicContact CG-CD2 4.09Å; L851-L909 HydrophobicContact CD2-CD1 4.15Å
852	G	82.7	Confident	86	Confident	5 Å²	5	23 Å²	23	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-26	177	0	0	0	0	0	113.7	I848 I849 M856	I848-G852 PolarHBondContact O-N 3.45Å; I849-G852 PolarHBondContact O-N 2.8Å; G852-M856 WeakPolarHBondContact O-CG 3.42Å
853	H	78.3	Confident	86	Confident	46 Å²	46	26.7 Å²	26.7	21%	0.213	15%	0.147	C	C	.	.	H	α-helix	trans	-76.9	-54.7	170	173.7	62	0	0	0	111.8	F583 I849 A850 L851 V855 M856 V857	F583-H853 AromaticContact CZ-NE2 3.62Å; I849-H853 WeakPolarHBondContact O-CB 3.23Å; I849-H853 PolarHBondContact O-N 3.12Å; A850-H853 WeakPolarHBondContact O-CB 3.05Å; A850-H853 PolarHBondContact O-N 2.98Å; L851-H853 PolarHBondContact O-N 3.14Å; H853-V855 VanDerWaalsContact C-N 3.35Å; H853-V855 PolarHBondContact O-N 3.41Å; H853-M856 PolarHBondContact O-N 3.32Å; H853-V857 PolarHBondContact O-N 2.85Å; H853-V857 VanDerWaalsContact O-N 3.09Å
854	F	83.4	Confident	86	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-41.4	-177.5	-66.1	-44.1	0	0	0	112.2	A850 L851 M856 V857 E858 L861 F862 K902 L905 H906 L909	A850-F854 HydrophobicContact CB-CD2 4.41Å; A850-F854 HydrophobicContact CB-CE2 4.09Å; A850-F854 WeakPolarHBondContact O-CD2 3.38Å; A850-F854 VanDerWaalsContact O-CG 3.32Å; A850-F854 WeakPolarHBondContact O-CG 3.46Å; A850-F854 PolarHBondContact O-N 3.22Å; L851-F854 PolarHBondContact O-N 3.46Å; F854-M856 PolarHBondContact O-N 3.39Å; F854-V857 PolarHBondContact O-N 3.43Å; F854-E858 CarbonylContact O-C 3.59Å; F854-E858 VanDerWaalsContact O-C 3.27Å; F854-E858 WeakPolarHBondContact O-CA 3.47Å; F854-E858 PolarHBondContact O-N 3.43Å; F854-L861 HydrophobicContact CB-CD1 4.18Å; F854-L861 HydrophobicContact CD1-CD1 4.38Å; F854-L861 HydrophobicContact CG-CD1 4.31Å; F854-F862 HydrophobicContact CB-CE2 3.72Å; F854-F862 HydrophobicContact CB-CZ 3.93Å; F854-K902 HydrophobicContact CE2-CG 4.17Å; F854-K902 HydrophobicContact CZ-CD 4.38Å; F854-K902 HydrophobicContact CZ-CG 3.68Å; F854-L905 HydrophobicContact CD2-CD2 4.24Å; F854-L905 HydrophobicContact CD2-CG 4.49Å; F854-L905 HydrophobicContact CE2-CD2 4.01Å; F854-L905 HydrophobicContact CE2-CG 4.15Å; F854-H906 HydrophobicContact CE1-CB 4.4Å; F854-H906 AromaticContact CE1-CD2 3.64Å; F854-H906 HydrophobicContact CE2-CB 4.35Å; F854-H906 HydrophobicContact CZ-CB 3.87Å; F854-H906 AromaticContact CZ-CD2 3.99Å; F854-L909 HydrophobicContact CD2-CD1 4.39Å
855	V	86.2	Confident	86	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-16.5	178.7	83.5	0	0	0	0	112.9	I797 R800 K802 L851 H853 F862	I797-V855 HydrophobicContact CG1-CG1 4.03Å; R800-V855 HydrophobicContact CB-CG2 3.81Å; R800-V855 HydrophobicContact CG-CG1 4.31Å; R800-V855 HydrophobicContact CG-CG2 3.86Å; R800-V855 PolarHBondContact NE-O 2.7Å; R800-V855 PolarHBondContact NH2-O 3.41Å; K802-V855 HydrophobicContact CG-CG2 4.38Å; L851-V855 WeakPolarHBondContact O-CB 3.22Å; L851-V855 WeakPolarHBondContact O-CG1 3.49Å; L851-V855 PolarHBondContact O-N 3.08Å; H853-V855 VanDerWaalsContact C-N 3.35Å; H853-V855 PolarHBondContact O-N 3.41Å; V855-F862 VanDerWaalsContact CA-CE2 3.48Å; V855-F862 HydrophobicContact CB-CD2 4.03Å; V855-F862 HydrophobicContact CB-CE1 4.45Å; V855-F862 HydrophobicContact CB-CE2 3.77Å; V855-F862 HydrophobicContact CB-CZ 3.99Å; V855-F862 HydrophobicContact CG2-CD1 4.34Å; V855-F862 HydrophobicContact CG2-CD2 3.88Å; V855-F862 HydrophobicContact CG2-CE2 4.14Å; V855-F862 HydrophobicContact CG2-CG 4Å; V855-F862 HydrophobicContact CG2-CZ 4.45Å; V855-F862 VanDerWaalsContact N-CE2 3.28Å
856	M	73.2	Confident	86.1	Confident	51 Å²	51	28.3 Å²	28.3	25%	0.251	16%	0.16	S	C	.	.	H	α-helix	trans	-95.1	-33.6	175.7	-69.4	-57	-60.4	0	0	113.4	T276 R800 G852 H853 F854	T276-M856 HydrophobicContact CG2-CE 3.53Å; R800-M856 HydrophobicContact CG-SD 4.31Å; R800-M856 PolarHBondContact NH2-O 3.3Å; G852-M856 WeakPolarHBondContact O-CG 3.42Å; H853-M856 PolarHBondContact O-N 3.32Å; F854-M856 PolarHBondContact O-N 3.39Å
857	V	72	Confident	86.4	Confident	90 Å²	90	28.1 Å²	28.1	55%	0.545	16%	0.159	S	C	.	.	H	α-helix	trans	-95.4	-46.1	-176	-175.4	0	0	0	0	112.7	H853 F854 P859	H853-V857 PolarHBondContact O-N 2.85Å; H853-V857 VanDerWaalsContact O-N 3.09Å; F854-V857 PolarHBondContact O-N 3.43Å; V857-P859 VanDerWaalsContact C-CD 3.48Å; V857-P859 WeakPolarHBondContact O-CD 3.2Å
858	E	81.7	Confident	86.5	Confident	56 Å²	56	28.5 Å²	28.5	26%	0.262	16%	0.162	S	C	.	.			trans	-126.2	64.8	-176.2	-66.4	168.9	-93.4	0	0	110	F854 E860 L861 H906	F854-E858 CarbonylContact O-C 3.59Å; F854-E858 VanDerWaalsContact O-C 3.27Å; F854-E858 WeakPolarHBondContact O-CA 3.47Å; F854-E858 PolarHBondContact O-N 3.43Å; E858-E860 WeakPolarHBondContact CA-OE1 3.43Å; E858-E860 PolarHBondContact O-N 2.98Å; E858-E860 VanDerWaalsContact O-N 3.1Å; E858-L861 HydrophobicContact CB-CD1 3.63Å; E858-L861 HydrophobicContact CB-CG 3.87Å; E858-L861 HydrophobicContact CG-CD1 4.44Å; E858-L861 WeakPolarHBondContact O-CB 3.42Å; E858-L861 WeakPolarHBondContact O-CG 3.46Å; E858-L861 PolarHBondContact O-N 3.06Å; E858-H906 IonicContact OE1-CD2 3.67Å; E858-H906 IonicContact OE1-NE2 2.62Å; E858-H906 PolarHBondContact OE1-NE2 3.5Å; E858-H906 IonicContact OE2-CD2 2.73Å; E858-H906 IonicContact OE2-CE1 3.72Å; E858-H906 IonicContact OE2-NE2 2.77Å; E858-H906 PolarHBondContact OE2-NE2 3.19Å
859	P	85	Confident	86.6	Confident	49 Å²	49	29.4 Å²	29.4	32%	0.318	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-60	-23.3	-174.2	25.5	-35.3	0	0	0	114	V857 L861 F862	V857-P859 VanDerWaalsContact C-CD 3.48Å; V857-P859 WeakPolarHBondContact O-CD 3.2Å; P859-L861 PolarHBondContact O-N 3.37Å; P859-F862 PolarHBondContact O-N 3.15Å
860	E	88.7	Confident	87.2	Confident	124 Å²	124	28.1 Å²	28.1	58%	0.579	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-58.6	-26.9	172.4	53.2	-81	-177.9	0	0	114.3	E858 F862 S863	E858-E860 WeakPolarHBondContact CA-OE1 3.43Å; E858-E860 PolarHBondContact O-N 2.98Å; E858-E860 VanDerWaalsContact O-N 3.1Å; E860-F862 PolarHBondContact O-N 2.89Å; E860-F862 VanDerWaalsContact O-N 3.1Å; E860-S863 VanDerWaalsContact O-CB 3.24Å; E860-S863 WeakPolarHBondContact O-CB 3.42Å; E860-S863 PolarHBondContact O-N 2.94Å
861	L	89.9	Confident	87.6	Confident	12 Å²	12	28 Å²	28	6%	0.063	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-60.9	-18.2	171.6	-65.4	176.3	0	0	0	112.7	F854 E858 P859 L909 R931	F854-L861 HydrophobicContact CB-CD1 4.18Å; F854-L861 HydrophobicContact CD1-CD1 4.38Å; F854-L861 HydrophobicContact CG-CD1 4.31Å; E858-L861 HydrophobicContact CB-CD1 3.63Å; E858-L861 HydrophobicContact CB-CG 3.87Å; E858-L861 HydrophobicContact CG-CD1 4.44Å; E858-L861 WeakPolarHBondContact O-CB 3.42Å; E858-L861 WeakPolarHBondContact O-CG 3.46Å; E858-L861 PolarHBondContact O-N 3.06Å; P859-L861 PolarHBondContact O-N 3.37Å; L861-L909 HydrophobicContact CB-CB 4.19Å; L861-L909 HydrophobicContact CD2-CB 4.42Å; L861-R931 PolarHBondContact O-NH2 3.29Å
862	F	93.3	Very high	87.7	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.009	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-105.8	17.7	178.1	-56.2	-96.4	0	0	0	112.2	K802 L851 F854 V855 P859 E860 G864 I865 I868 L909	K802-F862 PolarHBondContact NZ-O 3.04Å; L851-F862 HydrophobicContact CD2-CE1 3.78Å; L851-F862 HydrophobicContact CD2-CZ 4.02Å; F854-F862 HydrophobicContact CB-CE2 3.72Å; F854-F862 HydrophobicContact CB-CZ 3.93Å; V855-F862 VanDerWaalsContact CA-CE2 3.48Å; V855-F862 HydrophobicContact CB-CD2 4.03Å; V855-F862 HydrophobicContact CB-CE1 4.45Å; V855-F862 HydrophobicContact CB-CE2 3.77Å; V855-F862 HydrophobicContact CB-CZ 3.99Å; V855-F862 HydrophobicContact CG2-CD1 4.34Å; V855-F862 HydrophobicContact CG2-CD2 3.88Å; V855-F862 HydrophobicContact CG2-CE2 4.14Å; V855-F862 HydrophobicContact CG2-CG 4Å; V855-F862 HydrophobicContact CG2-CZ 4.45Å; V855-F862 VanDerWaalsContact N-CE2 3.28Å; P859-F862 PolarHBondContact O-N 3.15Å; E860-F862 PolarHBondContact O-N 2.89Å; E860-F862 VanDerWaalsContact O-N 3.1Å; F862-G864 PolarHBondContact O-N 3.16Å; F862-I865 PolarHBondContact O-N 3.26Å; F862-I868 HydrophobicContact CD1-CD1 3.9Å; F862-I868 HydrophobicContact CE1-CD1 3.73Å; F862-L909 HydrophobicContact CE1-CD1 4.35Å; F862-L909 HydrophobicContact CZ-CD1 4.02Å
863	S	90.1	Very high	88.3	Confident	76 Å²	76	28.9 Å²	28.9	53%	0.531	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	133.2	167.7	-168.8	0	0	0	0	109.9	E860 I865 R931	E860-S863 VanDerWaalsContact O-CB 3.24Å; E860-S863 WeakPolarHBondContact O-CB 3.42Å; E860-S863 PolarHBondContact O-N 2.94Å; S863-I865 PolarHBondContact O-N 2.84Å; S863-R931 PolarHBondContact O-NE 2.79Å
864	G	89.4	Confident	89	Confident	19 Å²	19	27.2 Å²	27.2	20%	0.196	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	-9	-176.9	0	0	0	0	0	116.7	F862 R931 V932	F862-G864 PolarHBondContact O-N 3.16Å; G864-R931 CarbonylContact O-C 3.34Å; G864-R931 WeakPolarHBondContact O-CA 3.22Å; G864-V932 WeakPolarHBondContact CA-O 3.41Å; G864-V932 WeakPolarHBondContact O-CG2 3.48Å; G864-V932 PolarHBondContact O-N 2.61Å
865	I	93.2	Very high	89.3	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.026	16%	0.163	C	C	.	.			trans	-96.6	124.6	178.9	-60.1	-179.7	0	0	0	109.1	K802 F862 S863 I868 L909 L929 R931	K802-I865 VanDerWaalsContact CD-O 3.32Å; K802-I865 WeakPolarHBondContact CD-O 3.29Å; K802-I865 WeakPolarHBondContact CE-O 3.34Å; K802-I865 PolarHBondContact NZ-O 3.4Å; F862-I865 PolarHBondContact O-N 3.26Å; S863-I865 PolarHBondContact O-N 2.84Å; I865-I868 HydrophobicContact CG2-CG1 3.89Å; I865-L909 HydrophobicContact CD1-CD2 3.79Å; I865-L929 HydrophobicContact CD1-CB 4.2Å; I865-L929 WeakPolarHBondContact CG1-O 3.42Å; I865-R931 HydrophobicContact CG1-CB 3.96Å; I865-R931 HydrophobicContact CG1-CG 4.17Å
866	L	91.4	Very high	89.6	Confident	11 Å²	11	29.5 Å²	29.5	6%	0.058	16%	0.163	C	C	.	.			trans	-106.1	-52.6	177.7	-177.6	58.4	0	0	0	113.2	G801 K802 R803 F937 L972 A975 L976 D979	G801-L866 WeakPolarHBondContact O-CD1 3.44Å; K802-L866 CarbonylContact C-O 3.56Å; K802-L866 WeakPolarHBondContact CA-O 3.47Å; R803-L866 PolarHBondContact N-O 2.83Å; L866-F937 HydrophobicContact CB-CZ 4.33Å; L866-F937 HydrophobicContact CD2-CE1 4.2Å; L866-F937 HydrophobicContact CD2-CE2 4.37Å; L866-F937 HydrophobicContact CD2-CZ 3.73Å; L866-L972 HydrophobicContact CD1-CD1 3.79Å; L866-A975 VanDerWaalsContact CD2-C 3.42Å; L866-A975 HydrophobicContact CD2-CB 3.73Å; L866-A975 WeakPolarHBondContact CD2-O 3.31Å; L866-L976 HydrophobicContact CD1-CD2 4.05Å; L866-L976 HydrophobicContact CD2-CD2 3.84Å; L866-L976 HydrophobicContact CD2-CG 4.22Å; L866-L976 HydrophobicContact CG-CD2 3.82Å; L866-D979 HydrophobicContact CD2-CB 4.06Å
867	K	93	Very high	90.4	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.1	178.2	-173.3	172.5	178.2	176.3	0	108.8	R803 T805 T815 N930 D979 E980	R803-K867 HydrophobicContact CB-CB 4.18Å; R803-K867 HydrophobicContact CB-CG 3.93Å; R803-K867 WeakPolarHBondContact O-CA 3.45Å; T805-K867 HydrophobicContact CG2-CD 4.24Å; T805-K867 HydrophobicContact CG2-CG 4.09Å; T815-K867 WeakPolarHBondContact OG1-CE 3.39Å; T815-K867 PolarHBondContact OG1-NZ 2.93Å; K867-N930 WeakPolarHBondContact O-CB 3.48Å; K867-N930 PolarHBondContact O-ND2 3.24Å; K867-D979 WeakPolarHBondContact CB-OD2 3.43Å; K867-D979 VanDerWaalsContact CD-OD2 3.28Å; K867-D979 WeakPolarHBondContact CD-OD2 3.5Å; K867-E980 IonicContact NZ-OE1 2.66Å; K867-E980 PolarHBondContact NZ-OE1 3.03Å
868	I	94.6	Very high	91.1	Very high	9 Å²	9	24 Å²	24	5%	0.046	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	111.5	178.9	-55.4	159.1	0	0	0	107.6	I797 R803 L804 T805 L851 F862 I865 L873	I797-I868 HydrophobicContact CG2-CD1 3.94Å; R803-I868 PolarHBondContact O-N 3.47Å; L804-I868 CarbonylContact C-O 3.58Å; L804-I868 WeakPolarHBondContact CA-O 3.38Å; L804-I868 HydrophobicContact CD1-CB 4.33Å; L804-I868 HydrophobicContact CD1-CG2 4.48Å; T805-I868 PolarHBondContact N-O 3.22Å; L851-I868 HydrophobicContact CD1-CG2 3.82Å; L851-I868 HydrophobicContact CD2-CD1 4.44Å; L851-I868 HydrophobicContact CD2-CG2 4.25Å; F862-I868 HydrophobicContact CD1-CD1 3.9Å; F862-I868 HydrophobicContact CE1-CD1 3.73Å; I865-I868 HydrophobicContact CG2-CG1 3.89Å; I868-L873 HydrophobicContact CG2-CD2 4.27Å
869	R	94.2	Very high	91.2	Very high	18 Å²	18	23.8 Å²	23.8	7%	0.068	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.9	-179.8	-59.7	172.5	94.3	170.5	13.1	110.2	T805 E813 G871 W872 L873 C983	T805-R869 HydrophobicContact CG2-CG 4.12Å; T805-R869 WeakPolarHBondContact OG1-CA 3.46Å; T805-R869 WeakPolarHBondContact OG1-CB 2.96Å; E813-R869 VanDerWaalsContact CD-NE 3.34Å; E813-R869 IonicContact OE1-CZ 3.46Å; E813-R869 IonicContact OE1-NE 3.97Å; E813-R869 PolarHBondContact OE1-NE 3.3Å; E813-R869 IonicContact OE1-NH2 3.8Å; E813-R869 PolarHBondContact OE1-NH2 2.83Å; E813-R869 IonicContact OE2-CZ 3.24Å; E813-R869 IonicContact OE2-NE 2.8Å; E813-R869 PolarHBondContact OE2-NE 2.87Å; E813-R869 VanDerWaalsContact OE2-NE 3.11Å; E813-R869 IonicContact OE2-NH2 2.75Å; R869-G871 PolarHBondContact O-N 3.16Å; R869-W872 HydrophobicContact CB-CB 3.9Å; R869-W872 HydrophobicContact CB-CG 3.96Å; R869-W872 VanDerWaalsContact NH1-CZ2 3.28Å; R869-W872 PolarHBondContact O-N 3.48Å; R869-L873 WeakPolarHBondContact O-CB 3.47Å; R869-L873 PolarHBondContact O-N 3.09Å; R869-C983 PolarHBondContact NH1-O 3.13Å; R869-C983 PolarHBondContact NH2-O 3.21Å
870	I	95.1	Very high	91.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-65.9	-43.8	-169.2	-69	-69	0	0	0	112.8	L804 T805 A844 L847 I848 L851 W872 L873 I874	L804-I870 HydrophobicContact CD1-CD1 3.89Å; L804-I870 HydrophobicContact CD1-CG1 3.69Å; L804-I870 HydrophobicContact CG-CG1 4.47Å; T805-I870 VanDerWaalsContact O-CB 3.31Å; T805-I870 WeakPolarHBondContact O-CB 3.42Å; T805-I870 WeakPolarHBondContact O-CG1 3.44Å; T805-I870 PolarHBondContact O-N 3.5Å; T805-I870 VanDerWaalsContact O-N 3.15Å; A844-I870 HydrophobicContact CB-CG2 3.63Å; L847-I870 HydrophobicContact CB-CD1 4.19Å; L847-I870 HydrophobicContact CD1-CG2 4.43Å; I848-I870 HydrophobicContact CG1-CD1 3.91Å; I848-I870 HydrophobicContact CG1-CG1 4.19Å; L851-I870 HydrophobicContact CD1-CD1 3.5Å; L851-I870 VanDerWaalsContact CD1-CD1 3.5Å; I870-W872 VanDerWaalsContact C-N 3.31Å; I870-W872 PolarHBondContact O-N 2.9Å; I870-L873 HydrophobicContact CD1-CD2 4.29Å; I870-L873 WeakPolarHBondContact O-CB 3.26Å; I870-L873 PolarHBondContact O-N 3.3Å; I870-L873 VanDerWaalsContact O-N 3.15Å; I870-I874 HydrophobicContact CG2-CD1 4.14Å; I870-I874 WeakPolarHBondContact O-CG1 3.42Å; I870-I874 PolarHBondContact O-N 2.91Å
871	G	93	Very high	90.6	Very high	3 Å²	3	17.5 Å²	17.5	3%	0.031	10%	0.1	C	C	.	.	H	α-helix	trans	-59.3	-41.1	175.8	0	0	0	0	0	112.8	G807 R869 L873 I874 H875	G807-G871 WeakPolarHBondContact O-CA 3.43Å; G807-G871 PolarHBondContact O-N 3.39Å; R869-G871 PolarHBondContact O-N 3.16Å; G871-L873 VanDerWaalsContact C-N 3.35Å; G871-I874 PolarHBondContact O-N 2.88Å; G871-H875 PolarHBondContact O-N 3.48Å
872	W	93.7	Very high	89.5	Confident	20 Å²	20	24.2 Å²	24.2	8%	0.076	13%	0.129	C	C	.	.	H	α-helix	trans	-71.3	-29.7	177.1	-64.2	66.7	0	0	0	112.5	F809 R869 I870 H875 A876 I985 T986 P988	F809-W872 HydrophobicContact CD2-CB 4.48Å; F809-W872 AromaticContact CD2-CD2 3.86Å; F809-W872 HydrophobicContact CD2-CD2 3.86Å; F809-W872 HydrophobicContact CD2-CE3 4.26Å; F809-W872 AromaticContact CD2-CG 3.96Å; F809-W872 HydrophobicContact CD2-CG 3.96Å; F809-W872 AromaticContact CE2-CD2 3.81Å; F809-W872 HydrophobicContact CE2-CD2 3.81Å; F809-W872 AromaticContact CE2-CE3 3.76Å; F809-W872 HydrophobicContact CE2-CE3 3.76Å; F809-W872 HydrophobicContact CE2-CG 4.36Å; F809-W872 HydrophobicContact CE2-CH2 4.36Å; F809-W872 HydrophobicContact CE2-CZ2 4.38Å; F809-W872 HydrophobicContact CE2-CZ3 4.06Å; R869-W872 HydrophobicContact CB-CB 3.9Å; R869-W872 HydrophobicContact CB-CG 3.96Å; R869-W872 VanDerWaalsContact NH1-CZ2 3.28Å; R869-W872 PolarHBondContact O-N 3.48Å; I870-W872 VanDerWaalsContact C-N 3.31Å; I870-W872 PolarHBondContact O-N 2.9Å; W872-H875 PolarHBondContact O-N 2.96Å; W872-A876 WeakPolarHBondContact O-CB 3.27Å; W872-A876 PolarHBondContact O-N 3.35Å; W872-I985 WeakPolarHBondContact CH2-O 3.37Å; W872-T986 WeakPolarHBondContact CH2-O 3.12Å; W872-P988 HydrophobicContact CE3-CB 4.43Å; W872-P988 HydrophobicContact CE3-CG 4.15Å; W872-P988 HydrophobicContact CZ3-CB 4.02Å; W872-P988 HydrophobicContact CZ3-CG 3.72Å
873	L	94.8	Very high	87.7	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-38.6	172.9	-175.1	64.8	0	0	0	111.8	L847 L851 I868 R869 I870 G871 A876 L877 L905 L908 L929	L847-L873 HydrophobicContact CD1-CD2 4.42Å; L847-L873 HydrophobicContact CD2-CD2 4.39Å; L851-L873 HydrophobicContact CD1-CD2 3.81Å; L851-L873 HydrophobicContact CD2-CD2 4.08Å; L851-L873 HydrophobicContact CG-CD2 4.33Å; I868-L873 HydrophobicContact CG2-CD2 4.27Å; R869-L873 WeakPolarHBondContact O-CB 3.47Å; R869-L873 PolarHBondContact O-N 3.09Å; I870-L873 HydrophobicContact CD1-CD2 4.29Å; I870-L873 WeakPolarHBondContact O-CB 3.26Å; I870-L873 PolarHBondContact O-N 3.3Å; I870-L873 VanDerWaalsContact O-N 3.15Å; G871-L873 VanDerWaalsContact C-N 3.35Å; L873-A876 PolarHBondContact O-N 3.05Å; L873-L877 VanDerWaalsContact O-CG 3.31Å; L873-L877 WeakPolarHBondContact O-CG 3.39Å; L873-L877 PolarHBondContact O-N 3.06Å; L873-L905 HydrophobicContact CD1-CD1 3.73Å; L873-L905 HydrophobicContact CD2-CD1 3.82Å; L873-L905 HydrophobicContact CG-CD1 4.09Å; L873-L908 HydrophobicContact CD1-CD2 4.06Å; L873-L929 HydrophobicContact CD1-CD2 3.55Å
874	I	92.7	Very high	86.2	Confident	11 Å²	11	30 Å²	30	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-48.9	171.3	-67	168.2	0	0	0	109.7	L843 L847 I870 G871 A876 L877 D878 I893 Y894	L843-I874 HydrophobicContact CD2-CD1 4.01Å; L843-I874 HydrophobicContact CD2-CG1 3.85Å; L843-I874 HydrophobicContact CD2-CG2 3.97Å; L843-I874 HydrophobicContact CG-CD1 4.3Å; L843-I874 HydrophobicContact CG-CG1 4.31Å; L847-I874 HydrophobicContact CD1-CD1 4.18Å; L847-I874 HydrophobicContact CD1-CG1 3.47Å; L847-I874 VanDerWaalsContact CD1-CG1 3.47Å; I870-I874 HydrophobicContact CG2-CD1 4.14Å; I870-I874 WeakPolarHBondContact O-CG1 3.42Å; I870-I874 PolarHBondContact O-N 2.91Å; G871-I874 PolarHBondContact O-N 2.88Å; I874-A876 PolarHBondContact O-N 3.48Å; I874-L877 WeakPolarHBondContact O-CB 3.42Å; I874-L877 PolarHBondContact O-N 3.17Å; I874-L877 VanDerWaalsContact O-N 3.13Å; I874-D878 PolarHBondContact O-N 2.81Å; I874-I893 HydrophobicContact CG2-CG2 3.93Å; I874-Y894 HydrophobicContact CG2-CE2 4.2Å
875	H	90.7	Very high	84	Confident	53 Å²	53	37.5 Å²	37.5	25%	0.245	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-43.4	175.9	-179.6	61.2	0	0	0	112.8	F809 G871 W872 L877 D878 L879	F809-H875 HydrophobicContact CB-CB 4.16Å; F809-H875 HydrophobicContact CD1-CB 4.22Å; F809-H875 AromaticContact CD1-CG 3.93Å; F809-H875 AromaticContact CD1-ND1 3.98Å; F809-H875 HydrophobicContact CD2-CB 3.83Å; F809-H875 AromaticContact CD2-CG 3.96Å; F809-H875 AromaticContact CE1-CD2 3.93Å; F809-H875 AromaticContact CE1-CE1 3.86Å; F809-H875 AromaticContact CE1-CG 3.91Å; F809-H875 AromaticContact CE1-ND1 3.88Å; F809-H875 AromaticContact CE1-NE2 3.9Å; F809-H875 HydrophobicContact CE2-CB 4.28Å; F809-H875 AromaticContact CE2-CD2 3.57Å; F809-H875 AromaticContact CE2-CG 3.94Å; F809-H875 HydrophobicContact CG-CB 3.79Å; F809-H875 AromaticContact CG-CG 3.95Å; F809-H875 AromaticContact CZ-CD2 3.5Å; F809-H875 AromaticContact CZ-CG 3.92Å; F809-H875 AromaticContact CZ-NE2 3.62Å; G871-H875 PolarHBondContact O-N 3.48Å; W872-H875 PolarHBondContact O-N 2.96Å; H875-L877 VanDerWaalsContact C-N 3.31Å; H875-L877 PolarHBondContact O-N 2.83Å; H875-D878 PolarHBondContact O-N 3.22Å; H875-L879 WeakPolarHBondContact O-CG 3.27Å; H875-L879 PolarHBondContact O-N 3.11Å
876	A	91.5	Very high	81.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-36	175.6	0	0	0	0	0	112.7	W872 L873 I874 T880 L908 L925	W872-A876 WeakPolarHBondContact O-CB 3.27Å; W872-A876 PolarHBondContact O-N 3.35Å; L873-A876 PolarHBondContact O-N 3.05Å; I874-A876 PolarHBondContact O-N 3.48Å; A876-T880 PolarHBondContact O-N 3.39Å; A876-L908 HydrophobicContact CB-CD2 3.99Å; A876-L925 HydrophobicContact CB-CD2 4.06Å; A876-L925 WeakPolarHBondContact O-CD2 3.46Å
