A0A077Z9R9_TRITR Loading...

Kunitz BPTI domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9R9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 909 aa.

						>A0A077Z9R9_TRITR|A0A077Z9R9
MKPHSQASGVAWRMKITVILFLLFGATFASRRKSPCNLTVDGGPCKAQFTKYYYNKESKKCEPFVYGGCQGNRNRFDTLEECTAKCAEQKKQEDSCKLPAETGPCKASFTRYYYVWDQKKCAPFTYGGCKGNANNYESIAECEEKCGVRNKDKNPCELPAETGPCMASFIRFYYNKETKKCETFTYGGCQGNENNFETLEECEAKCSDQKKQQNPCKMGPDPGPCRAVFLRYYYSWDWKKCLKFTYGGCEGNANNFESLAQCEATCVDKKKKDNPCELPAEPGPCKASFLRYYYNKESKKCETFTYGGCEGNENSFETLKECEARCVKNKKRKRQETPCELPADTGPCKMNMIRYYYDKGSKKCKTFTYGGCHGNENNFESMEKCEATCEEGEEKEEEEQGPCRAAFTKYYYNKDTKQCETFIYGGCRGNANNFETKAESPVEEPPIDVGPPTSHRKWFFDTVKKVCRTFVYGGCKGNGNRFDTKEECQQRCIATLPAIAFTLQEENPCKLPADPGPCMASFIKHYYDWDSKQCLEFTYGGCEGNANNFETIEECQKSCPGEEQEEKEEEEEEKEEEQGGNPCELPAKKGPCRAAFTKYYYNKDTKQCETFIYGGCKGNANNFETIEECQKSCPEKEEEQGGNPCELPAKKGPCRAAFTKYYYNKDTKQCETFIYGGCKGNANNFETIEECQESCPGEEEEEEEQGGNPCELPAKKGPCRAAFTKYYYNKDTKQCETFIYGGCKGNANNFETKAECESRCSVEKDGDVCSMPKDSGPCKASHRKWFFDAVKKVCRTFVYGGCKGNGNRFDTKEECQERCVATLPASVICRLPYAMGSCSSNLRRFFFDFETKQCRSFTYTGCEGNANNFISAYACYEKCGKRIYGNVEWCAVLIRWERQKASYFQSLKF
					

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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	45.9	Very low	37.6	Very low	232 Å²	232	126.9 Å²	126.9	100%	1.143	75%	0.751	S	S	*	*				0	103.2	0	-66.8	-179.3	158.8	0	0	106.2
2	K	44	Very low	37.1	Very low	185 Å²	185	132.8 Å²	132.8	80%	0.804	75%	0.751	S	S	*	*				87	148.7	-116.4	-65.2	178.1	-178.6	-174.5	0	108.9
3	P	46.2	Very low	36.8	Very low	106 Å²	106	141.1 Å²	141.1	69%	0.688	76%	0.763	S	S	*	*			cis	-147.8	165.1	33.2	49.6	-29.4	0	0	0	113.5
4	H	34.1	Very low	36.3	Very low	143 Å²	143	142.2 Å²	142.2	66%	0.662	76%	0.763	S	S	*	*				74.8	122.7	99.9	-79.4	-109.2	0	0	0	114.9
5	S	34.8	Very low	36	Very low	80 Å²	80	143 Å²	143	56%	0.559	76%	0.757	S	S	*	*				79.7	154.2	71.8	100.3	0	0	0	0	112.7
6	Q	35.2	Very low	36	Very low	181 Å²	181	142.2 Å²	142.2	85%	0.846	75%	0.752	S	S	*	*			trans	85.8	143.4	165.7	-43.2	-154.4	-18.2	0	0	114.8
7	A	35.2	Very low	35.7	Very low	72 Å²	72	141.8 Å²	141.8	60%	0.595	76%	0.756	S	S	*	*			cis	-178	161.5	-20.6	0	0	0	0	0	103.5
8	S	37.3	Very low	35.6	Very low	118 Å²	118	139.7 Å²	139.7	83%	0.825	75%	0.749	S	S	*	*			trans	62.5	134.7	131.9	58.9	0	0	0	0	119.9
9	G	35.7	Very low	35.3	Very low	64 Å²	64	139.6 Å²	139.6	66%	0.66	75%	0.747	S	S	*	*			trans	119.9	61.9	144.9	0	0	0	0	0	111.4
10	V	33.7	Very low	35.2	Very low	136 Å²	136	138.8 Å²	138.8	82%	0.824	74%	0.742	S	S	*	*				58.1	107.3	82.7	-177.6	0	0	0	0	111
11	A	32.2	Very low	35.1	Very low	79 Å²	79	140 Å²	140	65%	0.653	74%	0.741	S	S	*	*			trans	61.3	108.1	144.3	0	0	0	0	0	117.3
12	W	30.7	Very low	34.4	Very low	198 Å²	198	134.9 Å²	134.9	75%	0.75	72%	0.717	S	S	*	*				-148.2	84.4	108.4	-116.4	47.7	0	0	0	109.7	M14 K15	W12-M14 VanDerWaalsContact CE3-O 3.31Å; W12-K15 HydrophobicContact CH2-CD 4.12Å; W12-K15 HydrophobicContact CZ3-CD 3.82Å
13	R	33	Very low	33.9	Very low	240 Å²	240	134.3 Å²	134.3	91%	0.906	72%	0.722	S	S	*	*			trans	-67.4	122.9	141.6	-84.5	-176.9	169.8	-172.1	-3.7	105.8
14	M	30.5	Very low	33.4	Very low	157 Å²	157	140.1 Å²	140.1	77%	0.773	74%	0.737	S	S	*	*			trans	129.8	102.2	167.9	-78.9	-169.1	-163.2	0	0	108.8	W12	W12-M14 VanDerWaalsContact CE3-O 3.31Å
15	K	32.1	Very low	33.4	Very low	154 Å²	154	134.9 Å²	134.9	67%	0.67	72%	0.722	S	S	*	*				160.7	121.9	122.3	-86.5	175.4	-166.5	-171.6	0	109.1	W12	W12-K15 HydrophobicContact CH2-CD 4.12Å; W12-K15 HydrophobicContact CZ3-CD 3.82Å
16	I	34.9	Very low	33.5	Very low	130 Å²	130	135.3 Å²	135.3	67%	0.667	73%	0.731	S	S	*	*			trans	87.2	107.5	153.7	-52.5	149.7	0	0	0	113.4	V18	I16-V18 HydrophobicContact CG2-CB 4.34Å
17	T	31	Very low	33.7	Very low	135 Å²	135	132.3 Å²	132.3	83%	0.828	73%	0.725	S	S	*	*			cis	37.8	95.2	22.6	20.2	0	0	0	0	113.3
18	V	33.9	Very low	33.9	Very low	105 Å²	105	139 Å²	139	64%	0.636	74%	0.741	S	S	*	*			trans	121	66	170.3	-174	0	0	0	0	112.9	I16	I16-V18 HydrophobicContact CG2-CB 4.34Å
19	I	30.9	Very low	33.9	Very low	137 Å²	137	137.9 Å²	137.9	70%	0.703	74%	0.739	S	S	*	*				-147.5	100.5	122.8	-54.1	-177	0	0	0	104.9	L22	I19-L22 HydrophobicContact CG2-CB 4.47Å
20	L	33.1	Very low	34	Very low	123 Å²	123	139.8 Å²	139.8	64%	0.644	74%	0.742	S	S	*	*			cis	44.1	101.1	9	-80.7	169.6	0	0	0	114.9
21	F	32.6	Very low	34.3	Very low	165 Å²	165	144.7 Å²	144.7	72%	0.724	75%	0.746	S	S	*	*			trans	76.5	57.3	153	-73.5	-84.8	0	0	0	119.2
22	L	30.7	Very low	35.2	Very low	124 Å²	124	150.4 Å²	150.4	65%	0.649	75%	0.75	S	S	*	*			trans	-146.1	120.1	164.2	-68.6	173.2	0	0	0	111.5	I19	I19-L22 HydrophobicContact CG2-CB 4.47Å
23	L	33.9	Very low	36.5	Very low	173 Å²	173	149 Å²	149	91%	0.906	75%	0.75	S	S	*	*	S	Bend	trans	92.2	42.7	-178.7	-48.9	178.3	0	0	0	117.4
24	F	36.2	Very low	38.7	Very low	228 Å²	228	139.2 Å²	139.2	100%	1	72%	0.718	S	S	*	*	S	Bend		-125.5	85.5	66	-87.8	-99.7	0	0	0	108.7
25	G	34.4	Very low	41.4	Very low	34 Å²	34	133.7 Å²	133.7	35%	0.351	69%	0.694	S	S	.	*			trans	-136.1	46.3	-173.7	0	0	0	0	0	111.8
26	A	36.8	Very low	44.2	Very low	89 Å²	89	126.5 Å²	126.5	74%	0.736	66%	0.663	S	S	*	*			trans	-171.4	107.9	165.1	0	0	0	0	0	104.1
27	T	39.3	Very low	46.7	Very low	118 Å²	118	123.7 Å²	123.7	72%	0.724	65%	0.649	S	S	*	*	S	Bend	cis	-162.9	114.5	40.7	47.7	0	0	0	0	105.3
28	F	39	Very low	49.5	Very low	211 Å²	211	119.8 Å²	119.8	93%	0.925	62%	0.623	S	S	*	*				-144.7	82.5	96.3	-77.4	-87.9	0	0	0	108.1	S30	F28-S30 PolarHBondContact O-N 2.85Å
29	A	36.4	Very low	52.2	Low	95 Å²	95	120.1 Å²	120.1	79%	0.785	63%	0.625	S	S	*	*			trans	-64.4	94.7	158.9	0	0	0	0	0	106.7	R31	A29-R31 PolarHBondContact O-N 3.32Å
30	S	39	Very low	55.1	Low	104 Å²	104	116.3 Å²	116.3	73%	0.727	61%	0.608	S	S	*	*			trans	-51.3	112.5	155.7	177.4	0	0	0	0	104.5	F28 R32	F28-S30 PolarHBondContact O-N 2.85Å; S30-R32 PolarHBondContact O-N 3.22Å
31	R	40.4	Very low	58	Low	240 Å²	240	113.4 Å²	113.4	91%	0.906	59%	0.594	S	S	*	*			trans	-59.5	85.2	175	-78.9	-178.2	178.2	-174.4	-0.2	106.8	A29 K33	A29-R31 PolarHBondContact O-N 3.32Å; R31-K33 PolarHBondContact O-N 2.63Å
32	R	50.6	Low	60.7	Low	199 Å²	199	106.6 Å²	106.6	75%	0.751	57%	0.57	S	S	*	*			trans	-59.2	112.1	168.7	-84.4	-176.1	174.1	-175.8	2.1	104.4	S30 S34	S30-R32 PolarHBondContact O-N 3.22Å; R32-S34 PolarHBondContact O-N 2.93Å; R32-S34 VanDerWaalsContact O-N 3.12Å
33	K	58.2	Low	63.4	Low	168 Å²	168	101.8 Å²	101.8	73%	0.73	55%	0.55	S	S	*	*			trans	-49.2	124.1	174.3	-72	179.1	179.5	176.3	0	107.2	R31	R31-K33 PolarHBondContact O-N 2.63Å
34	S	79.7	Confident	65.7	Low	35 Å²	35	97.5 Å²	97.5	25%	0.245	53%	0.532	C	S	.	.			trans	-48.1	136.4	177.5	167.8	0	0	0	0	109.6	R32 C36 N37 Q89	R32-S34 PolarHBondContact O-N 2.93Å; R32-S34 VanDerWaalsContact O-N 3.12Å; S34-C36 PolarHBondContact O-N 3.39Å; S34-C36 VanDerWaalsContact O-N 3.17Å; S34-C36 WeakPolarHBondContact OG-CB 3.11Å; S34-C36 PolarHBondContact OG-N 3.13Å; S34-C36 PolarHBondContact OG-SG 3.21Å; S34-C36 VanDerWaalsContact OG-SG 3.39Å; S34-N37 WeakPolarHBondContact O-CA 3.33Å; S34-N37 VanDerWaalsContact O-CB 3.3Å; S34-N37 WeakPolarHBondContact O-CB 3.47Å; S34-N37 PolarHBondContact O-N 3.42Å; S34-Q89 PolarHBondContact OG-NE2 3.25Å
35	P	86.9	Confident	68.1	Low	41 Å²	41	89.3 Å²	89.3	27%	0.266	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-52.1	-36.5	175.1	-27.2	35	0	0	0	112.6	N37 L38 R73 N74 F76	P35-N37 PolarHBondContact O-N 2.95Å; P35-L38 WeakPolarHBondContact O-CB 3.49Å; P35-L38 PolarHBondContact O-N 3.07Å; P35-R73 HydrophobicContact CB-CB 3.88Å; P35-R73 WeakPolarHBondContact CB-O 3.36Å; P35-R73 HydrophobicContact CG-CB 4.14Å; P35-N74 VanDerWaalsContact O-CB 3.31Å; P35-N74 WeakPolarHBondContact O-CB 3.13Å; P35-F76 HydrophobicContact CB-CZ 4.18Å
36	C	90.3	Very high	70.5	Confident	2 Å²	2	97.5 Å²	97.5	1%	0.014	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-61.2	-12.2	175.2	-40.4	0	0	0	0	113.7	S34 Y54 K56 K85 C86	S34-C36 PolarHBondContact O-N 3.39Å; S34-C36 VanDerWaalsContact O-N 3.17Å; S34-C36 WeakPolarHBondContact OG-CB 3.11Å; S34-C36 PolarHBondContact OG-N 3.13Å; S34-C36 PolarHBondContact OG-SG 3.21Å; S34-C36 VanDerWaalsContact OG-SG 3.39Å; C36-Y54 HydrophobicContact CB-CD1 3.99Å; C36-Y54 HydrophobicContact CB-CG 4.37Å; C36-K56 VanDerWaalsContact O-CE 3.26Å; C36-K56 WeakPolarHBondContact O-CE 3.4Å; C36-K85 PolarHBondContact SG-O 2.71Å; C36-K85 VanDerWaalsContact SG-O 3.37Å; C36-C86 HydrophobicContact CB-CB 3.7Å; C36-C86 WeakPolarHBondContact CB-SG 3.18Å; C36-C86 WeakPolarHBondContact SG-CA 3.49Å; C36-C86 WeakPolarHBondContact SG-CB 2.83Å; C36-C86 CovalentContact SG-SG 2.03Å; C36-C86 PolarHBondContact SG-SG 2.56Å
37	N	87	Confident	72.2	Confident	71 Å²	71	95.2 Å²	95.2	38%	0.38	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-90.1	-8.4	175.8	-84.9	-41.9	0	0	0	115	S34 P35 K56	S34-N37 WeakPolarHBondContact O-CA 3.33Å; S34-N37 VanDerWaalsContact O-CB 3.3Å; S34-N37 WeakPolarHBondContact O-CB 3.47Å; S34-N37 PolarHBondContact O-N 3.42Å; P35-N37 PolarHBondContact O-N 2.95Å; N37-K56 VanDerWaalsContact CA-NZ 3.29Å; N37-K56 WeakPolarHBondContact O-CE 3.05Å; N37-K56 PolarHBondContact O-NZ 3.13Å; N37-K56 VanDerWaalsContact OD1-CE 3.22Å; N37-K56 WeakPolarHBondContact OD1-CE 3.02Å; N37-K56 PolarHBondContact OD1-NZ 2.87Å
38	L	89.8	Confident	74.5	Confident	54 Å²	54	97.6 Å²	97.6	28%	0.283	51%	0.513	S	S	.	.	S	Bend	trans	-89.5	157.2	179	-49.8	167.9	0	0	0	110.2	P35 N72 R73 N74	P35-L38 WeakPolarHBondContact O-CB 3.49Å; P35-L38 PolarHBondContact O-N 3.07Å; L38-N72 HydrophobicContact CD1-CB 4.1Å; L38-R73 HydrophobicContact CD1-CB 3.91Å; L38-N74 HydrophobicContact CB-CB 4.02Å; L38-N74 PolarHBondContact O-ND2 2.79Å
39	T	90.2	Very high	76.8	Confident	111 Å²	111	92.4 Å²	92.4	68%	0.681	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-77.1	164.1	172.6	50.6	0	0	0	0	110.5	N72	T39-N72 PolarHBondContact O-ND2 2.84Å; T39-N72 PolarHBondContact O-OD1 2.84Å
40	V	93	Very high	79.5	Confident	58 Å²	58	92.4 Å²	92.4	35%	0.352	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-61.4	142.5	168.9	64.3	0	0	0	0	110.2	Y53 F64	V40-Y53 HydrophobicContact CB-CD1 4.04Å; V40-Y53 HydrophobicContact CB-CD2 3.53Å; V40-Y53 HydrophobicContact CB-CE1 4.13Å; V40-Y53 HydrophobicContact CB-CE2 3.63Å; V40-Y53 HydrophobicContact CB-CG 3.72Å; V40-Y53 HydrophobicContact CG1-CE2 4.13Å; V40-Y53 HydrophobicContact CG2-CD1 3.67Å; V40-Y53 HydrophobicContact CG2-CD2 4.07Å; V40-Y53 HydrophobicContact CG2-CE1 3.97Å; V40-Y53 HydrophobicContact CG2-CE2 4.34Å; V40-Y53 HydrophobicContact CG2-CG 3.71Å; V40-F64 HydrophobicContact CG2-CB 3.65Å; V40-F64 HydrophobicContact CG2-CD1 3.9Å; V40-F64 HydrophobicContact CG2-CD2 3.29Å; V40-F64 HydrophobicContact CG2-CE1 4.34Å; V40-F64 HydrophobicContact CG2-CE2 3.8Å; V40-F64 HydrophobicContact CG2-CG 3.33Å; V40-F64 HydrophobicContact CG2-CZ 4.28Å
41	D	93.1	Very high	82.2	Confident	62 Å²	62	89.5 Å²	89.5	33%	0.332	46%	0.455	S	S	.	.			trans	-147.3	106.4	177.7	-175.3	-0.9	0	0	0	110.6	G43 F64 G71 N72	D41-G43 PolarHBondContact O-N 2.89Å; D41-G43 PolarHBondContact OD1-N 3.23Å; D41-F64 WeakPolarHBondContact O-CE2 3.48Å; D41-G71 VanDerWaalsContact CG-CA 3.43Å; D41-G71 WeakPolarHBondContact O-CA 3.43Å; D41-G71 VanDerWaalsContact OD2-CA 3.31Å; D41-G71 WeakPolarHBondContact OD2-CA 2.98Å; D41-N72 HydrophobicContact CB-CB 4.34Å; D41-N72 VanDerWaalsContact CB-ND2 3.26Å; D41-N72 WeakPolarHBondContact CB-ND2 3.48Å
42	G	89.9	Confident	84.9	Confident	22 Å²	22	81.1 Å²	81.1	23%	0.227	42%	0.424	C	S	.	.			trans	-69.8	-17.1	176.7	0	0	0	0	0	113.7	Y66 G67	G42-Y66 WeakPolarHBondContact O-CD2 3.28Å; G42-G67 WeakPolarHBondContact O-CA 3.39Å; G42-G67 PolarHBondContact O-N 2.75Å
43	G	87.3	Confident	87	Confident	23 Å²	23	73.2 Å²	73.2	24%	0.237	39%	0.394	C	S	.	.			trans	65.3	175	-169.8	0	0	0	0	0	113.7	D41 C69	D41-G43 PolarHBondContact O-N 2.89Å; D41-G43 PolarHBondContact OD1-N 3.23Å; G43-C69 WeakPolarHBondContact CA-O 3.36Å
44	P	82.1	Confident	88.8	Confident	82 Å²	82	66.4 Å²	66.4	53%	0.532	36%	0.364	S	S	.	.	S	Bend	trans	-88.1	-6.9	-171.2	34.3	-35.6	0	0	0	114.5	Q70	P44-Q70 VanDerWaalsContact CD-OE1 3.23Å; P44-Q70 HydrophobicContact CG-CB 4.45Å; P44-Q70 HydrophobicContact CG-CG 3.93Å
45	C	87.3	Confident	89.3	Confident	57 Å²	57	65.8 Å²	65.8	39%	0.385	36%	0.358	S	S	.	.			trans	-78.6	163.1	-179.4	-72.8	0	0	0	0	112.5	G67 C69	C45-G67 CarbonylContact C-O 3.53Å; C45-G67 WeakPolarHBondContact CA-O 3.28Å; C45-G67 WeakPolarHBondContact CB-O 3.41Å; C45-G67 WeakPolarHBondContact O-CA 3.25Å; C45-C69 HydrophobicContact CB-CB 3.77Å; C45-C69 WeakPolarHBondContact CB-SG 3.37Å; C45-C69 PolarHBondContact N-SG 2.64Å; C45-C69 WeakPolarHBondContact SG-CB 3.47Å; C45-C69 CovalentContact SG-SG 2Å; C45-C69 PolarHBondContact SG-SG 2.75Å
46	K	83.3	Confident	89.2	Confident	206 Å²	206	68.7 Å²	68.7	90%	0.896	37%	0.366	S	S	*	.			trans	-105	5.3	-171	-63.6	-174	179.3	-179.5	0	114.9	G67	K46-G67 PolarHBondContact N-O 2.83Å
47	A	74.2	Confident	89	Confident	41 Å²	41	77.1 Å²	77.1	34%	0.339	41%	0.406	S	S	.	.			trans	-68.4	155.8	173.4	0	0	0	0	0	110.3	F49 G67	A47-F49 HydrophobicContact CB-CD2 3.84Å; A47-F49 HydrophobicContact CB-CE2 3.34Å; A47-F49 HydrophobicContact CB-CZ 3.99Å; A47-G67 WeakPolarHBondContact CA-O 3.37Å; A47-G67 VanDerWaalsContact CB-O 3.26Å; A47-G67 WeakPolarHBondContact CB-O 3.42Å; A47-G67 PolarHBondContact N-O 3.23Å; A47-G67 CarbonylContact O-C 3.5Å; A47-G67 WeakPolarHBondContact O-CA 3.14Å
48	Q	87.1	Confident	89.1	Confident	167 Å²	167	75.9 Å²	75.9	78%	0.78	40%	0.402	S	S	*	.			trans	-115.6	85.2	179.1	-67.8	-158.7	-12.5	0	0	110.5	V65	Q48-V65 HydrophobicContact CB-CG1 4.06Å; Q48-V65 HydrophobicContact CG-CG1 3.96Å
49	F	87.7	Confident	88.9	Confident	103 Å²	103	81 Å²	81	45%	0.452	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.8	171.5	-58.2	-69.5	0	0	0	109.5	A47 K51 Y66	A47-F49 HydrophobicContact CB-CD2 3.84Å; A47-F49 HydrophobicContact CB-CE2 3.34Å; A47-F49 HydrophobicContact CB-CZ 3.99Å; F49-K51 HydrophobicContact CB-CG 4.44Å; F49-K51 PolarHBondContact O-N 2.03Å; F49-Y66 HydrophobicContact CB-CD1 4.4Å; F49-Y66 HydrophobicContact CD2-CD1 4.21Å; F49-Y66 PolarHBondContact N-O 2.98Å; F49-Y66 PolarHBondContact O-N 2.9Å
50	T	92.7	Very high	88.9	Confident	94 Å²	94	82.4 Å²	82.4	58%	0.577	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.6	169.9	-59.6	0	0	0	0	108.3	P63	T50-P63 HydrophobicContact CG2-CB 4.11Å
51	K	96	Very high	89	Confident	43 Å²	43	80.4 Å²	80.4	19%	0.187	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	169	174.8	-62.4	-66.5	-177.5	178.9	0	108.5	F49 P63 F64 Y66 R75 D77	F49-K51 HydrophobicContact CB-CG 4.44Å; F49-K51 PolarHBondContact O-N 2.03Å; K51-P63 CarbonylContact O-C 3.5Å; K51-P63 VanDerWaalsContact O-CA 3.26Å; K51-P63 WeakPolarHBondContact O-CA 3.17Å; K51-F64 HydrophobicContact CB-CD1 4.1Å; K51-F64 HydrophobicContact CB-CE1 3.57Å; K51-F64 HydrophobicContact CB-CZ 4.07Å; K51-F64 PolarHBondContact N-O 2.85Å; K51-F64 WeakPolarHBondContact O-CD1 3.49Å; K51-F64 PolarHBondContact O-N 3.24Å; K51-Y66 HydrophobicContact CG-CD1 4.46Å; K51-Y66 HydrophobicContact CG-CG 4.46Å; K51-R75 HydrophobicContact CB-CG 3.8Å; K51-R75 HydrophobicContact CD-CG 4.42Å; K51-R75 HydrophobicContact CG-CG 3.88Å; K51-D77 WeakPolarHBondContact CD-OD1 3.49Å; K51-D77 WeakPolarHBondContact CE-OD1 3.22Å; K51-D77 IonicContact NZ-OD1 3.88Å; K51-D77 PolarHBondContact NZ-OD1 2.89Å; K51-D77 IonicContact NZ-OD2 3.66Å
52	Y	96.6	Very high	89.1	Confident	64 Å²	64	80.1 Å²	80.1	25%	0.251	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.1	176.7	-63.8	-93.1	0	0	0	110.1	E62 P63 R75 F76 L79	Y52-E62 CarbonylContact C-O 3.54Å; Y52-E62 WeakPolarHBondContact CA-O 3.32Å; Y52-P63 HydrophobicContact CD1-CB 4.27Å; Y52-P63 HydrophobicContact CE1-CB 4.08Å; Y52-R75 CarbonylContact O-C 3.47Å; Y52-R75 WeakPolarHBondContact O-CA 3.35Å; Y52-F76 PolarHBondContact N-O 2.75Å; Y52-F76 WeakPolarHBondContact O-CD2 3.02Å; Y52-F76 PolarHBondContact O-N 3.41Å; Y52-L79 HydrophobicContact CD1-CB 3.84Å; Y52-L79 HydrophobicContact CD1-CD1 3.77Å; Y52-L79 HydrophobicContact CD1-CG 4.38Å; Y52-L79 HydrophobicContact CD2-CB 4.46Å; Y52-L79 HydrophobicContact CE1-CB 3.65Å; Y52-L79 HydrophobicContact CE1-CD1 4.05Å; Y52-L79 HydrophobicContact CE1-CG 4.29Å; Y52-L79 HydrophobicContact CE2-CB 4.29Å; Y52-L79 HydrophobicContact CG-CB 4.24Å
53	Y	95.2	Very high	89.3	Confident	34 Å²	34	83 Å²	83	13%	0.133	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.3	171	79.9	-75.7	0	0	0	109.5	V40 N55 C61 E62 F64 N74 C82	V40-Y53 HydrophobicContact CB-CD1 4.04Å; V40-Y53 HydrophobicContact CB-CD2 3.53Å; V40-Y53 HydrophobicContact CB-CE1 4.13Å; V40-Y53 HydrophobicContact CB-CE2 3.63Å; V40-Y53 HydrophobicContact CB-CG 3.72Å; V40-Y53 HydrophobicContact CG1-CE2 4.13Å; V40-Y53 HydrophobicContact CG2-CD1 3.67Å; V40-Y53 HydrophobicContact CG2-CD2 4.07Å; V40-Y53 HydrophobicContact CG2-CE1 3.97Å; V40-Y53 HydrophobicContact CG2-CE2 4.34Å; V40-Y53 HydrophobicContact CG2-CG 3.71Å; Y53-N55 HydrophobicContact CD2-CB 4.35Å; Y53-N55 HydrophobicContact CE2-CB 3.55Å; Y53-N55 PolarHBondContact O-N 3.48Å; Y53-N55 PolarHBondContact OH-ND2 3.19Å; Y53-C61 CarbonylContact O-C 3.55Å; Y53-C61 VanDerWaalsContact O-CA 3.27Å; Y53-C61 WeakPolarHBondContact O-CA 3.46Å; Y53-E62 HydrophobicContact CD1-CB 4.37Å; Y53-E62 WeakPolarHBondContact CD1-O 3.43Å; Y53-E62 HydrophobicContact CE1-CB 3.81Å; Y53-E62 PolarHBondContact N-O 3.16Å; Y53-E62 PolarHBondContact O-N 2.98Å; Y53-E62 PolarHBondContact OH-OE2 2.88Å; Y53-F64 HydrophobicContact CD1-CB 3.89Å; Y53-F64 AromaticContact CD1-CD1 3.77Å; Y53-F64 HydrophobicContact CD1-CD1 3.77Å; Y53-F64 HydrophobicContact CD1-CG 4.08Å; Y53-F64 HydrophobicContact CE1-CB 4.13Å; Y53-F64 HydrophobicContact CG-CD1 4.25Å; Y53-N74 WeakPolarHBondContact CB-O 3.45Å; Y53-C82 VanDerWaalsContact C-SG 3.53Å
54	Y	94.5	Very high	89.7	Confident	25 Å²	25	83 Å²	83	10%	0.098	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.6	171.5	-176	-104.1	0	0	0	109.9	C36 K56 N74 C86	C36-Y54 HydrophobicContact CB-CD1 3.99Å; C36-Y54 HydrophobicContact CB-CG 4.37Å; Y54-K56 HydrophobicContact CD1-CG 4.46Å; Y54-K56 HydrophobicContact CE1-CG 4.44Å; Y54-K56 PolarHBondContact O-N 3.21Å; Y54-N74 PolarHBondContact N-OD1 2.88Å; Y54-N74 PolarHBondContact O-ND2 2.72Å; Y54-C86 HydrophobicContact CD1-CB 4.16Å; Y54-C86 HydrophobicContact CD2-CB 3.39Å; Y54-C86 HydrophobicContact CE2-CB 4.05Å; Y54-C86 HydrophobicContact CG-CB 3.44Å; Y54-C86 VanDerWaalsContact CG-CB 3.44Å
55	N	91.4	Very high	90.2	Very high	22 Å²	22	82.9 Å²	82.9	12%	0.118	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.8	173.4	-174.8	-22	0	0	0	109.5	Y53 E57 S58 K59 K60 E62	Y53-N55 HydrophobicContact CD2-CB 4.35Å; Y53-N55 HydrophobicContact CE2-CB 3.55Å; Y53-N55 PolarHBondContact O-N 3.48Å; Y53-N55 PolarHBondContact OH-ND2 3.19Å; N55-E57 VanDerWaalsContact C-N 3.31Å; N55-E57 PolarHBondContact O-N 2.85Å; N55-E57 WeakPolarHBondContact OD1-CB 3.34Å; N55-E57 PolarHBondContact OD1-N 3.38Å; N55-S58 WeakPolarHBondContact CB-OG 3.28Å; N55-S58 PolarHBondContact OD1-N 2.96Å; N55-K59 VanDerWaalsContact O-CA 3.26Å; N55-K59 WeakPolarHBondContact O-CA 3.15Å; N55-K59 PolarHBondContact O-N 2.02Å; N55-K60 PolarHBondContact N-O 3.35Å; N55-K60 PolarHBondContact O-N 3.22Å; N55-E62 HydrophobicContact CB-CG 4.35Å; N55-E62 WeakPolarHBondContact CB-OE2 3.28Å; N55-E62 PolarHBondContact ND2-OE2 3.07Å
56	K	85.4	Confident	90.4	Very high	102 Å²	102	81.4 Å²	81.4	44%	0.443	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.2	179	-77.6	-175	168.3	-178.8	0	114	C36 N37 Y54	C36-K56 VanDerWaalsContact O-CE 3.26Å; C36-K56 WeakPolarHBondContact O-CE 3.4Å; N37-K56 VanDerWaalsContact CA-NZ 3.29Å; N37-K56 WeakPolarHBondContact O-CE 3.05Å; N37-K56 PolarHBondContact O-NZ 3.13Å; N37-K56 VanDerWaalsContact OD1-CE 3.22Å; N37-K56 WeakPolarHBondContact OD1-CE 3.02Å; N37-K56 PolarHBondContact OD1-NZ 2.87Å; Y54-K56 HydrophobicContact CD1-CG 4.46Å; Y54-K56 HydrophobicContact CE1-CG 4.44Å; Y54-K56 PolarHBondContact O-N 3.21Å
57	E	84.8	Confident	90.7	Very high	179 Å²	179	71.9 Å²	71.9	84%	0.836	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-49.4	-177.3	-71.3	171.3	159.8	0	0	110.4	N55 K59	N55-E57 VanDerWaalsContact C-N 3.31Å; N55-E57 PolarHBondContact O-N 2.85Å; N55-E57 WeakPolarHBondContact OD1-CB 3.34Å; N55-E57 PolarHBondContact OD1-N 3.38Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 2.84Å
58	S	89	Confident	91.2	Very high	44 Å²	44	71.5 Å²	71.5	31%	0.308	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-14	178.4	72.4	0	0	0	0	113.7	N55 K60 E62	N55-S58 WeakPolarHBondContact CB-OG 3.28Å; N55-S58 PolarHBondContact OD1-N 2.96Å; S58-K60 PolarHBondContact O-N 3.19Å; S58-K60 PolarHBondContact OG-N 3.13Å; S58-E62 WeakPolarHBondContact CB-OE1 3.31Å; S58-E62 PolarHBondContact OG-OE1 3.31Å
59	K	85.6	Confident	91.2	Very high	162 Å²	162	65.1 Å²	65.1	70%	0.704	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	29.8	-171.8	-55.8	-178.7	-178.8	176.8	0	112.8	N55 E57	N55-K59 VanDerWaalsContact O-CA 3.26Å; N55-K59 WeakPolarHBondContact O-CA 3.15Å; N55-K59 PolarHBondContact O-N 2.02Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 2.84Å
60	K	90.6	Very high	91.1	Very high	140 Å²	140	67 Å²	67	61%	0.609	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.2	-178.8	-68.3	175.6	-176	179.1	0	110.1	N55 S58 E62	N55-K60 PolarHBondContact N-O 3.35Å; N55-K60 PolarHBondContact O-N 3.22Å; S58-K60 PolarHBondContact O-N 3.19Å; S58-K60 PolarHBondContact OG-N 3.13Å; K60-E62 HydrophobicContact CB-CG 4.39Å
61	C	94.4	Very high	90.8	Very high	17 Å²	17	63.6 Å²	63.6	12%	0.115	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.3	165.6	-73.9	0	0	0	0	109.1	Y53 L79 C82 T83	Y53-C61 CarbonylContact O-C 3.55Å; Y53-C61 VanDerWaalsContact O-CA 3.27Å; Y53-C61 WeakPolarHBondContact O-CA 3.46Å; C61-L79 HydrophobicContact CB-CD1 3.48Å; C61-L79 VanDerWaalsContact CB-CD1 3.48Å; C61-L79 WeakPolarHBondContact O-CD1 3.22Å; C61-C82 HydrophobicContact CB-CB 3.62Å; C61-C82 WeakPolarHBondContact CB-SG 2.95Å; C61-C82 WeakPolarHBondContact SG-CB 3.21Å; C61-C82 PolarHBondContact SG-O 2.87Å; C61-C82 VanDerWaalsContact SG-O 3.4Å; C61-C82 CovalentContact SG-SG 2.02Å; C61-C82 PolarHBondContact SG-SG 3.44Å; C61-T83 HydrophobicContact CB-CG2 3.98Å; C61-T83 PolarHBondContact SG-N 2.89Å; C61-T83 VanDerWaalsContact SG-N 3.38Å
62	E	95.1	Very high	90.6	Very high	55 Å²	55	63.3 Å²	63.3	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146	-174.4	-69.8	174.9	-178	0	0	109.6	Y52 Y53 N55 S58 K60	Y52-E62 CarbonylContact C-O 3.54Å; Y52-E62 WeakPolarHBondContact CA-O 3.32Å; Y53-E62 HydrophobicContact CD1-CB 4.37Å; Y53-E62 WeakPolarHBondContact CD1-O 3.43Å; Y53-E62 HydrophobicContact CE1-CB 3.81Å; Y53-E62 PolarHBondContact N-O 3.16Å; Y53-E62 PolarHBondContact O-N 2.98Å; Y53-E62 PolarHBondContact OH-OE2 2.88Å; N55-E62 HydrophobicContact CB-CG 4.35Å; N55-E62 WeakPolarHBondContact CB-OE2 3.28Å; N55-E62 PolarHBondContact ND2-OE2 3.07Å; S58-E62 WeakPolarHBondContact CB-OE1 3.31Å; S58-E62 PolarHBondContact OG-OE1 3.31Å; K60-E62 HydrophobicContact CB-CG 4.39Å
63	P	95.8	Very high	90.4	Very high	83 Å²	83	67 Å²	67	54%	0.539	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	146.6	175.4	30.4	-33.9	0	0	0	110.9	T50 K51 Y52	T50-P63 HydrophobicContact CG2-CB 4.11Å; K51-P63 CarbonylContact O-C 3.5Å; K51-P63 VanDerWaalsContact O-CA 3.26Å; K51-P63 WeakPolarHBondContact O-CA 3.17Å; Y52-P63 HydrophobicContact CD1-CB 4.27Å; Y52-P63 HydrophobicContact CE1-CB 4.08Å
64	F	95.2	Very high	90.3	Very high	23 Å²	23	65.4 Å²	65.4	10%	0.101	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160	169	80.9	-73.4	0	0	0	110.8	V40 D41 K51 Y53 R75	V40-F64 HydrophobicContact CG2-CB 3.65Å; V40-F64 HydrophobicContact CG2-CD1 3.9Å; V40-F64 HydrophobicContact CG2-CD2 3.29Å; V40-F64 HydrophobicContact CG2-CE1 4.34Å; V40-F64 HydrophobicContact CG2-CE2 3.8Å; V40-F64 HydrophobicContact CG2-CG 3.33Å; V40-F64 HydrophobicContact CG2-CZ 4.28Å; D41-F64 WeakPolarHBondContact O-CE2 3.48Å; K51-F64 HydrophobicContact CB-CD1 4.1Å; K51-F64 HydrophobicContact CB-CE1 3.57Å; K51-F64 HydrophobicContact CB-CZ 4.07Å; K51-F64 PolarHBondContact N-O 2.85Å; K51-F64 WeakPolarHBondContact O-CD1 3.49Å; K51-F64 PolarHBondContact O-N 3.24Å; Y53-F64 HydrophobicContact CD1-CB 3.89Å; Y53-F64 AromaticContact CD1-CD1 3.77Å; Y53-F64 HydrophobicContact CD1-CD1 3.77Å; Y53-F64 HydrophobicContact CD1-CG 4.08Å; Y53-F64 HydrophobicContact CE1-CB 4.13Å; Y53-F64 HydrophobicContact CG-CD1 4.25Å; F64-R75 HydrophobicContact CE1-CB 4.19Å; F64-R75 HydrophobicContact CE1-CG 3.99Å; F64-R75 HydrophobicContact CZ-CB 3.89Å; F64-R75 HydrophobicContact CZ-CG 3.67Å
65	V	92.9	Very high	90.4	Very high	80 Å²	80	67.9 Å²	67.9	49%	0.485	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.3	176.1	-177.5	0	0	0	0	109.1	Q48	Q48-V65 HydrophobicContact CB-CG1 4.06Å; Q48-V65 HydrophobicContact CG-CG1 3.96Å
66	Y	91.9	Very high	90.6	Very high	26 Å²	26	67 Å²	67	10%	0.102	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.3	171.1	175.7	-120.1	0	0	0	110.2	G42 F49 K51 G68 C69 Q70 R75	G42-Y66 WeakPolarHBondContact O-CD2 3.28Å; F49-Y66 HydrophobicContact CB-CD1 4.4Å; F49-Y66 HydrophobicContact CD2-CD1 4.21Å; F49-Y66 PolarHBondContact N-O 2.98Å; F49-Y66 PolarHBondContact O-N 2.9Å; K51-Y66 HydrophobicContact CG-CD1 4.46Å; K51-Y66 HydrophobicContact CG-CG 4.46Å; Y66-G68 PolarHBondContact O-N 3.39Å; Y66-G68 VanDerWaalsContact O-N 3.1Å; Y66-C69 WeakPolarHBondContact CE2-O 3.31Å; Y66-C69 WeakPolarHBondContact OH-CA 3.27Å; Y66-C69 PolarHBondContact OH-N 3.14Å; Y66-Q70 WeakPolarHBondContact CE2-O 3.37Å; Y66-Q70 PolarHBondContact OH-O 3.35Å; Y66-R75 VanDerWaalsContact CZ-NH1 3.29Å; Y66-R75 PolarHBondContact OH-NH1 2.78Å
67	G	89.6	Confident	90.9	Very high	5 Å²	5	66.8 Å²	66.8	5%	0.052	34%	0.34	C	S	.	.			trans	-62.6	-11.5	-177.1	0	0	0	0	0	115.3	G42 C45 K46 A47	G42-G67 WeakPolarHBondContact O-CA 3.39Å; G42-G67 PolarHBondContact O-N 2.75Å; C45-G67 CarbonylContact C-O 3.53Å; C45-G67 WeakPolarHBondContact CA-O 3.28Å; C45-G67 WeakPolarHBondContact CB-O 3.41Å; C45-G67 WeakPolarHBondContact O-CA 3.25Å; K46-G67 PolarHBondContact N-O 2.83Å; A47-G67 WeakPolarHBondContact CA-O 3.37Å; A47-G67 VanDerWaalsContact CB-O 3.26Å; A47-G67 WeakPolarHBondContact CB-O 3.42Å; A47-G67 PolarHBondContact N-O 3.23Å; A47-G67 CarbonylContact O-C 3.5Å; A47-G67 WeakPolarHBondContact O-CA 3.14Å
68	G	84.9	Confident	91.2	Very high	33 Å²	33	61.4 Å²	61.4	34%	0.34	32%	0.319	S	S	.	.	S	Bend	trans	95.2	-5.8	179.7	0	0	0	0	0	115.3	Y66	Y66-G68 PolarHBondContact O-N 3.39Å; Y66-G68 VanDerWaalsContact O-N 3.1Å
69	C	85.5	Confident	91.3	Very high	34 Å²	34	63 Å²	63	23%	0.23	32%	0.324	C	S	.	.	S	Bend	trans	-147.5	161.4	173	76.7	0	0	0	0	111.9	G43 C45 Y66 G71	G43-C69 WeakPolarHBondContact CA-O 3.36Å; C45-C69 HydrophobicContact CB-CB 3.77Å; C45-C69 WeakPolarHBondContact CB-SG 3.37Å; C45-C69 PolarHBondContact N-SG 2.64Å; C45-C69 WeakPolarHBondContact SG-CB 3.47Å; C45-C69 CovalentContact SG-SG 2Å; C45-C69 PolarHBondContact SG-SG 2.75Å; Y66-C69 WeakPolarHBondContact CE2-O 3.31Å; Y66-C69 WeakPolarHBondContact OH-CA 3.27Å; Y66-C69 PolarHBondContact OH-N 3.14Å; C69-G71 PolarHBondContact O-N 3.28Å
70	Q	86.2	Confident	91.5	Very high	142 Å²	142	62.7 Å²	62.7	66%	0.664	33%	0.325	S	S	*	.			trans	54.5	-128.2	-173.8	-50.7	-174.1	1.6	0	0	112.1	P44 Y66 R75	P44-Q70 VanDerWaalsContact CD-OE1 3.23Å; P44-Q70 HydrophobicContact CG-CB 4.45Å; P44-Q70 HydrophobicContact CG-CG 3.93Å; Y66-Q70 WeakPolarHBondContact CE2-O 3.37Å; Y66-Q70 PolarHBondContact OH-O 3.35Å; Q70-R75 PolarHBondContact O-NH1 3.35Å
71	G	86.7	Confident	91.5	Very high	23 Å²	23	58.7 Å²	58.7	24%	0.237	31%	0.309	C	S	.	.			trans	74.5	-171.9	-171.6	0	0	0	0	0	112.6	D41 C69	D41-G71 VanDerWaalsContact CG-CA 3.43Å; D41-G71 WeakPolarHBondContact O-CA 3.43Å; D41-G71 VanDerWaalsContact OD2-CA 3.31Å; D41-G71 WeakPolarHBondContact OD2-CA 2.98Å; C69-G71 PolarHBondContact O-N 3.28Å
72	N	91.2	Very high	91.4	Very high	36 Å²	36	57.9 Å²	57.9	19%	0.193	30%	0.303	C	S	.	.			trans	-130.1	-178.3	175.5	73	47.9	0	0	0	111.6	L38 T39 D41 N74 R75	L38-N72 HydrophobicContact CD1-CB 4.1Å; T39-N72 PolarHBondContact O-ND2 2.84Å; T39-N72 PolarHBondContact O-OD1 2.84Å; D41-N72 HydrophobicContact CB-CB 4.34Å; D41-N72 VanDerWaalsContact CB-ND2 3.26Å; D41-N72 WeakPolarHBondContact CB-ND2 3.48Å; N72-N74 VanDerWaalsContact C-N 3.27Å; N72-N74 PolarHBondContact O-N 2.79Å; N72-N74 WeakPolarHBondContact OD1-CB 3.04Å; N72-N74 PolarHBondContact OD1-N 3.39Å; N72-R75 WeakPolarHBondContact O-CB 3.27Å
73	R	92.8	Very high	91.2	Very high	142 Å²	142	58 Å²	58	54%	0.536	31%	0.307	S	S	.	.	S	Bend	trans	-74.6	-9.4	-173.4	-56.9	-173.7	-159.5	151.6	5	114.5	P35 L38 R75	P35-R73 HydrophobicContact CB-CB 3.88Å; P35-R73 WeakPolarHBondContact CB-O 3.36Å; P35-R73 HydrophobicContact CG-CB 4.14Å; L38-R73 HydrophobicContact CD1-CB 3.91Å; R73-R75 PolarHBondContact O-N 3.37Å
74	N	94	Very high	90.7	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.311	C	S	.	.			trans	-77.6	58.2	170.6	-162.3	7.6	0	0	0	109.7	P35 L38 Y53 Y54 N72 F76	P35-N74 VanDerWaalsContact O-CB 3.31Å; P35-N74 WeakPolarHBondContact O-CB 3.13Å; L38-N74 HydrophobicContact CB-CB 4.02Å; L38-N74 PolarHBondContact O-ND2 2.79Å; Y53-N74 WeakPolarHBondContact CB-O 3.45Å; Y54-N74 PolarHBondContact N-OD1 2.88Å; Y54-N74 PolarHBondContact O-ND2 2.72Å; N72-N74 VanDerWaalsContact C-N 3.27Å; N72-N74 PolarHBondContact O-N 2.79Å; N72-N74 WeakPolarHBondContact OD1-CB 3.04Å; N72-N74 PolarHBondContact OD1-N 3.39Å; N74-F76 VanDerWaalsContact OD1-CE2 3.32Å; N74-F76 WeakPolarHBondContact OD1-CE2 3.24Å