877	L	90.1	Very high	79.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-48.8	175.1	-75	164.2	0	0	0	111.3	L847 L873 I874 H875 L879 T880 L881 I893 Q904 L905 L908	L847-L877 HydrophobicContact CD1-CD1 4.39Å; L847-L877 HydrophobicContact CD2-CD1 3.71Å; L873-L877 VanDerWaalsContact O-CG 3.31Å; L873-L877 WeakPolarHBondContact O-CG 3.39Å; L873-L877 PolarHBondContact O-N 3.06Å; I874-L877 WeakPolarHBondContact O-CB 3.42Å; I874-L877 PolarHBondContact O-N 3.17Å; I874-L877 VanDerWaalsContact O-N 3.13Å; H875-L877 VanDerWaalsContact C-N 3.31Å; H875-L877 PolarHBondContact O-N 2.83Å; L877-L879 VanDerWaalsContact C-N 3.3Å; L877-L879 PolarHBondContact O-N 2.83Å; L877-T880 PolarHBondContact O-N 2.75Å; L877-T880 PolarHBondContact O-OG1 2.73Å; L877-L881 PolarHBondContact O-N 2.75Å; L877-I893 HydrophobicContact CB-CB 4.31Å; L877-I893 HydrophobicContact CB-CD1 3.95Å; L877-I893 HydrophobicContact CB-CG1 3.88Å; L877-I893 HydrophobicContact CD1-CD1 4.17Å; L877-I893 HydrophobicContact CD1-CG1 4.09Å; L877-I893 HydrophobicContact CD2-CD1 4.42Å; L877-I893 HydrophobicContact CG-CD1 4.41Å; L877-Q904 HydrophobicContact CD2-CB 3.88Å; L877-L905 HydrophobicContact CD2-CB 4.48Å; L877-L908 HydrophobicContact CD2-CB 4.46Å; L877-L908 HydrophobicContact CD2-CD2 3.79Å; L877-L908 HydrophobicContact CG-CD2 3.92Å
878	D	87.2	Confident	76.9	Confident	26 Å²	26	54 Å²	54	14%	0.139	28%	0.275	C	S	.	.	H	α-helix	trans	-55.9	-43.3	174.9	-80.4	-44.9	0	0	0	111.9	I874 H875 T880 L881 F882 S892 I893	I874-D878 PolarHBondContact O-N 2.81Å; H875-D878 PolarHBondContact O-N 3.22Å; D878-T880 PolarHBondContact O-N 3.41Å; D878-L881 WeakPolarHBondContact O-CB 3.32Å; D878-L881 PolarHBondContact O-N 3.05Å; D878-F882 WeakPolarHBondContact O-CD2 3.32Å; D878-F882 PolarHBondContact O-N 2.79Å; D878-S892 VanDerWaalsContact OD1-CA 3.22Å; D878-S892 WeakPolarHBondContact OD1-CA 3.47Å; D878-S892 WeakPolarHBondContact OD1-CB 3.18Å; D878-S892 PolarHBondContact OD1-OG 3.13Å; D878-I893 WeakPolarHBondContact OD1-CG2 2.47Å; D878-I893 PolarHBondContact OD1-N 3.46Å
879	L	84.1	Confident	74.7	Confident	51 Å²	51	59.2 Å²	59.2	27%	0.267	31%	0.309	S	S	.	.	H	α-helix	trans	-57.7	-30.3	175.8	-73.4	175.9	0	0	0	113.6	H875 L877 L881 Q924 L925	H875-L879 WeakPolarHBondContact O-CG 3.27Å; H875-L879 PolarHBondContact O-N 3.11Å; L877-L879 VanDerWaalsContact C-N 3.3Å; L877-L879 PolarHBondContact O-N 2.83Å; L879-L881 VanDerWaalsContact C-N 3.34Å; L879-Q924 HydrophobicContact CD1-CB 4.2Å; L879-L925 HydrophobicContact CB-CD2 4.18Å
880	T	81.8	Confident	72.6	Confident	38 Å²	38	59.8 Å²	59.8	23%	0.233	32%	0.318	C	S	.	.	H	α-helix	trans	-79.6	-12.2	175.7	64	0	0	0	0	114.6	A876 L877 D878 L908 L925	A876-T880 PolarHBondContact O-N 3.39Å; L877-T880 PolarHBondContact O-N 2.75Å; L877-T880 PolarHBondContact O-OG1 2.73Å; D878-T880 PolarHBondContact O-N 3.41Å; T880-L908 HydrophobicContact CG2-CD1 4.07Å; T880-L925 HydrophobicContact CG2-CD1 4.03Å; T880-L925 HydrophobicContact CG2-CD2 4.05Å
881	L	78.3	Confident	71.1	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-88.2	-45.5	178.3	-61	171.9	0	0	0	110.8	L877 D878 L879 D883 R884 A890 S891 I893 M896	L877-L881 PolarHBondContact O-N 2.75Å; D878-L881 WeakPolarHBondContact O-CB 3.32Å; D878-L881 PolarHBondContact O-N 3.05Å; L879-L881 VanDerWaalsContact C-N 3.34Å; L881-D883 VanDerWaalsContact C-N 3.33Å; L881-D883 PolarHBondContact O-N 3.15Å; L881-R884 PolarHBondContact O-N 3.16Å; L881-A890 HydrophobicContact CB-CB 4.13Å; L881-A890 WeakPolarHBondContact O-CB 3.31Å; L881-S891 WeakPolarHBondContact CD1-O 3.26Å; L881-I893 HydrophobicContact CD1-CB 4.1Å; L881-I893 HydrophobicContact CD1-CD1 4.44Å; L881-M896 HydrophobicContact CD1-SD 4Å; L881-M896 HydrophobicContact CD2-CE 4.19Å; L881-M896 HydrophobicContact CD2-SD 3.84Å
882	F	66.8	Low	70.3	Confident	154 Å²	154	62.4 Å²	62.4	68%	0.675	34%	0.336	S	S	*	.	H	α-helix	trans	-59.5	-28.7	-173.7	-87.2	-78.3	0	0	0	116	D878	D878-F882 WeakPolarHBondContact O-CD2 3.32Å; D878-F882 PolarHBondContact O-N 2.79Å
883	D	56.8	Low	69.8	Low	64 Å²	64	61.4 Å²	61.4	34%	0.342	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	16	-177	-163.2	35	0	0	0	114.3	L881 K885 Q921	L881-D883 VanDerWaalsContact C-N 3.33Å; L881-D883 PolarHBondContact O-N 3.15Å; D883-K885 PolarHBondContact O-N 2.86Å; D883-K885 WeakPolarHBondContact OD1-CE 3.04Å; D883-K885 IonicContact OD1-NZ 2.75Å; D883-K885 IonicContact OD2-NZ 3.99Å; D883-Q921 PolarHBondContact OD2-NE2 3.34Å
884	R	57.1	Low	69.2	Low	136 Å²	136	61.7 Å²	61.7	51%	0.513	33%	0.333	S	S	.	.			trans	-76.3	87.3	173.9	-70	-169.7	178.1	-159.6	-0.5	111.3	L881 E886	L881-R884 PolarHBondContact O-N 3.16Å; R884-E886 PolarHBondContact O-N 2.91Å
885	K	44.4	Very low	68.3	Low	176 Å²	176	61.8 Å²	61.8	77%	0.765	33%	0.334	S	S	*	.			trans	-60.2	-5.8	-174.5	-69.8	170.8	-172.8	160.6	0	117.2	D883	D883-K885 PolarHBondContact O-N 2.86Å; D883-K885 WeakPolarHBondContact OD1-CE 3.04Å; D883-K885 IonicContact OD1-NZ 2.75Å; D883-K885 IonicContact OD2-NZ 3.99Å
886	E	40.5	Very low	67.6	Low	191 Å²	191	60.6 Å²	60.6	89%	0.893	33%	0.329	S	S	*	.	S	Bend	trans	-129.2	108.4	174	-68.5	-171.9	164.6	0	0	110.5	R884	R884-E886 PolarHBondContact O-N 2.91Å
887	G	44	Very low	66.8	Low	62 Å²	62	60.9 Å²	60.9	64%	0.639	33%	0.331	S	S	*	.	S	Bend	trans	147.4	173.5	179.6	0	0	0	0	0	112
888	P	44.2	Very low	66.1	Low	115 Å²	115	61 Å²	61	75%	0.747	33%	0.332	S	S	*	.	S	Bend	trans	-58.2	151	154.3	30	-34.1	0	0	0	108.7	A890	P888-A890 PolarHBondContact O-N 3.06Å
889	P	47.6	Very low	65.2	Low	119 Å²	119	60.5 Å²	60.5	77%	0.773	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-54	119.7	-179.3	23.2	-33.6	0	0	0	109.2	S891	P889-S891 PolarHBondContact O-N 3.44Å; P889-S891 VanDerWaalsContact O-N 3.12Å
890	A	50.1	Low	64.9	Low	30 Å²	30	60.7 Å²	60.7	25%	0.248	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-65	118.4	-169.9	0	0	0	0	0	109.4	L881 P888	L881-A890 HydrophobicContact CB-CB 4.13Å; L881-A890 WeakPolarHBondContact O-CB 3.31Å; P888-A890 PolarHBondContact O-N 3.06Å
891	S	64.2	Low	64.9	Low	39 Å²	39	59 Å²	59	27%	0.273	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-59.7	149	-177.2	48.4	0	0	0	0	111.6	E772 L881 P889 S895	E772-S891 VanDerWaalsContact CD-CB 3.43Å; E772-S891 WeakPolarHBondContact OE1-CA 3.28Å; E772-S891 WeakPolarHBondContact OE1-CB 3.37Å; E772-S891 WeakPolarHBondContact OE2-CB 3.35Å; L881-S891 WeakPolarHBondContact CD1-O 3.26Å; P889-S891 PolarHBondContact O-N 3.44Å; P889-S891 VanDerWaalsContact O-N 3.12Å; S891-S895 WeakPolarHBondContact CB-OG 2.98Å; S891-S895 PolarHBondContact OG-OG 3.34Å
892	S	75.1	Confident	65	Low	19 Å²	19	59.7 Å²	59.7	13%	0.133	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-49.4	154.5	-177.2	174.6	0	0	0	0	112.7	E772 D878 Y894 S895	E772-S892 VanDerWaalsContact CD-N 3.25Å; E772-S892 PolarHBondContact OE1-N 3.46Å; E772-S892 WeakPolarHBondContact OE2-CB 3.24Å; E772-S892 PolarHBondContact OE2-N 2.91Å; D878-S892 VanDerWaalsContact OD1-CA 3.22Å; D878-S892 WeakPolarHBondContact OD1-CA 3.47Å; D878-S892 WeakPolarHBondContact OD1-CB 3.18Å; D878-S892 PolarHBondContact OD1-OG 3.13Å; S892-Y894 PolarHBondContact O-N 2.95Å; S892-S895 WeakPolarHBondContact O-CB 3.45Å; S892-S895 PolarHBondContact O-N 2.86Å; S892-S895 PolarHBondContact O-OG 3.46Å
893	I	83.7	Confident	65.6	Low	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-25.3	176.4	-166.7	61.6	0	0	0	113.2	L843 I874 L877 D878 L881 M896 V901	L843-I893 HydrophobicContact CD2-CG1 4.22Å; L843-I893 HydrophobicContact CD2-CG2 3.73Å; I874-I893 HydrophobicContact CG2-CG2 3.93Å; L877-I893 HydrophobicContact CB-CB 4.31Å; L877-I893 HydrophobicContact CB-CD1 3.95Å; L877-I893 HydrophobicContact CB-CG1 3.88Å; L877-I893 HydrophobicContact CD1-CD1 4.17Å; L877-I893 HydrophobicContact CD1-CG1 4.09Å; L877-I893 HydrophobicContact CD2-CD1 4.42Å; L877-I893 HydrophobicContact CG-CD1 4.41Å; D878-I893 WeakPolarHBondContact OD1-CG2 2.47Å; D878-I893 PolarHBondContact OD1-N 3.46Å; L881-I893 HydrophobicContact CD1-CB 4.1Å; L881-I893 HydrophobicContact CD1-CD1 4.44Å; I893-M896 HydrophobicContact CD1-CG 4.4Å; I893-M896 HydrophobicContact CD1-SD 3.88Å; I893-M896 WeakPolarHBondContact O-CB 3.5Å; I893-M896 PolarHBondContact O-N 3.49Å; I893-V901 HydrophobicContact CD1-CB 4.26Å; I893-V901 HydrophobicContact CD1-CG1 4.33Å; I893-V901 HydrophobicContact CD1-CG2 3.84Å; I893-V901 HydrophobicContact CG1-CG2 4.14Å
894	Y	81.5	Confident	67	Low	10 Å²	10	52.4 Å²	52.4	4%	0.039	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.1	175	-71.1	-67.8	0	0	0	116.5	K774 R777 D837 P839 A840 L843 I874 S892	K774-Y894 HydrophobicContact CD-CD1 4.24Å; K774-Y894 HydrophobicContact CD-CD2 4.46Å; K774-Y894 HydrophobicContact CD-CG 3.87Å; K774-Y894 VanDerWaalsContact CE-CB 3.43Å; K774-Y894 VanDerWaalsContact NZ-CG 3.32Å; R777-Y894 PolarHBondContact NH1-O 3.25Å; D837-Y894 VanDerWaalsContact OD2-CE2 3.32Å; D837-Y894 WeakPolarHBondContact OD2-CE2 3.48Å; D837-Y894 PolarHBondContact OD2-OH 3.41Å; P839-Y894 HydrophobicContact CB-CD1 4.09Å; P839-Y894 HydrophobicContact CB-CE1 4.14Å; P839-Y894 HydrophobicContact CG-CD1 4.29Å; P839-Y894 HydrophobicContact CG-CE1 4.27Å; A840-Y894 WeakPolarHBondContact CA-OH 3.38Å; A840-Y894 WeakPolarHBondContact CB-OH 3.38Å; L843-Y894 HydrophobicContact CB-CD1 4.32Å; L843-Y894 HydrophobicContact CB-CE1 3.83Å; L843-Y894 HydrophobicContact CD2-CD1 3.78Å; L843-Y894 HydrophobicContact CD2-CE1 3.44Å; L843-Y894 VanDerWaalsContact CD2-CE1 3.44Å; L843-Y894 HydrophobicContact CD2-CG 4.43Å; L843-Y894 HydrophobicContact CG-CE1 4.28Å; I874-Y894 HydrophobicContact CG2-CE2 4.2Å; S892-Y894 PolarHBondContact O-N 2.95Å
895	S	73.7	Confident	68.5	Low	12 Å²	12	45.9 Å²	45.9	8%	0.084	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.1	170.6	67.1	0	0	0	0	112	E772 S891 S892	E772-S895 WeakPolarHBondContact OE2-CB 2.54Å; S891-S895 WeakPolarHBondContact CB-OG 2.98Å; S891-S895 PolarHBondContact OG-OG 3.34Å; S892-S895 WeakPolarHBondContact O-CB 3.45Å; S892-S895 PolarHBondContact O-N 2.86Å; S892-S895 PolarHBondContact O-OG 3.46Å
896	M	76.8	Confident	70.6	Confident	29 Å²	29	39 Å²	39	14%	0.143	24%	0.239	C	C	.	.	S	Bend	trans	-70.7	141	-174.8	-57	-157.5	100.6	0	0	111.3	R777 L881 I893 Q900 V901 Q904	R777-M896 VanDerWaalsContact CZ-O 3.27Å; R777-M896 PolarHBondContact NH1-O 2.85Å; R777-M896 PolarHBondContact NH2-O 2.79Å; L881-M896 HydrophobicContact CD1-SD 4Å; L881-M896 HydrophobicContact CD2-CE 4.19Å; L881-M896 HydrophobicContact CD2-SD 3.84Å; I893-M896 HydrophobicContact CD1-CG 4.4Å; I893-M896 HydrophobicContact CD1-SD 3.88Å; I893-M896 WeakPolarHBondContact O-CB 3.5Å; I893-M896 PolarHBondContact O-N 3.49Å; M896-Q900 HydrophobicContact CB-CB 3.94Å; M896-Q900 HydrophobicContact CE-CB 3.77Å; M896-Q900 HydrophobicContact CE-CG 4.4Å; M896-Q900 HydrophobicContact SD-CB 4.19Å; M896-V901 HydrophobicContact CB-CG2 4.09Å; M896-Q904 HydrophobicContact CE-CG 4.28Å; M896-Q904 HydrophobicContact SD-CG 3.99Å
897	S	74	Confident	72.8	Confident	5 Å²	5	31.5 Å²	31.5	4%	0.035	21%	0.205	C	C	.	.			trans	-58.9	144.3	168.4	61	0	0	0	0	110.9	D560 T899 Q900 V901	D560-S897 WeakPolarHBondContact OD1-CB 3.42Å; D560-S897 WeakPolarHBondContact OD2-CB 3.45Å; S897-T899 CarbonylContact O-C 3.42Å; S897-T899 PolarHBondContact O-N 3.46Å; S897-Q900 PolarHBondContact O-N 3.21Å; S897-Q900 VanDerWaalsContact OG-CG 3.31Å; S897-Q900 WeakPolarHBondContact OG-CG 3.12Å; S897-Q900 PolarHBondContact OG-N 3.2Å; S897-Q900 PolarHBondContact OG-OE1 2.62Å; S897-V901 WeakPolarHBondContact O-CG2 3.35Å; S897-V901 PolarHBondContact O-N 3.4Å
898	P	77.1	Confident	75	Confident	4 Å²	4	29 Å²	29	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-41.7	-28.1	170.5	-26.4	26.2	0	0	0	116	L557 D560 V563 W763 E846 K902	L557-P898 HydrophobicContact CD2-CB 3.78Å; L557-P898 HydrophobicContact CD2-CG 4.23Å; D560-P898 HydrophobicContact CB-CB 4.27Å; D560-P898 HydrophobicContact CB-CG 3.9Å; D560-P898 VanDerWaalsContact OD2-CA 3.24Å; D560-P898 WeakPolarHBondContact OD2-CA 3.1Å; D560-P898 WeakPolarHBondContact OD2-CB 2.94Å; D560-P898 WeakPolarHBondContact OD2-CD 3.19Å; D560-P898 WeakPolarHBondContact OD2-CG 2.56Å; V563-P898 HydrophobicContact CG2-CB 4.49Å; W763-P898 HydrophobicContact CH2-CG 4.13Å; W763-P898 HydrophobicContact CZ3-CG 4.05Å; E846-P898 HydrophobicContact CG-CB 4.19Å; E846-P898 HydrophobicContact CG-CG 4.28Å; E846-P898 WeakPolarHBondContact OE2-CA 3.43Å; E846-P898 WeakPolarHBondContact OE2-CB 3.48Å; E846-P898 WeakPolarHBondContact OE2-CG 2.46Å; P898-K902 WeakPolarHBondContact O-CB 3.46Å; P898-K902 PolarHBondContact O-N 3.04Å
899	T	68.1	Low	77.2	Confident	14 Å²	14	23.7 Å²	23.7	9%	0.086	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-57.1	170.1	-48.7	0	0	0	0	112.4	D560 E562 V563 F576 S897 V901 K902 S903	D560-T899 PolarHBondContact OD1-OG1 2.75Å; D560-T899 PolarHBondContact OD2-N 3.45Å; D560-T899 PolarHBondContact OD2-OG1 3.09Å; E562-T899 WeakPolarHBondContact CA-OG1 3.19Å; E562-T899 HydrophobicContact CB-CG2 3.66Å; E562-T899 VanDerWaalsContact CB-OG1 3.27Å; E562-T899 WeakPolarHBondContact CB-OG1 3.19Å; E562-T899 WeakPolarHBondContact O-CG2 3.48Å; V563-T899 WeakPolarHBondContact CA-OG1 3.42Å; V563-T899 VanDerWaalsContact CG2-OG1 3.3Å; V563-T899 WeakPolarHBondContact CG2-OG1 3.32Å; V563-T899 PolarHBondContact N-OG1 2.84Å; F576-T899 HydrophobicContact CE2-CG2 4.35Å; F576-T899 HydrophobicContact CZ-CG2 4.26Å; S897-T899 CarbonylContact O-C 3.42Å; S897-T899 PolarHBondContact O-N 3.46Å; T899-V901 VanDerWaalsContact C-N 3.26Å; T899-V901 PolarHBondContact O-N 3.3Å; T899-K902 PolarHBondContact O-N 3.13Å; T899-K902 VanDerWaalsContact O-N 3.13Å; T899-S903 WeakPolarHBondContact O-CB 3.49Å; T899-S903 PolarHBondContact O-N 3.28Å
900	Q	76.4	Confident	79	Confident	56 Å²	56	20.2 Å²	20.2	26%	0.262	12%	0.121	S	C	.	.	H	α-helix	trans	-67.3	-36.9	-176.8	-70.9	154.6	-15.3	0	0	108	E562 F576 M896 S897 S903 Q904	E562-Q900 PolarHBondContact OE2-NE2 2.73Å; F576-Q900 HydrophobicContact CZ-CG 4.06Å; M896-Q900 HydrophobicContact CB-CB 3.94Å; M896-Q900 HydrophobicContact CE-CB 3.77Å; M896-Q900 HydrophobicContact CE-CG 4.4Å; M896-Q900 HydrophobicContact SD-CB 4.19Å; S897-Q900 PolarHBondContact O-N 3.21Å; S897-Q900 VanDerWaalsContact OG-CG 3.31Å; S897-Q900 WeakPolarHBondContact OG-CG 3.12Å; S897-Q900 PolarHBondContact OG-N 3.2Å; S897-Q900 PolarHBondContact OG-OE1 2.62Å; Q900-S903 PolarHBondContact O-N 3.42Å; Q900-Q904 VanDerWaalsContact O-CB 3.32Å; Q900-Q904 WeakPolarHBondContact O-CB 3.43Å; Q900-Q904 WeakPolarHBondContact O-CG 3.42Å; Q900-Q904 PolarHBondContact O-N 2.86Å
901	V	83	Confident	80.6	Confident	2 Å²	2	20.9 Å²	20.9	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-54.3	-52.4	167.2	178	0	0	0	0	111.5	L843 L847 I893 M896 S897 T899 S903 L905	L843-V901 HydrophobicContact CD1-CB 4.37Å; L843-V901 HydrophobicContact CD1-CG1 3.72Å; L843-V901 HydrophobicContact CD1-CG2 3.74Å; L847-V901 HydrophobicContact CD2-CG1 3.59Å; L847-V901 HydrophobicContact CG-CG1 4.2Å; I893-V901 HydrophobicContact CD1-CB 4.26Å; I893-V901 HydrophobicContact CD1-CG1 4.33Å; I893-V901 HydrophobicContact CD1-CG2 3.84Å; I893-V901 HydrophobicContact CG1-CG2 4.14Å; M896-V901 HydrophobicContact CB-CG2 4.09Å; S897-V901 WeakPolarHBondContact O-CG2 3.35Å; S897-V901 PolarHBondContact O-N 3.4Å; T899-V901 VanDerWaalsContact C-N 3.26Å; T899-V901 PolarHBondContact O-N 3.3Å; V901-S903 PolarHBondContact O-N 2.94Å; V901-L905 VanDerWaalsContact O-CB 3.26Å; V901-L905 WeakPolarHBondContact O-CB 3.5Å; V901-L905 PolarHBondContact O-N 3.36Å
902	K	80.9	Confident	81	Confident	17 Å²	17	24.5 Å²	24.5	7%	0.074	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-40.6	178.5	173.3	171.4	172	-85.5	0	113.1	D566 A850 F854 P898 T899 L905 H906	D566-K902 IonicContact OD2-NZ 3.46Å; D566-K902 PolarHBondContact OD2-NZ 3.37Å; A850-K902 HydrophobicContact CB-CB 4.42Å; A850-K902 HydrophobicContact CB-CG 4.24Å; F854-K902 HydrophobicContact CE2-CG 4.17Å; F854-K902 HydrophobicContact CZ-CD 4.38Å; F854-K902 HydrophobicContact CZ-CG 3.68Å; P898-K902 WeakPolarHBondContact O-CB 3.46Å; P898-K902 PolarHBondContact O-N 3.04Å; T899-K902 PolarHBondContact O-N 3.13Å; T899-K902 VanDerWaalsContact O-N 3.13Å; K902-L905 PolarHBondContact O-N 2.85Å; K902-H906 PolarHBondContact O-N 2.98Å
903	S	78.6	Confident	80.9	Confident	47 Å²	47	28.2 Å²	28.2	33%	0.329	15%	0.149	S	C	.	.	H	α-helix	trans	-70.8	-43.7	-179.6	-176.4	0	0	0	0	111.8	T899 Q900 V901 L905 H906 D907	T899-S903 WeakPolarHBondContact O-CB 3.49Å; T899-S903 PolarHBondContact O-N 3.28Å; Q900-S903 PolarHBondContact O-N 3.42Å; V901-S903 PolarHBondContact O-N 2.94Å; S903-L905 VanDerWaalsContact C-N 3.29Å; S903-L905 PolarHBondContact O-N 3.41Å; S903-H906 PolarHBondContact O-N 2.96Å; S903-D907 PolarHBondContact O-N 2.85Å
904	Q	85.4	Confident	80.6	Confident	17 Å²	17	29.5 Å²	29.5	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-35.3	173.8	-61.1	-82.9	38.9	0	0	111	L877 M896 Q900 D907 L908	L877-Q904 HydrophobicContact CD2-CB 3.88Å; M896-Q904 HydrophobicContact CE-CG 4.28Å; M896-Q904 HydrophobicContact SD-CG 3.99Å; Q900-Q904 VanDerWaalsContact O-CB 3.32Å; Q900-Q904 WeakPolarHBondContact O-CB 3.43Å; Q900-Q904 WeakPolarHBondContact O-CG 3.42Å; Q900-Q904 PolarHBondContact O-N 2.86Å; Q904-D907 PolarHBondContact O-N 2.8Å; Q904-L908 WeakPolarHBondContact O-CB 3.4Å; Q904-L908 PolarHBondContact O-N 3.13Å
905	L	90	Very high	80.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-40.5	172.4	177.1	63.5	0	0	0	112.4	L847 A850 L851 F854 L873 L877 V901 K902 S903 L909	L847-L905 HydrophobicContact CD2-CD2 3.91Å; A850-L905 HydrophobicContact CB-CD2 3.71Å; L851-L905 HydrophobicContact CD2-CD1 4.3Å; L851-L905 HydrophobicContact CD2-CD2 4.09Å; L851-L905 HydrophobicContact CG-CD2 4.09Å; F854-L905 HydrophobicContact CD2-CD2 4.24Å; F854-L905 HydrophobicContact CD2-CG 4.49Å; F854-L905 HydrophobicContact CE2-CD2 4.01Å; F854-L905 HydrophobicContact CE2-CG 4.15Å; L873-L905 HydrophobicContact CD1-CD1 3.73Å; L873-L905 HydrophobicContact CD2-CD1 3.82Å; L873-L905 HydrophobicContact CG-CD1 4.09Å; L877-L905 HydrophobicContact CD2-CB 4.48Å; V901-L905 VanDerWaalsContact O-CB 3.26Å; V901-L905 WeakPolarHBondContact O-CB 3.5Å; V901-L905 PolarHBondContact O-N 3.36Å; K902-L905 PolarHBondContact O-N 2.85Å; S903-L905 VanDerWaalsContact C-N 3.29Å; S903-L905 PolarHBondContact O-N 3.41Å; L905-L909 HydrophobicContact CD1-CD1 3.81Å; L905-L909 HydrophobicContact CD1-CG 3.96Å; L905-L909 HydrophobicContact CG-CD1 3.95Å; L905-L909 HydrophobicContact CG-CG 4.45Å; L905-L909 WeakPolarHBondContact O-CB 3.49Å; L905-L909 VanDerWaalsContact O-CG 3.27Å; L905-L909 WeakPolarHBondContact O-CG 3.44Å; L905-L909 PolarHBondContact O-N 2.75Å
906	H	87.9	Confident	80.7	Confident	30 Å²	30	39.6 Å²	39.6	14%	0.139	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-47.4	173.9	-170.1	-78.7	0	0	0	111.4	F854 E858 K902 S903 L908 L909 S910	F854-H906 HydrophobicContact CE1-CB 4.4Å; F854-H906 AromaticContact CE1-CD2 3.64Å; F854-H906 HydrophobicContact CE2-CB 4.35Å; F854-H906 HydrophobicContact CZ-CB 3.87Å; F854-H906 AromaticContact CZ-CD2 3.99Å; E858-H906 IonicContact OE1-CD2 3.67Å; E858-H906 IonicContact OE1-NE2 2.62Å; E858-H906 PolarHBondContact OE1-NE2 3.5Å; E858-H906 IonicContact OE2-CD2 2.73Å; E858-H906 IonicContact OE2-CE1 3.72Å; E858-H906 IonicContact OE2-NE2 2.77Å; E858-H906 PolarHBondContact OE2-NE2 3.19Å; K902-H906 PolarHBondContact O-N 2.98Å; S903-H906 PolarHBondContact O-N 2.96Å; H906-L908 VanDerWaalsContact C-N 3.3Å; H906-L908 PolarHBondContact O-N 3.1Å; H906-L909 PolarHBondContact O-N 3.22Å; H906-S910 VanDerWaalsContact O-CB 3.24Å; H906-S910 WeakPolarHBondContact O-CB 3.23Å; H906-S910 PolarHBondContact O-N 3.45Å; H906-S910 PolarHBondContact O-OG 2.71Å
907	D	85.7	Confident	81	Confident	34 Å²	34	40 Å²	40	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-36.6	179.1	-78.2	13.5	0	0	0	112.2	S903 Q904 S910 M911 K912	S903-D907 PolarHBondContact O-N 2.85Å; Q904-D907 PolarHBondContact O-N 2.8Å; D907-S910 WeakPolarHBondContact CA-OG 3.41Å; D907-S910 PolarHBondContact O-OG 3.37Å; D907-M911 PolarHBondContact O-N 2.61Å; D907-K912 HydrophobicContact CB-CB 4.24Å; D907-K912 HydrophobicContact CB-CD 3.91Å; D907-K912 WeakPolarHBondContact O-CB 3.32Å; D907-K912 PolarHBondContact O-N 2.74Å; D907-K912 WeakPolarHBondContact OD1-CD 3.09Å; D907-K912 WeakPolarHBondContact OD1-CE 3.39Å; D907-K912 IonicContact OD1-NZ 2.75Å; D907-K912 PolarHBondContact OD1-NZ 3.32Å; D907-K912 WeakPolarHBondContact OD2-CD 3.42Å; D907-K912 IonicContact OD2-NZ 3.72Å; D907-K912 PolarHBondContact OD2-NZ 2.66Å