75	R	95.3	Very high	90.3	Very high	76 Å²	76	62.4 Å²	62.4	29%	0.287	33%	0.332	S	S	.	.			trans	-148	111.4	-176.1	179.7	179.4	69.2	-131.8	4.1	106.8	K51 Y52 F64 Y66 Q70 N72 R73	K51-R75 HydrophobicContact CB-CG 3.8Å; K51-R75 HydrophobicContact CD-CG 4.42Å; K51-R75 HydrophobicContact CG-CG 3.88Å; Y52-R75 CarbonylContact O-C 3.47Å; Y52-R75 WeakPolarHBondContact O-CA 3.35Å; F64-R75 HydrophobicContact CE1-CB 4.19Å; F64-R75 HydrophobicContact CE1-CG 3.99Å; F64-R75 HydrophobicContact CZ-CB 3.89Å; F64-R75 HydrophobicContact CZ-CG 3.67Å; Y66-R75 VanDerWaalsContact CZ-NH1 3.29Å; Y66-R75 PolarHBondContact OH-NH1 2.78Å; Q70-R75 PolarHBondContact O-NH1 3.35Å; N72-R75 WeakPolarHBondContact O-CB 3.27Å; R73-R75 PolarHBondContact O-N 3.37Å
76	F	95.2	Very high	90	Very high	5 Å²	5	58.6 Å²	58.6	2%	0.022	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-120.7	147.9	-177.4	-52.6	-78.9	0	0	0	108.6	P35 Y52 N74 E81 C82 K85 C86	P35-F76 HydrophobicContact CB-CZ 4.18Å; Y52-F76 PolarHBondContact N-O 2.75Å; Y52-F76 WeakPolarHBondContact O-CD2 3.02Å; Y52-F76 PolarHBondContact O-N 3.41Å; N74-F76 VanDerWaalsContact OD1-CE2 3.32Å; N74-F76 WeakPolarHBondContact OD1-CE2 3.24Å; F76-E81 HydrophobicContact CB-CB 4.28Å; F76-E81 HydrophobicContact CB-CG 4.41Å; F76-E81 HydrophobicContact CD1-CG 4.21Å; F76-C82 HydrophobicContact CB-CB 3.73Å; F76-C82 HydrophobicContact CD2-CB 3.35Å; F76-C82 WeakPolarHBondContact CD2-SG 3.47Å; F76-C82 HydrophobicContact CE2-CB 4.08Å; F76-C82 HydrophobicContact CG-CB 3.64Å; F76-K85 HydrophobicContact CD1-CD 3.87Å; F76-K85 HydrophobicContact CE1-CB 3.88Å; F76-K85 HydrophobicContact CE1-CD 3.51Å; F76-K85 HydrophobicContact CE1-CG 4.3Å; F76-K85 HydrophobicContact CZ-CB 4.31Å; F76-C86 WeakPolarHBondContact CZ-SG 3.42Å
77	D	91.5	Very high	89	Confident	96 Å²	96	60 Å²	60	51%	0.513	33%	0.326	S	S	.	.	S	Bend	trans	-79.6	-30	-172.9	-70.8	-16.5	0	0	0	111.9	K51 E81	K51-D77 WeakPolarHBondContact CD-OD1 3.49Å; K51-D77 WeakPolarHBondContact CE-OD1 3.22Å; K51-D77 IonicContact NZ-OD1 3.88Å; K51-D77 PolarHBondContact NZ-OD1 2.89Å; K51-D77 IonicContact NZ-OD2 3.66Å; D77-E81 PolarHBondContact N-OE2 3.32Å
78	T	92.1	Very high	87.6	Confident	67 Å²	67	67.8 Å²	67.8	41%	0.411	36%	0.361	S	S	.	.	S	Bend	trans	-128.1	156.5	177.8	71.4	0	0	0	0	111.6	E80 E81 C82	T78-E80 PolarHBondContact O-N 2.68Å; T78-E81 PolarHBondContact O-N 3.35Å; T78-E81 WeakPolarHBondContact OG1-CB 3.42Å; T78-E81 PolarHBondContact OG1-N 3.49Å; T78-C82 PolarHBondContact O-N 3.21Å; T78-C82 VanDerWaalsContact O-N 3.12Å
79	L	91.8	Very high	86	Confident	77 Å²	77	71 Å²	71	40%	0.403	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-39.7	172.4	-178.9	59.6	0	0	0	110.8	Y52 C61 C82 T83	Y52-L79 HydrophobicContact CD1-CB 3.84Å; Y52-L79 HydrophobicContact CD1-CD1 3.77Å; Y52-L79 HydrophobicContact CD1-CG 4.38Å; Y52-L79 HydrophobicContact CD2-CB 4.46Å; Y52-L79 HydrophobicContact CE1-CB 3.65Å; Y52-L79 HydrophobicContact CE1-CD1 4.05Å; Y52-L79 HydrophobicContact CE1-CG 4.29Å; Y52-L79 HydrophobicContact CE2-CB 4.29Å; Y52-L79 HydrophobicContact CG-CB 4.24Å; C61-L79 HydrophobicContact CB-CD1 3.48Å; C61-L79 VanDerWaalsContact CB-CD1 3.48Å; C61-L79 WeakPolarHBondContact O-CD1 3.22Å; L79-C82 PolarHBondContact O-N 3.35Å; L79-T83 HydrophobicContact CD1-CG2 4.17Å; L79-T83 HydrophobicContact CG-CG2 4.4Å; L79-T83 WeakPolarHBondContact O-CB 3.4Å; L79-T83 VanDerWaalsContact O-CG2 3.31Å; L79-T83 WeakPolarHBondContact O-CG2 3.36Å; L79-T83 PolarHBondContact O-N 2.73Å; L79-T83 PolarHBondContact O-OG1 3.06Å
80	E	88.3	Confident	83.9	Confident	155 Å²	155	78 Å²	78	72%	0.724	39%	0.394	S	S	*	.	H	α-helix	trans	-59.9	-45.1	175.8	-79.3	-178.2	154.5	0	0	111.9	T78 C82 T83 A84	T78-E80 PolarHBondContact O-N 2.68Å; E80-C82 PolarHBondContact O-N 3.12Å; E80-T83 WeakPolarHBondContact CA-OG1 3.25Å; E80-T83 PolarHBondContact O-N 2.85Å; E80-T83 PolarHBondContact O-OG1 3.49Å; E80-A84 VanDerWaalsContact O-CB 3.25Å; E80-A84 WeakPolarHBondContact O-CB 3.41Å; E80-A84 PolarHBondContact O-N 2.91Å
81	E	90.7	Very high	81.8	Confident	57 Å²	57	80.8 Å²	80.8	27%	0.266	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-44.7	178.8	-169.5	-161.4	169	0	0	111.7	F76 D77 T78 A84 K85	F76-E81 HydrophobicContact CB-CB 4.28Å; F76-E81 HydrophobicContact CB-CG 4.41Å; F76-E81 HydrophobicContact CD1-CG 4.21Å; D77-E81 PolarHBondContact N-OE2 3.32Å; T78-E81 PolarHBondContact O-N 3.35Å; T78-E81 WeakPolarHBondContact OG1-CB 3.42Å; T78-E81 PolarHBondContact OG1-N 3.49Å; E81-A84 PolarHBondContact O-N 3.3Å; E81-K85 HydrophobicContact CG-CD 4.22Å; E81-K85 WeakPolarHBondContact O-CB 3.5Å; E81-K85 PolarHBondContact O-N 3.38Å; E81-K85 IonicContact OE1-NZ 3.11Å; E81-K85 PolarHBondContact OE1-NZ 3.1Å
82	C	92.9	Very high	79.7	Confident	0 Å²	0	88.7 Å²	88.7	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-60.3	-47.6	175.8	-179	0	0	0	0	111.2	Y53 C61 F76 T78 L79 E80 K85 C86	Y53-C82 VanDerWaalsContact C-SG 3.53Å; C61-C82 HydrophobicContact CB-CB 3.62Å; C61-C82 WeakPolarHBondContact CB-SG 2.95Å; C61-C82 WeakPolarHBondContact SG-CB 3.21Å; C61-C82 PolarHBondContact SG-O 2.87Å; C61-C82 VanDerWaalsContact SG-O 3.4Å; C61-C82 CovalentContact SG-SG 2.02Å; C61-C82 PolarHBondContact SG-SG 3.44Å; F76-C82 HydrophobicContact CB-CB 3.73Å; F76-C82 HydrophobicContact CD2-CB 3.35Å; F76-C82 WeakPolarHBondContact CD2-SG 3.47Å; F76-C82 HydrophobicContact CE2-CB 4.08Å; F76-C82 HydrophobicContact CG-CB 3.64Å; T78-C82 PolarHBondContact O-N 3.21Å; T78-C82 VanDerWaalsContact O-N 3.12Å; L79-C82 PolarHBondContact O-N 3.35Å; E80-C82 PolarHBondContact O-N 3.12Å; C82-K85 PolarHBondContact O-N 2.87Å; C82-C86 WeakPolarHBondContact O-CB 3.19Å; C82-C86 PolarHBondContact O-N 2.82Å
83	T	90.6	Very high	77.9	Confident	56 Å²	56	93.9 Å²	93.9	34%	0.344	46%	0.458	S	S	.	.	H	α-helix	trans	-65.8	-42.7	-179.5	54.2	0	0	0	0	111.2	C61 L79 E80 K85 C86 A87	C61-T83 HydrophobicContact CB-CG2 3.98Å; C61-T83 PolarHBondContact SG-N 2.89Å; C61-T83 VanDerWaalsContact SG-N 3.38Å; L79-T83 HydrophobicContact CD1-CG2 4.17Å; L79-T83 HydrophobicContact CG-CG2 4.4Å; L79-T83 WeakPolarHBondContact O-CB 3.4Å; L79-T83 VanDerWaalsContact O-CG2 3.31Å; L79-T83 WeakPolarHBondContact O-CG2 3.36Å; L79-T83 PolarHBondContact O-N 2.73Å; L79-T83 PolarHBondContact O-OG1 3.06Å; E80-T83 WeakPolarHBondContact CA-OG1 3.25Å; E80-T83 PolarHBondContact O-N 2.85Å; E80-T83 PolarHBondContact O-OG1 3.49Å; T83-K85 VanDerWaalsContact C-N 3.32Å; T83-K85 PolarHBondContact O-N 3.44Å; T83-C86 PolarHBondContact O-N 3.33Å; T83-A87 WeakPolarHBondContact O-CA 3.12Å; T83-A87 WeakPolarHBondContact O-CB 3.17Å; T83-A87 PolarHBondContact O-N 2.86Å
84	A	84.6	Confident	76.9	Confident	74 Å²	74	90.8 Å²	90.8	61%	0.612	45%	0.451	S	S	*	.	H	α-helix	trans	-60.2	-40.4	175.7	0	0	0	0	0	112.2	E80 E81	E80-A84 VanDerWaalsContact O-CB 3.25Å; E80-A84 WeakPolarHBondContact O-CB 3.41Å; E80-A84 PolarHBondContact O-N 2.91Å; E81-A84 PolarHBondContact O-N 3.3Å
85	K	88	Confident	76.3	Confident	125 Å²	125	92.6 Å²	92.6	54%	0.543	46%	0.464	S	S	.	.	H	α-helix	trans	-82.3	-28.5	-177.9	-73.6	179.6	178	170.7	0	114.4	C36 F76 E81 C82 T83	C36-K85 PolarHBondContact SG-O 2.71Å; C36-K85 VanDerWaalsContact SG-O 3.37Å; F76-K85 HydrophobicContact CD1-CD 3.87Å; F76-K85 HydrophobicContact CE1-CB 3.88Å; F76-K85 HydrophobicContact CE1-CD 3.51Å; F76-K85 HydrophobicContact CE1-CG 4.3Å; F76-K85 HydrophobicContact CZ-CB 4.31Å; E81-K85 HydrophobicContact CG-CD 4.22Å; E81-K85 WeakPolarHBondContact O-CB 3.5Å; E81-K85 PolarHBondContact O-N 3.38Å; E81-K85 IonicContact OE1-NZ 3.11Å; E81-K85 PolarHBondContact OE1-NZ 3.1Å; C82-K85 PolarHBondContact O-N 2.87Å; T83-K85 VanDerWaalsContact C-N 3.32Å; T83-K85 PolarHBondContact O-N 3.44Å
86	C	87.3	Confident	76.1	Confident	0 Å²	0	89.7 Å²	89.7	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-120.9	-21.2	-170.6	-61.7	0	0	0	0	115.6	C36 Y54 F76 C82 T83 E88 Q89	C36-C86 HydrophobicContact CB-CB 3.7Å; C36-C86 WeakPolarHBondContact CB-SG 3.18Å; C36-C86 WeakPolarHBondContact SG-CA 3.49Å; C36-C86 WeakPolarHBondContact SG-CB 2.83Å; C36-C86 CovalentContact SG-SG 2.03Å; C36-C86 PolarHBondContact SG-SG 2.56Å; Y54-C86 HydrophobicContact CD1-CB 4.16Å; Y54-C86 HydrophobicContact CD2-CB 3.39Å; Y54-C86 HydrophobicContact CE2-CB 4.05Å; Y54-C86 HydrophobicContact CG-CB 3.44Å; Y54-C86 VanDerWaalsContact CG-CB 3.44Å; F76-C86 WeakPolarHBondContact CZ-SG 3.42Å; C82-C86 WeakPolarHBondContact O-CB 3.19Å; C82-C86 PolarHBondContact O-N 2.82Å; T83-C86 PolarHBondContact O-N 3.33Å; C86-E88 PolarHBondContact O-N 3.45Å; C86-Q89 PolarHBondContact O-N 3.18Å
87	A	69.7	Low	75.7	Confident	56 Å²	56	95.9 Å²	95.9	46%	0.463	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.1	-179.8	0	0	0	0	0	113.1	T83 Q89	T83-A87 WeakPolarHBondContact O-CA 3.12Å; T83-A87 WeakPolarHBondContact O-CB 3.17Å; T83-A87 PolarHBondContact O-N 2.86Å; A87-Q89 VanDerWaalsContact C-N 3.31Å; A87-Q89 PolarHBondContact O-N 3.34Å
88	E	59.6	Low	75.6	Confident	169 Å²	169	93 Å²	93	79%	0.79	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	0.9	175.6	-72	-164.3	158.5	0	0	114.8	C86 K90	C86-E88 PolarHBondContact O-N 3.45Å; E88-K90 PolarHBondContact O-N 2.89Å
89	Q	52.7	Low	75.6	Confident	99 Å²	99	94 Å²	94	46%	0.463	47%	0.474	S	S	.	.			trans	-74.7	28.3	168	-66	-148.7	10.3	0	0	114.1	S34 C86 A87 K91	S34-Q89 PolarHBondContact OG-NE2 3.25Å; C86-Q89 PolarHBondContact O-N 3.18Å; A87-Q89 VanDerWaalsContact C-N 3.31Å; A87-Q89 PolarHBondContact O-N 3.34Å; Q89-K91 VanDerWaalsContact C-N 3.3Å; Q89-K91 PolarHBondContact O-N 2.87Å
90	K	41.7	Very low	75.7	Confident	183 Å²	183	92.1 Å²	92.1	80%	0.796	47%	0.47	S	S	*	.			trans	-62.5	101.3	147.5	-75.8	-174.8	178.3	178.5	0	106.2	E88 Q92	E88-K90 PolarHBondContact O-N 2.89Å; K90-Q92 VanDerWaalsContact C-N 3.34Å; K90-Q92 PolarHBondContact O-N 1.99Å
91	K	41.1	Very low	75.9	Confident	199 Å²	199	88.9 Å²	88.9	87%	0.865	46%	0.455	S	S	*	.			trans	-38.8	109.2	155.2	-109.1	178.3	174.2	-179.4	0	106	Q89 E93	Q89-K91 VanDerWaalsContact C-N 3.3Å; Q89-K91 PolarHBondContact O-N 2.87Å; K91-E93 PolarHBondContact O-N 2.96Å
92	Q	42.8	Very low	76	Confident	190 Å²	190	89.5 Å²	89.5	89%	0.888	46%	0.463	S	S	*	.			trans	-62.4	99.3	167.3	-136.2	173.8	15.7	0	0	103	K90 D94	K90-Q92 VanDerWaalsContact C-N 3.34Å; K90-Q92 PolarHBondContact O-N 1.99Å; Q92-D94 PolarHBondContact O-N 2.79Å; Q92-D94 VanDerWaalsContact O-N 3.12Å
93	E	52.8	Low	75.7	Confident	145 Å²	145	90.8 Å²	90.8	68%	0.678	48%	0.476	S	S	*	.			trans	-52	123.5	171.3	-99	176.8	159.9	0	0	106.1	K91 S95 L98	K91-E93 PolarHBondContact O-N 2.96Å; E93-S95 PolarHBondContact O-N 2.82Å; E93-L98 HydrophobicContact CB-CD2 4.19Å
94	D	72.4	Confident	75.6	Confident	76 Å²	76	92.3 Å²	92.3	41%	0.406	49%	0.487	S	S	.	.			trans	-49.4	107.5	179.1	-179.7	-5.3	0	0	0	107.7	Q92 C96 K97	Q92-D94 PolarHBondContact O-N 2.79Å; Q92-D94 VanDerWaalsContact O-N 3.12Å; D94-C96 PolarHBondContact O-N 3.43Å; D94-C96 WeakPolarHBondContact OD1-CB 3.26Å; D94-C96 PolarHBondContact OD1-N 3.25Å; D94-K97 HydrophobicContact CB-CB 4.31Å; D94-K97 HydrophobicContact CB-CD 4.05Å; D94-K97 HydrophobicContact CB-CG 4.13Å; D94-K97 PolarHBondContact O-N 3.42Å; D94-K97 WeakPolarHBondContact OD2-CD 3.44Å; D94-K97 WeakPolarHBondContact OD2-CE 3.35Å; D94-K97 IonicContact OD2-NZ 2.63Å
95	S	82.3	Confident	75.8	Confident	39 Å²	39	91.4 Å²	91.4	27%	0.273	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-56.4	-30.4	-172	55.5	0	0	0	0	110.9	E93 K97 L98 N134 Y136	E93-S95 PolarHBondContact O-N 2.82Å; S95-K97 PolarHBondContact O-N 2.98Å; S95-L98 PolarHBondContact O-N 3.32Å; S95-N134 WeakPolarHBondContact O-CB 2.99Å; S95-N134 VanDerWaalsContact O-CG 3.26Å; S95-Y136 PolarHBondContact OG-OH 2.89Å
96	C	89.6	Confident	75.8	Confident	16 Å²	16	95.3 Å²	95.3	11%	0.108	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-71.7	-11	178.9	-53.3	0	0	0	0	113.6	D94 Y114 C146	D94-C96 PolarHBondContact O-N 3.43Å; D94-C96 WeakPolarHBondContact OD1-CB 3.26Å; D94-C96 PolarHBondContact OD1-N 3.25Å; C96-Y114 HydrophobicContact CB-CD1 3.91Å; C96-Y114 HydrophobicContact CB-CG 4.38Å; C96-Y114 WeakPolarHBondContact O-CD1 3.45Å; C96-C146 VanDerWaalsContact CA-SG 3.6Å; C96-C146 HydrophobicContact CB-CB 3.73Å; C96-C146 WeakPolarHBondContact CB-SG 3.36Å; C96-C146 WeakPolarHBondContact SG-CA 3.11Å; C96-C146 WeakPolarHBondContact SG-CB 3.48Å; C96-C146 CovalentContact SG-SG 2.03Å; C96-C146 PolarHBondContact SG-SG 2.84Å
97	K	87.7	Confident	75.5	Confident	135 Å²	135	97.4 Å²	97.4	59%	0.587	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-103.8	-4.4	177.5	-66	-177.1	-178	169.1	0	113.7	D94 S95	D94-K97 HydrophobicContact CB-CB 4.31Å; D94-K97 HydrophobicContact CB-CD 4.05Å; D94-K97 HydrophobicContact CB-CG 4.13Å; D94-K97 PolarHBondContact O-N 3.42Å; D94-K97 WeakPolarHBondContact OD2-CD 3.44Å; D94-K97 WeakPolarHBondContact OD2-CE 3.35Å; D94-K97 IonicContact OD2-NZ 2.63Å; S95-K97 PolarHBondContact O-N 2.98Å
98	L	89.4	Confident	76.5	Confident	34 Å²	34	99.2 Å²	99.2	18%	0.178	52%	0.519	C	S	.	.	S	Bend	trans	-77.6	149.8	175.8	-63.2	170.3	0	0	0	110.5	E93 S95 N132 A133 N134	E93-L98 HydrophobicContact CB-CD2 4.19Å; S95-L98 PolarHBondContact O-N 3.32Å; L98-N132 HydrophobicContact CD1-CB 4.09Å; L98-A133 HydrophobicContact CD1-CB 4.09Å; L98-N134 HydrophobicContact CB-CB 4.07Å; L98-N134 PolarHBondContact O-ND2 3.33Å
99	P	92.2	Very high	78	Confident	89 Å²	89	96.3 Å²	96.3	58%	0.578	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-72.3	159.4	175.2	30.5	-34.8	0	0	0	111.7	E101 N132	P99-E101 PolarHBondContact O-N 3.06Å; P99-N132 PolarHBondContact O-ND2 3.26Å; P99-N132 PolarHBondContact O-OD1 2.81Å
100	A	93.3	Very high	79.9	Confident	37 Å²	37	96.1 Å²	96.1	31%	0.306	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-60.9	130.6	166.9	0	0	0	0	0	110.7	Y113 F124	A100-Y113 HydrophobicContact CB-CD1 3.78Å; A100-Y113 HydrophobicContact CB-CD2 3.63Å; A100-Y113 HydrophobicContact CB-CE1 3.88Å; A100-Y113 HydrophobicContact CB-CE2 3.7Å; A100-Y113 HydrophobicContact CB-CG 3.66Å; A100-F124 HydrophobicContact CB-CB 4.01Å; A100-F124 HydrophobicContact CB-CD1 4.38Å; A100-F124 HydrophobicContact CB-CD2 3.76Å; A100-F124 HydrophobicContact CB-CE2 4.3Å; A100-F124 HydrophobicContact CB-CG 3.8Å
101	E	93.3	Very high	82.5	Confident	87 Å²	87	90 Å²	90	41%	0.407	48%	0.482	S	S	.	.			trans	-129.4	110.9	-178.5	-173.3	174.5	-179.8	0	0	111.7	P99 G103 N132	P99-E101 PolarHBondContact O-N 3.06Å; E101-G103 VanDerWaalsContact C-N 3.33Å; E101-G103 PolarHBondContact O-N 3.46Å; E101-N132 VanDerWaalsContact CB-ND2 3.3Å; E101-N132 WeakPolarHBondContact CB-ND2 3.49Å; E101-N132 WeakPolarHBondContact OE2-CB 3.4Å; E101-N132 PolarHBondContact OE2-N 3.26Å; E101-N132 PolarHBondContact OE2-ND2 2.77Å