908	L	90.7	Very high	81.5	Confident	9 Å²	9	42.2 Å²	42.2	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-52.4	172.8	174.8	59.4	0	0	0	112.1	L873 A876 L877 T880 Q904 H906 S910 M911 L925 L929	L873-L908 HydrophobicContact CD1-CD2 4.06Å; A876-L908 HydrophobicContact CB-CD2 3.99Å; L877-L908 HydrophobicContact CD2-CB 4.46Å; L877-L908 HydrophobicContact CD2-CD2 3.79Å; L877-L908 HydrophobicContact CG-CD2 3.92Å; T880-L908 HydrophobicContact CG2-CD1 4.07Å; Q904-L908 WeakPolarHBondContact O-CB 3.4Å; Q904-L908 PolarHBondContact O-N 3.13Å; H906-L908 VanDerWaalsContact C-N 3.3Å; H906-L908 PolarHBondContact O-N 3.1Å; L908-S910 VanDerWaalsContact C-N 3.33Å; L908-S910 PolarHBondContact O-N 2.95Å; L908-M911 PolarHBondContact O-N 3.49Å; L908-M911 VanDerWaalsContact O-N 3.13Å; L908-L925 HydrophobicContact CD1-CD1 4.3Å; L908-L925 HydrophobicContact CD1-CD2 4.09Å; L908-L929 HydrophobicContact CD1-CD1 3.95Å; L908-L929 HydrophobicContact CD2-CD2 4.14Å; L908-L929 HydrophobicContact CG-CD1 4.15Å; L908-L929 HydrophobicContact CG-CD2 4.19Å
909	L	90.5	Very high	81.9	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-35.3	-178.3	-72	172.8	0	0	0	112.8	L851 F854 L861 F862 I865 L905 H906 M911 L929 R931	L851-L909 HydrophobicContact CD2-CD1 4.15Å; F854-L909 HydrophobicContact CD2-CD1 4.39Å; L861-L909 HydrophobicContact CB-CB 4.19Å; L861-L909 HydrophobicContact CD2-CB 4.42Å; F862-L909 HydrophobicContact CE1-CD1 4.35Å; F862-L909 HydrophobicContact CZ-CD1 4.02Å; I865-L909 HydrophobicContact CD1-CD2 3.79Å; L905-L909 HydrophobicContact CD1-CD1 3.81Å; L905-L909 HydrophobicContact CD1-CG 3.96Å; L905-L909 HydrophobicContact CG-CD1 3.95Å; L905-L909 HydrophobicContact CG-CG 4.45Å; L905-L909 WeakPolarHBondContact O-CB 3.49Å; L905-L909 VanDerWaalsContact O-CG 3.27Å; L905-L909 WeakPolarHBondContact O-CG 3.44Å; L905-L909 PolarHBondContact O-N 2.75Å; H906-L909 PolarHBondContact O-N 3.22Å; L909-M911 PolarHBondContact O-N 3.11Å; L909-L929 HydrophobicContact CD2-CD2 4.17Å; L909-R931 PolarHBondContact O-NH1 3.37Å; L909-R931 PolarHBondContact O-NH2 3.41Å
910	S	86.8	Confident	82.8	Confident	47 Å²	47	43.8 Å²	43.8	33%	0.329	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.3	176	63.1	0	0	0	0	113.8	H906 D907 L908 K912	H906-S910 VanDerWaalsContact O-CB 3.24Å; H906-S910 WeakPolarHBondContact O-CB 3.23Å; H906-S910 PolarHBondContact O-N 3.45Å; H906-S910 PolarHBondContact O-OG 2.71Å; D907-S910 WeakPolarHBondContact CA-OG 3.41Å; D907-S910 PolarHBondContact O-OG 3.37Å; L908-S910 VanDerWaalsContact C-N 3.33Å; L908-S910 PolarHBondContact O-N 2.95Å; S910-K912 PolarHBondContact O-N 3.35Å
911	M	83.1	Confident	83.3	Confident	44 Å²	44	43.1 Å²	43.1	22%	0.217	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	38.8	-178	-48.4	-65	-95.8	0	0	112.1	D907 L908 L909 N913 F914 N926 L929 R931	D907-M911 PolarHBondContact O-N 2.61Å; L908-M911 PolarHBondContact O-N 3.49Å; L908-M911 VanDerWaalsContact O-N 3.13Å; L909-M911 PolarHBondContact O-N 3.11Å; M911-N913 PolarHBondContact O-N 3.44Å; M911-F914 HydrophobicContact CB-CB 3.87Å; M911-F914 HydrophobicContact CB-CD2 4.16Å; M911-F914 HydrophobicContact CB-CG 4.11Å; M911-F914 HydrophobicContact CE-CD1 3.9Å; M911-F914 HydrophobicContact CE-CD2 3.67Å; M911-F914 HydrophobicContact CE-CE1 3.57Å; M911-F914 HydrophobicContact CE-CE2 3.33Å; M911-F914 HydrophobicContact CE-CG 3.95Å; M911-F914 HydrophobicContact CE-CZ 3.27Å; M911-F914 VanDerWaalsContact O-CB 3.27Å; M911-F914 WeakPolarHBondContact O-CB 3.38Å; M911-F914 PolarHBondContact O-N 3.23Å; M911-F914 HydrophobicContact SD-CD2 3.86Å; M911-F914 HydrophobicContact SD-CE2 3.81Å; M911-F914 HydrophobicContact SD-CG 4.46Å; M911-F914 HydrophobicContact SD-CZ 4.36Å; M911-N926 WeakPolarHBondContact CE-OD1 3.26Å; M911-L929 HydrophobicContact SD-CD1 4.3Å; M911-R931 PolarHBondContact SD-NH1 3.08Å
912	K	72.3	Confident	83.6	Confident	115 Å²	115	45.1 Å²	45.1	50%	0.5	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	131.5	-179.3	-153.1	-178.6	-173.4	-178.8	0	109	D907 S910 F914	D907-K912 HydrophobicContact CB-CB 4.24Å; D907-K912 HydrophobicContact CB-CD 3.91Å; D907-K912 WeakPolarHBondContact O-CB 3.32Å; D907-K912 PolarHBondContact O-N 2.74Å; D907-K912 WeakPolarHBondContact OD1-CD 3.09Å; D907-K912 WeakPolarHBondContact OD1-CE 3.39Å; D907-K912 IonicContact OD1-NZ 2.75Å; D907-K912 PolarHBondContact OD1-NZ 3.32Å; D907-K912 WeakPolarHBondContact OD2-CD 3.42Å; D907-K912 IonicContact OD2-NZ 3.72Å; D907-K912 PolarHBondContact OD2-NZ 2.66Å; S910-K912 PolarHBondContact O-N 3.35Å; K912-F914 PolarHBondContact O-N 2.86Å; K912-F914 VanDerWaalsContact O-N 3.17Å
913	N	72.4	Confident	84.1	Confident	97 Å²	97	44.5 Å²	44.5	52%	0.519	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	9.9	-174.5	-45.3	-50.3	0	0	0	116	M911 G915 Q916	M911-N913 PolarHBondContact O-N 3.44Å; N913-G915 PolarHBondContact O-N 3.45Å; N913-G915 VanDerWaalsContact O-N 3.07Å; N913-Q916 HydrophobicContact CB-CG 4.5Å; N913-Q916 VanDerWaalsContact O-CB 3.29Å; N913-Q916 WeakPolarHBondContact O-CB 3.39Å; N913-Q916 PolarHBondContact O-N 2.99Å
914	F	78.9	Confident	84.7	Confident	26 Å²	26	44.2 Å²	44.2	11%	0.114	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-57.7	-31.7	-171.9	-151.5	-100.3	0	0	0	114.4	M911 K912 Q916 L917 Q922 L925 N926	M911-F914 HydrophobicContact CB-CB 3.87Å; M911-F914 HydrophobicContact CB-CD2 4.16Å; M911-F914 HydrophobicContact CB-CG 4.11Å; M911-F914 HydrophobicContact CE-CD1 3.9Å; M911-F914 HydrophobicContact CE-CD2 3.67Å; M911-F914 HydrophobicContact CE-CE1 3.57Å; M911-F914 HydrophobicContact CE-CE2 3.33Å; M911-F914 HydrophobicContact CE-CG 3.95Å; M911-F914 HydrophobicContact CE-CZ 3.27Å; M911-F914 VanDerWaalsContact O-CB 3.27Å; M911-F914 WeakPolarHBondContact O-CB 3.38Å; M911-F914 PolarHBondContact O-N 3.23Å; M911-F914 HydrophobicContact SD-CD2 3.86Å; M911-F914 HydrophobicContact SD-CE2 3.81Å; M911-F914 HydrophobicContact SD-CG 4.46Å; M911-F914 HydrophobicContact SD-CZ 4.36Å; K912-F914 PolarHBondContact O-N 2.86Å; K912-F914 VanDerWaalsContact O-N 3.17Å; F914-Q916 PolarHBondContact O-N 3.15Å; F914-Q916 VanDerWaalsContact O-N 3.17Å; F914-L917 HydrophobicContact CD2-CD1 3.7Å; F914-L917 HydrophobicContact CE2-CD1 3.98Å; F914-L917 HydrophobicContact CG-CD1 4.2Å; F914-L917 WeakPolarHBondContact O-CB 3.29Å; F914-L917 PolarHBondContact O-N 3.04Å; F914-L917 VanDerWaalsContact O-N 3.11Å; F914-Q922 HydrophobicContact CD1-CB 4.33Å; F914-Q922 HydrophobicContact CD1-CG 3.74Å; F914-Q922 HydrophobicContact CE1-CB 3.52Å; F914-Q922 HydrophobicContact CE1-CG 3.43Å; F914-Q922 VanDerWaalsContact CE1-CG 3.43Å; F914-Q922 HydrophobicContact CZ-CB 3.92Å; F914-Q922 HydrophobicContact CZ-CG 4.06Å; F914-Q922 PolarHBondContact O-NE2 2.82Å; F914-L925 HydrophobicContact CD2-CD1 4.44Å; F914-L925 HydrophobicContact CE2-CB 3.86Å; F914-L925 HydrophobicContact CE2-CD1 3.78Å; F914-L925 HydrophobicContact CE2-CG 4.48Å; F914-L925 HydrophobicContact CZ-CB 4.15Å; F914-N926 VanDerWaalsContact CE1-ND2 3.34Å; F914-N926 WeakPolarHBondContact CE1-ND2 3.47Å; F914-N926 WeakPolarHBondContact CZ-ND2 3.32Å
915	G	75.9	Confident	85	Confident	78 Å²	78	43.8 Å²	43.8	80%	0.804	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-69.3	-1.2	173.7	0	0	0	0	0	115.7	N913	N913-G915 PolarHBondContact O-N 3.45Å; N913-G915 VanDerWaalsContact O-N 3.07Å
916	Q	80.4	Confident	85.1	Confident	157 Å²	157	44.9 Å²	44.9	73%	0.734	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-97.7	-13.2	171.7	-57.2	173.1	9	0	0	112.1	N913 F914	N913-Q916 HydrophobicContact CB-CG 4.5Å; N913-Q916 VanDerWaalsContact O-CB 3.29Å; N913-Q916 WeakPolarHBondContact O-CB 3.39Å; N913-Q916 PolarHBondContact O-N 2.99Å; F914-Q916 PolarHBondContact O-N 3.15Å; F914-Q916 VanDerWaalsContact O-N 3.17Å
917	L	82.3	Confident	85.3	Confident	38 Å²	38	43.5 Å²	43.5	20%	0.199	24%	0.242	C	C	.	.	S	Bend	trans	-82.2	147.8	179.8	-57.2	178.1	0	0	0	111.1	F914 Q921 Q922 L925 Y1044	F914-L917 HydrophobicContact CD2-CD1 3.7Å; F914-L917 HydrophobicContact CE2-CD1 3.98Å; F914-L917 HydrophobicContact CG-CD1 4.2Å; F914-L917 WeakPolarHBondContact O-CB 3.29Å; F914-L917 PolarHBondContact O-N 3.04Å; F914-L917 VanDerWaalsContact O-N 3.11Å; L917-Q921 HydrophobicContact CB-CB 4.09Å; L917-Q922 HydrophobicContact CB-CG 3.92Å; L917-Q922 PolarHBondContact O-NE2 2.99Å; L917-L925 HydrophobicContact CD1-CD1 3.6Å; L917-Y1044 PolarHBondContact O-OH 2.85Å
918	S	85.4	Confident	85.6	Confident	50 Å²	50	41.9 Å²	41.9	35%	0.35	23%	0.233	S	C	.	.			trans	-65.9	156.6	172.5	68.2	0	0	0	0	112.2	L920 Q921 Q922	S918-L920 PolarHBondContact O-N 3.43Å; S918-L920 VanDerWaalsContact O-N 3.14Å; S918-Q921 PolarHBondContact O-N 3.26Å; S918-Q921 VanDerWaalsContact O-N 3.09Å; S918-Q921 WeakPolarHBondContact OG-CG 3.43Å; S918-Q921 PolarHBondContact OG-N 2.89Å; S918-Q921 PolarHBondContact OG-OE1 2.96Å; S918-Q922 WeakPolarHBondContact O-CG 3.36Å; S918-Q922 PolarHBondContact O-N 3.31Å
919	A	85.4	Confident	85.7	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-55.1	-34.7	179.1	0	0	0	0	0	113.4	Q922 R923 T1042 Y1044	A919-Q922 PolarHBondContact O-N 2.93Å; A919-R923 WeakPolarHBondContact O-CG 3.4Å; A919-R923 PolarHBondContact O-N 3.2Å; A919-T1042 VanDerWaalsContact CB-O 3.28Å; A919-T1042 WeakPolarHBondContact CB-O 3.47Å; A919-Y1044 HydrophobicContact CB-CD1 3.62Å; A919-Y1044 HydrophobicContact CB-CD2 4.23Å; A919-Y1044 HydrophobicContact CB-CE1 3.68Å; A919-Y1044 HydrophobicContact CB-CE2 4.3Å; A919-Y1044 HydrophobicContact CB-CG 3.9Å
920	L	87.5	Confident	85.8	Confident	48 Å²	48	41.7 Å²	41.7	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-50.1	176.1	177.9	61	0	0	0	111.2	S918 Q922 R923 Q924 E989 L1041	S918-L920 PolarHBondContact O-N 3.43Å; S918-L920 VanDerWaalsContact O-N 3.14Å; L920-Q922 VanDerWaalsContact C-N 3.31Å; L920-Q922 PolarHBondContact O-N 3.32Å; L920-R923 WeakPolarHBondContact O-CB 3.33Å; L920-R923 PolarHBondContact O-N 2.97Å; L920-R923 VanDerWaalsContact O-N 3.1Å; L920-Q924 HydrophobicContact CD1-CG 4.32Å; L920-Q924 WeakPolarHBondContact O-CG 3.26Å; L920-Q924 PolarHBondContact O-N 3.4Å; L920-E989 HydrophobicContact CD1-CB 4.13Å; L920-E989 HydrophobicContact CD1-CG 4.02Å; L920-L1041 HydrophobicContact CD1-CB 4.05Å
921	Q	87.2	Confident	86.1	Confident	41 Å²	41	41 Å²	41	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-40.4	175.6	-68.5	163.1	-59.7	0	0	111.4	D883 L917 S918 R923 Q924 L925	D883-Q921 PolarHBondContact OD2-NE2 3.34Å; L917-Q921 HydrophobicContact CB-CB 4.09Å; S918-Q921 PolarHBondContact O-N 3.26Å; S918-Q921 VanDerWaalsContact O-N 3.09Å; S918-Q921 WeakPolarHBondContact OG-CG 3.43Å; S918-Q921 PolarHBondContact OG-N 2.89Å; S918-Q921 PolarHBondContact OG-OE1 2.96Å; Q921-R923 VanDerWaalsContact C-N 3.28Å; Q921-R923 PolarHBondContact O-N 2.97Å; Q921-Q924 PolarHBondContact O-N 2.69Å; Q921-L925 WeakPolarHBondContact O-CB 3.49Å; Q921-L925 WeakPolarHBondContact O-CG 3.23Å; Q921-L925 PolarHBondContact O-N 2.99Å
922	Q	89.1	Confident	86.5	Confident	44 Å²	44	39.5 Å²	39.5	21%	0.206	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-36.4	174.8	-68.2	-171.6	28.6	0	0	112.1	F914 L917 S918 A919 L920 N926	F914-Q922 HydrophobicContact CD1-CB 4.33Å; F914-Q922 HydrophobicContact CD1-CG 3.74Å; F914-Q922 HydrophobicContact CE1-CB 3.52Å; F914-Q922 HydrophobicContact CE1-CG 3.43Å; F914-Q922 VanDerWaalsContact CE1-CG 3.43Å; F914-Q922 HydrophobicContact CZ-CB 3.92Å; F914-Q922 HydrophobicContact CZ-CG 4.06Å; F914-Q922 PolarHBondContact O-NE2 2.82Å; L917-Q922 HydrophobicContact CB-CG 3.92Å; L917-Q922 PolarHBondContact O-NE2 2.99Å; S918-Q922 WeakPolarHBondContact O-CG 3.36Å; S918-Q922 PolarHBondContact O-N 3.31Å; A919-Q922 PolarHBondContact O-N 2.93Å; L920-Q922 VanDerWaalsContact C-N 3.31Å; L920-Q922 PolarHBondContact O-N 3.32Å; Q922-N926 WeakPolarHBondContact O-CB 3.26Å; Q922-N926 PolarHBondContact O-N 2.92Å; Q922-N926 PolarHBondContact O-ND2 3.09Å
923	R	90.9	Very high	87.4	Confident	5 Å²	5	37 Å²	37	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-71.2	-46.1	173.2	-76.6	-173.2	175.8	112.5	9.4	112.5	A919 L920 Q921 L925 N926 G927 E989 Q992 E996 L1041 L1043 S1051	A919-R923 WeakPolarHBondContact O-CG 3.4Å; A919-R923 PolarHBondContact O-N 3.2Å; L920-R923 WeakPolarHBondContact O-CB 3.33Å; L920-R923 PolarHBondContact O-N 2.97Å; L920-R923 VanDerWaalsContact O-N 3.1Å; Q921-R923 VanDerWaalsContact C-N 3.28Å; Q921-R923 PolarHBondContact O-N 2.97Å; R923-L925 VanDerWaalsContact C-N 3.35Å; R923-L925 PolarHBondContact O-N 3.29Å; R923-N926 PolarHBondContact O-N 3.4Å; R923-G927 PolarHBondContact O-N 3Å; R923-E989 HydrophobicContact CB-CB 3.72Å; R923-Q992 HydrophobicContact CB-CB 4.03Å; R923-Q992 HydrophobicContact CB-CG 4.28Å; R923-Q992 HydrophobicContact CG-CB 4.07Å; R923-Q992 HydrophobicContact CG-CG 3.97Å; R923-E996 IonicContact CZ-OE1 2.66Å; R923-E996 VanDerWaalsContact CZ-OE1 3.24Å; R923-E996 IonicContact CZ-OE2 3.91Å; R923-E996 IonicContact NE-OE1 3.51Å; R923-E996 PolarHBondContact NE-OE1 2.94Å; R923-E996 IonicContact NE-OE2 2.69Å; R923-E996 VanDerWaalsContact NH2-CD 3.25Å; R923-E996 IonicContact NH2-OE1 3.51Å; R923-E996 PolarHBondContact NH2-OE1 3.1Å; R923-E996 IonicContact NH2-OE2 3.3Å; R923-E996 PolarHBondContact NH2-OE2 2.89Å; R923-L1041 VanDerWaalsContact NH1-C 3.29Å; R923-L1041 PolarHBondContact NH1-O 3.1Å; R923-L1043 VanDerWaalsContact CZ-O 3.23Å; R923-L1043 PolarHBondContact NH1-O 3.41Å; R923-L1043 PolarHBondContact NH2-O 3.11Å; R923-S1051 VanDerWaalsContact NH2-CB 3.33Å; R923-S1051 PolarHBondContact NH2-OG 2.97Å
924	Q	91.3	Very high	88	Confident	40 Å²	40	36.3 Å²	36.3	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-44	179.3	-73.3	172.5	-25.7	0	0	111.9	L879 L920 Q921 S928 P988 E989	L879-Q924 HydrophobicContact CD1-CB 4.2Å; L920-Q924 HydrophobicContact CD1-CG 4.32Å; L920-Q924 WeakPolarHBondContact O-CG 3.26Å; L920-Q924 PolarHBondContact O-N 3.4Å; Q921-Q924 PolarHBondContact O-N 2.69Å; Q924-S928 VanDerWaalsContact O-CB 3.31Å; Q924-S928 WeakPolarHBondContact O-CB 3.49Å; Q924-S928 PolarHBondContact O-N 3.46Å; Q924-S928 PolarHBondContact O-OG 3.21Å; Q924-P988 WeakPolarHBondContact O-CB 3.4Å; Q924-E989 HydrophobicContact CG-CB 4Å; Q924-E989 HydrophobicContact CG-CG 4.37Å; Q924-E989 PolarHBondContact NE2-OE1 3.44Å
925	L	92.3	Very high	88.3	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-72.5	-46.2	178.7	-65	179.7	0	0	0	112.9	A876 L879 T880 L908 F914 L917 Q921 R923 G927 S928 L929	A876-L925 HydrophobicContact CB-CD2 4.06Å; A876-L925 WeakPolarHBondContact O-CD2 3.46Å; L879-L925 HydrophobicContact CB-CD2 4.18Å; T880-L925 HydrophobicContact CG2-CD1 4.03Å; T880-L925 HydrophobicContact CG2-CD2 4.05Å; L908-L925 HydrophobicContact CD1-CD1 4.3Å; L908-L925 HydrophobicContact CD1-CD2 4.09Å; F914-L925 HydrophobicContact CD2-CD1 4.44Å; F914-L925 HydrophobicContact CE2-CB 3.86Å; F914-L925 HydrophobicContact CE2-CD1 3.78Å; F914-L925 HydrophobicContact CE2-CG 4.48Å; F914-L925 HydrophobicContact CZ-CB 4.15Å; L917-L925 HydrophobicContact CD1-CD1 3.6Å; Q921-L925 WeakPolarHBondContact O-CB 3.49Å; Q921-L925 WeakPolarHBondContact O-CG 3.23Å; Q921-L925 PolarHBondContact O-N 2.99Å; R923-L925 VanDerWaalsContact C-N 3.35Å; R923-L925 PolarHBondContact O-N 3.29Å; L925-G927 VanDerWaalsContact C-N 3.32Å; L925-G927 PolarHBondContact O-N 3.03Å; L925-S928 PolarHBondContact O-N 2.74Å; L925-L929 WeakPolarHBondContact O-CB 3.37Å; L925-L929 VanDerWaalsContact O-CG 3.27Å; L925-L929 WeakPolarHBondContact O-CG 3.41Å; L925-L929 PolarHBondContact O-N 3.07Å
926	N	91.4	Very high	89	Confident	24 Å²	24	36 Å²	36	13%	0.128	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-40.1	176.7	-79.5	-66.9	0	0	0	112	M911 F914 Q922 R923 L929 N930 R931 Q992	M911-N926 WeakPolarHBondContact CE-OD1 3.26Å; F914-N926 VanDerWaalsContact CE1-ND2 3.34Å; F914-N926 WeakPolarHBondContact CE1-ND2 3.47Å; F914-N926 WeakPolarHBondContact CZ-ND2 3.32Å; Q922-N926 WeakPolarHBondContact O-CB 3.26Å; Q922-N926 PolarHBondContact O-N 2.92Å; Q922-N926 PolarHBondContact O-ND2 3.09Å; R923-N926 PolarHBondContact O-N 3.4Å; N926-L929 PolarHBondContact O-N 3.09Å; N926-N930 PolarHBondContact O-N 2.95Å; N926-N930 VanDerWaalsContact O-N 3.17Å; N926-R931 PolarHBondContact O-N 3.35Å; N926-Q992 HydrophobicContact CB-CG 4.13Å
927	G	91.7	Very high	89.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-48.7	174.4	0	0	0	0	0	112.5	R923 L925 N930 P988	R923-G927 PolarHBondContact O-N 3Å; L925-G927 VanDerWaalsContact C-N 3.32Å; L925-G927 PolarHBondContact O-N 3.03Å; G927-N930 PolarHBondContact O-N 3.02Å; G927-N930 PolarHBondContact O-OD1 2.66Å; G927-P988 WeakPolarHBondContact CA-O 3.25Å
928	S	92.7	Very high	89.7	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-70	-31.7	-179.3	-56	0	0	0	0	113.2	Q924 L925 N930 P988	Q924-S928 VanDerWaalsContact O-CB 3.31Å; Q924-S928 WeakPolarHBondContact O-CB 3.49Å; Q924-S928 PolarHBondContact O-N 3.46Å; Q924-S928 PolarHBondContact O-OG 3.21Å; L925-S928 PolarHBondContact O-N 2.74Å; S928-N930 PolarHBondContact O-N 3.31Å; S928-P988 WeakPolarHBondContact OG-CB 3.42Å; S928-P988 WeakPolarHBondContact OG-CG 3.29Å
929	L	92.8	Very high	89.7	Confident	8 Å²	8	29 Å²	29	4%	0.042	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	1.7	171	-68.3	177.6	0	0	0	113.4	I865 L873 L908 L909 M911 L925 N926 R931	I865-L929 HydrophobicContact CD1-CB 4.2Å; I865-L929 WeakPolarHBondContact CG1-O 3.42Å; L873-L929 HydrophobicContact CD1-CD2 3.55Å; L908-L929 HydrophobicContact CD1-CD1 3.95Å; L908-L929 HydrophobicContact CD2-CD2 4.14Å; L908-L929 HydrophobicContact CG-CD1 4.15Å; L908-L929 HydrophobicContact CG-CD2 4.19Å; L909-L929 HydrophobicContact CD2-CD2 4.17Å; M911-L929 HydrophobicContact SD-CD1 4.3Å; L925-L929 WeakPolarHBondContact O-CB 3.37Å; L925-L929 VanDerWaalsContact O-CG 3.27Å; L925-L929 WeakPolarHBondContact O-CG 3.41Å; L925-L929 PolarHBondContact O-N 3.07Å; N926-L929 PolarHBondContact O-N 3.09Å; L929-R931 HydrophobicContact CB-CB 4.33Å; L929-R931 PolarHBondContact O-N 3.43Å
930	N	92.9	Very high	89.8	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	17.5	-172.7	-93.7	9.1	0	0	0	114.9	K867 N926 G927 S928 D979 C983 R991	K867-N930 WeakPolarHBondContact O-CB 3.48Å; K867-N930 PolarHBondContact O-ND2 3.24Å; N926-N930 PolarHBondContact O-N 2.95Å; N926-N930 VanDerWaalsContact O-N 3.17Å; G927-N930 PolarHBondContact O-N 3.02Å; G927-N930 PolarHBondContact O-OD1 2.66Å; S928-N930 PolarHBondContact O-N 3.31Å; N930-D979 PolarHBondContact ND2-OD1 3.19Å; N930-C983 PolarHBondContact ND2-SG 3.36Å; N930-C983 VanDerWaalsContact ND2-SG 3.43Å; N930-R991 PolarHBondContact O-NH1 3.22Å; N930-R991 PolarHBondContact O-NH2 3.03Å; N930-R991 VanDerWaalsContact OD1-CZ 3.29Å; N930-R991 PolarHBondContact OD1-NE 3.35Å; N930-R991 PolarHBondContact OD1-NH2 3.43Å
931	R	92.1	Very high	89.8	Confident	33 Å²	33	27.5 Å²	27.5	13%	0.125	15%	0.151	C	C	.	.			trans	-75.2	132.9	-166.1	-174.2	169.9	-78.3	-172.3	-1.2	112.8	L861 S863 G864 I865 L909 M911 N926 L929 Q992	L861-R931 PolarHBondContact O-NH2 3.29Å; S863-R931 PolarHBondContact O-NE 2.79Å; G864-R931 CarbonylContact O-C 3.34Å; G864-R931 WeakPolarHBondContact O-CA 3.22Å; I865-R931 HydrophobicContact CG1-CB 3.96Å; I865-R931 HydrophobicContact CG1-CG 4.17Å; L909-R931 PolarHBondContact O-NH1 3.37Å; L909-R931 PolarHBondContact O-NH2 3.41Å; M911-R931 PolarHBondContact SD-NH1 3.08Å; N926-R931 PolarHBondContact O-N 3.35Å; L929-R931 HydrophobicContact CB-CB 4.33Å; L929-R931 PolarHBondContact O-N 3.43Å; R931-Q992 PolarHBondContact O-OE1 3.03Å
932	V	92.2	Very high	89.6	Confident	11 Å²	11	29.1 Å²	29.1	7%	0.067	16%	0.156	C	C	.	.			trans	-127.3	160.6	177.9	-59	0	0	0	0	112.3	G864 F936 F937 V995	G864-V932 WeakPolarHBondContact CA-O 3.41Å; G864-V932 WeakPolarHBondContact O-CG2 3.48Å; G864-V932 PolarHBondContact O-N 2.61Å; V932-F936 HydrophobicContact CB-CB 3.79Å; V932-F936 HydrophobicContact CB-CD1 3.8Å; V932-F936 HydrophobicContact CB-CD2 4.24Å; V932-F936 HydrophobicContact CB-CE1 4.45Å; V932-F936 HydrophobicContact CB-CG 3.67Å; V932-F936 HydrophobicContact CG1-CD1 3.87Å; V932-F936 HydrophobicContact CG1-CE1 4.04Å; V932-F936 HydrophobicContact CG1-CG 4.12Å; V932-F936 HydrophobicContact CG1-CZ 4.44Å; V932-F936 HydrophobicContact CG2-CB 3.74Å; V932-F936 HydrophobicContact CG2-CD1 3.79Å; V932-F936 HydrophobicContact CG2-CG 3.93Å; V932-F937 HydrophobicContact CG2-CE2 3.9Å; V932-F937 HydrophobicContact CG2-CZ 3.96Å; V932-V995 HydrophobicContact CB-CG1 4.33Å; V932-V995 HydrophobicContact CG1-CG1 4.09Å; V932-V995 HydrophobicContact CG1-CG2 3.84Å
933	P	90.2	Very high	89.2	Confident	62 Å²	62	27 Å²	27	40%	0.403	15%	0.146	S	C	.	.			trans	-57.7	156.4	171.2	-26.5	36.2	0	0	0	113.5	D935 F936 V999	P933-D935 PolarHBondContact O-N 3.2Å; P933-F936 HydrophobicContact CB-CB 4.46Å; P933-F936 WeakPolarHBondContact O-CB 3.42Å; P933-F936 PolarHBondContact O-N 2.87Å; P933-F936 VanDerWaalsContact O-N 3.09Å; P933-V999 HydrophobicContact CG-CG2 4.23Å
934	A	85	Confident	88.9	Confident	83 Å²	83	26.9 Å²	26.9	69%	0.686	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-46.7	-175.3	0	0	0	0	0	113.4	F936	A934-F936 VanDerWaalsContact C-N 3.28Å; A934-F936 PolarHBondContact O-N 3.21Å
935	D	85.6	Confident	88.3	Confident	97 Å²	97	30 Å²	30	52%	0.519	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	17.2	-177.7	-43.3	-42.3	0	0	0	112.2	P933 F937 D938 H939	P933-D935 PolarHBondContact O-N 3.2Å; D935-F937 PolarHBondContact O-N 2.89Å; D935-D938 WeakPolarHBondContact O-CB 3.45Å; D935-D938 PolarHBondContact O-N 2.9Å; D935-H939 PolarHBondContact O-N 3.29Å; D935-H939 VanDerWaalsContact O-N 3.16Å; D935-H939 PolarHBondContact O-ND1 3.05Å
936	F	91.1	Very high	87.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.2	-43.9	-171.1	175.7	-102	0	0	0	113.2	V932 P933 A934 D938 H939 V940 I978 L982 V995 F998 V999	V932-F936 HydrophobicContact CB-CB 3.79Å; V932-F936 HydrophobicContact CB-CD1 3.8Å; V932-F936 HydrophobicContact CB-CD2 4.24Å; V932-F936 HydrophobicContact CB-CE1 4.45Å; V932-F936 HydrophobicContact CB-CG 3.67Å; V932-F936 HydrophobicContact CG1-CD1 3.87Å; V932-F936 HydrophobicContact CG1-CE1 4.04Å; V932-F936 HydrophobicContact CG1-CG 4.12Å; V932-F936 HydrophobicContact CG1-CZ 4.44Å; V932-F936 HydrophobicContact CG2-CB 3.74Å; V932-F936 HydrophobicContact CG2-CD1 3.79Å; V932-F936 HydrophobicContact CG2-CG 3.93Å; P933-F936 HydrophobicContact CB-CB 4.46Å; P933-F936 WeakPolarHBondContact O-CB 3.42Å; P933-F936 PolarHBondContact O-N 2.87Å; P933-F936 VanDerWaalsContact O-N 3.09Å; A934-F936 VanDerWaalsContact C-N 3.28Å; A934-F936 PolarHBondContact O-N 3.21Å; F936-D938 PolarHBondContact O-N 3.43Å; F936-H939 WeakPolarHBondContact O-CB 3.43Å; F936-H939 PolarHBondContact O-N 3.35Å; F936-H939 VanDerWaalsContact O-N 3.15Å; F936-V940 HydrophobicContact CD1-CG2 4.35Å; F936-V940 HydrophobicContact CE1-CG2 3.85Å; F936-V940 HydrophobicContact CE2-CG2 4.09Å; F936-V940 HydrophobicContact CZ-CG2 3.7Å; F936-V940 PolarHBondContact O-N 3.35Å; F936-I978 HydrophobicContact CE1-CG2 3.88Å; F936-L982 HydrophobicContact CE1-CD1 3.86Å; F936-L982 HydrophobicContact CZ-CD1 3.91Å; F936-V995 HydrophobicContact CD2-CG1 4.02Å; F936-V995 HydrophobicContact CE2-CB 4.2Å; F936-V995 HydrophobicContact CE2-CG1 3.82Å; F936-V995 HydrophobicContact CE2-CG2 4.19Å; F936-V995 HydrophobicContact CZ-CG2 4.16Å; F936-F998 HydrophobicContact CE2-CB 3.76Å; F936-F998 HydrophobicContact CE2-CD2 4.39Å; F936-F998 HydrophobicContact CE2-CG 4.39Å; F936-F998 HydrophobicContact CZ-CB 4.25Å; F936-F998 HydrophobicContact CZ-CD2 4.12Å; F936-F998 HydrophobicContact CZ-CG 4.41Å; F936-V999 HydrophobicContact CD2-CG2 4.29Å
937	F	90.2	Very high	86.7	Confident	34 Å²	34	33.3 Å²	33.3	15%	0.149	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-38.5	-177.7	-58.9	-70.7	0	0	0	111.6	L866 V932 D935 H939 V940 W941 F974 A975 I978	L866-F937 HydrophobicContact CB-CZ 4.33Å; L866-F937 HydrophobicContact CD2-CE1 4.2Å; L866-F937 HydrophobicContact CD2-CE2 4.37Å; L866-F937 HydrophobicContact CD2-CZ 3.73Å; V932-F937 HydrophobicContact CG2-CE2 3.9Å; V932-F937 HydrophobicContact CG2-CZ 3.96Å; D935-F937 PolarHBondContact O-N 2.89Å; F937-H939 VanDerWaalsContact C-N 3.31Å; F937-H939 PolarHBondContact O-N 3.05Å; F937-V940 PolarHBondContact O-N 2.95Å; F937-W941 PolarHBondContact O-N 3.23Å; F937-F974 HydrophobicContact CB-CE1 4.25Å; F937-F974 WeakPolarHBondContact O-CE1 3.49Å; F937-A975 HydrophobicContact CB-CB 4.29Å; F937-A975 HydrophobicContact CD1-CB 3.6Å; F937-A975 HydrophobicContact CD2-CB 3.85Å; F937-A975 HydrophobicContact CE1-CB 3.8Å; F937-A975 VanDerWaalsContact CE1-O 3.29Å; F937-A975 WeakPolarHBondContact CE1-O 3.28Å; F937-A975 HydrophobicContact CE2-CB 4.05Å; F937-A975 HydrophobicContact CG-CB 3.62Å; F937-A975 HydrophobicContact CZ-CB 4.03Å; F937-I978 HydrophobicContact CD1-CB 3.99Å; F937-I978 HydrophobicContact CD1-CG1 4.25Å; F937-I978 HydrophobicContact CD1-CG2 4.23Å; F937-I978 HydrophobicContact CE1-CB 4.07Å; F937-I978 HydrophobicContact CE1-CG2 4.26Å
938	D	86.3	Confident	85.6	Confident	40 Å²	40	36.7 Å²	36.7	21%	0.214	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-43.2	169.6	-64.5	35.9	0	0	0	112.5	D935 F936 V940 W941 R942	D935-D938 WeakPolarHBondContact O-CB 3.45Å; D935-D938 PolarHBondContact O-N 2.9Å; F936-D938 PolarHBondContact O-N 3.43Å; D938-V940 VanDerWaalsContact C-N 3.35Å; D938-W941 PolarHBondContact O-N 3.38Å; D938-R942 WeakPolarHBondContact O-CD 3.36Å; D938-R942 VanDerWaalsContact O-CG 3.26Å; D938-R942 WeakPolarHBondContact O-CG 3.31Å; D938-R942 PolarHBondContact O-N 2.92Å; D938-R942 IonicContact OD2-NH2 3.35Å; D938-R942 PolarHBondContact OD2-NH2 2.74Å; D938-R942 VanDerWaalsContact OD2-NH2 3.14Å
939	H	85.5	Confident	84.5	Confident	26 Å²	26	36.8 Å²	36.8	12%	0.12	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-39.1	178	-72.4	105.5	0	0	0	111.8	D935 F936 F937 T943 S1002	D935-H939 PolarHBondContact O-N 3.29Å; D935-H939 VanDerWaalsContact O-N 3.16Å; D935-H939 PolarHBondContact O-ND1 3.05Å; F936-H939 WeakPolarHBondContact O-CB 3.43Å; F936-H939 PolarHBondContact O-N 3.35Å; F936-H939 VanDerWaalsContact O-N 3.15Å; F937-H939 VanDerWaalsContact C-N 3.31Å; F937-H939 PolarHBondContact O-N 3.05Å; H939-T943 PolarHBondContact O-N 3Å; H939-T943 VanDerWaalsContact O-N 3.11Å; H939-T943 PolarHBondContact O-OG1 3.34Å; H939-S1002 VanDerWaalsContact CA-OG 3.26Å; H939-S1002 WeakPolarHBondContact CA-OG 3.12Å; H939-S1002 WeakPolarHBondContact CB-OG 3.1Å; H939-S1002 PolarHBondContact CD2-OG 3.3Å; H939-S1002 WeakPolarHBondContact O-CB 3.32Å; H939-S1002 PolarHBondContact O-OG 3.19Å
940	V	88.2	Confident	83.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71.6	-37.8	175.8	178.7	0	0	0	0	111.7	F936 F937 D938 T943 L944 L951 I978 F998	F936-V940 HydrophobicContact CD1-CG2 4.35Å; F936-V940 HydrophobicContact CE1-CG2 3.85Å; F936-V940 HydrophobicContact CE2-CG2 4.09Å; F936-V940 HydrophobicContact CZ-CG2 3.7Å; F936-V940 PolarHBondContact O-N 3.35Å; F937-V940 PolarHBondContact O-N 2.95Å; D938-V940 VanDerWaalsContact C-N 3.35Å; V940-T943 WeakPolarHBondContact O-CB 3.35Å; V940-T943 PolarHBondContact O-N 3.41Å; V940-T943 VanDerWaalsContact O-N 3.16Å; V940-L944 HydrophobicContact CG1-CD1 4.05Å; V940-L944 PolarHBondContact O-N 2.87Å; V940-L951 HydrophobicContact CG1-CD1 4.15Å; V940-I978 HydrophobicContact CB-CG1 4.48Å; V940-I978 HydrophobicContact CB-CG2 4.37Å; V940-I978 HydrophobicContact CG1-CD1 3.61Å; V940-I978 HydrophobicContact CG1-CG1 3.89Å; V940-I978 HydrophobicContact CG1-CG2 3.96Å; V940-I978 HydrophobicContact CG2-CG2 4.2Å; V940-F998 HydrophobicContact CG2-CB 4.27Å; V940-F998 HydrophobicContact CG2-CD1 4.07Å; V940-F998 HydrophobicContact CG2-CG 4.08Å
941	W	87.4	Confident	83.1	Confident	19 Å²	19	36.3 Å²	36.3	7%	0.072	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-52.9	173	-180	-79.7	0	0	0	111.1	F937 D938 T943 L944 E945 L964 M967 T968 E969 F974	F937-W941 PolarHBondContact O-N 3.23Å; D938-W941 PolarHBondContact O-N 3.38Å; W941-T943 PolarHBondContact O-N 3.09Å; W941-L944 PolarHBondContact O-N 3.41Å; W941-L944 VanDerWaalsContact O-N 3.12Å; W941-E945 VanDerWaalsContact NE1-CD 3.32Å; W941-E945 PolarHBondContact NE1-OE1 3.42Å; W941-E945 PolarHBondContact O-N 3.46Å; W941-L964 HydrophobicContact CD2-CD2 3.72Å; W941-L964 HydrophobicContact CE3-CD2 3.57Å; W941-L964 HydrophobicContact CG-CD2 4.47Å; W941-L964 HydrophobicContact CH2-CB 4.15Å; W941-L964 HydrophobicContact CH2-CD2 3.64Å; W941-L964 HydrophobicContact CZ2-CB 4.36Å; W941-L964 HydrophobicContact CZ2-CD2 3.81Å; W941-L964 HydrophobicContact CZ3-CD2 3.53Å; W941-M967 VanDerWaalsContact CH2-O 3.31Å; W941-M967 WeakPolarHBondContact CH2-O 3.03Å; W941-T968 VanDerWaalsContact CZ3-C 3.45Å; W941-E969 HydrophobicContact CB-CB 4.33Å; W941-E969 HydrophobicContact CD2-CB 3.77Å; W941-E969 HydrophobicContact CE3-CB 4.08Å; W941-E969 HydrophobicContact CG-CB 3.84Å; W941-F974 HydrophobicContact CB-CE1 3.85Å; W941-F974 HydrophobicContact CB-CZ 3.78Å; W941-F974 HydrophobicContact CD2-CZ 4.42Å; W941-F974 AromaticContact CE3-CD1 3.96Å; W941-F974 HydrophobicContact CE3-CD1 3.96Å; W941-F974 AromaticContact CE3-CD2 3.75Å; W941-F974 HydrophobicContact CE3-CD2 3.75Å; W941-F974 AromaticContact CE3-CE1 3.89Å; W941-F974 HydrophobicContact CE3-CE1 3.89Å; W941-F974 AromaticContact CE3-CE2 3.66Å; W941-F974 HydrophobicContact CE3-CE2 3.66Å; W941-F974 AromaticContact CE3-CG 3.9Å; W941-F974 HydrophobicContact CE3-CG 3.9Å; W941-F974 AromaticContact CE3-CZ 3.75Å; W941-F974 HydrophobicContact CE3-CZ 3.75Å; W941-F974 HydrophobicContact CG-CZ 4.5Å; W941-F974 AromaticContact CZ3-CD2 3.95Å; W941-F974 HydrophobicContact CZ3-CD2 3.95Å; W941-F974 HydrophobicContact CZ3-CE2 4.22Å; W941-F974 HydrophobicContact CZ3-CG 4.19Å
942	R	81.9	Confident	82.5	Confident	76 Å²	76	36.6 Å²	36.6	29%	0.287	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-26.5	177.1	-66.2	166.1	-163.8	146.8	11.9	113	D938 R946	D938-R942 WeakPolarHBondContact O-CD 3.36Å; D938-R942 VanDerWaalsContact O-CG 3.26Å; D938-R942 WeakPolarHBondContact O-CG 3.31Å; D938-R942 PolarHBondContact O-N 2.92Å; D938-R942 IonicContact OD2-NH2 3.35Å; D938-R942 PolarHBondContact OD2-NH2 2.74Å; D938-R942 VanDerWaalsContact OD2-NH2 3.14Å; R942-R946 WeakPolarHBondContact O-CG 3.43Å
943	T	81.7	Confident	81.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-73.3	-49.9	173.7	-56.2	0	0	0	0	110.5	H939 V940 W941 E945 R946 T947 L951 L1001 L1005	H939-T943 PolarHBondContact O-N 3Å; H939-T943 VanDerWaalsContact O-N 3.11Å; H939-T943 PolarHBondContact O-OG1 3.34Å; V940-T943 WeakPolarHBondContact O-CB 3.35Å; V940-T943 PolarHBondContact O-N 3.41Å; V940-T943 VanDerWaalsContact O-N 3.16Å; W941-T943 PolarHBondContact O-N 3.09Å; T943-E945 VanDerWaalsContact C-N 3.27Å; T943-E945 PolarHBondContact O-N 3.42Å; T943-R946 CarbonylContact O-C 3.59Å; T943-R946 WeakPolarHBondContact O-CA 3.31Å; T943-R946 PolarHBondContact O-N 3.46Å; T943-T947 HydrophobicContact CG2-CG2 4.15Å; T943-T947 WeakPolarHBondContact O-CG2 3.45Å; T943-T947 PolarHBondContact O-N 3.36Å; T943-T947 VanDerWaalsContact O-N 3.09Å; T943-T947 PolarHBondContact O-OG1 3.41Å; T943-L951 HydrophobicContact CG2-CD2 4.21Å; T943-L1001 HydrophobicContact CG2-CD2 3.74Å; T943-L1001 HydrophobicContact CG2-CG 4.22Å; T943-L1005 HydrophobicContact CG2-CD1 3.93Å
944	L	83.5	Confident	80.8	Confident	2 Å²	2	36 Å²	36	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-31.4	178.1	-77.3	162.7	0	0	0	113.3	V940 W941 R946 T947 L951 L958 P960 L963 L964 F974 I978	V940-L944 HydrophobicContact CG1-CD1 4.05Å; V940-L944 PolarHBondContact O-N 2.87Å; W941-L944 PolarHBondContact O-N 3.41Å; W941-L944 VanDerWaalsContact O-N 3.12Å; L944-R946 PolarHBondContact O-N 3.03Å; L944-T947 WeakPolarHBondContact CA-OG1 3.43Å; L944-T947 PolarHBondContact O-N 3.13Å; L944-L951 HydrophobicContact CD1-CD1 4.36Å; L944-L951 HydrophobicContact CD2-CD1 3.72Å; L944-L951 HydrophobicContact CD2-CG 3.76Å; L944-L951 HydrophobicContact CG-CD1 3.84Å; L944-L951 HydrophobicContact CG-CG 4.34Å; L944-L958 HydrophobicContact CD1-CD2 3.98Å; L944-L958 HydrophobicContact CD2-CD2 4.42Å; L944-P960 HydrophobicContact CB-CB 4.48Å; L944-P960 HydrophobicContact CD2-CB 4.31Å; L944-P960 HydrophobicContact CD2-CG 4.2Å; L944-L963 HydrophobicContact CD1-CD2 4.04Å; L944-L964 HydrophobicContact CB-CD1 3.95Å; L944-L964 HydrophobicContact CB-CD2 4.09Å; L944-L964 HydrophobicContact CB-CG 4.33Å; L944-F974 HydrophobicContact CD1-CE2 3.92Å; L944-F974 HydrophobicContact CD1-CZ 4.18Å; L944-I978 HydrophobicContact CD1-CD1 3.97Å
945	E	79.8	Confident	80.2	Confident	105 Å²	105	39.7 Å²	39.7	49%	0.491	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16	171.2	-74.1	-174.6	158.3	0	0	113.9	W941 T943 L964	W941-E945 VanDerWaalsContact NE1-CD 3.32Å; W941-E945 PolarHBondContact NE1-OE1 3.42Å; W941-E945 PolarHBondContact O-N 3.46Å; T943-E945 VanDerWaalsContact C-N 3.27Å; T943-E945 PolarHBondContact O-N 3.42Å; E945-L964 HydrophobicContact CG-CD1 4.04Å
946	R	74.9	Confident	79.9	Confident	96 Å²	96	40.1 Å²	40.1	36%	0.362	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-4.7	-177.6	-55.6	-65.6	159.9	157.8	-8.3	113.7	R942 T943 L944 P948 L1005 P1009 N1012	R942-R946 WeakPolarHBondContact O-CG 3.43Å; T943-R946 CarbonylContact O-C 3.59Å; T943-R946 WeakPolarHBondContact O-CA 3.31Å; T943-R946 PolarHBondContact O-N 3.46Å; L944-R946 PolarHBondContact O-N 3.03Å; R946-P948 VanDerWaalsContact O-CD 3.23Å; R946-P948 WeakPolarHBondContact O-CD 3.2Å; R946-L1005 HydrophobicContact CB-CD1 4.27Å; R946-L1005 HydrophobicContact CB-CD2 3.89Å; R946-L1005 HydrophobicContact CG-CD2 4.27Å; R946-P1009 PolarHBondContact NH1-O 3.46Å; R946-N1012 PolarHBondContact O-OD1 2.96Å
947	T	74.7	Confident	79.3	Confident	6 Å²	6	43.4 Å²	43.4	4%	0.037	23%	0.229	C	C	.	.			trans	-115.1	76.8	179.7	57.7	0	0	0	0	110.4	T943 L944 G949 G950 P960 V1084	T943-T947 HydrophobicContact CG2-CG2 4.15Å; T943-T947 WeakPolarHBondContact O-CG2 3.45Å; T943-T947 PolarHBondContact O-N 3.36Å; T943-T947 VanDerWaalsContact O-N 3.09Å; T943-T947 PolarHBondContact O-OG1 3.41Å; L944-T947 WeakPolarHBondContact CA-OG1 3.43Å; L944-T947 PolarHBondContact O-N 3.13Å; T947-G949 PolarHBondContact O-N 2.98Å; T947-G949 VanDerWaalsContact O-N 3.12Å; T947-G950 WeakPolarHBondContact O-CA 3.42Å; T947-G950 PolarHBondContact O-N 2.9Å; T947-P960 WeakPolarHBondContact O-CG 3.44Å; T947-V1084 HydrophobicContact CG2-CG2 3.46Å; T947-V1084 VanDerWaalsContact CG2-CG2 3.46Å
948	P	68.1	Low	79	Confident	71 Å²	71	43 Å²	43	46%	0.461	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.6	-172.8	22.6	-33.6	0	0	0	114.4	R946 G950	R946-P948 VanDerWaalsContact O-CD 3.23Å; R946-P948 WeakPolarHBondContact O-CD 3.2Å; P948-G950 VanDerWaalsContact C-N 3.27Å; P948-G950 PolarHBondContact O-N 3.31Å
949	G	70.1	Confident	78.8	Confident	2 Å²	2	45.1 Å²	45.1	2%	0.021	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-2.6	171.7	0	0	0	0	0	115	T947 M959 S1081 C1083	T947-G949 PolarHBondContact O-N 2.98Å; T947-G949 VanDerWaalsContact O-N 3.12Å; G949-M959 VanDerWaalsContact O-SD 3.39Å; G949-S1081 VanDerWaalsContact CA-O 3.23Å; G949-S1081 WeakPolarHBondContact CA-O 3.24Å; G949-C1083 WeakPolarHBondContact O-CA 3.36Å; G949-C1083 WeakPolarHBondContact O-CB 3.4Å; G949-C1083 PolarHBondContact O-SG 2.57Å
950	G	77.7	Confident	78.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.			trans	84.3	-170.9	-178.9	0	0	0	0	0	115.1	T947 P948 L958 V1084	T947-G950 WeakPolarHBondContact O-CA 3.42Å; T947-G950 PolarHBondContact O-N 2.9Å; P948-G950 VanDerWaalsContact C-N 3.27Å; P948-G950 PolarHBondContact O-N 3.31Å; G950-L958 VanDerWaalsContact CA-O 3.22Å; G950-L958 WeakPolarHBondContact CA-O 3.45Å; G950-V1084 PolarHBondContact O-N 2.85Å
951	L	78.8	Confident	78.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.8	177.9	-59.5	172.1	0	0	0	108.6	V940 T943 L944 T957 L958 L981 F998 V1084 M1086	V940-L951 HydrophobicContact CG1-CD1 4.15Å; T943-L951 HydrophobicContact CG2-CD2 4.21Å; L944-L951 HydrophobicContact CD1-CD1 4.36Å; L944-L951 HydrophobicContact CD2-CD1 3.72Å; L944-L951 HydrophobicContact CD2-CG 3.76Å; L944-L951 HydrophobicContact CG-CD1 3.84Å; L944-L951 HydrophobicContact CG-CG 4.34Å; L951-T957 CarbonylContact O-C 3.59Å; L951-T957 WeakPolarHBondContact O-CA 3.45Å; L951-L958 PolarHBondContact N-O 2.81Å; L951-L958 PolarHBondContact O-N 3.23Å; L951-L981 HydrophobicContact CB-CD2 4.44Å; L951-F998 HydrophobicContact CD1-CE1 3.63Å; L951-F998 HydrophobicContact CD1-CZ 3.92Å; L951-F998 HydrophobicContact CD2-CE1 3.97Å; L951-F998 HydrophobicContact CG-CE1 4.38Å; L951-V1084 HydrophobicContact CD2-CB 4.25Å; L951-M1086 HydrophobicContact CD2-CE 3.79Å
952	L	79.2	Confident	78	Confident	38 Å²	38	50.9 Å²	50.9	20%	0.199	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.3	175.2	175.6	72.9	0	0	0	109.2	G954 H956 T957 C1083 V1084 V1085 M1086	L952-G954 VanDerWaalsContact CD1-O 3.26Å; L952-G954 WeakPolarHBondContact CD1-O 3.31Å; L952-G954 WeakPolarHBondContact CG-O 3.3Å; L952-H956 WeakPolarHBondContact CA-O 3.45Å; L952-T957 WeakPolarHBondContact CD1-OG1 3.47Å; L952-C1083 HydrophobicContact CB-CB 4.08Å; L952-V1084 PolarHBondContact N-O 2.85Å; L952-V1085 HydrophobicContact CD2-CB 4.45Å; L952-V1085 HydrophobicContact CD2-CG1 4.25Å; L952-V1085 HydrophobicContact CD2-CG2 4.05Å; L952-M1086 PolarHBondContact O-N 3.35Å; L952-M1086 VanDerWaalsContact O-N 3.13Å
953	I	76.5	Confident	78.1	Confident	4 Å²	4	48 Å²	48	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111.1	174.6	-58.1	-170.9	0	0	0	107.9	D955 H956 L981 L982 I985 M994 F998	I953-D955 PolarHBondContact O-N 2.66Å; I953-H956 PolarHBondContact N-O 2.84Å; I953-H956 PolarHBondContact O-N 2.76Å; I953-L981 HydrophobicContact CB-CD1 4.41Å; I953-L981 HydrophobicContact CB-CG 4.3Å; I953-L981 HydrophobicContact CD1-CD2 3.61Å; I953-L981 HydrophobicContact CD1-CG 3.85Å; I953-L981 HydrophobicContact CG1-CD2 3.96Å; I953-L981 HydrophobicContact CG1-CG 4.15Å; I953-L982 HydrophobicContact CD1-CD2 3.99Å; I953-I985 HydrophobicContact CG2-CD1 3.85Å; I953-I985 HydrophobicContact CG2-CG1 3.74Å; I953-M994 HydrophobicContact CB-CE 4.44Å; I953-M994 HydrophobicContact CD1-CE 3.37Å; I953-M994 HydrophobicContact CG1-CE 3.57Å; I953-M994 HydrophobicContact CG2-CE 4.18Å; I953-F998 HydrophobicContact CD1-CE2 3.93Å; I953-F998 HydrophobicContact CD1-CZ 4.07Å
954	G	70.7	Confident	78.3	Confident	57 Å²	57	48.6 Å²	48.6	59%	0.588	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	-126.6	-168.3	0	0	0	0	0	110.3	L952	L952-G954 VanDerWaalsContact CD1-O 3.26Å; L952-G954 WeakPolarHBondContact CD1-O 3.31Å; L952-G954 WeakPolarHBondContact CG-O 3.3Å
955	D	72.6	Confident	78.2	Confident	161 Å²	161	49.3 Å²	49.3	86%	0.861	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	0.2	176	-58.4	-47.5	0	0	0	113.6	I953	I953-D955 PolarHBondContact O-N 2.66Å
956	H	78.3	Confident	78.4	Confident	106 Å²	106	45.1 Å²	45.1	49%	0.491	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.1	-174.3	-60.6	-84.2	0	0	0	112.2	L952 I953 L981 S984	L952-H956 WeakPolarHBondContact CA-O 3.45Å; I953-H956 PolarHBondContact N-O 2.84Å; I953-H956 PolarHBondContact O-N 2.76Å; H956-L981 HydrophobicContact CB-CD1 3.72Å; H956-L981 WeakPolarHBondContact O-CD1 3.26Å; H956-S984 WeakPolarHBondContact CD2-CB 3.44Å
957	T	79.4	Confident	79	Confident	68 Å²	68	42 Å²	42	42%	0.417	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.5	174.9	-45.3	0	0	0	0	111.7	L951 L952 M959	L951-T957 CarbonylContact O-C 3.59Å; L951-T957 WeakPolarHBondContact O-CA 3.45Å; L952-T957 WeakPolarHBondContact CD1-OG1 3.47Å; T957-M959 HydrophobicContact CG2-CG 4.29Å; T957-M959 HydrophobicContact CG2-SD 3.6Å
958	L	83	Confident	79.3	Confident	25 Å²	25	43.3 Å²	43.3	13%	0.131	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	102.4	165.8	-172.9	73.3	0	0	0	110	L944 G950 L951 L963 I978 L981	L944-L958 HydrophobicContact CD1-CD2 3.98Å; L944-L958 HydrophobicContact CD2-CD2 4.42Å; G950-L958 VanDerWaalsContact CA-O 3.22Å; G950-L958 WeakPolarHBondContact CA-O 3.45Å; L951-L958 PolarHBondContact N-O 2.81Å; L951-L958 PolarHBondContact O-N 3.23Å; L958-L963 HydrophobicContact CD1-CD2 3.96Å; L958-L963 HydrophobicContact CD2-CD2 3.92Å; L958-L963 HydrophobicContact CG-CD2 4.02Å; L958-I978 HydrophobicContact CD2-CD1 3.35Å; L958-L981 HydrophobicContact CB-CD1 4.06Å; L958-L981 HydrophobicContact CB-CD2 3.74Å; L958-L981 HydrophobicContact CB-CG 4.42Å; L958-L981 HydrophobicContact CD2-CD2 4.08Å
959	M	83.1	Confident	80	Confident	86 Å²	86	42.6 Å²	42.6	42%	0.424	24%	0.239	S	C	.	.			trans	-75.2	143.2	175.6	-64.1	-56.4	-64.3	0	0	111.4	G949 T957 Q961	G949-M959 VanDerWaalsContact O-SD 3.39Å; T957-M959 HydrophobicContact CG2-CG 4.29Å; T957-M959 HydrophobicContact CG2-SD 3.6Å; M959-Q961 VanDerWaalsContact CB-O 3.29Å; M959-Q961 WeakPolarHBondContact CB-O 3.49Å; M959-Q961 PolarHBondContact O-N 3.17Å
960	P	82	Confident	80.5	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.032	26%	0.261	C	S	.	.	H	α-helix	trans	-73.5	-19.6	178.7	-9.3	26.4	0	0	0	112.2	L944 T947 L963 L964	L944-P960 HydrophobicContact CB-CB 4.48Å; L944-P960 HydrophobicContact CD2-CB 4.31Å; L944-P960 HydrophobicContact CD2-CG 4.2Å; T947-P960 WeakPolarHBondContact O-CG 3.44Å; P960-L963 PolarHBondContact O-N 2.88Å; P960-L964 HydrophobicContact CB-CD1 3.78Å; P960-L964 HydrophobicContact CB-CG 4.18Å; P960-L964 VanDerWaalsContact O-CB 3.3Å; P960-L964 WeakPolarHBondContact O-CB 3.45Å; P960-L964 VanDerWaalsContact O-CG 3.31Å; P960-L964 WeakPolarHBondContact O-CG 3.43Å; P960-L964 PolarHBondContact O-N 3.23Å