102	T	93	Very high	85.1	Confident	71 Å²	71	83.5 Å²	83.5	44%	0.436	45%	0.452	S	S	.	.			trans	-66.7	-33.4	179	-59.8	0	0	0	0	112.2	T125 G127	T102-T125 WeakPolarHBondContact CB-O 3.44Å; T102-T125 WeakPolarHBondContact CG2-O 3.34Å; T102-T125 PolarHBondContact OG1-O 3.1Å; T102-G127 WeakPolarHBondContact O-CA 3.26Å; T102-G127 PolarHBondContact O-N 2.92Å
103	G	86.7	Confident	87.6	Confident	26 Å²	26	77.1 Å²	77.1	27%	0.268	42%	0.42	S	S	.	.			trans	71.2	176.1	-173.6	0	0	0	0	0	113.7	E101 C129 K130	E101-G103 VanDerWaalsContact C-N 3.33Å; E101-G103 PolarHBondContact O-N 3.46Å; G103-C129 WeakPolarHBondContact CA-O 3.21Å; G103-K130 WeakPolarHBondContact CA-O 2.97Å
104	P	87.3	Confident	89.5	Confident	89 Å²	89	71.3 Å²	71.3	58%	0.578	39%	0.392	S	S	*	.	S	Bend	trans	-86.1	-10.7	-170.5	32.9	-33.9	0	0	0	114.9	C129 K130	P104-C129 WeakPolarHBondContact CD-O 2.86Å; P104-K130 HydrophobicContact CG-CB 4.25Å; P104-K130 HydrophobicContact CG-CD 3.94Å; P104-K130 HydrophobicContact CG-CG 4.23Å
105	C	89.6	Confident	90.5	Very high	54 Å²	54	68.3 Å²	68.3	37%	0.365	38%	0.377	S	S	.	.			trans	-73.3	156.5	176.1	-74.3	0	0	0	0	111.4	G127 C129	C105-G127 CarbonylContact C-O 3.51Å; C105-G127 WeakPolarHBondContact CB-O 3.37Å; C105-G127 CarbonylContact O-C 3.54Å; C105-G127 WeakPolarHBondContact O-CA 3.26Å; C105-C129 HydrophobicContact CB-CB 3.83Å; C105-C129 WeakPolarHBondContact CB-SG 2.94Å; C105-C129 PolarHBondContact N-SG 3.02Å; C105-C129 WeakPolarHBondContact SG-CB 3.26Å; C105-C129 CovalentContact SG-SG 2.01Å; C105-C129 PolarHBondContact SG-SG 3.12Å
106	K	87.8	Confident	90.5	Very high	207 Å²	207	74.2 Å²	74.2	90%	0.9	39%	0.393	S	S	*	.			trans	-106.6	12.2	-171.1	-63.8	-174.6	177.1	-178.3	0	114.5	G127	K106-G127 PolarHBondContact N-O 2.74Å
107	A	81.4	Confident	90.2	Very high	44 Å²	44	78.4 Å²	78.4	36%	0.364	41%	0.414	S	S	.	.			trans	-72.6	161.2	170.3	0	0	0	0	0	109.8	F109 G127	A107-F109 HydrophobicContact CB-CD2 3.86Å; A107-F109 HydrophobicContact CB-CE2 3.31Å; A107-F109 HydrophobicContact CB-CZ 3.88Å; A107-G127 WeakPolarHBondContact CA-O 3.42Å; A107-G127 WeakPolarHBondContact CB-O 3.31Å; A107-G127 PolarHBondContact N-O 2Å; A107-G127 CarbonylContact O-C 3.57Å; A107-G127 WeakPolarHBondContact O-CA 3.43Å
108	S	89.4	Confident	90.3	Very high	95 Å²	95	77.8 Å²	77.8	66%	0.664	41%	0.414	S	S	*	.			trans	-124.2	85.5	179.8	-179.7	0	0	0	0	109.5
109	F	90.7	Very high	90	Very high	107 Å²	107	82.5 Å²	82.5	47%	0.469	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.4	174.1	-57.6	-71.8	0	0	0	109.8	A107 R111 Y126	A107-F109 HydrophobicContact CB-CD2 3.86Å; A107-F109 HydrophobicContact CB-CE2 3.31Å; A107-F109 HydrophobicContact CB-CZ 3.88Å; F109-R111 HydrophobicContact CB-CG 4.48Å; F109-R111 PolarHBondContact O-N 3.47Å; F109-Y126 HydrophobicContact CD2-CD1 4.44Å; F109-Y126 PolarHBondContact N-O 2Å; F109-Y126 PolarHBondContact O-N 3.16Å
110	T	93.9	Very high	90	Very high	96 Å²	96	85 Å²	85	59%	0.589	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	120.5	168	-56	0	0	0	0	108.6	P123	T110-P123 HydrophobicContact CG2-CB 4.29Å
111	R	95.6	Very high	90	Very high	55 Å²	55	84.1 Å²	84.1	21%	0.208	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	167.8	176	-68.4	-69.9	-168.1	125	-21.1	108.7	F109 P123 F124 Y126 N135 Y136 E137	F109-R111 HydrophobicContact CB-CG 4.48Å; F109-R111 PolarHBondContact O-N 3.47Å; R111-P123 CarbonylContact O-C 3.56Å; R111-P123 VanDerWaalsContact O-CA 3.27Å; R111-P123 WeakPolarHBondContact O-CA 3.42Å; R111-F124 HydrophobicContact CB-CD1 3.96Å; R111-F124 HydrophobicContact CB-CE1 3.4Å; R111-F124 VanDerWaalsContact CB-CE1 3.4Å; R111-F124 HydrophobicContact CB-CZ 3.87Å; R111-F124 PolarHBondContact N-O 3.24Å; R111-F124 WeakPolarHBondContact O-CD1 3.26Å; R111-F124 PolarHBondContact O-N 2.73Å; R111-Y126 HydrophobicContact CG-CD1 4.32Å; R111-Y126 HydrophobicContact CG-CG 4.34Å; R111-N135 VanDerWaalsContact CB-OD1 3.24Å; R111-N135 WeakPolarHBondContact CB-OD1 3.27Å; R111-N135 WeakPolarHBondContact CD-OD1 3.31Å; R111-N135 WeakPolarHBondContact CG-OD1 3.32Å; R111-N135 PolarHBondContact NH1-OD1 2.63Å; R111-Y136 CarbonylContact C-O 3.1Å; R111-Y136 WeakPolarHBondContact CA-O 3.44Å; R111-Y136 WeakPolarHBondContact CD-O 3.37Å; R111-E137 IonicContact CZ-OE1 2.67Å; R111-E137 IonicContact NH1-OE1 3.93Å; R111-E137 IonicContact NH2-OE1 3.57Å; R111-E137 PolarHBondContact NH2-OE1 3.02Å
112	Y	96.3	Very high	90	Very high	61 Å²	61	81.2 Å²	81.2	24%	0.239	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.1	177.7	-63	-94.5	0	0	0	109.9	A122 P123 Y136 I139	Y112-A122 CarbonylContact C-O 3.53Å; Y112-A122 WeakPolarHBondContact CA-O 3.14Å; Y112-P123 HydrophobicContact CD1-CB 4.23Å; Y112-P123 HydrophobicContact CE1-CB 4.06Å; Y112-Y136 PolarHBondContact N-O 3.05Å; Y112-Y136 VanDerWaalsContact O-CD2 3.32Å; Y112-Y136 WeakPolarHBondContact O-CD2 3.32Å; Y112-Y136 PolarHBondContact O-N 2.87Å; Y112-I139 HydrophobicContact CD1-CB 3.79Å; Y112-I139 HydrophobicContact CD1-CG1 4.16Å; Y112-I139 VanDerWaalsContact CD2-N 3.32Å; Y112-I139 HydrophobicContact CE1-CB 3.75Å; Y112-I139 HydrophobicContact CE1-CD1 4.4Å; Y112-I139 HydrophobicContact CE1-CG1 4.34Å; Y112-I139 HydrophobicContact CG-CB 4.2Å
113	Y	95.1	Very high	90.1	Very high	57 Å²	57	81.8 Å²	81.8	22%	0.224	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.6	175.2	79.2	-71.5	0	0	0	109.4	A100 V115 C121 A122 F124 N134	A100-Y113 HydrophobicContact CB-CD1 3.78Å; A100-Y113 HydrophobicContact CB-CD2 3.63Å; A100-Y113 HydrophobicContact CB-CE1 3.88Å; A100-Y113 HydrophobicContact CB-CE2 3.7Å; A100-Y113 HydrophobicContact CB-CG 3.66Å; Y113-V115 HydrophobicContact CD2-CG2 4.27Å; Y113-V115 HydrophobicContact CE1-CG2 4.23Å; Y113-V115 HydrophobicContact CE2-CG2 3.59Å; Y113-C121 WeakPolarHBondContact O-CA 3.08Å; Y113-A122 HydrophobicContact CD1-CB 4.38Å; Y113-A122 WeakPolarHBondContact CD1-O 3.19Å; Y113-A122 HydrophobicContact CE1-CB 3.82Å; Y113-A122 PolarHBondContact N-O 2.79Å; Y113-A122 PolarHBondContact O-N 2.77Å; Y113-F124 HydrophobicContact CD1-CB 3.87Å; Y113-F124 AromaticContact CD1-CD1 3.68Å; Y113-F124 HydrophobicContact CD1-CD1 3.68Å; Y113-F124 HydrophobicContact CD1-CG 4.01Å; Y113-F124 HydrophobicContact CE1-CB 4Å; Y113-F124 HydrophobicContact CG-CD1 4.16Å; Y113-N134 WeakPolarHBondContact CA-OD1 3.36Å; Y113-N134 WeakPolarHBondContact CB-O 3.42Å; Y113-N134 WeakPolarHBondContact CB-OD1 3.33Å
114	Y	93.7	Very high	90.6	Very high	23 Å²	23	81.6 Å²	81.6	9%	0.09	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123	177.8	-168.2	-108.1	0	0	0	111	C96 W116 K119 N134 C146	C96-Y114 HydrophobicContact CB-CD1 3.91Å; C96-Y114 HydrophobicContact CB-CG 4.38Å; C96-Y114 WeakPolarHBondContact O-CD1 3.45Å; Y114-W116 HydrophobicContact CD1-CB 4.24Å; Y114-W116 HydrophobicContact CE1-CB 4.34Å; Y114-W116 PolarHBondContact O-N 3.42Å; Y114-K119 WeakPolarHBondContact OH-CA 2.86Å; Y114-K119 WeakPolarHBondContact OH-CB 3.47Å; Y114-N134 PolarHBondContact N-ND2 3.3Å; Y114-N134 PolarHBondContact N-OD1 2.98Å; Y114-N134 PolarHBondContact O-ND2 3.49Å; Y114-C146 HydrophobicContact CD1-CB 3.9Å; Y114-C146 HydrophobicContact CD2-CB 3.39Å; Y114-C146 HydrophobicContact CE1-CB 4.4Å; Y114-C146 HydrophobicContact CE2-CB 3.96Å; Y114-C146 WeakPolarHBondContact CE2-O 2.96Å; Y114-C146 HydrophobicContact CG-CB 3.34Å; Y114-C146 PolarHBondContact OH-O 2.86Å
115	V	92.7	Very high	90.9	Very high	13 Å²	13	80.7 Å²	80.7	8%	0.079	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	95	174.2	-175.7	0	0	0	0	107.2	Y113 D117 Q118 K119 K120 A122	Y113-V115 HydrophobicContact CD2-CG2 4.27Å; Y113-V115 HydrophobicContact CE1-CG2 4.23Å; Y113-V115 HydrophobicContact CE2-CG2 3.59Å; V115-D117 VanDerWaalsContact C-N 3.29Å; V115-D117 WeakPolarHBondContact CG1-OD1 2.95Å; V115-D117 PolarHBondContact O-N 2.96Å; V115-Q118 HydrophobicContact CB-CB 4.16Å; V115-Q118 HydrophobicContact CG1-CB 3.76Å; V115-Q118 HydrophobicContact CG1-CG 3.63Å; V115-Q118 CarbonylContact O-C 3.55Å; V115-Q118 PolarHBondContact O-N 2.89Å; V115-Q118 VanDerWaalsContact O-N 3.08Å; V115-K119 PolarHBondContact O-N 2.95Å; V115-K120 WeakPolarHBondContact CB-O 2.99Å; V115-K120 PolarHBondContact N-O 2.02Å; V115-A122 HydrophobicContact CG2-CB 3.74Å
116	W	82.6	Confident	91.1	Very high	162 Å²	162	79.9 Å²	79.9	61%	0.614	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.9	-166.6	74.8	-90.6	0	0	0	114.4	Y114	Y114-W116 HydrophobicContact CD1-CB 4.24Å; Y114-W116 HydrophobicContact CE1-CB 4.34Å; Y114-W116 PolarHBondContact O-N 3.42Å
117	D	83.6	Confident	91.2	Very high	104 Å²	104	70.1 Å²	70.1	56%	0.556	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-31.6	178.4	60.3	-42.9	0	0	0	112.1	V115	V115-D117 VanDerWaalsContact C-N 3.29Å; V115-D117 WeakPolarHBondContact CG1-OD1 2.95Å; V115-D117 PolarHBondContact O-N 2.96Å
118	Q	87.9	Confident	91.5	Very high	123 Å²	123	69.6 Å²	69.6	58%	0.575	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.4	177.4	-61.6	179.2	27.4	0	0	113.4	V115 K120	V115-Q118 HydrophobicContact CB-CB 4.16Å; V115-Q118 HydrophobicContact CG1-CB 3.76Å; V115-Q118 HydrophobicContact CG1-CG 3.63Å; V115-Q118 CarbonylContact O-C 3.55Å; V115-Q118 PolarHBondContact O-N 2.89Å; V115-Q118 VanDerWaalsContact O-N 3.08Å; Q118-K120 PolarHBondContact O-N 3.4Å
119	K	84.6	Confident	91.4	Very high	133 Å²	133	66.7 Å²	66.7	58%	0.578	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	34.5	-174	-60.9	-174.7	176.7	-175.1	0	113.8	Y114 V115 V148	Y114-K119 WeakPolarHBondContact OH-CA 2.86Å; Y114-K119 WeakPolarHBondContact OH-CB 3.47Å; V115-K119 PolarHBondContact O-N 2.95Å; K119-V148 HydrophobicContact CB-CG2 3.88Å; K119-V148 HydrophobicContact CD-CG2 4.03Å; K119-V148 HydrophobicContact CG-CG2 4.45Å
120	K	91.1	Very high	91.1	Very high	142 Å²	142	69.3 Å²	69.3	62%	0.617	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	151	-175.4	-75.5	-178.1	-179.6	-176.8	0	111.2	V115 Q118	V115-K120 WeakPolarHBondContact CB-O 2.99Å; V115-K120 PolarHBondContact N-O 2.02Å; Q118-K120 PolarHBondContact O-N 3.4Å
121	C	93.5	Very high	90.6	Very high	17 Å²	17	66 Å²	66	12%	0.115	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.9	169.2	-68.4	0	0	0	0	110.2	Y113 I139 C142 E143	Y113-C121 WeakPolarHBondContact O-CA 3.08Å; C121-I139 HydrophobicContact CB-CG1 3.97Å; C121-C142 HydrophobicContact CB-CB 3.75Å; C121-C142 WeakPolarHBondContact CB-SG 2.97Å; C121-C142 WeakPolarHBondContact SG-CB 3.45Å; C121-C142 CovalentContact SG-SG 2.02Å; C121-C142 PolarHBondContact SG-SG 3.38Å; C121-E143 HydrophobicContact CB-CG 4.3Å; C121-E143 PolarHBondContact SG-N 3.4Å; C121-E143 VanDerWaalsContact SG-N 3.44Å
122	A	93.8	Very high	90.3	Very high	26 Å²	26	65 Å²	65	22%	0.215	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.1	177.1	0	0	0	0	0	110.3	Y112 Y113 V115	Y112-A122 CarbonylContact C-O 3.53Å; Y112-A122 WeakPolarHBondContact CA-O 3.14Å; Y113-A122 HydrophobicContact CD1-CB 4.38Å; Y113-A122 WeakPolarHBondContact CD1-O 3.19Å; Y113-A122 HydrophobicContact CE1-CB 3.82Å; Y113-A122 PolarHBondContact N-O 2.79Å; Y113-A122 PolarHBondContact O-N 2.77Å; V115-A122 HydrophobicContact CG2-CB 3.74Å
123	P	95.9	Very high	90.1	Very high	84 Å²	84	65 Å²	65	55%	0.545	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	149.2	174.7	31	-34.2	0	0	0	111.6	T110 R111 Y112	T110-P123 HydrophobicContact CG2-CB 4.29Å; R111-P123 CarbonylContact O-C 3.56Å; R111-P123 VanDerWaalsContact O-CA 3.27Å; R111-P123 WeakPolarHBondContact O-CA 3.42Å; Y112-P123 HydrophobicContact CD1-CB 4.23Å; Y112-P123 HydrophobicContact CE1-CB 4.06Å
124	F	95.4	Very high	90	Very high	22 Å²	22	62.3 Å²	62.3	10%	0.096	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	163.2	169.1	80.7	-71.1	0	0	0	111.3	A100 R111 Y113 N135	A100-F124 HydrophobicContact CB-CB 4.01Å; A100-F124 HydrophobicContact CB-CD1 4.38Å; A100-F124 HydrophobicContact CB-CD2 3.76Å; A100-F124 HydrophobicContact CB-CE2 4.3Å; A100-F124 HydrophobicContact CB-CG 3.8Å; R111-F124 HydrophobicContact CB-CD1 3.96Å; R111-F124 HydrophobicContact CB-CE1 3.4Å; R111-F124 VanDerWaalsContact CB-CE1 3.4Å; R111-F124 HydrophobicContact CB-CZ 3.87Å; R111-F124 PolarHBondContact N-O 3.24Å; R111-F124 WeakPolarHBondContact O-CD1 3.26Å; R111-F124 PolarHBondContact O-N 2.73Å; Y113-F124 HydrophobicContact CD1-CB 3.87Å; Y113-F124 AromaticContact CD1-CD1 3.68Å; Y113-F124 HydrophobicContact CD1-CD1 3.68Å; Y113-F124 HydrophobicContact CD1-CG 4.01Å; Y113-F124 HydrophobicContact CE1-CB 4Å; Y113-F124 HydrophobicContact CG-CD1 4.16Å; F124-N135 HydrophobicContact CE1-CB 4.29Å; F124-N135 HydrophobicContact CZ-CB 3.85Å
125	T	94.2	Very high	90.1	Very high	69 Å²	69	62.3 Å²	62.3	42%	0.423	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.2	176	-54.8	0	0	0	0	110.6	T102	T102-T125 WeakPolarHBondContact CB-O 3.44Å; T102-T125 WeakPolarHBondContact CG2-O 3.34Å; T102-T125 PolarHBondContact OG1-O 3.1Å
126	Y	93.1	Very high	90.2	Very high	38 Å²	38	62 Å²	62	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.2	171.8	179.6	-128.8	0	0	0	110.8	F109 R111 G128 C129 N135	F109-Y126 HydrophobicContact CD2-CD1 4.44Å; F109-Y126 PolarHBondContact N-O 2Å; F109-Y126 PolarHBondContact O-N 3.16Å; R111-Y126 HydrophobicContact CG-CD1 4.32Å; R111-Y126 HydrophobicContact CG-CG 4.34Å; Y126-G128 PolarHBondContact O-N 3.16Å; Y126-G128 VanDerWaalsContact O-N 3.17Å; Y126-C129 VanDerWaalsContact OH-CA 3.24Å; Y126-C129 WeakPolarHBondContact OH-CA 3.46Å; Y126-C129 PolarHBondContact OH-N 3.5Å; Y126-N135 WeakPolarHBondContact CD1-ND2 3.22Å; Y126-N135 VanDerWaalsContact CD2-ND2 3.32Å; Y126-N135 WeakPolarHBondContact CD2-ND2 3.45Å; Y126-N135 VanDerWaalsContact CG-ND2 3.25Å
127	G	91.8	Very high	90.6	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.01	33%	0.328	C	S	.	.			trans	-65.2	-13.8	-177.5	0	0	0	0	0	114.6	T102 C105 K106 A107	T102-G127 WeakPolarHBondContact O-CA 3.26Å; T102-G127 PolarHBondContact O-N 2.92Å; C105-G127 CarbonylContact C-O 3.51Å; C105-G127 WeakPolarHBondContact CB-O 3.37Å; C105-G127 CarbonylContact O-C 3.54Å; C105-G127 WeakPolarHBondContact O-CA 3.26Å; K106-G127 PolarHBondContact N-O 2.74Å; A107-G127 WeakPolarHBondContact CA-O 3.42Å; A107-G127 WeakPolarHBondContact CB-O 3.31Å; A107-G127 PolarHBondContact N-O 2Å; A107-G127 CarbonylContact O-C 3.57Å; A107-G127 WeakPolarHBondContact O-CA 3.43Å
128	G	86.6	Confident	91	Very high	33 Å²	33	58 Å²	58	34%	0.34	32%	0.318	S	S	.	.	S	Bend	trans	98.9	-6.2	179.8	0	0	0	0	0	115.3	Y126	Y126-G128 PolarHBondContact O-N 3.16Å; Y126-G128 VanDerWaalsContact O-N 3.17Å
129	C	87.1	Confident	91.2	Very high	34 Å²	34	55.6 Å²	55.6	23%	0.23	31%	0.309	C	S	.	.	S	Bend	trans	-155	158.8	172.6	75.3	0	0	0	0	112.6	G103 P104 C105 Y126 G131	G103-C129 WeakPolarHBondContact CA-O 3.21Å; P104-C129 WeakPolarHBondContact CD-O 2.86Å; C105-C129 HydrophobicContact CB-CB 3.83Å; C105-C129 WeakPolarHBondContact CB-SG 2.94Å; C105-C129 PolarHBondContact N-SG 3.02Å; C105-C129 WeakPolarHBondContact SG-CB 3.26Å; C105-C129 CovalentContact SG-SG 2.01Å; C105-C129 PolarHBondContact SG-SG 3.12Å; Y126-C129 VanDerWaalsContact OH-CA 3.24Å; Y126-C129 WeakPolarHBondContact OH-CA 3.46Å; Y126-C129 PolarHBondContact OH-N 3.5Å; C129-G131 PolarHBondContact O-N 3.41Å