961	Q	81.5	Confident	80.7	Confident	100 Å²	100	48.8 Å²	48.8	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-117.1	135	171.7	-54.1	-50.3	-36.5	0	0	108.7	M959 S965	M959-Q961 VanDerWaalsContact CB-O 3.29Å; M959-Q961 WeakPolarHBondContact CB-O 3.49Å; M959-Q961 PolarHBondContact O-N 3.17Å; Q961-S965 PolarHBondContact OE1-OG 2.97Å
962	P	80.5	Confident	81	Confident	60 Å²	60	50.6 Å²	50.6	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	cis	-80	-5.3	5.5	32.1	-35.5	0	0	0	115.2	A350 L964 S965 D966	A350-P962 HydrophobicContact CB-CB 3.82Å; A350-P962 HydrophobicContact CB-CG 3.65Å; P962-L964 PolarHBondContact O-N 2.99Å; P962-S965 CarbonylContact O-C 3.19Å; P962-S965 WeakPolarHBondContact O-CA 3.24Å; P962-S965 VanDerWaalsContact O-CB 3.28Å; P962-S965 WeakPolarHBondContact O-CB 3.5Å; P962-S965 PolarHBondContact O-N 3.35Å; P962-D966 PolarHBondContact O-N 3.26Å
963	L	84.7	Confident	81.3	Confident	17 Å²	17	50.2 Å²	50.2	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-48.4	-54.2	-168.9	-170.1	75.8	0	0	0	115.5	L944 L958 P960 S965 D966 M967 F974 A977	L944-L963 HydrophobicContact CD1-CD2 4.04Å; L958-L963 HydrophobicContact CD1-CD2 3.96Å; L958-L963 HydrophobicContact CD2-CD2 3.92Å; L958-L963 HydrophobicContact CG-CD2 4.02Å; P960-L963 PolarHBondContact O-N 2.88Å; L963-S965 PolarHBondContact O-N 3.35Å; L963-D966 PolarHBondContact O-N 3.16Å; L963-M967 HydrophobicContact CD1-CE 3.92Å; L963-M967 HydrophobicContact CD1-CG 4.46Å; L963-M967 HydrophobicContact CD1-SD 3.67Å; L963-M967 WeakPolarHBondContact O-CB 3.27Å; L963-M967 PolarHBondContact O-N 3.49Å; L963-F974 HydrophobicContact CD2-CD2 4.01Å; L963-F974 HydrophobicContact CD2-CE2 3.85Å; L963-F974 HydrophobicContact CG-CD2 4.19Å; L963-F974 HydrophobicContact CG-CE2 4.46Å; L963-A977 HydrophobicContact CD1-CB 4.02Å
964	L	85.2	Confident	81.9	Confident	12 Å²	12	50 Å²	50	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-75.2	-2.2	179.3	-57.3	-179.1	0	0	0	113.4	K354 W941 L944 E945 P960 P962 F974	K354-L964 VanDerWaalsContact CE-O 3.28Å; K354-L964 WeakPolarHBondContact CE-O 3.33Å; K354-L964 PolarHBondContact NZ-O 2.68Å; W941-L964 HydrophobicContact CD2-CD2 3.72Å; W941-L964 HydrophobicContact CE3-CD2 3.57Å; W941-L964 HydrophobicContact CG-CD2 4.47Å; W941-L964 HydrophobicContact CH2-CB 4.15Å; W941-L964 HydrophobicContact CH2-CD2 3.64Å; W941-L964 HydrophobicContact CZ2-CB 4.36Å; W941-L964 HydrophobicContact CZ2-CD2 3.81Å; W941-L964 HydrophobicContact CZ3-CD2 3.53Å; L944-L964 HydrophobicContact CB-CD1 3.95Å; L944-L964 HydrophobicContact CB-CD2 4.09Å; L944-L964 HydrophobicContact CB-CG 4.33Å; E945-L964 HydrophobicContact CG-CD1 4.04Å; P960-L964 HydrophobicContact CB-CD1 3.78Å; P960-L964 HydrophobicContact CB-CG 4.18Å; P960-L964 VanDerWaalsContact O-CB 3.3Å; P960-L964 WeakPolarHBondContact O-CB 3.45Å; P960-L964 VanDerWaalsContact O-CG 3.31Å; P960-L964 WeakPolarHBondContact O-CG 3.43Å; P960-L964 PolarHBondContact O-N 3.23Å; P962-L964 PolarHBondContact O-N 2.99Å; L964-F974 HydrophobicContact CD2-CE2 4.41Å
965	S	82.5	Confident	82.8	Confident	16 Å²	16	47.9 Å²	47.9	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-96.6	-45.8	170.2	-66.2	0	0	0	0	110.8	R333 K354 Q961 P962 L963	R333-S965 PolarHBondContact NH1-O 3.39Å; K354-S965 VanDerWaalsContact CB-O 3.31Å; K354-S965 WeakPolarHBondContact CB-O 3.2Å; K354-S965 WeakPolarHBondContact CD-OG 3.49Å; K354-S965 PolarHBondContact NZ-OG 2.88Å; Q961-S965 PolarHBondContact OE1-OG 2.97Å; P962-S965 CarbonylContact O-C 3.19Å; P962-S965 WeakPolarHBondContact O-CA 3.24Å; P962-S965 VanDerWaalsContact O-CB 3.28Å; P962-S965 WeakPolarHBondContact O-CB 3.5Å; P962-S965 PolarHBondContact O-N 3.35Å; L963-S965 PolarHBondContact O-N 3.35Å
966	D	82.1	Confident	83.5	Confident	17 Å²	17	40.6 Å²	40.6	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-74.6	-33.6	178.9	-80.3	-38.7	0	0	0	114.5	R225 Y226 A350 G351 T353 P962 L963	R225-D966 PolarHBondContact NH2-O 3.4Å; Y226-D966 HydrophobicContact CD1-CB 4.35Å; Y226-D966 HydrophobicContact CE1-CB 4.4Å; Y226-D966 WeakPolarHBondContact CE1-O 3.34Å; A350-D966 VanDerWaalsContact CA-OD2 3.27Å; A350-D966 WeakPolarHBondContact CA-OD2 3.24Å; G351-D966 WeakPolarHBondContact CA-OD1 3.45Å; G351-D966 PolarHBondContact N-OD1 3.37Å; G351-D966 PolarHBondContact N-OD2 3.04Å; T353-D966 WeakPolarHBondContact OG1-CA 3.24Å; T353-D966 PolarHBondContact OG1-O 3.44Å; T353-D966 PolarHBondContact OG1-OD1 2.88Å; P962-D966 PolarHBondContact O-N 3.26Å; L963-D966 PolarHBondContact O-N 3.16Å
967	M	87.5	Confident	84	Confident	31 Å²	31	36.6 Å²	36.6	15%	0.153	19%	0.192	C	C	.	.			trans	-110.3	175.8	-171.2	-53.5	-170.1	-176	0	0	112.6	R333 W941 L963 N973 F974	R333-M967 PolarHBondContact NH1-O 3Å; W941-M967 VanDerWaalsContact CH2-O 3.31Å; W941-M967 WeakPolarHBondContact CH2-O 3.03Å; L963-M967 HydrophobicContact CD1-CE 3.92Å; L963-M967 HydrophobicContact CD1-CG 4.46Å; L963-M967 HydrophobicContact CD1-SD 3.67Å; L963-M967 WeakPolarHBondContact O-CB 3.27Å; L963-M967 PolarHBondContact O-N 3.49Å; M967-N973 HydrophobicContact CE-CB 4.16Å; M967-N973 VanDerWaalsContact SD-C 3.58Å; M967-N973 HydrophobicContact SD-CB 4.02Å; M967-F974 HydrophobicContact CB-CB 4.09Å; M967-F974 VanDerWaalsContact SD-CA 3.52Å; M967-F974 HydrophobicContact SD-CB 3.97Å; M967-F974 PolarHBondContact SD-N 3.18Å; M967-F974 VanDerWaalsContact SD-N 3.43Å
968	T	82.6	Confident	84.5	Confident	34 Å²	34	33.5 Å²	33.5	21%	0.209	17%	0.173	C	C	.	.			trans	-131	157.4	170.8	61.5	0	0	0	0	110.3	W941 Y970 E971	W941-T968 VanDerWaalsContact CZ3-C 3.45Å; T968-Y970 PolarHBondContact O-N 2.7Å; T968-E971 WeakPolarHBondContact CB-OE1 3.49Å; T968-E971 WeakPolarHBondContact CG2-OE1 3.37Å; T968-E971 PolarHBondContact N-OE1 3.09Å; T968-E971 VanDerWaalsContact N-OE1 3.09Å; T968-E971 PolarHBondContact O-N 3.01Å; T968-E971 PolarHBondContact OG1-OE1 3.27Å
969	E	81.4	Confident	84.7	Confident	56 Å²	56	32.4 Å²	32.4	26%	0.262	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-27.2	179.1	66.2	-171.4	159.8	0	0	113.6	W941	W941-E969 HydrophobicContact CB-CB 4.33Å; W941-E969 HydrophobicContact CD2-CB 3.77Å; W941-E969 HydrophobicContact CE3-CB 4.08Å; W941-E969 HydrophobicContact CG-CB 3.84Å
970	Y	80.6	Confident	84.9	Confident	125 Å²	125	32.4 Å²	32.4	49%	0.49	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	13.3	179.5	-44.8	-76.7	0	0	0	115	N290 T968	N290-Y970 PolarHBondContact ND2-O 3.45Å; T968-Y970 PolarHBondContact O-N 2.7Å
971	E	82.1	Confident	85.2	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.028	17%	0.169	C	C	.	.			trans	-93.7	135.9	175.5	-88.8	159	-117.3	0	0	112	R225 Y226 T968 N973 F974 A975	R225-E971 IonicContact CZ-OE1 3.04Å; R225-E971 IonicContact CZ-OE2 2.68Å; R225-E971 IonicContact NH1-OE1 3.68Å; R225-E971 PolarHBondContact NH1-OE1 3.01Å; R225-E971 IonicContact NH1-OE2 2.66Å; R225-E971 IonicContact NH2-OE1 3.95Å; R225-E971 PolarHBondContact NH2-OE1 3.33Å; R225-E971 IonicContact NH2-OE2 3.08Å; R225-E971 PolarHBondContact NH2-OE2 3.09Å; Y226-E971 PolarHBondContact OH-OE2 3.2Å; T968-E971 WeakPolarHBondContact CB-OE1 3.49Å; T968-E971 WeakPolarHBondContact CG2-OE1 3.37Å; T968-E971 PolarHBondContact N-OE1 3.09Å; T968-E971 VanDerWaalsContact N-OE1 3.09Å; T968-E971 PolarHBondContact O-N 3.01Å; T968-E971 PolarHBondContact OG1-OE1 3.27Å; E971-N973 PolarHBondContact O-N 3.34Å; E971-F974 PolarHBondContact O-N 2.88Å; E971-F974 VanDerWaalsContact O-N 3.16Å; E971-A975 PolarHBondContact O-N 3.37Å
972	L	84.6	Confident	85.5	Confident	39 Å²	39	28.2 Å²	28.2	20%	0.204	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-36.5	177	-168.5	66.1	0	0	0	110.9	L866 F974 A975 L976	L866-L972 HydrophobicContact CD1-CD1 3.79Å; L972-F974 VanDerWaalsContact C-N 3.29Å; L972-F974 PolarHBondContact O-N 3.41Å; L972-A975 PolarHBondContact O-N 3.13Å; L972-L976 HydrophobicContact CD2-CD1 4.36Å; L972-L976 HydrophobicContact CG-CD1 3.97Å; L972-L976 HydrophobicContact CG-CG 4.27Å; L972-L976 WeakPolarHBondContact O-CB 3.39Å; L972-L976 WeakPolarHBondContact O-CG 3.5Å; L972-L976 PolarHBondContact O-N 3.12Å
973	N	85.8	Confident	85.7	Confident	30 Å²	30	26 Å²	26	16%	0.16	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-33.1	178.7	-63.8	-13.4	0	0	0	113.4	Y226 S288 M967 E971 A977	Y226-N973 WeakPolarHBondContact CE2-ND2 3.34Å; Y226-N973 PolarHBondContact OH-ND2 3.46Å; S288-N973 WeakPolarHBondContact CB-ND2 3.5Å; M967-N973 HydrophobicContact CE-CB 4.16Å; M967-N973 VanDerWaalsContact SD-C 3.58Å; M967-N973 HydrophobicContact SD-CB 4.02Å; E971-N973 PolarHBondContact O-N 3.34Å; N973-A977 PolarHBondContact O-N 3.16Å
974	F	89.7	Confident	85.6	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.4	-50.8	174.5	169.9	-104.3	0	0	0	110.5	F937 W941 L944 L963 L964 M967 E971 L972 L976 A977 I978	F937-F974 HydrophobicContact CB-CE1 4.25Å; F937-F974 WeakPolarHBondContact O-CE1 3.49Å; W941-F974 HydrophobicContact CB-CE1 3.85Å; W941-F974 HydrophobicContact CB-CZ 3.78Å; W941-F974 HydrophobicContact CD2-CZ 4.42Å; W941-F974 AromaticContact CE3-CD1 3.96Å; W941-F974 HydrophobicContact CE3-CD1 3.96Å; W941-F974 AromaticContact CE3-CD2 3.75Å; W941-F974 HydrophobicContact CE3-CD2 3.75Å; W941-F974 AromaticContact CE3-CE1 3.89Å; W941-F974 HydrophobicContact CE3-CE1 3.89Å; W941-F974 AromaticContact CE3-CE2 3.66Å; W941-F974 HydrophobicContact CE3-CE2 3.66Å; W941-F974 AromaticContact CE3-CG 3.9Å; W941-F974 HydrophobicContact CE3-CG 3.9Å; W941-F974 AromaticContact CE3-CZ 3.75Å; W941-F974 HydrophobicContact CE3-CZ 3.75Å; W941-F974 HydrophobicContact CG-CZ 4.5Å; W941-F974 AromaticContact CZ3-CD2 3.95Å; W941-F974 HydrophobicContact CZ3-CD2 3.95Å; W941-F974 HydrophobicContact CZ3-CE2 4.22Å; W941-F974 HydrophobicContact CZ3-CG 4.19Å; L944-F974 HydrophobicContact CD1-CE2 3.92Å; L944-F974 HydrophobicContact CD1-CZ 4.18Å; L963-F974 HydrophobicContact CD2-CD2 4.01Å; L963-F974 HydrophobicContact CD2-CE2 3.85Å; L963-F974 HydrophobicContact CG-CD2 4.19Å; L963-F974 HydrophobicContact CG-CE2 4.46Å; L964-F974 HydrophobicContact CD2-CE2 4.41Å; M967-F974 HydrophobicContact CB-CB 4.09Å; M967-F974 VanDerWaalsContact SD-CA 3.52Å; M967-F974 HydrophobicContact SD-CB 3.97Å; M967-F974 PolarHBondContact SD-N 3.18Å; M967-F974 VanDerWaalsContact SD-N 3.43Å; E971-F974 PolarHBondContact O-N 2.88Å; E971-F974 VanDerWaalsContact O-N 3.16Å; L972-F974 VanDerWaalsContact C-N 3.29Å; L972-F974 PolarHBondContact O-N 3.41Å; F974-L976 PolarHBondContact O-N 2.85Å; F974-A977 PolarHBondContact O-N 3.4Å; F974-A977 VanDerWaalsContact O-N 3.09Å; F974-I978 HydrophobicContact CE1-CG1 4.07Å; F974-I978 HydrophobicContact CE2-CD1 3.76Å; F974-I978 HydrophobicContact CE2-CG1 4.05Å; F974-I978 HydrophobicContact CZ-CD1 3.8Å; F974-I978 HydrophobicContact CZ-CG1 3.75Å; F974-I978 WeakPolarHBondContact O-CG1 3.28Å; F974-I978 PolarHBondContact O-N 3.18Å; F974-I978 VanDerWaalsContact O-N 3.16Å
975	A	89	Confident	85.6	Confident	11 Å²	11	27 Å²	27	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-58.5	-37	177.1	0	0	0	0	0	112.1	L866 F937 E971 L972 I978 D979	L866-A975 VanDerWaalsContact CD2-C 3.42Å; L866-A975 HydrophobicContact CD2-CB 3.73Å; L866-A975 WeakPolarHBondContact CD2-O 3.31Å; F937-A975 HydrophobicContact CB-CB 4.29Å; F937-A975 HydrophobicContact CD1-CB 3.6Å; F937-A975 HydrophobicContact CD2-CB 3.85Å; F937-A975 HydrophobicContact CE1-CB 3.8Å; F937-A975 VanDerWaalsContact CE1-O 3.29Å; F937-A975 WeakPolarHBondContact CE1-O 3.28Å; F937-A975 HydrophobicContact CE2-CB 4.05Å; F937-A975 HydrophobicContact CG-CB 3.62Å; F937-A975 HydrophobicContact CZ-CB 4.03Å; E971-A975 PolarHBondContact O-N 3.37Å; L972-A975 PolarHBondContact O-N 3.13Å; A975-I978 PolarHBondContact O-N 2.96Å; A975-D979 PolarHBondContact O-N 3.09Å
976	L	87.9	Confident	85.7	Confident	9 Å²	9	31.5 Å²	31.5	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-40.6	175.4	-71.1	170.6	0	0	0	112.5	R803 L866 L972 F974 I978 D979 E980	R803-L976 HydrophobicContact CB-CD2 4.35Å; R803-L976 HydrophobicContact CG-CD2 3.7Å; L866-L976 HydrophobicContact CD1-CD2 4.05Å; L866-L976 HydrophobicContact CD2-CD2 3.84Å; L866-L976 HydrophobicContact CD2-CG 4.22Å; L866-L976 HydrophobicContact CG-CD2 3.82Å; L972-L976 HydrophobicContact CD2-CD1 4.36Å; L972-L976 HydrophobicContact CG-CD1 3.97Å; L972-L976 HydrophobicContact CG-CG 4.27Å; L972-L976 WeakPolarHBondContact O-CB 3.39Å; L972-L976 WeakPolarHBondContact O-CG 3.5Å; L972-L976 PolarHBondContact O-N 3.12Å; F974-L976 PolarHBondContact O-N 2.85Å; L976-I978 VanDerWaalsContact C-N 3.32Å; L976-I978 PolarHBondContact O-N 2.78Å; L976-D979 PolarHBondContact O-N 3.43Å; L976-E980 VanDerWaalsContact O-CB 3.31Å; L976-E980 WeakPolarHBondContact O-CB 3.3Å; L976-E980 PolarHBondContact O-N 2.82Å
977	A	88.2	Confident	85.9	Confident	22 Å²	22	35.5 Å²	35.5	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-35.3	175	0	0	0	0	0	112.8	L963 N973 F974 L981	L963-A977 HydrophobicContact CD1-CB 4.02Å; N973-A977 PolarHBondContact O-N 3.16Å; F974-A977 PolarHBondContact O-N 3.4Å; F974-A977 VanDerWaalsContact O-N 3.09Å; A977-L981 PolarHBondContact O-N 3.17Å; A977-L981 VanDerWaalsContact O-N 3.17Å
978	I	89.5	Confident	86.1	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-43.4	174.3	-55.6	-43.8	0	0	0	111.4	F936 F937 V940 L944 L958 F974 A975 L976 L981 L982	F936-I978 HydrophobicContact CE1-CG2 3.88Å; F937-I978 HydrophobicContact CD1-CB 3.99Å; F937-I978 HydrophobicContact CD1-CG1 4.25Å; F937-I978 HydrophobicContact CD1-CG2 4.23Å; F937-I978 HydrophobicContact CE1-CB 4.07Å; F937-I978 HydrophobicContact CE1-CG2 4.26Å; V940-I978 HydrophobicContact CB-CG1 4.48Å; V940-I978 HydrophobicContact CB-CG2 4.37Å; V940-I978 HydrophobicContact CG1-CD1 3.61Å; V940-I978 HydrophobicContact CG1-CG1 3.89Å; V940-I978 HydrophobicContact CG1-CG2 3.96Å; V940-I978 HydrophobicContact CG2-CG2 4.2Å; L944-I978 HydrophobicContact CD1-CD1 3.97Å; L958-I978 HydrophobicContact CD2-CD1 3.35Å; F974-I978 HydrophobicContact CE1-CG1 4.07Å; F974-I978 HydrophobicContact CE2-CD1 3.76Å; F974-I978 HydrophobicContact CE2-CG1 4.05Å; F974-I978 HydrophobicContact CZ-CD1 3.8Å; F974-I978 HydrophobicContact CZ-CG1 3.75Å; F974-I978 WeakPolarHBondContact O-CG1 3.28Å; F974-I978 PolarHBondContact O-N 3.18Å; F974-I978 VanDerWaalsContact O-N 3.16Å; A975-I978 PolarHBondContact O-N 2.96Å; L976-I978 VanDerWaalsContact C-N 3.32Å; L976-I978 PolarHBondContact O-N 2.78Å; I978-L981 WeakPolarHBondContact O-CB 3.42Å; I978-L981 PolarHBondContact O-N 3.28Å; I978-L982 HydrophobicContact CG2-CD1 4.24Å; I978-L982 WeakPolarHBondContact O-CG 3.22Å; I978-L982 PolarHBondContact O-N 2.84Å; I978-L982 VanDerWaalsContact O-N 3.08Å
979	D	88.5	Confident	86.4	Confident	2 Å²	2	34 Å²	34	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-70.5	-33.7	178.6	-175.3	77.9	0	0	0	112.4	L866 K867 N930 A975 L976 L982 C983 R991	L866-D979 HydrophobicContact CD2-CB 4.06Å; K867-D979 WeakPolarHBondContact CB-OD2 3.43Å; K867-D979 VanDerWaalsContact CD-OD2 3.28Å; K867-D979 WeakPolarHBondContact CD-OD2 3.5Å; N930-D979 PolarHBondContact ND2-OD1 3.19Å; A975-D979 PolarHBondContact O-N 3.09Å; L976-D979 PolarHBondContact O-N 3.43Å; D979-L982 CarbonylContact O-C 3.58Å; D979-L982 PolarHBondContact O-N 2.81Å; D979-C983 WeakPolarHBondContact O-CB 3.31Å; D979-C983 PolarHBondContact O-N 2.8Å; D979-C983 PolarHBondContact O-SG 2.8Å; D979-C983 VanDerWaalsContact O-SG 3.39Å; D979-R991 IonicContact OD1-NH2 3.19Å; D979-R991 PolarHBondContact OD1-NH2 3.1Å
980	E	87.3	Confident	86.8	Confident	87 Å²	87	34.8 Å²	34.8	41%	0.407	18%	0.181	S	C	.	.	H	α-helix	trans	-59.2	-45	171.6	-156.3	103.5	-108.1	0	0	111.2	R803 K867 L976 C983	R803-E980 IonicContact CZ-OE2 2.61Å; R803-E980 IonicContact NH1-OE1 3.97Å; R803-E980 IonicContact NH1-OE2 2.74Å; R803-E980 PolarHBondContact NH1-OE2 3.2Å; K867-E980 IonicContact NZ-OE1 2.66Å; K867-E980 PolarHBondContact NZ-OE1 3.03Å; L976-E980 VanDerWaalsContact O-CB 3.31Å; L976-E980 WeakPolarHBondContact O-CB 3.3Å; L976-E980 PolarHBondContact O-N 2.82Å; E980-C983 PolarHBondContact O-N 3.12Å
981	L	87.3	Confident	87.3	Confident	15 Å²	15	28.9 Å²	28.9	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-45.5	173.3	-175.3	73.9	0	0	0	111.7	L951 I953 H956 L958 A977 I978 C983 S984	L951-L981 HydrophobicContact CB-CD2 4.44Å; I953-L981 HydrophobicContact CB-CD1 4.41Å; I953-L981 HydrophobicContact CB-CG 4.3Å; I953-L981 HydrophobicContact CD1-CD2 3.61Å; I953-L981 HydrophobicContact CD1-CG 3.85Å; I953-L981 HydrophobicContact CG1-CD2 3.96Å; I953-L981 HydrophobicContact CG1-CG 4.15Å; H956-L981 HydrophobicContact CB-CD1 3.72Å; H956-L981 WeakPolarHBondContact O-CD1 3.26Å; L958-L981 HydrophobicContact CB-CD1 4.06Å; L958-L981 HydrophobicContact CB-CD2 3.74Å; L958-L981 HydrophobicContact CB-CG 4.42Å; L958-L981 HydrophobicContact CD2-CD2 4.08Å; A977-L981 PolarHBondContact O-N 3.17Å; A977-L981 VanDerWaalsContact O-N 3.17Å; I978-L981 WeakPolarHBondContact O-CB 3.42Å; I978-L981 PolarHBondContact O-N 3.28Å; L981-C983 VanDerWaalsContact C-N 3.31Å; L981-C983 PolarHBondContact O-N 3.4Å; L981-S984 WeakPolarHBondContact O-CB 3.34Å; L981-S984 PolarHBondContact O-N 2.62Å; L981-S984 PolarHBondContact O-OG 3.29Å
982	L	88.5	Confident	87.7	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-24.5	178.9	-70.8	169.9	0	0	0	113.6	F936 I953 I978 D979 S984 I985 R991 M994 V995 F998	F936-L982 HydrophobicContact CE1-CD1 3.86Å; F936-L982 HydrophobicContact CZ-CD1 3.91Å; I953-L982 HydrophobicContact CD1-CD2 3.99Å; I978-L982 HydrophobicContact CG2-CD1 4.24Å; I978-L982 WeakPolarHBondContact O-CG 3.22Å; I978-L982 PolarHBondContact O-N 2.84Å; I978-L982 VanDerWaalsContact O-N 3.08Å; D979-L982 CarbonylContact O-C 3.58Å; D979-L982 PolarHBondContact O-N 2.81Å; L982-S984 PolarHBondContact O-N 2.57Å; L982-I985 HydrophobicContact CD2-CD1 4.26Å; L982-I985 PolarHBondContact O-N 2.86Å; L982-R991 HydrophobicContact CB-CG 4.45Å; L982-M994 HydrophobicContact CD2-CB 4.43Å; L982-V995 HydrophobicContact CD1-CG2 4.39Å; L982-F998 HydrophobicContact CD2-CE2 4.19Å
983	C	85.1	Confident	87.9	Confident	14 Å²	14	28 Å²	28	10%	0.095	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.6	178	-86.7	0	0	0	0	114.3	R869 N930 D979 E980 L981 I985	R869-C983 PolarHBondContact NH1-O 3.13Å; R869-C983 PolarHBondContact NH2-O 3.21Å; N930-C983 PolarHBondContact ND2-SG 3.36Å; N930-C983 VanDerWaalsContact ND2-SG 3.43Å; D979-C983 WeakPolarHBondContact O-CB 3.31Å; D979-C983 PolarHBondContact O-N 2.8Å; D979-C983 PolarHBondContact O-SG 2.8Å; D979-C983 VanDerWaalsContact O-SG 3.39Å; E980-C983 PolarHBondContact O-N 3.12Å; L981-C983 VanDerWaalsContact C-N 3.31Å; L981-C983 PolarHBondContact O-N 3.4Å; C983-I985 PolarHBondContact O-N 2.99Å
984	S	82.9	Confident	87.9	Confident	38 Å²	38	26.5 Å²	26.5	27%	0.266	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.6	171.5	65.5	0	0	0	0	113.5	H956 L981 L982 T986	H956-S984 WeakPolarHBondContact CD2-CB 3.44Å; L981-S984 WeakPolarHBondContact O-CB 3.34Å; L981-S984 PolarHBondContact O-N 2.62Å; L981-S984 PolarHBondContact O-OG 3.29Å; L982-S984 PolarHBondContact O-N 2.57Å; S984-T986 PolarHBondContact O-N 2.97Å
985	I	84.7	Confident	88	Confident	12 Å²	12	26.6 Å²	26.6	6%	0.062	15%	0.145	C	C	.	.			trans	-74	120.2	-178.7	-60.6	172.8	0	0	0	109.7	W872 I953 L982 C983 L987 Y990 R991 M994	W872-I985 WeakPolarHBondContact CH2-O 3.37Å; I953-I985 HydrophobicContact CG2-CD1 3.85Å; I953-I985 HydrophobicContact CG2-CG1 3.74Å; L982-I985 HydrophobicContact CD2-CD1 4.26Å; L982-I985 PolarHBondContact O-N 2.86Å; C983-I985 PolarHBondContact O-N 2.99Å; I985-L987 WeakPolarHBondContact CG2-O 3.38Å; I985-Y990 HydrophobicContact CD1-CD1 4.35Å; I985-Y990 HydrophobicContact CG2-CD1 3.78Å; I985-Y990 HydrophobicContact CG2-CG 4.45Å; I985-R991 HydrophobicContact CB-CB 4.13Å; I985-R991 HydrophobicContact CD1-CB 4.22Å; I985-R991 HydrophobicContact CD1-CG 4.3Å; I985-R991 HydrophobicContact CG2-CB 3.91Å; I985-M994 HydrophobicContact CD1-CB 4.08Å; I985-M994 HydrophobicContact CD1-CG 3.83Å
986	T	84	Confident	88	Confident	111 Å²	111	27.2 Å²	27.2	68%	0.681	15%	0.146	S	C	*	.	S	Bend	trans	-81.3	-20.6	-176.8	52.8	0	0	0	0	114.6	W872 S984	W872-T986 WeakPolarHBondContact CH2-O 3.12Å; S984-T986 PolarHBondContact O-N 2.97Å
987	L	87.7	Confident	87.9	Confident	101 Å²	101	26.8 Å²	26.8	53%	0.529	14%	0.144	S	C	.	.			trans	-105.8	116.7	179.6	-64.7	178.5	0	0	0	110.9	I985 E989 Y990 R991	I985-L987 WeakPolarHBondContact CG2-O 3.38Å; L987-E989 VanDerWaalsContact C-N 3.32Å; L987-E989 PolarHBondContact O-N 2.85Å; L987-Y990 PolarHBondContact O-N 3.33Å; L987-Y990 VanDerWaalsContact O-N 3.1Å; L987-R991 PolarHBondContact O-N 3.19Å