130	K	84.7	Confident	91.4	Very high	162 Å²	162	52.1 Å²	52.1	70%	0.704	30%	0.304	S	S	*	.	S	Bend	trans	46.4	50.3	178.4	-48	-169.2	-178.9	-179	0	114.7	G103 P104	G103-K130 WeakPolarHBondContact CA-O 2.97Å; P104-K130 HydrophobicContact CG-CB 4.25Å; P104-K130 HydrophobicContact CG-CD 3.94Å; P104-K130 HydrophobicContact CG-CG 4.23Å
131	G	83.3	Confident	91.4	Very high	28 Å²	28	47.7 Å²	47.7	29%	0.289	29%	0.286	S	S	.	.			trans	-94.2	173.5	162.1	0	0	0	0	0	111.1	C129	C129-G131 PolarHBondContact O-N 3.41Å
132	N	89.7	Confident	91.4	Very high	33 Å²	33	46.9 Å²	46.9	18%	0.176	28%	0.28	C	S	.	.			trans	-94.1	-175.1	172.7	67.7	51.6	0	0	0	112.6	L98 P99 E101 N134	L98-N132 HydrophobicContact CD1-CB 4.09Å; P99-N132 PolarHBondContact O-ND2 3.26Å; P99-N132 PolarHBondContact O-OD1 2.81Å; E101-N132 VanDerWaalsContact CB-ND2 3.3Å; E101-N132 WeakPolarHBondContact CB-ND2 3.49Å; E101-N132 WeakPolarHBondContact OE2-CB 3.4Å; E101-N132 PolarHBondContact OE2-N 3.26Å; E101-N132 PolarHBondContact OE2-ND2 2.77Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-N134 PolarHBondContact O-N 2.89Å; N132-N134 PolarHBondContact OD1-N 2.86Å
133	A	92.1	Very high	91.2	Very high	61 Å²	61	50.7 Å²	50.7	50%	0.504	29%	0.294	S	S	.	.	S	Bend	trans	-75.2	-9.7	-172.6	0	0	0	0	0	115	L98 N135	L98-A133 HydrophobicContact CD1-CB 4.09Å; A133-N135 PolarHBondContact O-N 2.8Å
134	N	93.2	Very high	90.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.302	C	S	.	.			trans	-83.1	61.8	173.5	-154.2	-4.6	0	0	0	110.8	S95 L98 Y113 Y114 N132 Y136	S95-N134 WeakPolarHBondContact O-CB 2.99Å; S95-N134 VanDerWaalsContact O-CG 3.26Å; L98-N134 HydrophobicContact CB-CB 4.07Å; L98-N134 PolarHBondContact O-ND2 3.33Å; Y113-N134 WeakPolarHBondContact CA-OD1 3.36Å; Y113-N134 WeakPolarHBondContact CB-O 3.42Å; Y113-N134 WeakPolarHBondContact CB-OD1 3.33Å; Y114-N134 PolarHBondContact N-ND2 3.3Å; Y114-N134 PolarHBondContact N-OD1 2.98Å; Y114-N134 PolarHBondContact O-ND2 3.49Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-N134 PolarHBondContact O-N 2.89Å; N132-N134 PolarHBondContact OD1-N 2.86Å; N134-Y136 VanDerWaalsContact OD1-CE2 3.28Å; N134-Y136 WeakPolarHBondContact OD1-CE2 3.38Å
135	N	95.1	Very high	90.5	Very high	24 Å²	24	58.5 Å²	58.5	13%	0.128	32%	0.322	C	S	.	.			trans	-148.8	94.1	-171.7	-179.6	-16.3	0	0	0	109.9	R111 F124 Y126 A133	R111-N135 VanDerWaalsContact CB-OD1 3.24Å; R111-N135 WeakPolarHBondContact CB-OD1 3.27Å; R111-N135 WeakPolarHBondContact CD-OD1 3.31Å; R111-N135 WeakPolarHBondContact CG-OD1 3.32Å; R111-N135 PolarHBondContact NH1-OD1 2.63Å; F124-N135 HydrophobicContact CE1-CB 4.29Å; F124-N135 HydrophobicContact CZ-CB 3.85Å; Y126-N135 WeakPolarHBondContact CD1-ND2 3.22Å; Y126-N135 VanDerWaalsContact CD2-ND2 3.32Å; Y126-N135 WeakPolarHBondContact CD2-ND2 3.45Å; Y126-N135 VanDerWaalsContact CG-ND2 3.25Å; A133-N135 PolarHBondContact O-N 2.8Å
136	Y	94.6	Very high	90.2	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.027	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-106.4	147.5	-176.7	-53	-70.3	0	0	0	111.1	S95 R111 Y112 N134 E141 C142 K145 C146	S95-Y136 PolarHBondContact OG-OH 2.89Å; R111-Y136 CarbonylContact C-O 3.1Å; R111-Y136 WeakPolarHBondContact CA-O 3.44Å; R111-Y136 WeakPolarHBondContact CD-O 3.37Å; Y112-Y136 PolarHBondContact N-O 3.05Å; Y112-Y136 VanDerWaalsContact O-CD2 3.32Å; Y112-Y136 WeakPolarHBondContact O-CD2 3.32Å; Y112-Y136 PolarHBondContact O-N 2.87Å; N134-Y136 VanDerWaalsContact OD1-CE2 3.28Å; N134-Y136 WeakPolarHBondContact OD1-CE2 3.38Å; Y136-E141 HydrophobicContact CD1-CG 4.16Å; Y136-C142 HydrophobicContact CD2-CB 3.4Å; Y136-C142 VanDerWaalsContact CD2-SG 3.56Å; Y136-C142 HydrophobicContact CE2-CB 4.2Å; Y136-C142 HydrophobicContact CG-CB 3.76Å; Y136-K145 HydrophobicContact CD1-CD 3.84Å; Y136-K145 HydrophobicContact CE1-CB 4.03Å; Y136-K145 HydrophobicContact CE1-CD 3.51Å; Y136-K145 HydrophobicContact CE1-CG 4.39Å; Y136-C146 VanDerWaalsContact CZ-SG 3.6Å; Y136-C146 PolarHBondContact OH-SG 2.83Å
137	E	92.5	Very high	89.1	Confident	132 Å²	132	55 Å²	55	62%	0.617	31%	0.308	S	S	*	.	S	Bend	trans	-77.5	-24.8	-176.9	-71.3	-173.1	171.2	0	0	112.9	R111 E141	R111-E137 IonicContact CZ-OE1 2.67Å; R111-E137 IonicContact NH1-OE1 3.93Å; R111-E137 IonicContact NH2-OE1 3.57Å; R111-E137 PolarHBondContact NH2-OE1 3.02Å; E137-E141 PolarHBondContact N-OE2 3.42Å
138	S	91.7	Very high	87.6	Confident	48 Å²	48	59.2 Å²	59.2	34%	0.336	33%	0.334	S	S	.	.	S	Bend	trans	-138.8	157.7	177.8	69.8	0	0	0	0	111.9	A140 E141 C142	S138-A140 PolarHBondContact O-N 3.29Å; S138-E141 PolarHBondContact O-N 2.63Å; S138-E141 WeakPolarHBondContact OG-CB 3.07Å; S138-E141 PolarHBondContact OG-N 3.04Å; S138-C142 PolarHBondContact O-N 3.33Å; S138-C142 VanDerWaalsContact O-N 3.09Å
139	I	91.7	Very high	85.9	Confident	74 Å²	74	65.3 Å²	65.3	38%	0.379	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-36.9	172.8	-165.7	168	0	0	0	111.3	Y112 C121 C142 E143	Y112-I139 HydrophobicContact CD1-CB 3.79Å; Y112-I139 HydrophobicContact CD1-CG1 4.16Å; Y112-I139 VanDerWaalsContact CD2-N 3.32Å; Y112-I139 HydrophobicContact CE1-CB 3.75Å; Y112-I139 HydrophobicContact CE1-CD1 4.4Å; Y112-I139 HydrophobicContact CE1-CG1 4.34Å; Y112-I139 HydrophobicContact CG-CB 4.2Å; C121-I139 HydrophobicContact CB-CG1 3.97Å; I139-C142 PolarHBondContact O-N 2.97Å; I139-E143 HydrophobicContact CG1-CG 4.32Å; I139-E143 WeakPolarHBondContact O-CB 3.26Å; I139-E143 WeakPolarHBondContact O-CG 3.44Å; I139-E143 PolarHBondContact O-N 3.08Å
140	A	87.6	Confident	84.2	Confident	59 Å²	59	69 Å²	69	49%	0.488	36%	0.364	S	S	.	.	H	α-helix	trans	-62.6	-43	177.1	0	0	0	0	0	111.8	S138 E143 E144	S138-A140 PolarHBondContact O-N 3.29Å; A140-E143 PolarHBondContact O-N 3.12Å; A140-E144 VanDerWaalsContact O-CB 3.26Å; A140-E144 WeakPolarHBondContact O-CB 3.49Å; A140-E144 PolarHBondContact O-N 2.92Å
141	E	92.6	Very high	82.4	Confident	49 Å²	49	67.6 Å²	67.6	23%	0.229	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-41.7	175.5	-172.3	-166.2	173.8	0	0	111.4	Y136 E137 S138 K145	Y136-E141 HydrophobicContact CD1-CG 4.16Å; E137-E141 PolarHBondContact N-OE2 3.42Å; S138-E141 PolarHBondContact O-N 2.63Å; S138-E141 WeakPolarHBondContact OG-CB 3.07Å; S138-E141 PolarHBondContact OG-N 3.04Å; E141-K145 HydrophobicContact CG-CD 4.06Å; E141-K145 VanDerWaalsContact O-CB 3.32Å; E141-K145 WeakPolarHBondContact O-CB 3.4Å; E141-K145 WeakPolarHBondContact O-CG 3.37Å; E141-K145 PolarHBondContact O-N 2.79Å; E141-K145 IonicContact OE1-NZ 2.78Å; E141-K145 PolarHBondContact OE1-NZ 2.98Å
142	C	93	Very high	80.9	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.2	-43.4	175.7	178.2	0	0	0	0	111.9	C121 Y136 S138 I139 K145 C146	C121-C142 HydrophobicContact CB-CB 3.75Å; C121-C142 WeakPolarHBondContact CB-SG 2.97Å; C121-C142 WeakPolarHBondContact SG-CB 3.45Å; C121-C142 CovalentContact SG-SG 2.02Å; C121-C142 PolarHBondContact SG-SG 3.38Å; Y136-C142 HydrophobicContact CD2-CB 3.4Å; Y136-C142 VanDerWaalsContact CD2-SG 3.56Å; Y136-C142 HydrophobicContact CE2-CB 4.2Å; Y136-C142 HydrophobicContact CG-CB 3.76Å; S138-C142 PolarHBondContact O-N 3.33Å; S138-C142 VanDerWaalsContact O-N 3.09Å; I139-C142 PolarHBondContact O-N 2.97Å; C142-K145 PolarHBondContact O-N 3.38Å; C142-C146 WeakPolarHBondContact O-CA 3.41Å; C142-C146 WeakPolarHBondContact O-CB 3.31Å; C142-C146 PolarHBondContact O-N 3.31Å
143	E	90.5	Very high	79.4	Confident	107 Å²	107	78.6 Å²	78.6	50%	0.5	40%	0.404	S	S	.	.	H	α-helix	trans	-70.9	-35.8	179	-72.8	-179.6	164	0	0	112.2	C121 I139 A140 G147	C121-E143 HydrophobicContact CB-CG 4.3Å; C121-E143 PolarHBondContact SG-N 3.4Å; C121-E143 VanDerWaalsContact SG-N 3.44Å; I139-E143 HydrophobicContact CG1-CG 4.32Å; I139-E143 WeakPolarHBondContact O-CB 3.26Å; I139-E143 WeakPolarHBondContact O-CG 3.44Å; I139-E143 PolarHBondContact O-N 3.08Å; A140-E143 PolarHBondContact O-N 3.12Å; E143-G147 WeakPolarHBondContact O-CA 3.2Å; E143-G147 PolarHBondContact O-N 2.94Å
144	E	86.7	Confident	78.6	Confident	151 Å²	151	78.4 Å²	78.4	71%	0.706	39%	0.394	S	S	*	.	H	α-helix	trans	-66.1	-42.8	174.5	-171.2	-168.6	158.4	0	0	111.3	A140	A140-E144 VanDerWaalsContact O-CB 3.26Å; A140-E144 WeakPolarHBondContact O-CB 3.49Å; A140-E144 PolarHBondContact O-N 2.92Å
145	K	87.9	Confident	78.2	Confident	119 Å²	119	79.9 Å²	79.9	52%	0.517	40%	0.404	S	S	.	.	H	α-helix	trans	-81.4	-38.5	-176.5	-71.6	-177.9	177.6	173.5	0	113.5	Y136 E141 C142	Y136-K145 HydrophobicContact CD1-CD 3.84Å; Y136-K145 HydrophobicContact CE1-CB 4.03Å; Y136-K145 HydrophobicContact CE1-CD 3.51Å; Y136-K145 HydrophobicContact CE1-CG 4.39Å; E141-K145 HydrophobicContact CG-CD 4.06Å; E141-K145 VanDerWaalsContact O-CB 3.32Å; E141-K145 WeakPolarHBondContact O-CB 3.4Å; E141-K145 WeakPolarHBondContact O-CG 3.37Å; E141-K145 PolarHBondContact O-N 2.79Å; E141-K145 IonicContact OE1-NZ 2.78Å; E141-K145 PolarHBondContact OE1-NZ 2.98Å; C142-K145 PolarHBondContact O-N 3.38Å
146	C	88.6	Confident	78	Confident	12 Å²	12	79.1 Å²	79.1	8%	0.081	40%	0.4	C	S	.	.	H	α-helix	trans	-120.6	-13.8	-173.8	-62.4	0	0	0	0	115	C96 Y114 Y136 C142	C96-C146 VanDerWaalsContact CA-SG 3.6Å; C96-C146 HydrophobicContact CB-CB 3.73Å; C96-C146 WeakPolarHBondContact CB-SG 3.36Å; C96-C146 WeakPolarHBondContact SG-CA 3.11Å; C96-C146 WeakPolarHBondContact SG-CB 3.48Å; C96-C146 CovalentContact SG-SG 2.03Å; C96-C146 PolarHBondContact SG-SG 2.84Å; Y114-C146 HydrophobicContact CD1-CB 3.9Å; Y114-C146 HydrophobicContact CD2-CB 3.39Å; Y114-C146 HydrophobicContact CE1-CB 4.4Å; Y114-C146 HydrophobicContact CE2-CB 3.96Å; Y114-C146 WeakPolarHBondContact CE2-O 2.96Å; Y114-C146 HydrophobicContact CG-CB 3.34Å; Y114-C146 PolarHBondContact OH-O 2.86Å; Y136-C146 VanDerWaalsContact CZ-SG 3.6Å; Y136-C146 PolarHBondContact OH-SG 2.83Å; C142-C146 WeakPolarHBondContact O-CA 3.41Å; C142-C146 WeakPolarHBondContact O-CB 3.31Å; C142-C146 PolarHBondContact O-N 3.31Å
147	G	71	Confident	77.7	Confident	20 Å²	20	85.1 Å²	85.1	21%	0.206	43%	0.428	C	S	.	.	S	Bend	trans	-57.5	157.9	-177.6	0	0	0	0	0	112.3	E143 R149	E143-G147 WeakPolarHBondContact O-CA 3.2Å; E143-G147 PolarHBondContact O-N 2.94Å; G147-R149 VanDerWaalsContact C-N 3.28Å; G147-R149 PolarHBondContact O-N 3.49Å
148	V	59.5	Low	77.6	Confident	90 Å²	90	81.1 Å²	81.1	55%	0.545	41%	0.411	S	S	.	.			trans	-62.6	96	177.8	-167.5	0	0	0	0	107.2	K119 N150	K119-V148 HydrophobicContact CB-CG2 3.88Å; K119-V148 HydrophobicContact CD-CG2 4.03Å; K119-V148 HydrophobicContact CG-CG2 4.45Å; V148-N150 PolarHBondContact O-N 3.21Å
149	R	51.3	Low	77.7	Confident	161 Å²	161	83.2 Å²	83.2	61%	0.608	42%	0.423	S	S	*	.			trans	-55.8	114.6	162.2	-76.6	179.5	171.6	-176.9	0.6	104.7	G147 K151	G147-R149 VanDerWaalsContact C-N 3.28Å; G147-R149 PolarHBondContact O-N 3.49Å; R149-K151 HydrophobicContact CB-CB 3.98Å; R149-K151 HydrophobicContact CB-CD 4.06Å; R149-K151 HydrophobicContact CB-CG 3.84Å; R149-K151 HydrophobicContact CG-CD 4.35Å; R149-K151 PolarHBondContact O-N 3.29Å
150	N	50.5	Low	77.8	Confident	111 Å²	111	81.4 Å²	81.4	59%	0.594	42%	0.419	S	S	*	.			trans	-68.5	34.3	170	-137.4	-3.8	0	0	0	110.3	V148 D152	V148-N150 PolarHBondContact O-N 3.21Å; N150-D152 PolarHBondContact O-N 2.99Å
151	K	47.9	Very low	78.1	Confident	134 Å²	134	82.4 Å²	82.4	58%	0.583	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	5.4	-179.3	-80.7	-171.3	-170.3	-174.2	0	112.5	R149	R149-K151 HydrophobicContact CB-CB 3.98Å; R149-K151 HydrophobicContact CB-CD 4.06Å; R149-K151 HydrophobicContact CB-CG 3.84Å; R149-K151 HydrophobicContact CG-CD 4.35Å; R149-K151 PolarHBondContact O-N 3.29Å
152	D	51.7	Low	78.1	Confident	161 Å²	161	83.3 Å²	83.3	86%	0.861	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.1	179.5	-74	-32.9	0	0	0	113.7	N150	N150-D152 PolarHBondContact O-N 2.99Å
153	K	58.2	Low	77.9	Confident	131 Å²	131	84.4 Å²	84.4	57%	0.57	44%	0.435	S	S	*	.	S	Bend	trans	-94.1	122.3	168.7	-79.2	-171.6	178.9	-177.3	0	109.7	P155	K153-P155 VanDerWaalsContact O-CD 3.23Å; K153-P155 WeakPolarHBondContact O-CD 3.45Å; K153-P155 VanDerWaalsContact O-N 3.13Å
154	N	74.1	Confident	77.7	Confident	57 Å²	57	83 Å²	83	31%	0.305	44%	0.435	S	S	.	.			trans	-56.2	113.7	176.7	-178	3.2	0	0	0	109.7	C156 E157	N154-C156 PolarHBondContact O-N 2.94Å; N154-C156 WeakPolarHBondContact OD1-CB 3.37Å; N154-C156 PolarHBondContact OD1-N 3.47Å; N154-C156 PolarHBondContact OD1-SG 3.38Å; N154-E157 HydrophobicContact CB-CB 4.5Å; N154-E157 HydrophobicContact CB-CG 4.1Å; N154-E157 PolarHBondContact ND2-OE1 2.82Å; N154-E157 VanDerWaalsContact ND2-OE1 3.07Å; N154-E157 PolarHBondContact O-N 2.01Å
155	P	86.3	Confident	77.8	Confident	30 Å²	30	78.4 Å²	78.4	20%	0.195	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-52.3	-33.7	-179.2	-29.3	37.1	0	0	0	112.3	K153 E157 L158 E193 N194 F196	K153-P155 VanDerWaalsContact O-CD 3.23Å; K153-P155 WeakPolarHBondContact O-CD 3.45Å; K153-P155 VanDerWaalsContact O-N 3.13Å; P155-E157 PolarHBondContact O-N 3.47Å; P155-E157 VanDerWaalsContact O-N 3.13Å; P155-L158 WeakPolarHBondContact O-CB 3.28Å; P155-L158 PolarHBondContact O-N 3.25Å; P155-L158 VanDerWaalsContact O-N 3.11Å; P155-E193 HydrophobicContact CB-CB 3.81Å; P155-E193 HydrophobicContact CG-CB 3.99Å; P155-N194 WeakPolarHBondContact O-CB 3.34Å; P155-F196 HydrophobicContact CB-CZ 4.32Å
156	C	90.3	Very high	77.7	Confident	8 Å²	8	82 Å²	82	5%	0.054	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-70.2	-8.3	-177.1	-42.9	0	0	0	0	114.2	N154 Y174 C206	N154-C156 PolarHBondContact O-N 2.94Å; N154-C156 WeakPolarHBondContact OD1-CB 3.37Å; N154-C156 PolarHBondContact OD1-N 3.47Å; N154-C156 PolarHBondContact OD1-SG 3.38Å; C156-Y174 HydrophobicContact CB-CD1 3.99Å; C156-Y174 HydrophobicContact CB-CG 4.22Å; C156-Y174 WeakPolarHBondContact O-CD1 3.14Å; C156-C206 VanDerWaalsContact CA-SG 3.55Å; C156-C206 HydrophobicContact CB-CB 3.58Å; C156-C206 WeakPolarHBondContact CB-SG 3.21Å; C156-C206 WeakPolarHBondContact SG-CA 2.9Å; C156-C206 WeakPolarHBondContact SG-CB 3.49Å; C156-C206 CovalentContact SG-SG 2.02Å; C156-C206 PolarHBondContact SG-SG 2.86Å
157	E	88.2	Confident	76.8	Confident	134 Å²	134	83.6 Å²	83.6	63%	0.626	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-98.5	-8	175.4	-68.5	173	-155	0	0	112.7	N154 P155	N154-E157 HydrophobicContact CB-CB 4.5Å; N154-E157 HydrophobicContact CB-CG 4.1Å; N154-E157 PolarHBondContact ND2-OE1 2.82Å; N154-E157 VanDerWaalsContact ND2-OE1 3.07Å; N154-E157 PolarHBondContact O-N 2.01Å; P155-E157 PolarHBondContact O-N 3.47Å; P155-E157 VanDerWaalsContact O-N 3.13Å