988	P	90.5	Very high	87.8	Confident	5 Å²	5	25.8 Å²	25.8	3%	0.032	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-40.7	-174.6	-6.2	7.9	0	0	0	113.3	W872 Q924 G927 S928 Y990 R991 Q992	W872-P988 HydrophobicContact CE3-CB 4.43Å; W872-P988 HydrophobicContact CE3-CG 4.15Å; W872-P988 HydrophobicContact CZ3-CB 4.02Å; W872-P988 HydrophobicContact CZ3-CG 3.72Å; Q924-P988 WeakPolarHBondContact O-CB 3.4Å; G927-P988 WeakPolarHBondContact CA-O 3.25Å; S928-P988 WeakPolarHBondContact OG-CB 3.42Å; S928-P988 WeakPolarHBondContact OG-CG 3.29Å; P988-Y990 VanDerWaalsContact C-N 3.32Å; P988-Y990 PolarHBondContact O-N 2.91Å; P988-R991 WeakPolarHBondContact O-CB 3.31Å; P988-R991 PolarHBondContact O-N 3.39Å; P988-Q992 PolarHBondContact O-N 2.99Å
989	E	89.7	Confident	87.6	Confident	28 Å²	28	27.4 Å²	27.4	13%	0.131	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-30.7	178.7	58	-90	-111.4	0	0	113.5	L920 R923 Q924 L987 Q992 L993 L1041	L920-E989 HydrophobicContact CD1-CB 4.13Å; L920-E989 HydrophobicContact CD1-CG 4.02Å; R923-E989 HydrophobicContact CB-CB 3.72Å; Q924-E989 HydrophobicContact CG-CB 4Å; Q924-E989 HydrophobicContact CG-CG 4.37Å; Q924-E989 PolarHBondContact NE2-OE1 3.44Å; L987-E989 VanDerWaalsContact C-N 3.32Å; L987-E989 PolarHBondContact O-N 2.85Å; E989-Q992 PolarHBondContact O-N 3.29Å; E989-L993 PolarHBondContact O-N 3.13Å; E989-L1041 HydrophobicContact CB-CD2 4.44Å; E989-L1041 HydrophobicContact CG-CD1 4.21Å; E989-L1041 HydrophobicContact CG-CD2 4.15Å
990	Y	88.4	Confident	87.4	Confident	73 Å²	73	28.2 Å²	28.2	29%	0.286	15%	0.15	S	C	.	.	H	α-helix	trans	-72.8	-37.5	172.8	-167.8	-94.8	0	0	0	111.1	I985 L987 P988 Q992 L993 M994 I1018	I985-Y990 HydrophobicContact CD1-CD1 4.35Å; I985-Y990 HydrophobicContact CG2-CD1 3.78Å; I985-Y990 HydrophobicContact CG2-CG 4.45Å; L987-Y990 PolarHBondContact O-N 3.33Å; L987-Y990 VanDerWaalsContact O-N 3.1Å; P988-Y990 VanDerWaalsContact C-N 3.32Å; P988-Y990 PolarHBondContact O-N 2.91Å; Y990-Q992 VanDerWaalsContact C-N 3.27Å; Y990-Q992 PolarHBondContact O-N 2.92Å; Y990-L993 PolarHBondContact O-N 3.43Å; Y990-M994 HydrophobicContact CD1-CG 4.18Å; Y990-M994 HydrophobicContact CE1-CG 3.95Å; Y990-M994 PolarHBondContact O-N 3.34Å; Y990-I1018 HydrophobicContact CE1-CD1 4.42Å; Y990-I1018 HydrophobicContact CE2-CD1 3.99Å; Y990-I1018 HydrophobicContact CE2-CG2 3.98Å
991	R	91	Very high	87.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.7	-42	171.7	-172.7	-170.9	173.1	-79	7.9	110.5	N930 D979 L982 I985 L987 P988 M994 V995	N930-R991 PolarHBondContact O-NH1 3.22Å; N930-R991 PolarHBondContact O-NH2 3.03Å; N930-R991 VanDerWaalsContact OD1-CZ 3.29Å; N930-R991 PolarHBondContact OD1-NE 3.35Å; N930-R991 PolarHBondContact OD1-NH2 3.43Å; D979-R991 IonicContact OD1-NH2 3.19Å; D979-R991 PolarHBondContact OD1-NH2 3.1Å; L982-R991 HydrophobicContact CB-CG 4.45Å; I985-R991 HydrophobicContact CB-CB 4.13Å; I985-R991 HydrophobicContact CD1-CB 4.22Å; I985-R991 HydrophobicContact CD1-CG 4.3Å; I985-R991 HydrophobicContact CG2-CB 3.91Å; L987-R991 PolarHBondContact O-N 3.19Å; P988-R991 WeakPolarHBondContact O-CB 3.31Å; P988-R991 PolarHBondContact O-N 3.39Å; R991-M994 WeakPolarHBondContact O-CB 3.4Å; R991-M994 PolarHBondContact O-N 3.45Å; R991-V995 WeakPolarHBondContact O-CG2 3.42Å; R991-V995 PolarHBondContact O-N 3.02Å; R991-V995 VanDerWaalsContact O-N 3.09Å
992	Q	91.2	Very high	86.9	Confident	23 Å²	23	23.6 Å²	23.6	11%	0.107	13%	0.128	C	C	.	.	H	α-helix	trans	-69	-37.3	176.8	-167.7	60.6	25.3	0	0	112.8	R923 N926 R931 P988 E989 Y990 M994 V995 E996	R923-Q992 HydrophobicContact CB-CB 4.03Å; R923-Q992 HydrophobicContact CB-CG 4.28Å; R923-Q992 HydrophobicContact CG-CB 4.07Å; R923-Q992 HydrophobicContact CG-CG 3.97Å; N926-Q992 HydrophobicContact CB-CG 4.13Å; R931-Q992 PolarHBondContact O-OE1 3.03Å; P988-Q992 PolarHBondContact O-N 2.99Å; E989-Q992 PolarHBondContact O-N 3.29Å; Y990-Q992 VanDerWaalsContact C-N 3.27Å; Y990-Q992 PolarHBondContact O-N 2.92Å; Q992-M994 VanDerWaalsContact C-N 3.29Å; Q992-M994 PolarHBondContact O-N 2.69Å; Q992-V995 WeakPolarHBondContact O-CB 3.32Å; Q992-V995 PolarHBondContact O-N 2.85Å; Q992-V995 VanDerWaalsContact O-N 3.16Å; Q992-E996 PolarHBondContact O-N 3.37Å
993	L	88	Confident	86.7	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-35.9	174.6	-160.5	74.1	0	0	0	112	E989 Y990 E996 L997 I1018 F1040 L1041	E989-L993 PolarHBondContact O-N 3.13Å; Y990-L993 PolarHBondContact O-N 3.43Å; L993-E996 WeakPolarHBondContact O-CB 3.22Å; L993-E996 PolarHBondContact O-N 2.82Å; L993-L997 PolarHBondContact O-N 3.36Å; L993-I1018 HydrophobicContact CD2-CD1 4.25Å; L993-I1018 HydrophobicContact CD2-CG2 3.91Å; L993-F1040 HydrophobicContact CD1-CD1 4.3Å; L993-F1040 HydrophobicContact CD1-CE1 4Å; L993-F1040 HydrophobicContact CD2-CD1 4.1Å; L993-F1040 HydrophobicContact CD2-CE1 4.04Å; L993-L1041 HydrophobicContact CD2-CD2 4.23Å
994	M	87.5	Confident	86.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-39.5	171.7	-79.1	-69.2	-73.4	0	0	112.6	I953 L982 I985 Y990 R991 Q992 L997 F998 I1018 M1086	I953-M994 HydrophobicContact CB-CE 4.44Å; I953-M994 HydrophobicContact CD1-CE 3.37Å; I953-M994 HydrophobicContact CG1-CE 3.57Å; I953-M994 HydrophobicContact CG2-CE 4.18Å; L982-M994 HydrophobicContact CD2-CB 4.43Å; I985-M994 HydrophobicContact CD1-CB 4.08Å; I985-M994 HydrophobicContact CD1-CG 3.83Å; Y990-M994 HydrophobicContact CD1-CG 4.18Å; Y990-M994 HydrophobicContact CE1-CG 3.95Å; Y990-M994 PolarHBondContact O-N 3.34Å; R991-M994 WeakPolarHBondContact O-CB 3.4Å; R991-M994 PolarHBondContact O-N 3.45Å; Q992-M994 VanDerWaalsContact C-N 3.29Å; Q992-M994 PolarHBondContact O-N 2.69Å; M994-L997 PolarHBondContact O-N 2.91Å; M994-L997 HydrophobicContact SD-CD2 4.16Å; M994-F998 HydrophobicContact CE-CE2 3.97Å; M994-F998 HydrophobicContact CE-CZ 4.41Å; M994-F998 VanDerWaalsContact O-CD2 3.22Å; M994-F998 WeakPolarHBondContact O-CD2 3.39Å; M994-F998 PolarHBondContact O-N 3.43Å; M994-I1018 HydrophobicContact CG-CD1 3.84Å; M994-I1018 HydrophobicContact SD-CD1 3.4Å; M994-I1018 WeakPolarHBondContact SD-CD1 3.4Å; M994-I1018 HydrophobicContact SD-CG1 4.37Å; M994-M1086 HydrophobicContact CE-CB 3.54Å; M994-M1086 HydrophobicContact CE-CG 4.23Å; M994-M1086 HydrophobicContact CE-SD 3.72Å; M994-M1086 HydrophobicContact SD-CB 3.87Å; M994-M1086 HydrophobicContact SD-SD 4.47Å
995	V	90.4	Very high	86.3	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-40.4	172.9	171.3	0	0	0	0	111.3	V932 F936 L982 R991 Q992 V999	V932-V995 HydrophobicContact CB-CG1 4.33Å; V932-V995 HydrophobicContact CG1-CG1 4.09Å; V932-V995 HydrophobicContact CG1-CG2 3.84Å; F936-V995 HydrophobicContact CD2-CG1 4.02Å; F936-V995 HydrophobicContact CE2-CB 4.2Å; F936-V995 HydrophobicContact CE2-CG1 3.82Å; F936-V995 HydrophobicContact CE2-CG2 4.19Å; F936-V995 HydrophobicContact CZ-CG2 4.16Å; L982-V995 HydrophobicContact CD1-CG2 4.39Å; R991-V995 WeakPolarHBondContact O-CG2 3.42Å; R991-V995 PolarHBondContact O-N 3.02Å; R991-V995 VanDerWaalsContact O-N 3.09Å; Q992-V995 WeakPolarHBondContact O-CB 3.32Å; Q992-V995 PolarHBondContact O-N 2.85Å; Q992-V995 VanDerWaalsContact O-N 3.16Å; V995-V999 WeakPolarHBondContact O-CG2 3.35Å; V995-V999 PolarHBondContact O-N 2.94Å
996	E	89.2	Confident	85.9	Confident	23 Å²	23	31.2 Å²	31.2	11%	0.107	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-45.1	171.4	-72.5	172.8	-133.7	0	0	111.9	R923 Q992 L993 V999 V1000 S1051 L1055	R923-E996 IonicContact CZ-OE1 2.66Å; R923-E996 VanDerWaalsContact CZ-OE1 3.24Å; R923-E996 IonicContact CZ-OE2 3.91Å; R923-E996 IonicContact NE-OE1 3.51Å; R923-E996 PolarHBondContact NE-OE1 2.94Å; R923-E996 IonicContact NE-OE2 2.69Å; R923-E996 VanDerWaalsContact NH2-CD 3.25Å; R923-E996 IonicContact NH2-OE1 3.51Å; R923-E996 PolarHBondContact NH2-OE1 3.1Å; R923-E996 IonicContact NH2-OE2 3.3Å; R923-E996 PolarHBondContact NH2-OE2 2.89Å; Q992-E996 PolarHBondContact O-N 3.37Å; L993-E996 WeakPolarHBondContact O-CB 3.22Å; L993-E996 PolarHBondContact O-N 2.82Å; E996-V999 PolarHBondContact O-N 3.3Å; E996-V1000 WeakPolarHBondContact O-CG2 3.43Å; E996-V1000 PolarHBondContact O-N 3.18Å; E996-V1000 VanDerWaalsContact O-N 3.1Å; E996-S1051 PolarHBondContact OE2-OG 2.75Å; E996-L1055 HydrophobicContact CB-CD1 4.07Å
997	L	86.4	Confident	85.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-46.4	179	175	61	0	0	0	112.2	L993 M994 V999 V1000 L1001 L1017 I1018 L1055 V1059 M1086	L993-L997 PolarHBondContact O-N 3.36Å; M994-L997 PolarHBondContact O-N 2.91Å; M994-L997 HydrophobicContact SD-CD2 4.16Å; L997-V999 VanDerWaalsContact C-N 3.3Å; L997-V999 PolarHBondContact O-N 2.85Å; L997-V1000 PolarHBondContact O-N 2.95Å; L997-L1001 VanDerWaalsContact O-CB 3.31Å; L997-L1001 WeakPolarHBondContact O-CB 3.21Å; L997-L1001 PolarHBondContact O-N 3.38Å; L997-L1017 HydrophobicContact CD1-CB 4.09Å; L997-L1017 HydrophobicContact CD1-CD1 4.07Å; L997-L1017 HydrophobicContact CD2-CB 3.88Å; L997-L1017 HydrophobicContact CD2-CD1 4.26Å; L997-I1018 HydrophobicContact CD2-CD1 4.24Å; L997-I1018 HydrophobicContact CD2-CG1 3.81Å; L997-L1055 HydrophobicContact CB-CD2 4.38Å; L997-L1055 HydrophobicContact CD1-CB 4.44Å; L997-L1055 HydrophobicContact CD1-CD2 4.2Å; L997-V1059 HydrophobicContact CD1-CG2 4.02Å; L997-M1086 HydrophobicContact CD2-CG 4.46Å; L997-M1086 HydrophobicContact CD2-SD 4.17Å
998	F	85.9	Confident	84.6	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-39.3	179	-85.7	-61.1	0	0	0	112.9	F936 V940 L951 I953 L982 M994 S1002 M1086	F936-F998 HydrophobicContact CE2-CB 3.76Å; F936-F998 HydrophobicContact CE2-CD2 4.39Å; F936-F998 HydrophobicContact CE2-CG 4.39Å; F936-F998 HydrophobicContact CZ-CB 4.25Å; F936-F998 HydrophobicContact CZ-CD2 4.12Å; F936-F998 HydrophobicContact CZ-CG 4.41Å; V940-F998 HydrophobicContact CG2-CB 4.27Å; V940-F998 HydrophobicContact CG2-CD1 4.07Å; V940-F998 HydrophobicContact CG2-CG 4.08Å; L951-F998 HydrophobicContact CD1-CE1 3.63Å; L951-F998 HydrophobicContact CD1-CZ 3.92Å; L951-F998 HydrophobicContact CD2-CE1 3.97Å; L951-F998 HydrophobicContact CG-CE1 4.38Å; I953-F998 HydrophobicContact CD1-CE2 3.93Å; I953-F998 HydrophobicContact CD1-CZ 4.07Å; L982-F998 HydrophobicContact CD2-CE2 4.19Å; M994-F998 HydrophobicContact CE-CE2 3.97Å; M994-F998 HydrophobicContact CE-CZ 4.41Å; M994-F998 VanDerWaalsContact O-CD2 3.22Å; M994-F998 WeakPolarHBondContact O-CD2 3.39Å; M994-F998 PolarHBondContact O-N 3.43Å; F998-S1002 VanDerWaalsContact O-CB 3.3Å; F998-S1002 WeakPolarHBondContact O-CB 3.21Å; F998-S1002 PolarHBondContact O-N 2.96Å; F998-M1086 HydrophobicContact CD1-CE 4.35Å; F998-M1086 HydrophobicContact CE1-CE 3.72Å; F998-M1086 HydrophobicContact CE1-SD 3.78Å; F998-M1086 HydrophobicContact CE2-SD 4.21Å; F998-M1086 HydrophobicContact CZ-CE 4.15Å; F998-M1086 HydrophobicContact CZ-SD 3.58Å; F998-M1086 VanDerWaalsContact CZ-SD 3.58Å
999	V	86	Confident	83.2	Confident	36 Å²	36	36.1 Å²	36.1	22%	0.218	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-46.3	175.5	173.7	0	0	0	0	110.8	P933 F936 V995 E996 L997 I1003	P933-V999 HydrophobicContact CG-CG2 4.23Å; F936-V999 HydrophobicContact CD2-CG2 4.29Å; V995-V999 WeakPolarHBondContact O-CG2 3.35Å; V995-V999 PolarHBondContact O-N 2.94Å; E996-V999 PolarHBondContact O-N 3.3Å; L997-V999 VanDerWaalsContact C-N 3.3Å; L997-V999 PolarHBondContact O-N 2.85Å; V999-I1003 HydrophobicContact CG1-CD1 3.76Å; V999-I1003 WeakPolarHBondContact O-CB 3.33Å; V999-I1003 WeakPolarHBondContact O-CD1 3.45Å; V999-I1003 VanDerWaalsContact O-CG1 3.24Å; V999-I1003 WeakPolarHBondContact O-CG1 3.42Å; V999-I1003 PolarHBondContact O-N 3.12Å; V999-I1003 VanDerWaalsContact O-N 3.09Å
1000	V	84.9	Confident	81.7	Confident	19 Å²	19	41.4 Å²	41.4	12%	0.115	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-47	177.3	170.2	0	0	0	0	111.7	E996 L997 I1003 I1004 L1055 A1056	E996-V1000 WeakPolarHBondContact O-CG2 3.43Å; E996-V1000 PolarHBondContact O-N 3.18Å; E996-V1000 VanDerWaalsContact O-N 3.1Å; L997-V1000 PolarHBondContact O-N 2.95Å; V1000-I1003 PolarHBondContact O-N 2.71Å; V1000-I1004 HydrophobicContact CG1-CD1 3.79Å; V1000-I1004 WeakPolarHBondContact O-CG1 3.38Å; V1000-I1004 PolarHBondContact O-N 2.8Å; V1000-I1004 VanDerWaalsContact O-N 3.13Å; V1000-L1055 HydrophobicContact CG1-CB 4.48Å; V1000-A1056 HydrophobicContact CG1-CB 3.81Å
1001	L	81.6	Confident	80.1	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-46.9	179.7	177.6	59.9	0	0	0	111.6	T943 L997 I1004 L1005 L1017 V1059 M1086	T943-L1001 HydrophobicContact CG2-CD2 3.74Å; T943-L1001 HydrophobicContact CG2-CG 4.22Å; L997-L1001 VanDerWaalsContact O-CB 3.31Å; L997-L1001 WeakPolarHBondContact O-CB 3.21Å; L997-L1001 PolarHBondContact O-N 3.38Å; L1001-I1004 PolarHBondContact O-N 3.1Å; L1001-L1005 HydrophobicContact CD1-CD1 4.08Å; L1001-L1005 HydrophobicContact CD1-CG 4.31Å; L1001-L1005 HydrophobicContact CG-CD1 4.01Å; L1001-L1005 WeakPolarHBondContact O-CB 3.46Å; L1001-L1005 PolarHBondContact O-N 2.92Å; L1001-L1017 HydrophobicContact CD2-CD1 4.44Å; L1001-V1059 HydrophobicContact CD1-CG1 3.97Å; L1001-V1059 HydrophobicContact CD1-CG2 4.29Å; L1001-M1086 HydrophobicContact CD2-CE 3.5Å; L1001-M1086 VanDerWaalsContact CD2-CE 3.5Å
1002	S	82.7	Confident	78.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-40.2	-179.9	-165.3	0	0	0	0	112.5	H939 F998 I1004 L1005 Q1006	H939-S1002 VanDerWaalsContact CA-OG 3.26Å; H939-S1002 WeakPolarHBondContact CA-OG 3.12Å; H939-S1002 WeakPolarHBondContact CB-OG 3.1Å; H939-S1002 PolarHBondContact CD2-OG 3.3Å; H939-S1002 WeakPolarHBondContact O-CB 3.32Å; H939-S1002 PolarHBondContact O-OG 3.19Å; F998-S1002 VanDerWaalsContact O-CB 3.3Å; F998-S1002 WeakPolarHBondContact O-CB 3.21Å; F998-S1002 PolarHBondContact O-N 2.96Å; S1002-I1004 VanDerWaalsContact C-N 3.28Å; S1002-I1004 PolarHBondContact O-N 2.87Å; S1002-L1005 PolarHBondContact O-N 3.28Å; S1002-Q1006 VanDerWaalsContact O-CB 3.28Å; S1002-Q1006 WeakPolarHBondContact O-CB 3.39Å; S1002-Q1006 PolarHBondContact O-N 3.07Å
1003	I	83.1	Confident	76.9	Confident	67 Å²	67	43.1 Å²	43.1	34%	0.344	21%	0.21	S	C	.	.	H	α-helix	trans	-62.4	-35.2	175.1	-70.4	167	0	0	0	111.8	V999 V1000	V999-I1003 HydrophobicContact CG1-CD1 3.76Å; V999-I1003 WeakPolarHBondContact O-CB 3.33Å; V999-I1003 WeakPolarHBondContact O-CD1 3.45Å; V999-I1003 VanDerWaalsContact O-CG1 3.24Å; V999-I1003 WeakPolarHBondContact O-CG1 3.42Å; V999-I1003 PolarHBondContact O-N 3.12Å; V999-I1003 VanDerWaalsContact O-N 3.09Å; V1000-I1003 PolarHBondContact O-N 2.71Å
1004	I	82	Confident	75.3	Confident	25 Å²	25	44.9 Å²	44.9	13%	0.128	22%	0.222	C	C	.	.	H	α-helix	trans	-76.8	-44.8	178.3	-65.8	166.2	0	0	0	110.8	V1000 L1001 S1002 Q1006 R1007 N1008 A1056 V1059 V1060 L1063	V1000-I1004 HydrophobicContact CG1-CD1 3.79Å; V1000-I1004 WeakPolarHBondContact O-CG1 3.38Å; V1000-I1004 PolarHBondContact O-N 2.8Å; V1000-I1004 VanDerWaalsContact O-N 3.13Å; L1001-I1004 PolarHBondContact O-N 3.1Å; S1002-I1004 VanDerWaalsContact C-N 3.28Å; S1002-I1004 PolarHBondContact O-N 2.87Å; I1004-Q1006 PolarHBondContact O-N 3.11Å; I1004-R1007 PolarHBondContact O-N 3.17Å; I1004-R1007 VanDerWaalsContact O-N 3.16Å; I1004-N1008 PolarHBondContact O-N 2.85Å; I1004-N1008 PolarHBondContact O-ND2 3.44Å; I1004-A1056 HydrophobicContact CD1-CB 4.12Å; I1004-V1059 HydrophobicContact CB-CG1 4.25Å; I1004-V1059 HydrophobicContact CD1-CB 3.95Å; I1004-V1059 HydrophobicContact CD1-CG1 3.64Å; I1004-V1059 HydrophobicContact CG2-CG1 4.03Å; I1004-V1060 HydrophobicContact CD1-CG2 4.47Å; I1004-L1063 HydrophobicContact CG2-CD1 3.63Å
1005	L	77.2	Confident	73.9	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-43.3	174.6	-85.2	169.5	0	0	0	112.4	T943 R946 L1001 S1002 R1007 N1008 F1013	T943-L1005 HydrophobicContact CG2-CD1 3.93Å; R946-L1005 HydrophobicContact CB-CD1 4.27Å; R946-L1005 HydrophobicContact CB-CD2 3.89Å; R946-L1005 HydrophobicContact CG-CD2 4.27Å; L1001-L1005 HydrophobicContact CD1-CD1 4.08Å; L1001-L1005 HydrophobicContact CD1-CG 4.31Å; L1001-L1005 HydrophobicContact CG-CD1 4.01Å; L1001-L1005 WeakPolarHBondContact O-CB 3.46Å; L1001-L1005 PolarHBondContact O-N 2.92Å; S1002-L1005 PolarHBondContact O-N 3.28Å; L1005-R1007 PolarHBondContact O-N 2.84Å; L1005-R1007 VanDerWaalsContact O-N 3.12Å; L1005-N1008 CarbonylContact O-C 3.59Å; L1005-N1008 PolarHBondContact O-N 3.09Å; L1005-N1008 VanDerWaalsContact O-N 3.09Å; L1005-F1013 HydrophobicContact CD2-CE2 3.64Å; L1005-F1013 HydrophobicContact CD2-CZ 4.39Å; L1005-F1013 HydrophobicContact CG-CE2 4.3Å
1006	Q	76.3	Confident	72.8	Confident	126 Å²	126	47.8 Å²	47.8	59%	0.589	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.9	178.9	-170.4	177.6	16.8	0	0	113	S1002 I1004	S1002-Q1006 VanDerWaalsContact O-CB 3.28Å; S1002-Q1006 WeakPolarHBondContact O-CB 3.39Å; S1002-Q1006 PolarHBondContact O-N 3.07Å; I1004-Q1006 PolarHBondContact O-N 3.11Å
1007	R	74.5	Confident	72	Confident	196 Å²	196	47 Å²	47	74%	0.74	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-15.4	177.6	-71.3	177.9	175	169.9	0.7	114.2	I1004 L1005	I1004-R1007 PolarHBondContact O-N 3.17Å; I1004-R1007 VanDerWaalsContact O-N 3.16Å; L1005-R1007 PolarHBondContact O-N 2.84Å; L1005-R1007 VanDerWaalsContact O-N 3.12Å
1008	N	71.1	Confident	71.4	Confident	60 Å²	60	47.2 Å²	47.2	32%	0.321	24%	0.237	S	C	.	.			trans	-138.4	69.3	-175	-50.2	-93.8	0	0	0	109.3	I1004 L1005 E1010 L1011	I1004-N1008 PolarHBondContact O-N 2.85Å; I1004-N1008 PolarHBondContact O-ND2 3.44Å; L1005-N1008 CarbonylContact O-C 3.59Å; L1005-N1008 PolarHBondContact O-N 3.09Å; L1005-N1008 VanDerWaalsContact O-N 3.09Å; N1008-E1010 PolarHBondContact O-N 2.57Å; N1008-L1011 HydrophobicContact CB-CD1 3.5Å; N1008-L1011 HydrophobicContact CB-CG 4.03Å
1009	P	59.6	Low	70.9	Confident	63 Å²	63	50.4 Å²	50.4	41%	0.409	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.4	-166.7	27.7	-36.5	0	0	0	115.3	R946 L1011	R946-P1009 PolarHBondContact NH1-O 3.46Å; P1009-L1011 VanDerWaalsContact C-N 3.33Å
1010	E	58.1	Low	70.7	Confident	139 Å²	139	50.5 Å²	50.5	65%	0.65	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	7.9	-178.9	61.6	-77.6	170.5	0	0	115.5	N1008	N1008-E1010 PolarHBondContact O-N 2.57Å
1011	L	55.8	Low	70.5	Confident	20 Å²	20	49.6 Å²	49.6	11%	0.105	25%	0.249	C	C	.	.			trans	-120.1	138	-166.8	-53	-176.3	0	0	0	114.6	N1008 P1009 F1013 L1063 N1067	N1008-L1011 HydrophobicContact CB-CD1 3.5Å; N1008-L1011 HydrophobicContact CB-CG 4.03Å; P1009-L1011 VanDerWaalsContact C-N 3.33Å; L1011-F1013 HydrophobicContact CB-CE1 3.55Å; L1011-F1013 HydrophobicContact CB-CE2 4.26Å; L1011-F1013 HydrophobicContact CB-CZ 3.22Å; L1011-F1013 HydrophobicContact CD1-CE1 4.3Å; L1011-F1013 HydrophobicContact CD1-CZ 4.02Å; L1011-F1013 HydrophobicContact CG-CZ 4.27Å; L1011-L1063 HydrophobicContact CD1-CD1 4.14Å; L1011-N1067 WeakPolarHBondContact CD2-ND2 3.43Å
1012	N	53.7	Low	70.5	Confident	89 Å²	89	49.8 Å²	49.8	48%	0.476	25%	0.25	S	S	.	.			trans	-132.7	150.2	177.6	-61	-6.2	0	0	0	110.5	R946	R946-N1012 PolarHBondContact O-OD1 2.96Å
1013	F	61.6	Low	70.6	Confident	24 Å²	24	50.9 Å²	50.9	11%	0.105	26%	0.258	C	S	.	.			trans	-146.3	162.8	-167.3	-37.9	-64.3	0	0	0	115.1	L1005 L1011 L1063 D1066	L1005-F1013 HydrophobicContact CD2-CE2 3.64Å; L1005-F1013 HydrophobicContact CD2-CZ 4.39Å; L1005-F1013 HydrophobicContact CG-CE2 4.3Å; L1011-F1013 HydrophobicContact CB-CE1 3.55Å; L1011-F1013 HydrophobicContact CB-CE2 4.26Å; L1011-F1013 HydrophobicContact CB-CZ 3.22Å; L1011-F1013 HydrophobicContact CD1-CE1 4.3Å; L1011-F1013 HydrophobicContact CD1-CZ 4.02Å; L1011-F1013 HydrophobicContact CG-CZ 4.27Å; F1013-L1063 HydrophobicContact CD1-CB 3.99Å; F1013-L1063 HydrophobicContact CD1-CD2 3.47Å; F1013-L1063 VanDerWaalsContact CD1-CD2 3.47Å; F1013-L1063 HydrophobicContact CD1-CG 4.2Å; F1013-L1063 HydrophobicContact CD2-CD2 3.5Å; F1013-L1063 VanDerWaalsContact CD2-CD2 3.5Å; F1013-L1063 VanDerWaalsContact CE1-CA 3.5Å; F1013-L1063 HydrophobicContact CE1-CB 3.39Å; F1013-L1063 HydrophobicContact CE1-CD1 4.07Å; F1013-L1063 HydrophobicContact CE1-CD2 3.29Å; F1013-L1063 HydrophobicContact CE1-CG 3.65Å; F1013-L1063 HydrophobicContact CE2-CD1 4.25Å; F1013-L1063 HydrophobicContact CE2-CD2 3.31Å; F1013-L1063 HydrophobicContact CE2-CG 4.24Å; F1013-L1063 HydrophobicContact CG-CD2 3.56Å; F1013-L1063 HydrophobicContact CZ-CB 3.87Å; F1013-L1063 HydrophobicContact CZ-CD1 3.62Å; F1013-L1063 HydrophobicContact CZ-CD2 3.17Å; F1013-L1063 HydrophobicContact CZ-CG 3.64Å; F1013-D1066 VanDerWaalsContact CA-OD2 3.31Å; F1013-D1066 WeakPolarHBondContact CA-OD2 3.46Å
1014	S	53.4	Low	70.7	Confident	39 Å²	39	49.4 Å²	49.4	27%	0.273	25%	0.248	S	C	.	.			trans	-155.1	89.9	174.6	53.3	0	0	0	0	113.2	D1066	S1014-D1066 PolarHBondContact N-OD2 3.09Å
1015	S	59	Low	70.8	Confident	17 Å²	17	48.7 Å²	48.7	12%	0.119	24%	0.244	C	C	.	.	S	Bend	trans	-160.1	146.5	-178.1	63.7	0	0	0	0	113.1	L1017 A1062 V1085	S1015-L1017 WeakPolarHBondContact O-CG 3.47Å; S1015-L1017 PolarHBondContact O-N 2.93Å; S1015-L1017 VanDerWaalsContact O-N 3.12Å; S1015-A1062 WeakPolarHBondContact OG-CB 3.38Å; S1015-V1085 CarbonylContact C-O 3.53Å
1016	N	67	Low	71.3	Confident	46 Å²	46	48.4 Å²	48.4	25%	0.246	24%	0.243	C	C	.	.			trans	-71	102.9	175.9	-174.4	-82.7	0	0	0	112.7	T1019 E1020 V1085 M1086	N1016-T1019 WeakPolarHBondContact OD1-CB 3.32Å; N1016-T1019 PolarHBondContact OD1-N 3.12Å; N1016-T1019 PolarHBondContact OD1-OG1 2.81Å; N1016-E1020 WeakPolarHBondContact O-CG 3.47Å; N1016-V1085 WeakPolarHBondContact CA-O 3.37Å; N1016-V1085 HydrophobicContact CB-CG1 4.12Å; N1016-M1086 PolarHBondContact ND2-O 3.35Å; N1016-M1086 PolarHBondContact ND2-OXT 3.11Å
1017	L	72.8	Confident	71.8	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-76.6	-34.7	-168.3	-64.4	171.2	0	0	0	114.5	L997 L1001 S1015 A1021 A1058 V1059 A1062 V1084	L997-L1017 HydrophobicContact CD1-CB 4.09Å; L997-L1017 HydrophobicContact CD1-CD1 4.07Å; L997-L1017 HydrophobicContact CD2-CB 3.88Å; L997-L1017 HydrophobicContact CD2-CD1 4.26Å; L1001-L1017 HydrophobicContact CD2-CD1 4.44Å; S1015-L1017 WeakPolarHBondContact O-CG 3.47Å; S1015-L1017 PolarHBondContact O-N 2.93Å; S1015-L1017 VanDerWaalsContact O-N 3.12Å; L1017-A1021 WeakPolarHBondContact O-CB 3.32Å; L1017-A1021 PolarHBondContact O-N 2.72Å; L1017-A1058 WeakPolarHBondContact O-CB 3.29Å; L1017-V1059 HydrophobicContact CD1-CG2 4.07Å; L1017-V1059 HydrophobicContact CD2-CG2 4.21Å; L1017-A1062 HydrophobicContact CD2-CB 3.97Å; L1017-V1084 HydrophobicContact CD1-CG1 4.46Å
1018	I	72.6	Confident	72.3	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-73.9	-41.6	-177.5	-64.2	-175.4	0	0	0	111.3	Y990 L993 M994 L997 E1020 A1021 V1022 L1055	Y990-I1018 HydrophobicContact CE1-CD1 4.42Å; Y990-I1018 HydrophobicContact CE2-CD1 3.99Å; Y990-I1018 HydrophobicContact CE2-CG2 3.98Å; L993-I1018 HydrophobicContact CD2-CD1 4.25Å; L993-I1018 HydrophobicContact CD2-CG2 3.91Å; M994-I1018 HydrophobicContact CG-CD1 3.84Å; M994-I1018 HydrophobicContact SD-CD1 3.4Å; M994-I1018 WeakPolarHBondContact SD-CD1 3.4Å; M994-I1018 HydrophobicContact SD-CG1 4.37Å; L997-I1018 HydrophobicContact CD2-CD1 4.24Å; L997-I1018 HydrophobicContact CD2-CG1 3.81Å; I1018-E1020 VanDerWaalsContact C-N 3.26Å; I1018-E1020 PolarHBondContact O-N 3Å; I1018-A1021 PolarHBondContact O-N 3.37Å; I1018-V1022 HydrophobicContact CG2-CG2 4.31Å; I1018-V1022 WeakPolarHBondContact O-CG2 3.29Å; I1018-V1022 PolarHBondContact O-N 2.97Å; I1018-L1055 HydrophobicContact CG1-CD2 4.42Å
1019	T	76.7	Confident	73	Confident	68 Å²	68	46.8 Å²	46.8	42%	0.417	24%	0.237	S	C	.	.	H	α-helix	trans	-64.2	-34.6	179.4	-55.4	0	0	0	0	111.3	N1016 S1023	N1016-T1019 WeakPolarHBondContact OD1-CB 3.32Å; N1016-T1019 PolarHBondContact OD1-N 3.12Å; N1016-T1019 PolarHBondContact OD1-OG1 2.81Å; T1019-S1023 VanDerWaalsContact O-CB 3.31Å; T1019-S1023 WeakPolarHBondContact O-CB 3.36Å; T1019-S1023 PolarHBondContact O-N 3.01Å; T1019-S1023 PolarHBondContact O-OG 3.39Å
1020	E	80.6	Confident	74.2	Confident	37 Å²	37	51.1 Å²	51.1	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-70	-42.4	172.6	-69.9	-167.7	-168.2	0	0	113	N1016 I1018 V1022 S1023 Y1024 A1058 R1065	N1016-E1020 WeakPolarHBondContact O-CG 3.47Å; I1018-E1020 VanDerWaalsContact C-N 3.26Å; I1018-E1020 PolarHBondContact O-N 3Å; E1020-V1022 VanDerWaalsContact C-N 3.33Å; E1020-V1022 PolarHBondContact O-N 3.39Å; E1020-S1023 PolarHBondContact O-N 3.21Å; E1020-S1023 VanDerWaalsContact O-N 3.14Å; E1020-Y1024 HydrophobicContact CB-CE2 4.35Å; E1020-Y1024 VanDerWaalsContact O-CD2 3.24Å; E1020-Y1024 WeakPolarHBondContact O-CD2 3.4Å; E1020-Y1024 PolarHBondContact O-N 2.94Å; E1020-A1058 HydrophobicContact CB-CB 3.99Å; E1020-R1065 VanDerWaalsContact CD-NH1 3.33Å; E1020-R1065 VanDerWaalsContact CD-NH2 3.34Å; E1020-R1065 IonicContact OE1-CZ 3.85Å; E1020-R1065 IonicContact OE1-NH1 3.52Å; E1020-R1065 PolarHBondContact OE1-NH1 3.05Å; E1020-R1065 IonicContact OE1-NH2 3.34Å; E1020-R1065 IonicContact OE2-CZ 3.56Å; E1020-R1065 VanDerWaalsContact OE2-CZ 3.31Å; E1020-R1065 IonicContact OE2-NH1 3.7Å; E1020-R1065 PolarHBondContact OE2-NH1 2.84Å; E1020-R1065 IonicContact OE2-NH2 2.79Å; E1020-R1065 PolarHBondContact OE2-NH2 3.29Å
1021	A	80.9	Confident	75.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-43.1	176.6	0	0	0	0	0	112.2	L1017 I1018 Y1025 F1040 L1055 A1058	L1017-A1021 WeakPolarHBondContact O-CB 3.32Å; L1017-A1021 PolarHBondContact O-N 2.72Å; I1018-A1021 PolarHBondContact O-N 3.37Å; A1021-Y1025 PolarHBondContact O-N 3.09Å; A1021-Y1025 VanDerWaalsContact O-N 3.14Å; A1021-F1040 HydrophobicContact CB-CZ 4.04Å; A1021-L1055 HydrophobicContact CB-CD2 3.82Å; A1021-L1055 HydrophobicContact CB-CG 4.41Å; A1021-A1058 HydrophobicContact CB-CB 3.8Å
1022	V	81.7	Confident	76.7	Confident	8 Å²	8	53 Å²	53	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-68.1	-36	175	177.3	0	0	0	0	111.5	I1018 E1020 Y1025 A1026 A1036 K1037 F1040	I1018-V1022 HydrophobicContact CG2-CG2 4.31Å; I1018-V1022 WeakPolarHBondContact O-CG2 3.29Å; I1018-V1022 PolarHBondContact O-N 2.97Å; E1020-V1022 VanDerWaalsContact C-N 3.33Å; E1020-V1022 PolarHBondContact O-N 3.39Å; V1022-Y1025 PolarHBondContact O-N 2.97Å; V1022-A1026 WeakPolarHBondContact O-CB 3.39Å; V1022-A1026 PolarHBondContact O-N 3.06Å; V1022-A1036 HydrophobicContact CG1-CB 4.1Å; V1022-K1037 HydrophobicContact CG1-CB 4.46Å; V1022-K1037 HydrophobicContact CG1-CG 3.78Å; V1022-F1040 HydrophobicContact CG2-CB 4.17Å; V1022-F1040 HydrophobicContact CG2-CD1 3.81Å; V1022-F1040 HydrophobicContact CG2-CD2 4.34Å; V1022-F1040 HydrophobicContact CG2-CE1 4.24Å; V1022-F1040 HydrophobicContact CG2-CG 3.87Å
1023	S	84.3	Confident	77.7	Confident	25 Å²	25	53.4 Å²	53.4	18%	0.175	27%	0.265	C	S	.	.	H	α-helix	trans	-69.1	-40.9	178.1	-59.8	0	0	0	0	112.1	T1019 E1020 Y1025 A1026 E1027 Q1033	T1019-S1023 VanDerWaalsContact O-CB 3.31Å; T1019-S1023 WeakPolarHBondContact O-CB 3.36Å; T1019-S1023 PolarHBondContact O-N 3.01Å; T1019-S1023 PolarHBondContact O-OG 3.39Å; E1020-S1023 PolarHBondContact O-N 3.21Å; E1020-S1023 VanDerWaalsContact O-N 3.14Å; S1023-Y1025 VanDerWaalsContact C-N 3.27Å; S1023-Y1025 PolarHBondContact O-N 3.46Å; S1023-A1026 WeakPolarHBondContact O-CB 3.49Å; S1023-A1026 PolarHBondContact O-N 3.08Å; S1023-E1027 WeakPolarHBondContact O-CG 3.48Å; S1023-E1027 PolarHBondContact O-N 2.82Å; S1023-Q1033 PolarHBondContact OG-NE2 2.96Å
1024	Y	85.5	Confident	78.3	Confident	35 Å²	35	60.2 Å²	60.2	14%	0.137	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-32.6	171.7	-69.6	-45.1	0	0	0	112.8	E1020 E1028 R1057 A1058 S1061 R1065	E1020-Y1024 HydrophobicContact CB-CE2 4.35Å; E1020-Y1024 VanDerWaalsContact O-CD2 3.24Å; E1020-Y1024 WeakPolarHBondContact O-CD2 3.4Å; E1020-Y1024 PolarHBondContact O-N 2.94Å; Y1024-E1028 VanDerWaalsContact O-CB 3.24Å; Y1024-E1028 WeakPolarHBondContact O-CB 3.05Å; Y1024-E1028 PolarHBondContact O-N 3.17Å; Y1024-E1028 VanDerWaalsContact O-N 3.11Å; Y1024-R1057 HydrophobicContact CD2-CG 3.94Å; Y1024-R1057 HydrophobicContact CE2-CG 4.27Å; Y1024-R1057 HydrophobicContact CG-CG 4.37Å; Y1024-A1058 HydrophobicContact CD2-CB 4.48Å; Y1024-S1061 WeakPolarHBondContact OH-CB 3.31Å; Y1024-R1065 PolarHBondContact OH-NH2 3.12Å
1025	Y	85.1	Confident	79.6	Confident	10 Å²	10	63.8 Å²	63.8	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-70.7	-40.3	171.8	174.1	-104	0	0	0	112.4	A1021 V1022 S1023 E1028 R1029 L1031 A1036 S1039 F1040 L1043 Y1054	A1021-Y1025 PolarHBondContact O-N 3.09Å; A1021-Y1025 VanDerWaalsContact O-N 3.14Å; V1022-Y1025 PolarHBondContact O-N 2.97Å; S1023-Y1025 VanDerWaalsContact C-N 3.27Å; S1023-Y1025 PolarHBondContact O-N 3.46Å; Y1025-E1028 PolarHBondContact O-N 3.38Å; Y1025-R1029 HydrophobicContact CD2-CG 3.92Å; Y1025-R1029 HydrophobicContact CE2-CG 3.55Å; Y1025-R1029 WeakPolarHBondContact O-CB 3.39Å; Y1025-R1029 WeakPolarHBondContact O-CG 3.06Å; Y1025-R1029 PolarHBondContact O-N 2.95Å; Y1025-L1031 HydrophobicContact CE1-CD1 3.79Å; Y1025-A1036 HydrophobicContact CD1-CB 4.26Å; Y1025-S1039 PolarHBondContact OH-OG 3.05Å; Y1025-F1040 HydrophobicContact CD1-CB 4.19Å; Y1025-F1040 AromaticContact CD1-CD2 3.86Å; Y1025-F1040 HydrophobicContact CD1-CD2 3.86Å; Y1025-F1040 HydrophobicContact CD2-CD2 4.31Å; Y1025-F1040 HydrophobicContact CE1-CB 4.44Å; Y1025-F1040 AromaticContact CG-CD2 3.69Å; Y1025-F1040 HydrophobicContact CG-CD2 3.69Å; Y1025-F1040 HydrophobicContact CG-CE2 4.31Å; Y1025-L1043 HydrophobicContact CD2-CD1 3.82Å; Y1025-L1043 HydrophobicContact CE2-CD1 3.69Å; Y1025-L1043 HydrophobicContact CE2-CD2 4.11Å; Y1025-L1043 HydrophobicContact CE2-CG 4.36Å; Y1025-L1043 HydrophobicContact CG-CD1 4.4Å; Y1025-Y1054 HydrophobicContact CD2-CD2 4.24Å; Y1025-Y1054 HydrophobicContact CD2-CE1 4.31Å; Y1025-Y1054 AromaticContact CD2-CE2 3.69Å; Y1025-Y1054 HydrophobicContact CD2-CE2 3.69Å; Y1025-Y1054 AromaticContact CD2-CZ 3.76Å; Y1025-Y1054 HydrophobicContact CE2-CE2 4.45Å
1026	A	86.3	Confident	80.6	Confident	3 Å²	3	63 Å²	63	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-49.2	175.5	0	0	0	0	0	111.6	V1022 S1023 R1029 N1030 L1031 A1036	V1022-A1026 WeakPolarHBondContact O-CB 3.39Å; V1022-A1026 PolarHBondContact O-N 3.06Å; S1023-A1026 WeakPolarHBondContact O-CB 3.49Å; S1023-A1026 PolarHBondContact O-N 3.08Å; A1026-R1029 PolarHBondContact O-N 3.42Å; A1026-N1030 WeakPolarHBondContact O-CA 3.5Å; A1026-N1030 PolarHBondContact O-N 2.86Å; A1026-L1031 PolarHBondContact O-N 2.83Å; A1026-L1031 VanDerWaalsContact O-N 3.11Å; A1026-A1036 HydrophobicContact CB-CB 3.53Å
1027	E	86.7	Confident	81.2	Confident	121 Å²	121	66.3 Å²	66.3	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-58.1	-47.5	175	-72.6	171.9	-176.2	0	0	112.1	S1023 R1029	S1023-E1027 WeakPolarHBondContact O-CG 3.48Å; S1023-E1027 PolarHBondContact O-N 2.82Å; E1027-R1029 VanDerWaalsContact C-N 3.27Å; E1027-R1029 PolarHBondContact O-N 3.47Å
1028	E	86.4	Confident	81.5	Confident	99 Å²	99	69.4 Å²	69.4	46%	0.463	34%	0.338	S	S	.	.	H	α-helix	trans	-72.9	-18.7	-176.2	-164.7	174.3	108.1	0	0	113.3	Y1024 Y1025 Y1054 R1057	Y1024-E1028 VanDerWaalsContact O-CB 3.24Å; Y1024-E1028 WeakPolarHBondContact O-CB 3.05Å; Y1024-E1028 PolarHBondContact O-N 3.17Å; Y1024-E1028 VanDerWaalsContact O-N 3.11Å; Y1025-E1028 PolarHBondContact O-N 3.38Å; E1028-Y1054 HydrophobicContact CB-CE1 4.47Å; E1028-Y1054 WeakPolarHBondContact OE1-CE1 3.36Å; E1028-Y1054 PolarHBondContact OE1-OH 2.98Å; E1028-R1057 IonicContact OE2-CZ 2.62Å; E1028-R1057 IonicContact OE2-NH1 3.34Å; E1028-R1057 PolarHBondContact OE2-NH1 3.14Å
1029	R	84.6	Confident	82	Confident	128 Å²	128	70.7 Å²	70.7	48%	0.483	35%	0.348	S	S	.	.	H	α-helix	trans	-109.6	-6.7	178.6	-61.8	-55.2	-173.9	118.9	-0.2	114.9	Y1025 A1026 E1027 L1031	Y1025-R1029 HydrophobicContact CD2-CG 3.92Å; Y1025-R1029 HydrophobicContact CE2-CG 3.55Å; Y1025-R1029 WeakPolarHBondContact O-CB 3.39Å; Y1025-R1029 WeakPolarHBondContact O-CG 3.06Å; Y1025-R1029 PolarHBondContact O-N 2.95Å; A1026-R1029 PolarHBondContact O-N 3.42Å; E1027-R1029 VanDerWaalsContact C-N 3.27Å; E1027-R1029 PolarHBondContact O-N 3.47Å; R1029-L1031 HydrophobicContact CB-CD1 3.85Å; R1029-L1031 HydrophobicContact CB-CG 3.77Å
1030	N	85.2	Confident	82.5	Confident	153 Å²	153	67.5 Å²	67.5	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	47	-170.5	-56.9	-79.5	0	0	0	112.9	A1026	A1026-N1030 WeakPolarHBondContact O-CA 3.5Å; A1026-N1030 PolarHBondContact O-N 2.86Å
1031	L	84.7	Confident	82.5	Confident	43 Å²	43	67.6 Å²	67.6	23%	0.225	33%	0.329	C	S	.	.			trans	-103.9	148.8	176.3	-60.7	175.1	0	0	0	110.7	Y1025 A1026 R1029 E1035 A1036	Y1025-L1031 HydrophobicContact CE1-CD1 3.79Å; A1026-L1031 PolarHBondContact O-N 2.83Å; A1026-L1031 VanDerWaalsContact O-N 3.11Å; R1029-L1031 HydrophobicContact CB-CD1 3.85Å; R1029-L1031 HydrophobicContact CB-CG 3.77Å; L1031-E1035 HydrophobicContact CD2-CG 4.46Å; L1031-A1036 HydrophobicContact CB-CB 4.08Å
1032	E	81.7	Confident	82.6	Confident	156 Å²	156	70.9 Å²	70.9	73%	0.729	35%	0.349	S	S	*	.			trans	-67.6	145.6	168.8	-67.8	-165.7	168.9	0	0	110.7	Q1034 E1035 A1036	E1032-Q1034 PolarHBondContact O-N 3.33Å; E1032-E1035 PolarHBondContact O-N 2.86Å; E1032-A1036 WeakPolarHBondContact O-CB 3.46Å; E1032-A1036 PolarHBondContact O-N 2.93Å
1033	Q	74.9	Confident	82.7	Confident	97 Å²	97	71.6 Å²	71.6	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-51.5	-29.4	-173.1	-119.1	72.1	5.4	0	0	115	S1023 K1037	S1023-Q1033 PolarHBondContact OG-NE2 2.96Å; Q1033-K1037 WeakPolarHBondContact O-CG 3.49Å; Q1033-K1037 PolarHBondContact O-N 2.79Å; Q1033-K1037 VanDerWaalsContact O-N 3.12Å
1034	Q	75.2	Confident	82.6	Confident	168 Å²	168	75.2 Å²	75.2	79%	0.785	36%	0.363	S	S	*	.	H	α-helix	trans	-82.4	-36	-177.5	-161.3	159.3	-11.2	0	0	112.5	E1032 S1038	E1032-Q1034 PolarHBondContact O-N 3.33Å; Q1034-S1038 PolarHBondContact O-N 3.09Å
1035	E	79.5	Confident	82	Confident	114 Å²	114	76.8 Å²	76.8	53%	0.533	38%	0.378	S	S	.	.	H	α-helix	trans	-73.2	-38.1	169	-177.4	179.6	-155.8	0	0	111.3	L1031 E1032 K1037 S1038 S1039	L1031-E1035 HydrophobicContact CD2-CG 4.46Å; E1032-E1035 PolarHBondContact O-N 2.86Å; E1035-K1037 VanDerWaalsContact C-N 3.29Å; E1035-K1037 PolarHBondContact O-N 2.79Å; E1035-S1038 PolarHBondContact O-N 3.42Å; E1035-S1038 PolarHBondContact O-OG 3.19Å; E1035-S1039 VanDerWaalsContact O-CB 3.3Å; E1035-S1039 WeakPolarHBondContact O-CB 3.33Å; E1035-S1039 PolarHBondContact O-N 3.46Å
1036	A	80.4	Confident	81.5	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-58.5	-41.2	173.5	0	0	0	0	0	111.5	V1022 Y1025 A1026 L1031 E1032 F1040	V1022-A1036 HydrophobicContact CG1-CB 4.1Å; Y1025-A1036 HydrophobicContact CD1-CB 4.26Å; A1026-A1036 HydrophobicContact CB-CB 3.53Å; L1031-A1036 HydrophobicContact CB-CB 4.08Å; E1032-A1036 WeakPolarHBondContact O-CB 3.46Å; E1032-A1036 PolarHBondContact O-N 2.93Å; A1036-F1040 WeakPolarHBondContact O-CB 3.41Å; A1036-F1040 PolarHBondContact O-N 2.91Å
1037	K	79.5	Confident	80.1	Confident	116 Å²	116	89.1 Å²	89.1	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-59.3	-50.7	174.7	-83.9	-179.9	178.8	-174	0	112.6	V1022 Q1033 E1035 L1041	V1022-K1037 HydrophobicContact CG1-CB 4.46Å; V1022-K1037 HydrophobicContact CG1-CG 3.78Å; Q1033-K1037 WeakPolarHBondContact O-CG 3.49Å; Q1033-K1037 PolarHBondContact O-N 2.79Å; Q1033-K1037 VanDerWaalsContact O-N 3.12Å; E1035-K1037 VanDerWaalsContact C-N 3.29Å; E1035-K1037 PolarHBondContact O-N 2.79Å; K1037-L1041 WeakPolarHBondContact O-CG 3.27Å; K1037-L1041 PolarHBondContact O-N 3.46Å
1038	S	79.7	Confident	78.8	Confident	71 Å²	71	86.5 Å²	86.5	50%	0.497	45%	0.452	S	S	.	.	H	α-helix	trans	-67.8	-41.7	-179.4	54.1	0	0	0	0	111.9	Q1034 E1035 L1041	Q1034-S1038 PolarHBondContact O-N 3.09Å; E1035-S1038 PolarHBondContact O-N 3.42Å; E1035-S1038 PolarHBondContact O-OG 3.19Å; S1038-L1041 PolarHBondContact O-N 3.01Å
1039	S	83.6	Confident	78.1	Confident	33 Å²	33	83.5 Å²	83.5	23%	0.231	45%	0.447	C	S	.	.	H	α-helix	trans	-65.7	-39.3	177.2	-174	0	0	0	0	112.7	Y1025 E1035 L1041 T1042	Y1025-S1039 PolarHBondContact OH-OG 3.05Å; E1035-S1039 VanDerWaalsContact O-CB 3.3Å; E1035-S1039 WeakPolarHBondContact O-CB 3.33Å; E1035-S1039 PolarHBondContact O-N 3.46Å; S1039-L1041 VanDerWaalsContact C-N 3.27Å; S1039-L1041 PolarHBondContact O-N 3.22Å; S1039-T1042 WeakPolarHBondContact O-CA 3.49Å; S1039-T1042 WeakPolarHBondContact O-CB 3.37Å; S1039-T1042 PolarHBondContact O-N 2.97Å; S1039-T1042 PolarHBondContact O-OG1 3.3Å
1040	F	85.1	Confident	77.9	Confident	1 Å²	1	77.7 Å²	77.7	0%	0.004	43%	0.427	C	S	.	.	H	α-helix	trans	-58.8	-37.5	178.1	-165.6	-98	0	0	0	112.8	L993 A1021 V1022 Y1025 A1036 T1042 L1043 Y1054 L1055	L993-F1040 HydrophobicContact CD1-CD1 4.3Å; L993-F1040 HydrophobicContact CD1-CE1 4Å; L993-F1040 HydrophobicContact CD2-CD1 4.1Å; L993-F1040 HydrophobicContact CD2-CE1 4.04Å; A1021-F1040 HydrophobicContact CB-CZ 4.04Å; V1022-F1040 HydrophobicContact CG2-CB 4.17Å; V1022-F1040 HydrophobicContact CG2-CD1 3.81Å; V1022-F1040 HydrophobicContact CG2-CD2 4.34Å; V1022-F1040 HydrophobicContact CG2-CE1 4.24Å; V1022-F1040 HydrophobicContact CG2-CG 3.87Å; Y1025-F1040 HydrophobicContact CD1-CB 4.19Å; Y1025-F1040 AromaticContact CD1-CD2 3.86Å; Y1025-F1040 HydrophobicContact CD1-CD2 3.86Å; Y1025-F1040 HydrophobicContact CD2-CD2 4.31Å; Y1025-F1040 HydrophobicContact CE1-CB 4.44Å; Y1025-F1040 AromaticContact CG-CD2 3.69Å; Y1025-F1040 HydrophobicContact CG-CD2 3.69Å; Y1025-F1040 HydrophobicContact CG-CE2 4.31Å; A1036-F1040 WeakPolarHBondContact O-CB 3.41Å; A1036-F1040 PolarHBondContact O-N 2.91Å; F1040-T1042 PolarHBondContact O-N 2.95Å; F1040-T1042 VanDerWaalsContact O-N 3.16Å; F1040-L1043 HydrophobicContact CD2-CD1 3.6Å; F1040-L1043 HydrophobicContact CE2-CD1 3.97Å; F1040-L1043 HydrophobicContact CG-CD1 4.22Å; F1040-L1043 WeakPolarHBondContact O-CB 3.35Å; F1040-L1043 PolarHBondContact O-N 3.16Å; F1040-Y1054 AromaticContact CE2-CD2 3.86Å; F1040-Y1054 HydrophobicContact CE2-CD2 3.86Å; F1040-Y1054 AromaticContact CE2-CG 3.96Å; F1040-Y1054 HydrophobicContact CE2-CG 3.96Å; F1040-L1055 HydrophobicContact CZ-CG 4.4Å
1041	L	81.9	Confident	77.9	Confident	38 Å²	38	70.4 Å²	70.4	20%	0.199	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.5	175.8	-65.6	167.2	0	0	0	113.2	L920 R923 E989 L993 K1037 S1038 S1039	L920-L1041 HydrophobicContact CD1-CB 4.05Å; R923-L1041 VanDerWaalsContact NH1-C 3.29Å; R923-L1041 PolarHBondContact NH1-O 3.1Å; E989-L1041 HydrophobicContact CB-CD2 4.44Å; E989-L1041 HydrophobicContact CG-CD1 4.21Å; E989-L1041 HydrophobicContact CG-CD2 4.15Å; L993-L1041 HydrophobicContact CD2-CD2 4.23Å; K1037-L1041 WeakPolarHBondContact O-CG 3.27Å; K1037-L1041 PolarHBondContact O-N 3.46Å; S1038-L1041 PolarHBondContact O-N 3.01Å; S1039-L1041 VanDerWaalsContact C-N 3.27Å; S1039-L1041 PolarHBondContact O-N 3.22Å
1042	T	83.5	Confident	77.9	Confident	69 Å²	69	69.8 Å²	69.8	42%	0.423	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.8	173.9	77.6	0	0	0	0	114.4	A919 S1039 F1040	A919-T1042 VanDerWaalsContact CB-O 3.28Å; A919-T1042 WeakPolarHBondContact CB-O 3.47Å; S1039-T1042 WeakPolarHBondContact O-CA 3.49Å; S1039-T1042 WeakPolarHBondContact O-CB 3.37Å; S1039-T1042 PolarHBondContact O-N 2.97Å; S1039-T1042 PolarHBondContact O-OG1 3.3Å; F1040-T1042 PolarHBondContact O-N 2.95Å; F1040-T1042 VanDerWaalsContact O-N 3.16Å
1043	L	82.6	Confident	78.1	Confident	23 Å²	23	64 Å²	64	12%	0.12	37%	0.366	C	S	.	.			trans	-76.6	126.6	179.9	-62.6	176.3	0	0	0	111.8	R923 Y1025 F1040 Y1054	R923-L1043 VanDerWaalsContact CZ-O 3.23Å; R923-L1043 PolarHBondContact NH1-O 3.41Å; R923-L1043 PolarHBondContact NH2-O 3.11Å; Y1025-L1043 HydrophobicContact CD2-CD1 3.82Å; Y1025-L1043 HydrophobicContact CE2-CD1 3.69Å; Y1025-L1043 HydrophobicContact CE2-CD2 4.11Å; Y1025-L1043 HydrophobicContact CE2-CG 4.36Å; Y1025-L1043 HydrophobicContact CG-CD1 4.4Å; F1040-L1043 HydrophobicContact CD2-CD1 3.6Å; F1040-L1043 HydrophobicContact CE2-CD1 3.97Å; F1040-L1043 HydrophobicContact CG-CD1 4.22Å; F1040-L1043 WeakPolarHBondContact O-CB 3.35Å; F1040-L1043 PolarHBondContact O-N 3.16Å; L1043-Y1054 HydrophobicContact CD1-CD2 4.17Å; L1043-Y1054 HydrophobicContact CD1-CE2 4.14Å
1044	Y	82.1	Confident	78.6	Confident	101 Å²	101	59.6 Å²	59.6	40%	0.396	35%	0.345	S	S	.	.			trans	-63.6	146.7	170.7	-70	-79.5	0	0	0	112.2	L917 A919 Q1046 G1050 S1051	L917-Y1044 PolarHBondContact O-OH 2.85Å; A919-Y1044 HydrophobicContact CB-CD1 3.62Å; A919-Y1044 HydrophobicContact CB-CD2 4.23Å; A919-Y1044 HydrophobicContact CB-CE1 3.68Å; A919-Y1044 HydrophobicContact CB-CE2 4.3Å; A919-Y1044 HydrophobicContact CB-CG 3.9Å; Y1044-Q1046 PolarHBondContact O-N 3.02Å; Y1044-G1050 CarbonylContact O-C 3.36Å; Y1044-G1050 WeakPolarHBondContact O-CA 3.44Å; Y1044-S1051 PolarHBondContact O-N 2.79Å; Y1044-S1051 VanDerWaalsContact O-N 3.11Å
1045	P	73	Confident	79.1	Confident	69 Å²	69	51.6 Å²	51.6	45%	0.448	31%	0.308	S	S	.	.	S	Bend	trans	-73.3	90.9	170.9	29	-33.1	0	0	0	110.8	S1051 S1052	P1045-S1051 WeakPolarHBondContact CA-OG 3.44Å; P1045-S1052 VanDerWaalsContact CA-OG 3.32Å; P1045-S1052 WeakPolarHBondContact CA-OG 3.27Å; P1045-S1052 VanDerWaalsContact CB-OG 3.29Å; P1045-S1052 WeakPolarHBondContact CB-OG 3.39Å
1046	Q	74.8	Confident	79.3	Confident	123 Å²	123	47.5 Å²	47.5	58%	0.575	29%	0.294	S	S	*	.			trans	-139.3	155.8	-178.9	-63.7	-173.3	15.8	0	0	111.8	Y1044 G1048	Y1044-Q1046 PolarHBondContact O-N 3.02Å; Q1046-G1048 PolarHBondContact O-N 3.14Å