158	L	90.1	Very high	77.6	Confident	48 Å²	48	86.8 Å²	86.8	25%	0.251	47%	0.473	S	S	.	.	S	Bend	trans	-82.8	153.4	178.5	-52.3	171.8	0	0	0	110.5	P155 N192 E193 N194	P155-L158 WeakPolarHBondContact O-CB 3.28Å; P155-L158 PolarHBondContact O-N 3.25Å; P155-L158 VanDerWaalsContact O-N 3.11Å; L158-N192 HydrophobicContact CD1-CB 4.06Å; L158-E193 HydrophobicContact CD1-CB 4.26Å; L158-N194 HydrophobicContact CB-CB 4.06Å; L158-N194 PolarHBondContact O-ND2 3.24Å
159	P	93.3	Very high	78.8	Confident	91 Å²	91	87 Å²	87	59%	0.591	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-75.7	157.7	175.7	31.1	-34.8	0	0	0	112.2	E161 N192	P159-E161 PolarHBondContact O-N 3.06Å; P159-N192 PolarHBondContact O-ND2 3.33Å; P159-N192 PolarHBondContact O-OD1 2.78Å
160	A	93.7	Very high	80.7	Confident	36 Å²	36	84.3 Å²	84.3	30%	0.298	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-62.4	126.9	166	0	0	0	0	0	109.8	Y173 F184	A160-Y173 HydrophobicContact CB-CD1 3.62Å; A160-Y173 HydrophobicContact CB-CD2 3.33Å; A160-Y173 HydrophobicContact CB-CE1 3.86Å; A160-Y173 HydrophobicContact CB-CE2 3.56Å; A160-Y173 HydrophobicContact CB-CG 3.35Å; A160-F184 HydrophobicContact CB-CB 3.94Å; A160-F184 HydrophobicContact CB-CD1 4.24Å; A160-F184 HydrophobicContact CB-CD2 3.7Å; A160-F184 HydrophobicContact CB-CE2 4.26Å; A160-F184 HydrophobicContact CB-CG 3.69Å
161	E	94.5	Very high	82.8	Confident	80 Å²	80	81.7 Å²	81.7	37%	0.374	45%	0.445	S	S	.	.			trans	-129.7	109.6	-174.5	-170.3	-179.1	162.3	0	0	111.5	P159 G163 F184 N192	P159-E161 PolarHBondContact O-N 3.06Å; E161-G163 VanDerWaalsContact C-N 3.28Å; E161-G163 PolarHBondContact O-N 2.83Å; E161-F184 WeakPolarHBondContact O-CE2 3.25Å; E161-N192 VanDerWaalsContact CB-ND2 3.31Å; E161-N192 WeakPolarHBondContact CB-ND2 3.4Å; E161-N192 PolarHBondContact OE2-ND2 2.94Å
162	T	92.9	Very high	85.1	Confident	68 Å²	68	77.4 Å²	77.4	42%	0.417	43%	0.426	S	S	.	.			trans	-63.1	-32.3	-179.5	-60.4	0	0	0	0	112.4	T185 Y186 G187	T162-T185 WeakPolarHBondContact CA-O 3.38Å; T162-T185 VanDerWaalsContact CB-O 3.31Å; T162-T185 WeakPolarHBondContact CB-O 3.48Å; T162-T185 VanDerWaalsContact CG2-O 3.3Å; T162-T185 WeakPolarHBondContact CG2-O 3.35Å; T162-T185 PolarHBondContact OG1-O 2.91Å; T162-Y186 WeakPolarHBondContact O-CD2 2.97Å; T162-G187 VanDerWaalsContact O-CA 3.24Å; T162-G187 WeakPolarHBondContact O-CA 3.39Å; T162-G187 PolarHBondContact O-N 3.37Å
163	G	88.8	Confident	87.2	Confident	24 Å²	24	71.5 Å²	71.5	25%	0.247	39%	0.392	C	S	.	.			trans	72.9	175.4	-172.1	0	0	0	0	0	112.9	E161	E161-G163 VanDerWaalsContact C-N 3.28Å; E161-G163 PolarHBondContact O-N 2.83Å
164	P	85.9	Confident	89	Confident	78 Å²	78	66.5 Å²	66.5	51%	0.506	37%	0.37	S	S	.	.	S	Bend	trans	-86.8	-11.1	-170	33.6	-35.6	0	0	0	114.8	Q190	P164-Q190 VanDerWaalsContact CD-OE1 3.32Å; P164-Q190 HydrophobicContact CG-CB 4.42Å; P164-Q190 HydrophobicContact CG-CG 3.95Å
165	C	88.2	Confident	89.8	Confident	53 Å²	53	64.8 Å²	64.8	36%	0.358	36%	0.361	S	S	.	.			trans	-74.8	154.1	177.8	-74.2	0	0	0	0	111.7	G187 C189	C165-G187 CarbonylContact C-O 3.58Å; C165-G187 WeakPolarHBondContact CB-O 3.4Å; C165-G187 CarbonylContact O-C 3.13Å; C165-G187 WeakPolarHBondContact O-CA 3.42Å; C165-C189 HydrophobicContact CB-CB 3.87Å; C165-C189 WeakPolarHBondContact CB-SG 3.37Å; C165-C189 PolarHBondContact N-SG 3.2Å; C165-C189 VanDerWaalsContact N-SG 3.42Å; C165-C189 WeakPolarHBondContact SG-CB 3.47Å; C165-C189 CovalentContact SG-SG 2.01Å; C165-C189 PolarHBondContact SG-SG 2.91Å
166	M	85.8	Confident	89.8	Confident	195 Å²	195	70.3 Å²	70.3	96%	0.961	38%	0.382	S	S	*	.			trans	-100.9	8.7	-172	-62	-176.5	176.2	0	0	114.2
167	A	71	Confident	89.7	Confident	45 Å²	45	77.7 Å²	77.7	37%	0.372	42%	0.415	S	S	.	.			trans	-75	156	172.8	0	0	0	0	0	110.1	F169 G187	A167-F169 HydrophobicContact CB-CD2 3.98Å; A167-F169 HydrophobicContact CB-CE2 3.4Å; A167-F169 VanDerWaalsContact CB-CE2 3.4Å; A167-F169 HydrophobicContact CB-CZ 3.98Å; A167-G187 WeakPolarHBondContact CA-O 3.38Å; A167-G187 VanDerWaalsContact CB-O 3.31Å; A167-G187 WeakPolarHBondContact CB-O 3.12Å; A167-G187 PolarHBondContact N-O 3.17Å; A167-G187 CarbonylContact O-C 3.53Å; A167-G187 WeakPolarHBondContact O-CA 3.33Å
168	S	87.3	Confident	89.7	Confident	87 Å²	87	74.2 Å²	74.2	61%	0.608	40%	0.403	S	S	*	.			trans	-115.7	88.4	-179.2	177.9	0	0	0	0	109.9	T185	S168-T185 WeakPolarHBondContact OG-CG2 3.4Å
169	F	85.7	Confident	89.6	Confident	95 Å²	95	79.3 Å²	79.3	42%	0.417	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.7	172.2	-58.9	-73.9	0	0	0	109.8	A167 R171 Y186 G188	A167-F169 HydrophobicContact CB-CD2 3.98Å; A167-F169 HydrophobicContact CB-CE2 3.4Å; A167-F169 VanDerWaalsContact CB-CE2 3.4Å; A167-F169 HydrophobicContact CB-CZ 3.98Å; F169-R171 HydrophobicContact CB-CG 4.43Å; F169-R171 PolarHBondContact O-N 3.15Å; F169-Y186 HydrophobicContact CB-CD1 4.37Å; F169-Y186 WeakPolarHBondContact CB-O 3.2Å; F169-Y186 HydrophobicContact CD2-CD1 4.25Å; F169-Y186 WeakPolarHBondContact CD2-O 3Å; F169-Y186 PolarHBondContact N-O 3.49Å; F169-Y186 PolarHBondContact O-N 2.86Å; F169-G188 VanDerWaalsContact CE2-CA 3.47Å
170	I	90.4	Very high	89.4	Confident	104 Å²	104	81.6 Å²	81.6	53%	0.533	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.2	170.3	-55.9	-57.9	0	0	0	108.1	T183	I170-T183 HydrophobicContact CG2-CG2 3.99Å
171	R	95.6	Very high	89.4	Confident	56 Å²	56	80.6 Å²	80.6	21%	0.211	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	164.8	178.7	-65.6	-70	178.9	78.5	1.1	109.2	F169 T183 F184 Y186 N195	F169-R171 HydrophobicContact CB-CG 4.43Å; F169-R171 PolarHBondContact O-N 3.15Å; R171-T183 CarbonylContact O-C 3.59Å; R171-T183 VanDerWaalsContact O-CA 3.24Å; R171-T183 WeakPolarHBondContact O-CA 3.47Å; R171-F184 HydrophobicContact CB-CD1 3.92Å; R171-F184 HydrophobicContact CB-CE1 3.39Å; R171-F184 HydrophobicContact CB-CZ 3.98Å; R171-F184 PolarHBondContact N-O 3.34Å; R171-F184 PolarHBondContact O-N 3.33Å; R171-Y186 HydrophobicContact CG-CD1 4.31Å; R171-Y186 HydrophobicContact CG-CG 4.27Å; R171-N195 VanDerWaalsContact CB-OD1 3.31Å; R171-N195 WeakPolarHBondContact CB-OD1 3.44Å; R171-N195 VanDerWaalsContact CD-OD1 3.29Å; R171-N195 WeakPolarHBondContact CD-OD1 3.42Å; R171-N195 WeakPolarHBondContact CG-OD1 3.25Å; R171-N195 PolarHBondContact NH1-OD1 3.35Å
172	F	96	Very high	89.4	Confident	44 Å²	44	79.6 Å²	79.6	19%	0.193	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.4	174.5	-63.1	-95.1	0	0	0	109.5	E182 T183 F196 L199 C202	F172-E182 CarbonylContact C-O 3.52Å; F172-E182 VanDerWaalsContact CA-O 3.28Å; F172-E182 WeakPolarHBondContact CA-O 3.14Å; F172-T183 HydrophobicContact CD1-CG2 3.84Å; F172-T183 HydrophobicContact CE1-CG2 3.47Å; F172-T183 VanDerWaalsContact CE1-CG2 3.47Å; F172-T183 HydrophobicContact CZ-CG2 3.92Å; F172-F196 HydrophobicContact CB-CB 4.29Å; F172-F196 PolarHBondContact N-O 2.72Å; F172-F196 WeakPolarHBondContact O-CD2 3.45Å; F172-F196 PolarHBondContact O-N 3.33Å; F172-L199 HydrophobicContact CD1-CB 3.92Å; F172-L199 HydrophobicContact CD1-CD1 3.89Å; F172-L199 VanDerWaalsContact CD2-N 3.31Å; F172-L199 HydrophobicContact CE1-CB 3.68Å; F172-L199 HydrophobicContact CE1-CD1 4.12Å; F172-L199 HydrophobicContact CE1-CG 4.39Å; F172-L199 HydrophobicContact CE2-CB 4.41Å; F172-L199 HydrophobicContact CG-CB 4.37Å; F172-L199 HydrophobicContact CZ-CB 3.95Å; F172-C202 HydrophobicContact CB-CB 3.88Å
173	Y	95.6	Very high	89.6	Confident	38 Å²	38	80.5 Å²	80.5	15%	0.149	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	151	170.8	82.7	-71	0	0	0	108.7	A160 N175 C181 E182 F184 N194	A160-Y173 HydrophobicContact CB-CD1 3.62Å; A160-Y173 HydrophobicContact CB-CD2 3.33Å; A160-Y173 HydrophobicContact CB-CE1 3.86Å; A160-Y173 HydrophobicContact CB-CE2 3.56Å; A160-Y173 HydrophobicContact CB-CG 3.35Å; Y173-N175 HydrophobicContact CE2-CB 3.77Å; Y173-N175 PolarHBondContact O-N 2.9Å; Y173-N175 PolarHBondContact OH-ND2 3.27Å; Y173-N175 VanDerWaalsContact OH-ND2 3.16Å; Y173-C181 CarbonylContact O-C 3.5Å; Y173-C181 VanDerWaalsContact O-CA 3.31Å; Y173-C181 WeakPolarHBondContact O-CA 3.41Å; Y173-E182 HydrophobicContact CD1-CB 4.29Å; Y173-E182 VanDerWaalsContact CD1-O 3.29Å; Y173-E182 WeakPolarHBondContact CD1-O 3.45Å; Y173-E182 HydrophobicContact CE1-CB 3.71Å; Y173-E182 PolarHBondContact N-O 2.99Å; Y173-E182 PolarHBondContact O-N 3.44Å; Y173-E182 PolarHBondContact OH-OE2 2.8Å; Y173-F184 HydrophobicContact CD1-CB 3.85Å; Y173-F184 AromaticContact CD1-CD1 3.8Å; Y173-F184 HydrophobicContact CD1-CD1 3.8Å; Y173-F184 HydrophobicContact CD1-CG 4.07Å; Y173-F184 HydrophobicContact CE1-CB 4.09Å; Y173-F184 HydrophobicContact CG-CD1 4.16Å; Y173-N194 WeakPolarHBondContact CA-OD1 3.3Å; Y173-N194 WeakPolarHBondContact CB-O 3.33Å
174	Y	94.5	Very high	89.9	Confident	26 Å²	26	80.4 Å²	80.4	10%	0.102	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	111.5	172	-172.4	-99.8	0	0	0	109.9	C156 K176 K179 N194 C206	C156-Y174 HydrophobicContact CB-CD1 3.99Å; C156-Y174 HydrophobicContact CB-CG 4.22Å; C156-Y174 WeakPolarHBondContact O-CD1 3.14Å; Y174-K176 PolarHBondContact O-N 3.18Å; Y174-K179 WeakPolarHBondContact OH-CA 3.12Å; Y174-N194 PolarHBondContact N-ND2 2.82Å; Y174-N194 PolarHBondContact N-OD1 2.86Å; Y174-N194 PolarHBondContact O-ND2 2.82Å; Y174-C206 HydrophobicContact CD1-CB 4.37Å; Y174-C206 HydrophobicContact CD2-CB 3.44Å; Y174-C206 VanDerWaalsContact CD2-CB 3.44Å; Y174-C206 HydrophobicContact CE2-CB 4.21Å; Y174-C206 HydrophobicContact CG-CB 3.52Å
175	N	92.2	Very high	90.2	Very high	20 Å²	20	79.6 Å²	79.6	11%	0.107	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.2	171.7	-176	-21.9	0	0	0	109.2	Y173 E177 T178 K179 K180 E182	Y173-N175 HydrophobicContact CE2-CB 3.77Å; Y173-N175 PolarHBondContact O-N 2.9Å; Y173-N175 PolarHBondContact OH-ND2 3.27Å; Y173-N175 VanDerWaalsContact OH-ND2 3.16Å; N175-E177 PolarHBondContact O-N 3.19Å; N175-E177 WeakPolarHBondContact OD1-CA 3.37Å; N175-E177 VanDerWaalsContact OD1-CB 3.31Å; N175-E177 WeakPolarHBondContact OD1-CB 3.39Å; N175-E177 PolarHBondContact OD1-N 2.81Å; N175-T178 WeakPolarHBondContact CB-OG1 3.37Å; N175-T178 PolarHBondContact OD1-N 3.17Å; N175-K179 VanDerWaalsContact O-CA 3.3Å; N175-K179 WeakPolarHBondContact O-CA 2.93Å; N175-K179 PolarHBondContact O-N 2.99Å; N175-K180 PolarHBondContact N-O 2.81Å; N175-K180 PolarHBondContact O-N 2.82Å; N175-E182 HydrophobicContact CB-CB 4.48Å; N175-E182 HydrophobicContact CB-CG 4.13Å; N175-E182 WeakPolarHBondContact CB-OE2 3.49Å; N175-E182 PolarHBondContact ND2-OE2 3.48Å
176	K	86.8	Confident	90.5	Very high	147 Å²	147	78.4 Å²	78.4	64%	0.639	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.1	179.5	90.7	-179	-173.2	-173.1	0	113.2	Y174	Y174-K176 PolarHBondContact O-N 3.18Å
177	E	86.6	Confident	90.7	Very high	163 Å²	163	69.1 Å²	69.1	76%	0.762	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-45.7	-176.1	-59	-174.8	169.6	0	0	110.7	N175	N175-E177 PolarHBondContact O-N 3.19Å; N175-E177 WeakPolarHBondContact OD1-CA 3.37Å; N175-E177 VanDerWaalsContact OD1-CB 3.31Å; N175-E177 WeakPolarHBondContact OD1-CB 3.39Å; N175-E177 PolarHBondContact OD1-N 2.81Å
178	T	89.8	Confident	91.3	Very high	60 Å²	60	68.5 Å²	68.5	37%	0.368	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.6	178.8	67.3	0	0	0	0	113	N175 K180 E182	N175-T178 WeakPolarHBondContact CB-OG1 3.37Å; N175-T178 PolarHBondContact OD1-N 3.17Å; T178-K180 PolarHBondContact O-N 2.91Å; T178-E182 WeakPolarHBondContact CB-OE1 3.38Å; T178-E182 WeakPolarHBondContact CG2-OE1 3.49Å; T178-E182 PolarHBondContact OG1-OE1 3.45Å
179	K	86	Confident	91.3	Very high	156 Å²	156	66 Å²	66	68%	0.678	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.8	-174.6	-57.2	-174.8	178.4	-175.9	0	112.8	Y174 N175	Y174-K179 WeakPolarHBondContact OH-CA 3.12Å; N175-K179 VanDerWaalsContact O-CA 3.3Å; N175-K179 WeakPolarHBondContact O-CA 2.93Å; N175-K179 PolarHBondContact O-N 2.99Å
180	K	89.9	Confident	91.3	Very high	138 Å²	138	68.3 Å²	68.3	60%	0.6	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.6	-177.5	-69.4	176	-177.7	180	0	110	N175 T178 E182	N175-K180 PolarHBondContact N-O 2.81Å; N175-K180 PolarHBondContact O-N 2.82Å; T178-K180 PolarHBondContact O-N 2.91Å; K180-E182 HydrophobicContact CB-CG 4.39Å; K180-E182 PolarHBondContact O-N 3.36Å
181	C	93.4	Very high	91.1	Very high	16 Å²	16	64.6 Å²	64.6	11%	0.108	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.1	162.8	-74.1	0	0	0	0	108.8	Y173 L199 C202 E203	Y173-C181 CarbonylContact O-C 3.5Å; Y173-C181 VanDerWaalsContact O-CA 3.31Å; Y173-C181 WeakPolarHBondContact O-CA 3.41Å; C181-L199 HydrophobicContact CB-CD1 3.48Å; C181-L199 VanDerWaalsContact CB-CD1 3.48Å; C181-C202 HydrophobicContact CB-CB 3.73Å; C181-C202 WeakPolarHBondContact CB-SG 3.31Å; C181-C202 WeakPolarHBondContact SG-CB 3.38Å; C181-C202 CovalentContact SG-SG 2.03Å; C181-C202 PolarHBondContact SG-SG 3.4Å; C181-E203 HydrophobicContact CB-CG 4.08Å; C181-E203 PolarHBondContact SG-N 3.34Å
182	E	95.8	Very high	90.8	Very high	59 Å²	59	63.5 Å²	63.5	28%	0.276	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.8	-178.4	-68.6	179.7	178.7	0	0	109.7	F172 Y173 N175 T178 K180	F172-E182 CarbonylContact C-O 3.52Å; F172-E182 VanDerWaalsContact CA-O 3.28Å; F172-E182 WeakPolarHBondContact CA-O 3.14Å; Y173-E182 HydrophobicContact CD1-CB 4.29Å; Y173-E182 VanDerWaalsContact CD1-O 3.29Å; Y173-E182 WeakPolarHBondContact CD1-O 3.45Å; Y173-E182 HydrophobicContact CE1-CB 3.71Å; Y173-E182 PolarHBondContact N-O 2.99Å; Y173-E182 PolarHBondContact O-N 3.44Å; Y173-E182 PolarHBondContact OH-OE2 2.8Å; N175-E182 HydrophobicContact CB-CB 4.48Å; N175-E182 HydrophobicContact CB-CG 4.13Å; N175-E182 WeakPolarHBondContact CB-OE2 3.49Å; N175-E182 PolarHBondContact ND2-OE2 3.48Å; T178-E182 WeakPolarHBondContact CB-OE1 3.38Å; T178-E182 WeakPolarHBondContact CG2-OE1 3.49Å; T178-E182 PolarHBondContact OG1-OE1 3.45Å; K180-E182 HydrophobicContact CB-CG 4.39Å; K180-E182 PolarHBondContact O-N 3.36Å
183	T	95.4	Very high	90.6	Very high	87 Å²	87	66.3 Å²	66.3	53%	0.534	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	146	175.9	52.2	0	0	0	0	111	I170 R171 F172	I170-T183 HydrophobicContact CG2-CG2 3.99Å; R171-T183 CarbonylContact O-C 3.59Å; R171-T183 VanDerWaalsContact O-CA 3.24Å; R171-T183 WeakPolarHBondContact O-CA 3.47Å; F172-T183 HydrophobicContact CD1-CG2 3.84Å; F172-T183 HydrophobicContact CE1-CG2 3.47Å; F172-T183 VanDerWaalsContact CE1-CG2 3.47Å; F172-T183 HydrophobicContact CZ-CG2 3.92Å