1047	T	57.3	Low	79.6	Confident	148 Å²	148	51.9 Å²	51.9	91%	0.908	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	113.4	177.5	49.8	0	0	0	0	111.4
1048	G	59.3	Low	79.8	Confident	67 Å²	67	46.4 Å²	46.4	69%	0.691	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	106.6	-177.8	0	0	0	0	0	111.9	Q1046 G1050	Q1046-G1048 PolarHBondContact O-N 3.14Å; G1048-G1050 PolarHBondContact O-N 2.69Å; G1048-G1050 VanDerWaalsContact O-N 3.1Å
1049	G	71.6	Confident	79.7	Confident	35 Å²	35	43 Å²	43	36%	0.361	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	-6.6	177.4	0	0	0	0	0	116.9
1050	G	81.2	Confident	79.6	Confident	7 Å²	7	44.6 Å²	44.6	7%	0.072	27%	0.271	C	S	.	.	S	Bend	trans	-84.7	169.7	170.9	0	0	0	0	0	113.5	Y1044 G1048 S1052 A1053 Y1054	Y1044-G1050 CarbonylContact O-C 3.36Å; Y1044-G1050 WeakPolarHBondContact O-CA 3.44Å; G1048-G1050 PolarHBondContact O-N 2.69Å; G1048-G1050 VanDerWaalsContact O-N 3.1Å; G1050-S1052 VanDerWaalsContact C-N 3.28Å; G1050-S1052 PolarHBondContact O-N 3.38Å; G1050-A1053 WeakPolarHBondContact O-CB 3.4Å; G1050-A1053 PolarHBondContact O-N 3.42Å; G1050-Y1054 WeakPolarHBondContact O-CD2 3.37Å
1051	S	84.7	Confident	79.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-50.9	-47.1	-177.5	56.1	0	0	0	0	112.4	R923 E996 Y1044 P1045 A1053 Y1054 L1055	R923-S1051 VanDerWaalsContact NH2-CB 3.33Å; R923-S1051 PolarHBondContact NH2-OG 2.97Å; E996-S1051 PolarHBondContact OE2-OG 2.75Å; Y1044-S1051 PolarHBondContact O-N 2.79Å; Y1044-S1051 VanDerWaalsContact O-N 3.11Å; P1045-S1051 WeakPolarHBondContact CA-OG 3.44Å; S1051-A1053 PolarHBondContact O-N 3.34Å; S1051-A1053 VanDerWaalsContact O-N 3.16Å; S1051-Y1054 PolarHBondContact O-N 2.99Å; S1051-Y1054 VanDerWaalsContact O-N 3.1Å; S1051-L1055 WeakPolarHBondContact O-CG 3.18Å; S1051-L1055 PolarHBondContact O-N 3.3Å
1052	S	84	Confident	79	Confident	30 Å²	30	44.1 Å²	44.1	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-27.4	-178.5	-44	0	0	0	0	113.6	P1045 G1050 A1056	P1045-S1052 VanDerWaalsContact CA-OG 3.32Å; P1045-S1052 WeakPolarHBondContact CA-OG 3.27Å; P1045-S1052 VanDerWaalsContact CB-OG 3.29Å; P1045-S1052 WeakPolarHBondContact CB-OG 3.39Å; G1050-S1052 VanDerWaalsContact C-N 3.28Å; G1050-S1052 PolarHBondContact O-N 3.38Å; S1052-A1056 WeakPolarHBondContact O-CB 3.28Å; S1052-A1056 PolarHBondContact O-N 3.2Å
1053	A	85.3	Confident	78.3	Confident	33 Å²	33	41.5 Å²	41.5	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-72.9	-41.6	176.7	0	0	0	0	0	111.8	G1050 S1051 R1057	G1050-A1053 WeakPolarHBondContact O-CB 3.4Å; G1050-A1053 PolarHBondContact O-N 3.42Å; S1051-A1053 PolarHBondContact O-N 3.34Å; S1051-A1053 VanDerWaalsContact O-N 3.16Å; A1053-R1057 WeakPolarHBondContact O-CB 3.17Å; A1053-R1057 PolarHBondContact O-N 2.87Å
1054	Y	86.6	Confident	77.8	Confident	5 Å²	5	46.6 Å²	46.6	2%	0.02	28%	0.281	C	S	.	.	H	α-helix	trans	-73.5	-37.1	176	-60.9	-76.1	0	0	0	112	Y1025 E1028 F1040 L1043 G1050 S1051 R1057 A1058	Y1025-Y1054 HydrophobicContact CD2-CD2 4.24Å; Y1025-Y1054 HydrophobicContact CD2-CE1 4.31Å; Y1025-Y1054 AromaticContact CD2-CE2 3.69Å; Y1025-Y1054 HydrophobicContact CD2-CE2 3.69Å; Y1025-Y1054 AromaticContact CD2-CZ 3.76Å; Y1025-Y1054 HydrophobicContact CE2-CE2 4.45Å; E1028-Y1054 HydrophobicContact CB-CE1 4.47Å; E1028-Y1054 WeakPolarHBondContact OE1-CE1 3.36Å; E1028-Y1054 PolarHBondContact OE1-OH 2.98Å; F1040-Y1054 AromaticContact CE2-CD2 3.86Å; F1040-Y1054 HydrophobicContact CE2-CD2 3.86Å; F1040-Y1054 AromaticContact CE2-CG 3.96Å; F1040-Y1054 HydrophobicContact CE2-CG 3.96Å; L1043-Y1054 HydrophobicContact CD1-CD2 4.17Å; L1043-Y1054 HydrophobicContact CD1-CE2 4.14Å; G1050-Y1054 WeakPolarHBondContact O-CD2 3.37Å; S1051-Y1054 PolarHBondContact O-N 2.99Å; S1051-Y1054 VanDerWaalsContact O-N 3.1Å; Y1054-R1057 PolarHBondContact O-N 2.66Å; Y1054-A1058 WeakPolarHBondContact O-CB 3.06Å; Y1054-A1058 PolarHBondContact O-N 3.42Å
1055	L	84.7	Confident	77.1	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-45.8	170.7	-66.2	169.9	0	0	0	110.8	E996 L997 V1000 I1018 A1021 F1040 S1051 R1057 A1058 V1059	E996-L1055 HydrophobicContact CB-CD1 4.07Å; L997-L1055 HydrophobicContact CB-CD2 4.38Å; L997-L1055 HydrophobicContact CD1-CB 4.44Å; L997-L1055 HydrophobicContact CD1-CD2 4.2Å; V1000-L1055 HydrophobicContact CG1-CB 4.48Å; I1018-L1055 HydrophobicContact CG1-CD2 4.42Å; A1021-L1055 HydrophobicContact CB-CD2 3.82Å; A1021-L1055 HydrophobicContact CB-CG 4.41Å; F1040-L1055 HydrophobicContact CZ-CG 4.4Å; S1051-L1055 WeakPolarHBondContact O-CG 3.18Å; S1051-L1055 PolarHBondContact O-N 3.3Å; L1055-R1057 VanDerWaalsContact C-N 3.34Å; L1055-R1057 PolarHBondContact O-N 2.68Å; L1055-A1058 PolarHBondContact O-N 3.35Å; L1055-V1059 WeakPolarHBondContact O-CG2 3.4Å; L1055-V1059 PolarHBondContact O-N 2.97Å
1056	A	84.4	Confident	76.5	Confident	29 Å²	29	46.4 Å²	46.4	24%	0.24	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-36.7	175.5	0	0	0	0	0	112.6	V1000 I1004 S1052 V1060	V1000-A1056 HydrophobicContact CG1-CB 3.81Å; I1004-A1056 HydrophobicContact CD1-CB 4.12Å; S1052-A1056 WeakPolarHBondContact O-CB 3.28Å; S1052-A1056 PolarHBondContact O-N 3.2Å; A1056-V1060 WeakPolarHBondContact O-CB 3.24Å; A1056-V1060 VanDerWaalsContact O-CG2 3.27Å; A1056-V1060 WeakPolarHBondContact O-CG2 3.42Å; A1056-V1060 PolarHBondContact O-N 2.69Å
1057	R	86.1	Confident	75.4	Confident	92 Å²	92	45.4 Å²	45.4	35%	0.347	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-42.9	174.1	178.7	174.8	169.3	178.4	-8.1	112.1	Y1024 E1028 A1053 Y1054 L1055 V1060 S1061	Y1024-R1057 HydrophobicContact CD2-CG 3.94Å; Y1024-R1057 HydrophobicContact CE2-CG 4.27Å; Y1024-R1057 HydrophobicContact CG-CG 4.37Å; E1028-R1057 IonicContact OE2-CZ 2.62Å; E1028-R1057 IonicContact OE2-NH1 3.34Å; E1028-R1057 PolarHBondContact OE2-NH1 3.14Å; A1053-R1057 WeakPolarHBondContact O-CB 3.17Å; A1053-R1057 PolarHBondContact O-N 2.87Å; Y1054-R1057 PolarHBondContact O-N 2.66Å; L1055-R1057 VanDerWaalsContact C-N 3.34Å; L1055-R1057 PolarHBondContact O-N 2.68Å; R1057-V1060 PolarHBondContact O-N 2.98Å; R1057-S1061 WeakPolarHBondContact O-CB 3.34Å; R1057-S1061 PolarHBondContact O-N 3.49Å; R1057-S1061 PolarHBondContact O-OG 3.14Å; R1057-S1061 VanDerWaalsContact O-OG 3.06Å
1058	A	83.7	Confident	74.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-47.5	175.5	0	0	0	0	0	111.7	L1017 E1020 A1021 Y1024 Y1054 L1055 S1061 A1062	L1017-A1058 WeakPolarHBondContact O-CB 3.29Å; E1020-A1058 HydrophobicContact CB-CB 3.99Å; A1021-A1058 HydrophobicContact CB-CB 3.8Å; Y1024-A1058 HydrophobicContact CD2-CB 4.48Å; Y1054-A1058 WeakPolarHBondContact O-CB 3.06Å; Y1054-A1058 PolarHBondContact O-N 3.42Å; L1055-A1058 PolarHBondContact O-N 3.35Å; A1058-S1061 PolarHBondContact O-N 3.06Å; A1058-A1062 WeakPolarHBondContact O-CB 3.42Å; A1058-A1062 PolarHBondContact O-N 3.06Å
1059	V	78.9	Confident	73.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-52.9	-65.9	169.8	174.9	0	0	0	0	109.2	L997 L1001 I1004 L1017 L1055 S1061 A1062 L1063	L997-V1059 HydrophobicContact CD1-CG2 4.02Å; L1001-V1059 HydrophobicContact CD1-CG1 3.97Å; L1001-V1059 HydrophobicContact CD1-CG2 4.29Å; I1004-V1059 HydrophobicContact CB-CG1 4.25Å; I1004-V1059 HydrophobicContact CD1-CB 3.95Å; I1004-V1059 HydrophobicContact CD1-CG1 3.64Å; I1004-V1059 HydrophobicContact CG2-CG1 4.03Å; L1017-V1059 HydrophobicContact CD1-CG2 4.07Å; L1017-V1059 HydrophobicContact CD2-CG2 4.21Å; L1055-V1059 WeakPolarHBondContact O-CG2 3.4Å; L1055-V1059 PolarHBondContact O-N 2.97Å; V1059-S1061 PolarHBondContact O-N 3.28Å; V1059-S1061 VanDerWaalsContact O-N 3.08Å; V1059-A1062 WeakPolarHBondContact O-CA 3.21Å; V1059-A1062 WeakPolarHBondContact O-CB 3.19Å; V1059-A1062 PolarHBondContact O-N 3.16Å; V1059-L1063 HydrophobicContact CG1-CD1 4.14Å; V1059-L1063 HydrophobicContact CG1-CD2 3.56Å; V1059-L1063 HydrophobicContact CG1-CG 4.07Å; V1059-L1063 WeakPolarHBondContact O-CG 3.42Å; V1059-L1063 WeakPolarHBondContact O-CD2 3.49Å; V1059-L1063 PolarHBondContact O-N 2.93Å
1060	V	80.5	Confident	71.9	Confident	66 Å²	66	55.6 Å²	55.6	40%	0.4	29%	0.292	S	S	.	.	H	α-helix	trans	-51.6	-39.6	-177	171.5	0	0	0	0	113.2	I1004 A1056 R1057 L1063 L1064	I1004-V1060 HydrophobicContact CD1-CG2 4.47Å; A1056-V1060 WeakPolarHBondContact O-CB 3.24Å; A1056-V1060 VanDerWaalsContact O-CG2 3.27Å; A1056-V1060 WeakPolarHBondContact O-CG2 3.42Å; A1056-V1060 PolarHBondContact O-N 2.69Å; R1057-V1060 PolarHBondContact O-N 2.98Å; V1060-L1063 PolarHBondContact O-N 3.28Å; V1060-L1064 HydrophobicContact CG1-CD1 3.98Å; V1060-L1064 VanDerWaalsContact O-CG 3.27Å; V1060-L1064 WeakPolarHBondContact O-CG 3.37Å; V1060-L1064 PolarHBondContact O-N 3.42Å; V1060-L1064 VanDerWaalsContact O-N 3.17Å
1061	S	80.7	Confident	69.7	Low	29 Å²	29	61.1 Å²	61.1	20%	0.203	32%	0.32	C	S	.	.	H	α-helix	trans	-69.9	-37.9	178.1	-71.7	0	0	0	0	113.5	Y1024 R1057 A1058 V1059 L1064 R1065	Y1024-S1061 WeakPolarHBondContact OH-CB 3.31Å; R1057-S1061 WeakPolarHBondContact O-CB 3.34Å; R1057-S1061 PolarHBondContact O-N 3.49Å; R1057-S1061 PolarHBondContact O-OG 3.14Å; R1057-S1061 VanDerWaalsContact O-OG 3.06Å; A1058-S1061 PolarHBondContact O-N 3.06Å; V1059-S1061 PolarHBondContact O-N 3.28Å; V1059-S1061 VanDerWaalsContact O-N 3.08Å; S1061-L1064 PolarHBondContact O-N 2.68Å; S1061-R1065 WeakPolarHBondContact O-CG 3.4Å; S1061-R1065 PolarHBondContact O-N 3.1Å
1062	A	73.2	Confident	67.5	Low	1 Å²	1	72.9 Å²	72.9	1%	0.008	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-46.3	169.2	0	0	0	0	0	111.5	S1015 L1017 A1058 V1059 L1064 R1065 D1066	S1015-A1062 WeakPolarHBondContact OG-CB 3.38Å; L1017-A1062 HydrophobicContact CD2-CB 3.97Å; A1058-A1062 WeakPolarHBondContact O-CB 3.42Å; A1058-A1062 PolarHBondContact O-N 3.06Å; V1059-A1062 WeakPolarHBondContact O-CA 3.21Å; V1059-A1062 WeakPolarHBondContact O-CB 3.19Å; V1059-A1062 PolarHBondContact O-N 3.16Å; A1062-L1064 PolarHBondContact O-N 2.87Å; A1062-L1064 VanDerWaalsContact O-N 3.09Å; A1062-R1065 PolarHBondContact O-N 2.92Å; A1062-D1066 PolarHBondContact O-N 3.38Å
1063	L	69.4	Low	65.3	Low	13 Å²	13	75.4 Å²	75.4	7%	0.068	38%	0.382	C	S	.	.	H	α-helix	trans	-57.8	-31.3	-179.4	-38.2	-165.1	0	0	0	112.4	I1004 L1011 F1013 V1059 V1060 N1067	I1004-L1063 HydrophobicContact CG2-CD1 3.63Å; L1011-L1063 HydrophobicContact CD1-CD1 4.14Å; F1013-L1063 HydrophobicContact CD1-CB 3.99Å; F1013-L1063 HydrophobicContact CD1-CD2 3.47Å; F1013-L1063 VanDerWaalsContact CD1-CD2 3.47Å; F1013-L1063 HydrophobicContact CD1-CG 4.2Å; F1013-L1063 HydrophobicContact CD2-CD2 3.5Å; F1013-L1063 VanDerWaalsContact CD2-CD2 3.5Å; F1013-L1063 VanDerWaalsContact CE1-CA 3.5Å; F1013-L1063 HydrophobicContact CE1-CB 3.39Å; F1013-L1063 HydrophobicContact CE1-CD1 4.07Å; F1013-L1063 HydrophobicContact CE1-CD2 3.29Å; F1013-L1063 HydrophobicContact CE1-CG 3.65Å; F1013-L1063 HydrophobicContact CE2-CD1 4.25Å; F1013-L1063 HydrophobicContact CE2-CD2 3.31Å; F1013-L1063 HydrophobicContact CE2-CG 4.24Å; F1013-L1063 HydrophobicContact CG-CD2 3.56Å; F1013-L1063 HydrophobicContact CZ-CB 3.87Å; F1013-L1063 HydrophobicContact CZ-CD1 3.62Å; F1013-L1063 HydrophobicContact CZ-CD2 3.17Å; F1013-L1063 HydrophobicContact CZ-CG 3.64Å; V1059-L1063 HydrophobicContact CG1-CD1 4.14Å; V1059-L1063 HydrophobicContact CG1-CD2 3.56Å; V1059-L1063 HydrophobicContact CG1-CG 4.07Å; V1059-L1063 WeakPolarHBondContact O-CG 3.42Å; V1059-L1063 WeakPolarHBondContact O-CD2 3.49Å; V1059-L1063 PolarHBondContact O-N 2.93Å; V1060-L1063 PolarHBondContact O-N 3.28Å; L1063-N1067 WeakPolarHBondContact O-CB 3.44Å
1064	L	71.8	Confident	62.9	Low	130 Å²	130	82 Å²	82	68%	0.681	41%	0.405	S	S	*	.	H	α-helix	trans	-83.7	-16.2	179.4	-68.8	168.6	0	0	0	113.9	V1060 S1061 A1062	V1060-L1064 HydrophobicContact CG1-CD1 3.98Å; V1060-L1064 VanDerWaalsContact O-CG 3.27Å; V1060-L1064 WeakPolarHBondContact O-CG 3.37Å; V1060-L1064 PolarHBondContact O-N 3.42Å; V1060-L1064 VanDerWaalsContact O-N 3.17Å; S1061-L1064 PolarHBondContact O-N 2.68Å; A1062-L1064 PolarHBondContact O-N 2.87Å; A1062-L1064 VanDerWaalsContact O-N 3.09Å
1065	R	68.6	Low	60.3	Low	110 Å²	110	90.7 Å²	90.7	42%	0.415	45%	0.445	S	S	.	.	H	α-helix	trans	-86.7	-47.9	176.9	-70.4	179.3	-148.2	156.6	11.2	112.3	E1020 Y1024 S1061 A1062 N1067	E1020-R1065 VanDerWaalsContact CD-NH1 3.33Å; E1020-R1065 VanDerWaalsContact CD-NH2 3.34Å; E1020-R1065 IonicContact OE1-CZ 3.85Å; E1020-R1065 IonicContact OE1-NH1 3.52Å; E1020-R1065 PolarHBondContact OE1-NH1 3.05Å; E1020-R1065 IonicContact OE1-NH2 3.34Å; E1020-R1065 IonicContact OE2-CZ 3.56Å; E1020-R1065 VanDerWaalsContact OE2-CZ 3.31Å; E1020-R1065 IonicContact OE2-NH1 3.7Å; E1020-R1065 PolarHBondContact OE2-NH1 2.84Å; E1020-R1065 IonicContact OE2-NH2 2.79Å; E1020-R1065 PolarHBondContact OE2-NH2 3.29Å; Y1024-R1065 PolarHBondContact OH-NH2 3.12Å; S1061-R1065 WeakPolarHBondContact O-CG 3.4Å; S1061-R1065 PolarHBondContact O-N 3.1Å; A1062-R1065 PolarHBondContact O-N 2.92Å; R1065-N1067 VanDerWaalsContact C-N 3.26Å; R1065-N1067 PolarHBondContact O-N 2.81Å
1066	D	60	Low	57.8	Low	57 Å²	57	95.5 Å²	95.5	31%	0.305	48%	0.476	S	S	.	.	H	α-helix	trans	-70.7	-26.9	-171.9	-64.9	-11.1	0	0	0	111.6	F1013 S1014 A1062 K1068	F1013-D1066 VanDerWaalsContact CA-OD2 3.31Å; F1013-D1066 WeakPolarHBondContact CA-OD2 3.46Å; S1014-D1066 PolarHBondContact N-OD2 3.09Å; A1062-D1066 PolarHBondContact O-N 3.38Å; D1066-K1068 PolarHBondContact O-N 3.01Å
1067	N	51.2	Low	55.5	Low	102 Å²	102	96.2 Å²	96.2	55%	0.545	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	19.6	-176.4	-132.8	13.2	0	0	0	115	L1011 L1063 R1065	L1011-N1067 WeakPolarHBondContact CD2-ND2 3.43Å; L1063-N1067 WeakPolarHBondContact O-CB 3.44Å; R1065-N1067 VanDerWaalsContact C-N 3.26Å; R1065-N1067 PolarHBondContact O-N 2.81Å
1068	K	41.7	Very low	53.3	Low	163 Å²	163	96.8 Å²	96.8	71%	0.709	50%	0.495	S	S	*	.	S	Bend	trans	-66.4	135.4	168.1	-76.7	177.9	179.8	173.4	0	108.8	D1066 Q1070	D1066-K1068 PolarHBondContact O-N 3.01Å; K1068-Q1070 PolarHBondContact O-N 3.3Å
1069	P	36.3	Very low	51	Low	131 Å²	131	106.9 Å²	106.9	85%	0.851	54%	0.535	S	S	*	.			trans	-66	101.3	-173.8	26.4	-34.5	0	0	0	110.7
1070	Q	37.8	Very low	48.9	Very low	170 Å²	170	112.2 Å²	112.2	79%	0.794	56%	0.564	S	S	*	*			trans	-63.5	140.1	166.6	-65.4	-170.3	3.5	0	0	109.2	K1068 R1072	K1068-Q1070 PolarHBondContact O-N 3.3Å; Q1070-R1072 PolarHBondContact O-N 3.46Å
1071	D	35.3	Very low	47.3	Very low	123 Å²	123	111.1 Å²	111.1	66%	0.658	56%	0.559	S	S	*	*			trans	-63.8	124.5	-177.9	179.9	22.9	0	0	0	110.6	S1073	D1071-S1073 VanDerWaalsContact OD2-CB 3.3Å; D1071-S1073 WeakPolarHBondContact OD2-CB 3.41Å; D1071-S1073 PolarHBondContact OD2-OG 3.03Å; D1071-S1073 PolarHBondContact O-N 2.89Å
1072	R	37.4	Very low	45.6	Very low	246 Å²	246	116.6 Å²	116.6	93%	0.928	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	7.9	-174.7	-66	-177.5	174.8	-178.6	-2.2	113.5	Q1070 K1074	Q1070-R1072 PolarHBondContact O-N 3.46Å; R1072-K1074 VanDerWaalsContact C-N 3.33Å
1073	S	37.2	Very low	44.3	Very low	83 Å²	83	118.3 Å²	118.3	58%	0.58	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-14.1	177	66.9	0	0	0	0	114.3	D1071	D1071-S1073 VanDerWaalsContact OD2-CB 3.3Å; D1071-S1073 WeakPolarHBondContact OD2-CB 3.41Å; D1071-S1073 PolarHBondContact OD2-OG 3.03Å; D1071-S1073 PolarHBondContact O-N 2.89Å
1074	K	34.9	Very low	43.6	Very low	171 Å²	171	118 Å²	118	74%	0.743	59%	0.591	S	S	*	*	S	Bend	trans	-115.3	124.6	179.8	-65.3	-177	179.9	-179.7	0	111.6	R1072 P1076	R1072-K1074 VanDerWaalsContact C-N 3.33Å; K1074-P1076 WeakPolarHBondContact O-CD 3.3Å
1075	H	32.7	Very low	42.6	Very low	188 Å²	188	114.6 Å²	114.6	87%	0.87	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-66.5	125.5	158.6	-77.7	-79	0	0	0	108.5
1076	P	32.9	Very low	41.8	Very low	101 Å²	101	109.9 Å²	109.9	66%	0.656	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-63.8	139.1	171.4	-18.4	31.5	0	0	0	110.2	K1074	K1074-P1076 WeakPolarHBondContact O-CD 3.3Å
1077	S	35.2	Very low	40.9	Very low	45 Å²	45	112.5 Å²	112.5	32%	0.315	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-65	141.9	160.1	-174.8	0	0	0	0	108	Y1079 D1080	S1077-Y1079 PolarHBondContact O-N 3.05Å; S1077-Y1079 PolarHBondContact OG-N 3.17Å; S1077-D1080 PolarHBondContact O-N 3.11Å; S1077-D1080 PolarHBondContact N-OD2 2.91Å; S1077-D1080 WeakPolarHBondContact CB-OD2 3.38Å
1078	P	39.4	Very low	40.3	Very low	103 Å²	103	113.1 Å²	113.1	67%	0.669	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-57.1	-24	170.7	23.8	-33	0	0	0	112	S1081	P1078-S1081 WeakPolarHBondContact O-CB 3.37Å; P1078-S1081 PolarHBondContact O-OG 3.42Å
1079	Y	36.4	Very low	40.3	Very low	212 Å²	212	110.3 Å²	110.3	83%	0.831	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-81.4	-9.9	176.5	-59.7	-79.7	0	0	0	115.1	S1077 S1081	S1077-Y1079 PolarHBondContact O-N 3.05Å; S1077-Y1079 PolarHBondContact OG-N 3.17Å; Y1079-S1081 PolarHBondContact O-N 3.38Å
1080	D	34.5	Very low	40.5	Very low	113 Å²	113	109.1 Å²	109.1	60%	0.604	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-80.6	-1.6	174.3	-63.2	-38.6	0	0	0	112.3	S1077 Q1082	S1077-D1080 PolarHBondContact O-N 3.11Å; S1077-D1080 PolarHBondContact N-OD2 2.91Å; S1077-D1080 WeakPolarHBondContact CB-OD2 3.38Å; D1080-Q1082 PolarHBondContact O-N 2.78Å; D1080-Q1082 VanDerWaalsContact O-N 3.07Å
1081	S	45.7	Very low	40.7	Very low	43 Å²	43	105.3 Å²	105.3	30%	0.301	53%	0.533	S	S	.	.			trans	-71.2	95.7	-179.1	-50.4	0	0	0	0	111.1	G949 P1078 Y1079	G949-S1081 VanDerWaalsContact CA-O 3.23Å; G949-S1081 WeakPolarHBondContact CA-O 3.24Å; P1078-S1081 WeakPolarHBondContact O-CB 3.37Å; P1078-S1081 PolarHBondContact O-OG 3.42Å; Y1079-S1081 PolarHBondContact O-N 3.38Å
1082	Q	46.9	Very low	41	Very low	144 Å²	144	104.1 Å²	104.1	67%	0.673	52%	0.524	S	S	*	.			trans	-62.2	139.3	176	-66	-168.9	2.3	0	0	111.8	D1080	D1080-Q1082 PolarHBondContact O-N 2.78Å; D1080-Q1082 VanDerWaalsContact O-N 3.07Å
1083	C	45.3	Very low	41.3	Very low	36 Å²	36	93.9 Å²	93.9	24%	0.243	50%	0.495	C	S	.	.			trans	-67.4	151.1	177.1	-46.4	0	0	0	0	111	G949 L952 V1085	G949-C1083 WeakPolarHBondContact O-CA 3.36Å; G949-C1083 WeakPolarHBondContact O-CB 3.4Å; G949-C1083 PolarHBondContact O-SG 2.57Å; L952-C1083 HydrophobicContact CB-CB 4.08Å; C1083-V1085 PolarHBondContact O-N 2.75Å
1084	V	54.4	Low	41.6	Very low	6 Å²	6	94.8 Å²	94.8	4%	0.036	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	95.6	164	-173.3	0	0	0	0	108.3	T947 G950 L951 L952 L1017 M1086	T947-V1084 HydrophobicContact CG2-CG2 3.46Å; T947-V1084 VanDerWaalsContact CG2-CG2 3.46Å; G950-V1084 PolarHBondContact O-N 2.85Å; L951-V1084 HydrophobicContact CD2-CB 4.25Å; L952-V1084 PolarHBondContact N-O 2.85Å; L1017-V1084 HydrophobicContact CD1-CG1 4.46Å; V1084-M1086 HydrophobicContact CB-CE 4.3Å; V1084-M1086 HydrophobicContact CG1-CE 3.53Å; V1084-M1086 HydrophobicContact CG1-CG 4.02Å
1085	V	50.9	Low	42.2	Very low	59 Å²	59	88.4 Å²	88.4	36%	0.358	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	129.9	166.9	-171.8	0	0	0	0	108.6	L952 S1015 N1016 C1083	L952-V1085 HydrophobicContact CD2-CB 4.45Å; L952-V1085 HydrophobicContact CD2-CG1 4.25Å; L952-V1085 HydrophobicContact CD2-CG2 4.05Å; S1015-V1085 CarbonylContact C-O 3.53Å; N1016-V1085 WeakPolarHBondContact CA-O 3.37Å; N1016-V1085 HydrophobicContact CB-CG1 4.12Å; C1083-V1085 PolarHBondContact O-N 2.75Å
1086	M	51.9	Low	43	Very low	11 Å²	11	79.4 Å²	79.4	5%	0.054	43%	0.431	C	S	.	.			trans	-123.6	0	178.4	-64.9	-167.9	171.1	0	0	113	L951 L952 M994 L997 F998 L1001 N1016 V1084	L951-M1086 HydrophobicContact CD2-CE 3.79Å; L952-M1086 PolarHBondContact O-N 3.35Å; L952-M1086 VanDerWaalsContact O-N 3.13Å; M994-M1086 HydrophobicContact CE-CB 3.54Å; M994-M1086 HydrophobicContact CE-CG 4.23Å; M994-M1086 HydrophobicContact CE-SD 3.72Å; M994-M1086 HydrophobicContact SD-CB 3.87Å; M994-M1086 HydrophobicContact SD-SD 4.47Å; L997-M1086 HydrophobicContact CD2-CG 4.46Å; L997-M1086 HydrophobicContact CD2-SD 4.17Å; F998-M1086 HydrophobicContact CD1-CE 4.35Å; F998-M1086 HydrophobicContact CE1-CE 3.72Å; F998-M1086 HydrophobicContact CE1-SD 3.78Å; F998-M1086 HydrophobicContact CE2-SD 4.21Å; F998-M1086 HydrophobicContact CZ-CE 4.15Å; F998-M1086 HydrophobicContact CZ-SD 3.58Å; F998-M1086 VanDerWaalsContact CZ-SD 3.58Å; L1001-M1086 HydrophobicContact CD2-CE 3.5Å; L1001-M1086 VanDerWaalsContact CD2-CE 3.5Å; N1016-M1086 PolarHBondContact ND2-O 3.35Å; N1016-M1086 PolarHBondContact ND2-OXT 3.11Å; V1084-M1086 HydrophobicContact CB-CE 4.3Å; V1084-M1086 HydrophobicContact CG1-CE 3.53Å; V1084-M1086 HydrophobicContact CG1-CG 4.02Å

Retrieved 1,086 of 1,086 residues in 3062.9 ms (Link to these results)

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