184	F	95.2	Very high	90.5	Very high	22 Å²	22	64.5 Å²	64.5	10%	0.096	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	164.7	167.6	82.4	-68.3	0	0	0	110.3	A160 E161 R171 Y173 N195	A160-F184 HydrophobicContact CB-CB 3.94Å; A160-F184 HydrophobicContact CB-CD1 4.24Å; A160-F184 HydrophobicContact CB-CD2 3.7Å; A160-F184 HydrophobicContact CB-CE2 4.26Å; A160-F184 HydrophobicContact CB-CG 3.69Å; E161-F184 WeakPolarHBondContact O-CE2 3.25Å; R171-F184 HydrophobicContact CB-CD1 3.92Å; R171-F184 HydrophobicContact CB-CE1 3.39Å; R171-F184 HydrophobicContact CB-CZ 3.98Å; R171-F184 PolarHBondContact N-O 3.34Å; R171-F184 PolarHBondContact O-N 3.33Å; Y173-F184 HydrophobicContact CD1-CB 3.85Å; Y173-F184 AromaticContact CD1-CD1 3.8Å; Y173-F184 HydrophobicContact CD1-CD1 3.8Å; Y173-F184 HydrophobicContact CD1-CG 4.07Å; Y173-F184 HydrophobicContact CE1-CB 4.09Å; Y173-F184 HydrophobicContact CG-CD1 4.16Å; F184-N195 HydrophobicContact CE1-CB 4.35Å; F184-N195 HydrophobicContact CZ-CB 3.98Å
185	T	92.7	Very high	90.6	Very high	61 Å²	61	64.6 Å²	64.6	37%	0.374	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.1	175.8	-57.7	0	0	0	0	109.7	T162 S168	T162-T185 WeakPolarHBondContact CA-O 3.38Å; T162-T185 VanDerWaalsContact CB-O 3.31Å; T162-T185 WeakPolarHBondContact CB-O 3.48Å; T162-T185 VanDerWaalsContact CG2-O 3.3Å; T162-T185 WeakPolarHBondContact CG2-O 3.35Å; T162-T185 PolarHBondContact OG1-O 2.91Å; S168-T185 WeakPolarHBondContact OG-CG2 3.4Å
186	Y	94	Very high	90.7	Very high	28 Å²	28	63.8 Å²	63.8	11%	0.11	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.7	172.4	176.1	-119.5	0	0	0	110.4	T162 F169 R171 G188 C189 Q190 N195	T162-Y186 WeakPolarHBondContact O-CD2 2.97Å; F169-Y186 HydrophobicContact CB-CD1 4.37Å; F169-Y186 WeakPolarHBondContact CB-O 3.2Å; F169-Y186 HydrophobicContact CD2-CD1 4.25Å; F169-Y186 WeakPolarHBondContact CD2-O 3Å; F169-Y186 PolarHBondContact N-O 3.49Å; F169-Y186 PolarHBondContact O-N 2.86Å; R171-Y186 HydrophobicContact CG-CD1 4.31Å; R171-Y186 HydrophobicContact CG-CG 4.27Å; Y186-G188 VanDerWaalsContact CE1-CA 3.48Å; Y186-G188 PolarHBondContact O-N 3Å; Y186-C189 VanDerWaalsContact OH-C 3.26Å; Y186-C189 VanDerWaalsContact OH-CA 3.23Å; Y186-C189 WeakPolarHBondContact OH-CA 3.19Å; Y186-C189 PolarHBondContact OH-N 2.03Å; Y186-Q190 VanDerWaalsContact CE2-O 3.31Å; Y186-Q190 WeakPolarHBondContact CE2-O 2.92Å; Y186-Q190 PolarHBondContact OH-O 2.67Å; Y186-N195 WeakPolarHBondContact CD2-ND2 3.3Å; Y186-N195 VanDerWaalsContact CE2-ND2 3.35Å; Y186-N195 WeakPolarHBondContact CE2-ND2 3.46Å; Y186-N195 VanDerWaalsContact CG-ND2 3.3Å
187	G	91.2	Very high	90.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.328	C	S	.	.			trans	-63.1	-17.8	-176.4	0	0	0	0	0	114.8	T162 C165 A167	T162-G187 VanDerWaalsContact O-CA 3.24Å; T162-G187 WeakPolarHBondContact O-CA 3.39Å; T162-G187 PolarHBondContact O-N 3.37Å; C165-G187 CarbonylContact C-O 3.58Å; C165-G187 WeakPolarHBondContact CB-O 3.4Å; C165-G187 CarbonylContact O-C 3.13Å; C165-G187 WeakPolarHBondContact O-CA 3.42Å; A167-G187 WeakPolarHBondContact CA-O 3.38Å; A167-G187 VanDerWaalsContact CB-O 3.31Å; A167-G187 WeakPolarHBondContact CB-O 3.12Å; A167-G187 PolarHBondContact N-O 3.17Å; A167-G187 CarbonylContact O-C 3.53Å; A167-G187 WeakPolarHBondContact O-CA 3.33Å
188	G	83.9	Confident	90.9	Very high	31 Å²	31	59 Å²	59	32%	0.32	31%	0.311	S	S	.	.	S	Bend	trans	101.7	-8.9	-179.7	0	0	0	0	0	115.4	F169 Y186	F169-G188 VanDerWaalsContact CE2-CA 3.47Å; Y186-G188 VanDerWaalsContact CE1-CA 3.48Å; Y186-G188 PolarHBondContact O-N 3Å
189	C	85.4	Confident	90.9	Very high	36 Å²	36	59.4 Å²	59.4	24%	0.243	31%	0.311	C	S	.	.	S	Bend	trans	-147.8	158.6	173.6	72	0	0	0	0	112.2	C165 Y186	C165-C189 HydrophobicContact CB-CB 3.87Å; C165-C189 WeakPolarHBondContact CB-SG 3.37Å; C165-C189 PolarHBondContact N-SG 3.2Å; C165-C189 VanDerWaalsContact N-SG 3.42Å; C165-C189 WeakPolarHBondContact SG-CB 3.47Å; C165-C189 CovalentContact SG-SG 2.01Å; C165-C189 PolarHBondContact SG-SG 2.91Å; Y186-C189 VanDerWaalsContact OH-C 3.26Å; Y186-C189 VanDerWaalsContact OH-CA 3.23Å; Y186-C189 WeakPolarHBondContact OH-CA 3.19Å; Y186-C189 PolarHBondContact OH-N 2.03Å
190	Q	86.5	Confident	90.8	Very high	142 Å²	142	59.5 Å²	59.5	66%	0.664	31%	0.314	S	S	*	.	S	Bend	trans	57.3	-137.8	-173.6	-50.9	-174.9	-0.4	0	0	112	P164 Y186	P164-Q190 VanDerWaalsContact CD-OE1 3.32Å; P164-Q190 HydrophobicContact CG-CB 4.42Å; P164-Q190 HydrophobicContact CG-CG 3.95Å; Y186-Q190 VanDerWaalsContact CE2-O 3.31Å; Y186-Q190 WeakPolarHBondContact CE2-O 2.92Å; Y186-Q190 PolarHBondContact OH-O 2.67Å
191	G	85.4	Confident	90.8	Very high	26 Å²	26	56.1 Å²	56.1	27%	0.268	30%	0.3	S	S	.	.			trans	79	-167.2	-172	0	0	0	0	0	112.9
192	N	90.4	Very high	90.7	Very high	33 Å²	33	55.3 Å²	55.3	18%	0.176	30%	0.295	C	S	.	.			trans	-130.9	178.7	-178.6	68.2	55	0	0	0	112.2	L158 P159 E161 N194 N195	L158-N192 HydrophobicContact CD1-CB 4.06Å; P159-N192 PolarHBondContact O-ND2 3.33Å; P159-N192 PolarHBondContact O-OD1 2.78Å; E161-N192 VanDerWaalsContact CB-ND2 3.31Å; E161-N192 WeakPolarHBondContact CB-ND2 3.4Å; E161-N192 PolarHBondContact OE2-ND2 2.94Å; N192-N194 PolarHBondContact O-N 2.76Å; N192-N194 WeakPolarHBondContact OD1-CB 3Å; N192-N194 PolarHBondContact OD1-N 2.93Å; N192-N195 VanDerWaalsContact O-CB 3.31Å; N192-N195 WeakPolarHBondContact O-CB 3.02Å
193	E	91.6	Very high	90.5	Very high	104 Å²	104	56.9 Å²	56.9	49%	0.486	30%	0.302	S	S	.	.	S	Bend	trans	-71	-9.5	-173.3	-63.2	-168.7	166.9	0	0	114.5	P155 L158 N195	P155-E193 HydrophobicContact CB-CB 3.81Å; P155-E193 HydrophobicContact CG-CB 3.99Å; L158-E193 HydrophobicContact CD1-CB 4.26Å; E193-N195 PolarHBondContact O-N 2.83Å
194	N	93.8	Very high	89.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.301	C	S	.	.			trans	-79.4	57	170.4	-155.4	0.9	0	0	0	111	P155 L158 Y173 Y174 N192 F196	P155-N194 WeakPolarHBondContact O-CB 3.34Å; L158-N194 HydrophobicContact CB-CB 4.06Å; L158-N194 PolarHBondContact O-ND2 3.24Å; Y173-N194 WeakPolarHBondContact CA-OD1 3.3Å; Y173-N194 WeakPolarHBondContact CB-O 3.33Å; Y174-N194 PolarHBondContact N-ND2 2.82Å; Y174-N194 PolarHBondContact N-OD1 2.86Å; Y174-N194 PolarHBondContact O-ND2 2.82Å; N192-N194 PolarHBondContact O-N 2.76Å; N192-N194 WeakPolarHBondContact OD1-CB 3Å; N192-N194 PolarHBondContact OD1-N 2.93Å; N194-F196 VanDerWaalsContact OD1-CE2 3.24Å; N194-F196 WeakPolarHBondContact OD1-CE2 3.42Å
195	N	95.5	Very high	89.4	Confident	28 Å²	28	60.2 Å²	60.2	15%	0.15	32%	0.321	C	S	.	.			trans	-148.6	93.1	-172.3	-177.7	-13.1	0	0	0	108.6	R171 F184 Y186 N192 E193	R171-N195 VanDerWaalsContact CB-OD1 3.31Å; R171-N195 WeakPolarHBondContact CB-OD1 3.44Å; R171-N195 VanDerWaalsContact CD-OD1 3.29Å; R171-N195 WeakPolarHBondContact CD-OD1 3.42Å; R171-N195 WeakPolarHBondContact CG-OD1 3.25Å; R171-N195 PolarHBondContact NH1-OD1 3.35Å; F184-N195 HydrophobicContact CE1-CB 4.35Å; F184-N195 HydrophobicContact CZ-CB 3.98Å; Y186-N195 WeakPolarHBondContact CD2-ND2 3.3Å; Y186-N195 VanDerWaalsContact CE2-ND2 3.35Å; Y186-N195 WeakPolarHBondContact CE2-ND2 3.46Å; Y186-N195 VanDerWaalsContact CG-ND2 3.3Å; N192-N195 VanDerWaalsContact O-CB 3.31Å; N192-N195 WeakPolarHBondContact O-CB 3.02Å; E193-N195 PolarHBondContact O-N 2.83Å
196	F	94.7	Very high	89.1	Confident	3 Å²	3	57.5 Å²	57.5	1%	0.013	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-107.2	143.2	-175.7	-51.5	-72.2	0	0	0	110.4	P155 F172 N194 E201 C202 K205 C206	P155-F196 HydrophobicContact CB-CZ 4.32Å; F172-F196 HydrophobicContact CB-CB 4.29Å; F172-F196 PolarHBondContact N-O 2.72Å; F172-F196 WeakPolarHBondContact O-CD2 3.45Å; F172-F196 PolarHBondContact O-N 3.33Å; N194-F196 VanDerWaalsContact OD1-CE2 3.24Å; N194-F196 WeakPolarHBondContact OD1-CE2 3.42Å; F196-E201 HydrophobicContact CB-CB 4.29Å; F196-E201 HydrophobicContact CB-CG 4.46Å; F196-E201 HydrophobicContact CD1-CG 4.04Å; F196-C202 HydrophobicContact CB-CB 3.76Å; F196-C202 VanDerWaalsContact CD2-CA 3.46Å; F196-C202 HydrophobicContact CD2-CB 3.28Å; F196-C202 WeakPolarHBondContact CD2-SG 3.49Å; F196-C202 HydrophobicContact CE2-CB 4.01Å; F196-C202 VanDerWaalsContact CG-CA 3.49Å; F196-C202 HydrophobicContact CG-CB 3.64Å; F196-K205 HydrophobicContact CD1-CD 3.92Å; F196-K205 HydrophobicContact CE1-CB 4.02Å; F196-K205 HydrophobicContact CE1-CD 3.39Å; F196-K205 HydrophobicContact CE1-CG 4.33Å; F196-K205 HydrophobicContact CZ-CB 4.25Å; F196-K205 HydrophobicContact CZ-CD 4.34Å; F196-C206 WeakPolarHBondContact CZ-SG 3.38Å
197	E	89.4	Confident	88	Confident	141 Å²	141	58 Å²	58	66%	0.659	31%	0.312	S	S	*	.	S	Bend	trans	-75.9	-31.6	-177.9	-168.6	170.6	-176	0	0	111.7	E201	E197-E201 PolarHBondContact N-OE2 3.41Å
198	T	88.7	Confident	86.5	Confident	67 Å²	67	60.9 Å²	60.9	41%	0.411	33%	0.327	S	S	.	.	S	Bend	trans	-127.2	155.9	-179.9	71.5	0	0	0	0	111.8	E200 E201 C202	T198-E200 PolarHBondContact O-N 3.18Å; T198-E201 PolarHBondContact O-N 3.06Å; T198-E201 WeakPolarHBondContact OG1-CB 2.92Å; T198-E201 PolarHBondContact OG1-N 2.85Å; T198-C202 PolarHBondContact O-N 2.75Å; T198-C202 VanDerWaalsContact O-N 3.17Å
199	L	90	Very high	84.9	Confident	70 Å²	70	66.9 Å²	66.9	37%	0.366	35%	0.347	S	S	.	.	H	α-helix	trans	-57.4	-42	171.7	179.1	61.3	0	0	0	110.9	F172 C181 E201 C202 E203	F172-L199 HydrophobicContact CD1-CB 3.92Å; F172-L199 HydrophobicContact CD1-CD1 3.89Å; F172-L199 VanDerWaalsContact CD2-N 3.31Å; F172-L199 HydrophobicContact CE1-CB 3.68Å; F172-L199 HydrophobicContact CE1-CD1 4.12Å; F172-L199 HydrophobicContact CE1-CG 4.39Å; F172-L199 HydrophobicContact CE2-CB 4.41Å; F172-L199 HydrophobicContact CG-CB 4.37Å; F172-L199 HydrophobicContact CZ-CB 3.95Å; C181-L199 HydrophobicContact CB-CD1 3.48Å; C181-L199 VanDerWaalsContact CB-CD1 3.48Å; L199-E201 PolarHBondContact O-N 3.43Å; L199-C202 WeakPolarHBondContact O-CB 3.47Å; L199-C202 PolarHBondContact O-N 3.49Å; L199-E203 HydrophobicContact CD1-CG 3.88Å; L199-E203 HydrophobicContact CG-CG 4.17Å; L199-E203 WeakPolarHBondContact O-CB 3.23Å; L199-E203 WeakPolarHBondContact O-CG 3.23Å; L199-E203 PolarHBondContact O-N 3.24Å
200	E	84.6	Confident	83.1	Confident	157 Å²	157	72.8 Å²	72.8	73%	0.734	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-41.2	179.7	-170.9	-179.3	178.8	0	0	112.1	T198 E203 A204	T198-E200 PolarHBondContact O-N 3.18Å; E200-E203 PolarHBondContact O-N 3.24Å; E200-A204 WeakPolarHBondContact O-CB 3.28Å; E200-A204 PolarHBondContact O-N 2.77Å
201	E	88.9	Confident	81	Confident	67 Å²	67	73.1 Å²	73.1	31%	0.313	37%	0.368	S	S	.	.	H	α-helix	trans	-65.9	-43.3	176.2	-170.2	-168	175.5	0	0	111.4	F196 E197 T198 L199 K205	F196-E201 HydrophobicContact CB-CB 4.29Å; F196-E201 HydrophobicContact CB-CG 4.46Å; F196-E201 HydrophobicContact CD1-CG 4.04Å; E197-E201 PolarHBondContact N-OE2 3.41Å; T198-E201 PolarHBondContact O-N 3.06Å; T198-E201 WeakPolarHBondContact OG1-CB 2.92Å; T198-E201 PolarHBondContact OG1-N 2.85Å; L199-E201 PolarHBondContact O-N 3.43Å; E201-K205 HydrophobicContact CG-CD 4.29Å; E201-K205 WeakPolarHBondContact O-CB 3.17Å; E201-K205 PolarHBondContact O-N 2.9Å; E201-K205 IonicContact OE1-NZ 2.67Å; E201-K205 PolarHBondContact OE1-NZ 3.38Å
202	C	92.4	Very high	79.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-61.1	-48	175.3	-177.5	0	0	0	0	111.3	F172 C181 F196 T198 L199 K205 C206	F172-C202 HydrophobicContact CB-CB 3.88Å; C181-C202 HydrophobicContact CB-CB 3.73Å; C181-C202 WeakPolarHBondContact CB-SG 3.31Å; C181-C202 WeakPolarHBondContact SG-CB 3.38Å; C181-C202 CovalentContact SG-SG 2.03Å; C181-C202 PolarHBondContact SG-SG 3.4Å; F196-C202 HydrophobicContact CB-CB 3.76Å; F196-C202 VanDerWaalsContact CD2-CA 3.46Å; F196-C202 HydrophobicContact CD2-CB 3.28Å; F196-C202 WeakPolarHBondContact CD2-SG 3.49Å; F196-C202 HydrophobicContact CE2-CB 4.01Å; F196-C202 VanDerWaalsContact CG-CA 3.49Å; F196-C202 HydrophobicContact CG-CB 3.64Å; T198-C202 PolarHBondContact O-N 2.75Å; T198-C202 VanDerWaalsContact O-N 3.17Å; L199-C202 WeakPolarHBondContact O-CB 3.47Å; L199-C202 PolarHBondContact O-N 3.49Å; C202-K205 PolarHBondContact O-N 2.83Å; C202-C206 WeakPolarHBondContact O-CA 3.01Å; C202-C206 VanDerWaalsContact O-CB 3.23Å; C202-C206 WeakPolarHBondContact O-CB 2.75Å; C202-C206 PolarHBondContact O-N 3.37Å
203	E	89.7	Confident	77.4	Confident	91 Å²	91	85.3 Å²	85.3	43%	0.425	42%	0.417	S	S	.	.	H	α-helix	trans	-68.7	-40.9	-178.5	-69.5	-172.9	154.3	0	0	111.4	C181 L199 E200 K205 S207	C181-E203 HydrophobicContact CB-CG 4.08Å; C181-E203 PolarHBondContact SG-N 3.34Å; L199-E203 HydrophobicContact CD1-CG 3.88Å; L199-E203 HydrophobicContact CG-CG 4.17Å; L199-E203 WeakPolarHBondContact O-CB 3.23Å; L199-E203 WeakPolarHBondContact O-CG 3.23Å; L199-E203 PolarHBondContact O-N 3.24Å; E200-E203 PolarHBondContact O-N 3.24Å; E203-K205 VanDerWaalsContact C-N 3.29Å; E203-K205 PolarHBondContact O-N 3.32Å; E203-S207 VanDerWaalsContact CA-OG 3.28Å; E203-S207 WeakPolarHBondContact CA-OG 3.27Å; E203-S207 WeakPolarHBondContact CB-OG 3.49Å; E203-S207 WeakPolarHBondContact CG-OG 3.48Å; E203-S207 WeakPolarHBondContact O-CA 3.15Å; E203-S207 WeakPolarHBondContact O-CB 3.34Å; E203-S207 PolarHBondContact O-N 3.39Å
204	A	82.8	Confident	76.2	Confident	63 Å²	63	83.5 Å²	83.5	52%	0.521	41%	0.41	S	S	.	.	H	α-helix	trans	-63.2	-33.7	176	0	0	0	0	0	112.8	E200	E200-A204 WeakPolarHBondContact O-CB 3.28Å; E200-A204 PolarHBondContact O-N 2.77Å
205	K	86.4	Confident	75.7	Confident	117 Å²	117	85.4 Å²	85.4	51%	0.509	42%	0.423	S	S	.	.	H	α-helix	trans	-86.6	-35.9	177.6	-76.5	177.6	175.9	168.2	0	113.5	F196 E201 C202 E203	F196-K205 HydrophobicContact CD1-CD 3.92Å; F196-K205 HydrophobicContact CE1-CB 4.02Å; F196-K205 HydrophobicContact CE1-CD 3.39Å; F196-K205 HydrophobicContact CE1-CG 4.33Å; F196-K205 HydrophobicContact CZ-CB 4.25Å; F196-K205 HydrophobicContact CZ-CD 4.34Å; E201-K205 HydrophobicContact CG-CD 4.29Å; E201-K205 WeakPolarHBondContact O-CB 3.17Å; E201-K205 PolarHBondContact O-N 2.9Å; E201-K205 IonicContact OE1-NZ 2.67Å; E201-K205 PolarHBondContact OE1-NZ 3.38Å; C202-K205 PolarHBondContact O-N 2.83Å; E203-K205 VanDerWaalsContact C-N 3.29Å; E203-K205 PolarHBondContact O-N 3.32Å
206	C	86.7	Confident	75.3	Confident	3 Å²	3	84.2 Å²	84.2	2%	0.02	42%	0.417	C	S	.	.	H	α-helix	trans	-117.9	-22.6	-167.8	-62.9	0	0	0	0	116.1	C156 Y174 F196 C202 D208	C156-C206 VanDerWaalsContact CA-SG 3.55Å; C156-C206 HydrophobicContact CB-CB 3.58Å; C156-C206 WeakPolarHBondContact CB-SG 3.21Å; C156-C206 WeakPolarHBondContact SG-CA 2.9Å; C156-C206 WeakPolarHBondContact SG-CB 3.49Å; C156-C206 CovalentContact SG-SG 2.02Å; C156-C206 PolarHBondContact SG-SG 2.86Å; Y174-C206 HydrophobicContact CD1-CB 4.37Å; Y174-C206 HydrophobicContact CD2-CB 3.44Å; Y174-C206 VanDerWaalsContact CD2-CB 3.44Å; Y174-C206 HydrophobicContact CE2-CB 4.21Å; Y174-C206 HydrophobicContact CG-CB 3.52Å; F196-C206 WeakPolarHBondContact CZ-SG 3.38Å; C202-C206 WeakPolarHBondContact O-CA 3.01Å; C202-C206 VanDerWaalsContact O-CB 3.23Å; C202-C206 WeakPolarHBondContact O-CB 2.75Å; C202-C206 PolarHBondContact O-N 3.37Å; C206-D208 PolarHBondContact O-N 2.98Å
207	S	70.7	Confident	74.7	Confident	40 Å²	40	90.8 Å²	90.8	28%	0.28	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-74.2	-2.8	174.7	-61.5	0	0	0	0	112.8	E203 Q209 K210	E203-S207 VanDerWaalsContact CA-OG 3.28Å; E203-S207 WeakPolarHBondContact CA-OG 3.27Å; E203-S207 WeakPolarHBondContact CB-OG 3.49Å; E203-S207 WeakPolarHBondContact CG-OG 3.48Å; E203-S207 WeakPolarHBondContact O-CA 3.15Å; E203-S207 WeakPolarHBondContact O-CB 3.34Å; E203-S207 PolarHBondContact O-N 3.39Å; S207-Q209 PolarHBondContact O-N 2.89Å; S207-K210 PolarHBondContact O-N 2.56Å
208	D	58.2	Low	74.5	Confident	59 Å²	59	86.5 Å²	86.5	32%	0.316	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-77.9	12.1	178.3	-87.8	-23.8	0	0	0	116.1	C206 K210 K211	C206-D208 PolarHBondContact O-N 2.98Å; D208-K210 PolarHBondContact O-N 2.97Å; D208-K211 HydrophobicContact CB-CB 4.29Å; D208-K211 HydrophobicContact CB-CD 4Å; D208-K211 HydrophobicContact CB-CG 4.21Å; D208-K211 WeakPolarHBondContact O-CB 3.41Å; D208-K211 PolarHBondContact O-N 3.27Å; D208-K211 VanDerWaalsContact OD1-CD 3.31Å; D208-K211 WeakPolarHBondContact OD1-CD 3.48Å; D208-K211 WeakPolarHBondContact OD1-CE 3.22Å; D208-K211 VanDerWaalsContact OD1-CG 3.25Å; D208-K211 WeakPolarHBondContact OD1-CG 3.21Å; D208-K211 IonicContact OD1-NZ 3.84Å; D208-K211 VanDerWaalsContact OD2-CD 3.23Å; D208-K211 WeakPolarHBondContact OD2-CD 3.19Å; D208-K211 WeakPolarHBondContact OD2-CE 3.18Å; D208-K211 IonicContact OD2-NZ 2.9Å; D208-K211 PolarHBondContact OD2-NZ 3.33Å
209	Q	50.7	Low	74.4	Confident	158 Å²	158	85.6 Å²	85.6	74%	0.738	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-66	5.4	150.9	-70.5	-95.8	-25.4	0	0	112.1	S207	S207-Q209 PolarHBondContact O-N 2.89Å
210	K	47.1	Very low	74.5	Confident	159 Å²	159	84.8 Å²	84.8	69%	0.691	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-102	5.7	160.6	-72.5	-177.4	-178.1	169	0	115.1	S207 D208 Q212	S207-K210 PolarHBondContact O-N 2.56Å; D208-K210 PolarHBondContact O-N 2.97Å; K210-Q212 VanDerWaalsContact C-N 3.31Å; K210-Q212 PolarHBondContact O-N 3.27Å
211	K	43.6	Very low	74.8	Confident	150 Å²	150	80.4 Å²	80.4	65%	0.652	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	72.7	170.7	-92	179.9	-172.1	162.8	0	112	D208	D208-K211 HydrophobicContact CB-CB 4.29Å; D208-K211 HydrophobicContact CB-CD 4Å; D208-K211 HydrophobicContact CB-CG 4.21Å; D208-K211 WeakPolarHBondContact O-CB 3.41Å; D208-K211 PolarHBondContact O-N 3.27Å; D208-K211 VanDerWaalsContact OD1-CD 3.31Å; D208-K211 WeakPolarHBondContact OD1-CD 3.48Å; D208-K211 WeakPolarHBondContact OD1-CE 3.22Å; D208-K211 VanDerWaalsContact OD1-CG 3.25Å; D208-K211 WeakPolarHBondContact OD1-CG 3.21Å; D208-K211 IonicContact OD1-NZ 3.84Å; D208-K211 VanDerWaalsContact OD2-CD 3.23Å; D208-K211 WeakPolarHBondContact OD2-CD 3.19Å; D208-K211 WeakPolarHBondContact OD2-CE 3.18Å; D208-K211 IonicContact OD2-NZ 2.9Å; D208-K211 PolarHBondContact OD2-NZ 3.33Å
212	Q	46.3	Very low	74.8	Confident	194 Å²	194	80.3 Å²	80.3	91%	0.907	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-167.8	33.8	148.1	-109.4	175.2	47.3	0	0	110.4	K210 N214	K210-Q212 VanDerWaalsContact C-N 3.31Å; K210-Q212 PolarHBondContact O-N 3.27Å; Q212-N214 PolarHBondContact O-N 3.42Å
213	Q	54.1	Low	74.5	Confident	120 Å²	120	81.3 Å²	81.3	56%	0.561	43%	0.426	S	S	*	.			trans	-80.7	112.8	165.1	-69.5	-170.9	14	0	0	107.5	P215	Q213-P215 WeakPolarHBondContact O-CD 3.3Å
214	N	66.4	Low	74.1	Confident	66 Å²	66	80.8 Å²	80.8	35%	0.353	43%	0.43	S	S	.	.			trans	-47.7	115.9	172.6	178.7	-18.7	0	0	0	107.7	Q212 C216 K217	Q212-N214 PolarHBondContact O-N 3.42Å; N214-C216 PolarHBondContact O-N 2.02Å; N214-C216 WeakPolarHBondContact OD1-CB 2.9Å; N214-C216 PolarHBondContact OD1-N 2.03Å; N214-C216 PolarHBondContact OD1-SG 3.39Å; N214-K217 HydrophobicContact CB-CB 4.4Å; N214-K217 HydrophobicContact CB-CD 4.23Å; N214-K217 HydrophobicContact CB-CG 4.13Å; N214-K217 WeakPolarHBondContact O-CA 3.36Å; N214-K217 WeakPolarHBondContact O-CB 3.38Å; N214-K217 PolarHBondContact O-N 3.43Å
215	P	81.9	Confident	74.1	Confident	40 Å²	40	80.5 Å²	80.5	26%	0.26	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-49.4	-36.9	-177.7	-30.3	36	0	0	0	111.8	Q213 K217 M218 A253 N254 F256	Q213-P215 WeakPolarHBondContact O-CD 3.3Å; P215-K217 PolarHBondContact O-N 2.9Å; P215-K217 VanDerWaalsContact O-N 3.16Å; P215-M218 PolarHBondContact O-N 3.35Å; P215-M218 VanDerWaalsContact O-N 3.14Å; P215-A253 HydrophobicContact CB-CB 3.76Å; P215-A253 HydrophobicContact CG-CB 3.9Å; P215-N254 WeakPolarHBondContact O-CB 3.32Å; P215-N254 VanDerWaalsContact O-CG 3.26Å; P215-F256 HydrophobicContact CB-CZ 4.39Å
216	C	87.7	Confident	74	Confident	4 Å²	4	86.4 Å²	86.4	3%	0.027	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-60	-31.9	-179.5	-45.9	0	0	0	0	111.8	N214 M218 Y234 W236 C266	N214-C216 PolarHBondContact O-N 2.02Å; N214-C216 WeakPolarHBondContact OD1-CB 2.9Å; N214-C216 PolarHBondContact OD1-N 2.03Å; N214-C216 PolarHBondContact OD1-SG 3.39Å; C216-M218 VanDerWaalsContact C-N 3.32Å; C216-M218 PolarHBondContact O-N 2.8Å; C216-Y234 HydrophobicContact CB-CD1 3.75Å; C216-Y234 HydrophobicContact CB-CE1 4.45Å; C216-Y234 HydrophobicContact CB-CG 4.17Å; C216-W236 HydrophobicContact CB-CZ2 4.49Å; C216-W236 PolarHBondContact O-NE1 2.88Å; C216-C266 WeakPolarHBondContact CA-SG 3.35Å; C216-C266 HydrophobicContact CB-CB 3.64Å; C216-C266 WeakPolarHBondContact CB-SG 3.44Å; C216-C266 WeakPolarHBondContact SG-CA 3.33Å; C216-C266 WeakPolarHBondContact SG-CB 3.3Å; C216-C266 CovalentContact SG-SG 2.02Å; C216-C266 PolarHBondContact SG-SG 3.1Å
217	K	82.9	Confident	73	Confident	141 Å²	141	88.3 Å²	88.3	61%	0.613	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-76.9	-6.8	-179.3	-71.2	-173.6	177.1	-174	0	115.3	N214 P215 W236	N214-K217 HydrophobicContact CB-CB 4.4Å; N214-K217 HydrophobicContact CB-CD 4.23Å; N214-K217 HydrophobicContact CB-CG 4.13Å; N214-K217 WeakPolarHBondContact O-CA 3.36Å; N214-K217 WeakPolarHBondContact O-CB 3.38Å; N214-K217 PolarHBondContact O-N 3.43Å; P215-K217 PolarHBondContact O-N 2.9Å; P215-K217 VanDerWaalsContact O-N 3.16Å; K217-W236 HydrophobicContact CB-CZ2 4.5Å; K217-W236 HydrophobicContact CD-CZ2 4.08Å; K217-W236 HydrophobicContact CG-CD2 4.39Å; K217-W236 HydrophobicContact CG-CH2 4.2Å; K217-W236 HydrophobicContact CG-CZ2 3.27Å; K217-W236 VanDerWaalsContact N-NE1 3.13Å
218	M	84.2	Confident	73.6	Confident	51 Å²	51	91.9 Å²	91.9	25%	0.251	48%	0.479	S	S	.	.	S	Bend	trans	-89.2	154.9	179.9	-44.2	177.8	83.5	0	0	109.7	P215 C216 N252 A253 N254	P215-M218 PolarHBondContact O-N 3.35Å; P215-M218 VanDerWaalsContact O-N 3.14Å; C216-M218 VanDerWaalsContact C-N 3.32Å; C216-M218 PolarHBondContact O-N 2.8Å; M218-N252 HydrophobicContact CE-CB 3.71Å; M218-N252 HydrophobicContact SD-CB 4.11Å; M218-A253 HydrophobicContact SD-CB 4.11Å; M218-N254 HydrophobicContact CB-CB 4.11Å; M218-N254 PolarHBondContact O-ND2 2.86Å
219	G	86.3	Confident	74.8	Confident	47 Å²	47	93.9 Å²	93.9	49%	0.485	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-75.1	167.3	168.5	0	0	0	0	0	111.3	N252	G219-N252 PolarHBondContact O-ND2 3.17Å; G219-N252 PolarHBondContact O-OD1 2.84Å
220	P	92	Very high	76.5	Confident	54 Å²	54	91.9 Å²	91.9	35%	0.351	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-65.9	137.5	170.3	27.6	-30.4	0	0	0	110.1	Y233 F244	P220-Y233 HydrophobicContact CB-CD1 3.68Å; P220-Y233 HydrophobicContact CB-CD2 3.93Å; P220-Y233 HydrophobicContact CB-CE1 4Å; P220-Y233 HydrophobicContact CB-CE2 4.26Å; P220-Y233 HydrophobicContact CB-CG 3.63Å; P220-Y233 HydrophobicContact CG-CD1 4.05Å; P220-Y233 HydrophobicContact CG-CD2 3.9Å; P220-Y233 HydrophobicContact CG-CE1 3.87Å; P220-Y233 HydrophobicContact CG-CE2 3.73Å; P220-Y233 HydrophobicContact CG-CG 4.05Å; P220-F244 HydrophobicContact CB-CB 4.11Å; P220-F244 HydrophobicContact CB-CD1 4.31Å; P220-F244 HydrophobicContact CB-CD2 3.75Å; P220-F244 HydrophobicContact CB-CE2 4.21Å; P220-F244 HydrophobicContact CB-CG 3.8Å
221	D	90.9	Very high	78.8	Confident	64 Å²	64	87.2 Å²	87.2	34%	0.342	46%	0.457	S	S	.	.			trans	-129.2	106.6	178.1	-175.9	-1.2	0	0	0	110.4	G223 G251 N252	D221-G223 PolarHBondContact O-N 2.82Å; D221-G223 PolarHBondContact OD1-N 2.84Å; D221-G251 WeakPolarHBondContact OD2-CA 3.18Å; D221-N252 HydrophobicContact CB-CB 4.18Å; D221-N252 VanDerWaalsContact CB-ND2 3.25Å; D221-N252 WeakPolarHBondContact CB-ND2 2.84Å
222	P	89.7	Confident	81.3	Confident	65 Å²	65	82 Å²	82	42%	0.422	43%	0.433	S	S	.	.			trans	-63.1	-21.6	177.7	-25.8	36.5	0	0	0	114.9	T245 Y246 G247	P222-T245 WeakPolarHBondContact CB-O 3.24Å; P222-Y246 WeakPolarHBondContact O-CD2 3.33Å; P222-G247 VanDerWaalsContact O-CA 3.28Å; P222-G247 WeakPolarHBondContact O-CA 3.07Å; P222-G247 PolarHBondContact O-N 2.82Å
223	G	86.3	Confident	83.6	Confident	21 Å²	21	74.9 Å²	74.9	22%	0.216	40%	0.398	C	S	.	.			trans	68	177	-168.3	0	0	0	0	0	113.6	D221 C249	D221-G223 PolarHBondContact O-N 2.82Å; D221-G223 PolarHBondContact OD1-N 2.84Å; G223-C249 WeakPolarHBondContact CA-O 3.48Å
224	P	82.1	Confident	85.5	Confident	80 Å²	80	70.3 Å²	70.3	52%	0.519	38%	0.376	S	S	.	.	S	Bend	trans	-85.6	-15.1	-172.9	33	-34	0	0	0	114.2	E250	P224-E250 VanDerWaalsContact CD-CD 3.45Å; P224-E250 VanDerWaalsContact CD-OE2 3.25Å; P224-E250 WeakPolarHBondContact CD-OE2 3.15Å; P224-E250 HydrophobicContact CG-CB 4.36Å; P224-E250 HydrophobicContact CG-CG 3.92Å; P224-E250 WeakPolarHBondContact CG-OE1 3.48Å; P224-E250 WeakPolarHBondContact CG-OE2 3.31Å
225	C	82.9	Confident	86.5	Confident	57 Å²	57	67.5 Å²	67.5	39%	0.385	36%	0.362	S	S	.	.			trans	-72.9	162.6	177.8	-71.9	0	0	0	0	112.3	G247 C249	C225-G247 CarbonylContact C-O 3.55Å; C225-G247 WeakPolarHBondContact CB-O 3.38Å; C225-G247 WeakPolarHBondContact O-CA 3.38Å; C225-C249 HydrophobicContact CB-CB 3.82Å; C225-C249 WeakPolarHBondContact CB-SG 3.32Å; C225-C249 PolarHBondContact N-SG 2.81Å; C225-C249 VanDerWaalsContact N-SG 3.43Å; C225-C249 WeakPolarHBondContact SG-CB 3.32Å; C225-C249 CovalentContact SG-SG 2Å; C225-C249 PolarHBondContact SG-SG 3.38Å
226	R	83	Confident	86.3	Confident	241 Å²	241	71.3 Å²	71.3	91%	0.909	37%	0.371	S	S	*	.			trans	-114.5	11.7	-171.2	-61.8	-177.2	-178.4	167.7	1.6	114.4	G247	R226-G247 PolarHBondContact N-O 2.72Å
227	A	65.8	Low	85.6	Confident	43 Å²	43	78.2 Å²	78.2	36%	0.355	41%	0.408	S	S	.	.			trans	-68.8	152.3	171.5	0	0	0	0	0	110.2	F229 G247	A227-F229 HydrophobicContact CB-CD2 3.7Å; A227-F229 HydrophobicContact CB-CE2 3.34Å; A227-F229 HydrophobicContact CB-CZ 4.19Å; A227-G247 WeakPolarHBondContact CA-O 3.26Å; A227-G247 VanDerWaalsContact CB-O 3.25Å; A227-G247 WeakPolarHBondContact CB-O 3.24Å; A227-G247 PolarHBondContact N-O 2Å; A227-G247 CarbonylContact O-C 3.54Å; A227-G247 VanDerWaalsContact O-CA 3.25Å; A227-G247 WeakPolarHBondContact O-CA 3.49Å
228	V	82.9	Confident	85.7	Confident	116 Å²	116	79.8 Å²	79.8	70%	0.703	41%	0.41	S	S	*	.			trans	-106.2	77.9	-178.4	-175.9	0	0	0	0	108.9	T245	V228-T245 HydrophobicContact CB-CG2 4.44Å; V228-T245 HydrophobicContact CG1-CG2 3.98Å
229	F	83.1	Confident	85.6	Confident	101 Å²	101	84.9 Å²	84.9	44%	0.443	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.9	171.4	-63.5	-74.1	0	0	0	109.9	A227 R231 Y246 G248	A227-F229 HydrophobicContact CB-CD2 3.7Å; A227-F229 HydrophobicContact CB-CE2 3.34Å; A227-F229 HydrophobicContact CB-CZ 4.19Å; F229-R231 HydrophobicContact CB-CG 4.39Å; F229-R231 PolarHBondContact O-N 3Å; F229-Y246 HydrophobicContact CB-CD1 4.28Å; F229-Y246 WeakPolarHBondContact CB-O 3.24Å; F229-Y246 HydrophobicContact CD2-CD1 4.41Å; F229-Y246 PolarHBondContact N-O 2.79Å; F229-Y246 PolarHBondContact O-N 3.1Å; F229-G248 VanDerWaalsContact CD2-CA 3.48Å
230	L	87.8	Confident	85.7	Confident	115 Å²	115	89.1 Å²	89.1	60%	0.602	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	116.4	170.7	-78.6	166.3	0	0	0	109.3
231	R	95.3	Very high	85.7	Confident	61 Å²	61	87.2 Å²	87.2	23%	0.23	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	169.5	178.6	-64.7	-70	-172.8	95.9	-5.2	109.9	F229 K243 F244 Y246 N255 F256	F229-R231 HydrophobicContact CB-CG 4.39Å; F229-R231 PolarHBondContact O-N 3Å; R231-K243 CarbonylContact O-C 3.52Å; R231-K243 VanDerWaalsContact O-CA 3.28Å; R231-K243 WeakPolarHBondContact O-CA 2.95Å; R231-F244 HydrophobicContact CB-CD1 3.98Å; R231-F244 HydrophobicContact CB-CE1 3.43Å; R231-F244 VanDerWaalsContact CB-CE1 3.43Å; R231-F244 HydrophobicContact CB-CZ 3.89Å; R231-F244 PolarHBondContact N-O 3.21Å; R231-F244 PolarHBondContact O-N 3.47Å; R231-Y246 HydrophobicContact CG-CD1 4.22Å; R231-Y246 HydrophobicContact CG-CG 4.2Å; R231-N255 VanDerWaalsContact CB-OD1 3.22Å; R231-N255 WeakPolarHBondContact CB-OD1 3.44Å; R231-N255 VanDerWaalsContact CD-OD1 3.27Å; R231-N255 WeakPolarHBondContact CD-OD1 3.5Å; R231-N255 WeakPolarHBondContact CG-OD1 3.17Å; R231-N255 PolarHBondContact NH1-OD1 3.01Å; R231-F256 CarbonylContact C-O 3.51Å; R231-F256 WeakPolarHBondContact CA-O 3.33Å; R231-F256 WeakPolarHBondContact CD-O 3.24Å
232	Y	95.6	Very high	85.8	Confident	42 Å²	42	85.9 Å²	85.9	17%	0.165	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145	176.5	-64.6	-100.4	0	0	0	110.1	L242 K243 F256 L259	Y232-L242 CarbonylContact C-O 3.37Å; Y232-L242 VanDerWaalsContact CA-O 3.24Å; Y232-L242 WeakPolarHBondContact CA-O 3.41Å; Y232-K243 HydrophobicContact CD1-CG 3.86Å; Y232-K243 HydrophobicContact CE1-CD 4.17Å; Y232-K243 HydrophobicContact CE1-CG 3.43Å; Y232-K243 VanDerWaalsContact CE1-CG 3.43Å; Y232-K243 WeakPolarHBondContact OH-CE 3.01Å; Y232-F256 PolarHBondContact N-O 2.73Å; Y232-F256 WeakPolarHBondContact O-CB 3.12Å; Y232-F256 VanDerWaalsContact O-CD2 3.31Å; Y232-F256 WeakPolarHBondContact O-CD2 3.48Å; Y232-F256 PolarHBondContact O-N 3.37Å; Y232-L259 HydrophobicContact CD1-CB 3.96Å; Y232-L259 HydrophobicContact CD1-CD1 3.83Å; Y232-L259 HydrophobicContact CD1-CG 4.49Å; Y232-L259 VanDerWaalsContact CD2-N 3.28Å; Y232-L259 HydrophobicContact CE1-CB 3.61Å; Y232-L259 HydrophobicContact CE1-CD1 3.94Å; Y232-L259 HydrophobicContact CE1-CG 4.25Å; Y232-L259 HydrophobicContact CE2-CB 4.25Å; Y232-L259 VanDerWaalsContact CE2-N 3.31Å; Y232-L259 HydrophobicContact CG-CB 4.4Å
233	Y	94.5	Very high	86	Confident	43 Å²	43	89 Å²	89	17%	0.169	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.2	171.8	79	-81.8	0	0	0	108.9	P220 C241 L242 F244 N254	P220-Y233 HydrophobicContact CB-CD1 3.68Å; P220-Y233 HydrophobicContact CB-CD2 3.93Å; P220-Y233 HydrophobicContact CB-CE1 4Å; P220-Y233 HydrophobicContact CB-CE2 4.26Å; P220-Y233 HydrophobicContact CB-CG 3.63Å; P220-Y233 HydrophobicContact CG-CD1 4.05Å; P220-Y233 HydrophobicContact CG-CD2 3.9Å; P220-Y233 HydrophobicContact CG-CE1 3.87Å; P220-Y233 HydrophobicContact CG-CE2 3.73Å; P220-Y233 HydrophobicContact CG-CG 4.05Å; Y233-C241 CarbonylContact O-C 3.55Å; Y233-C241 VanDerWaalsContact O-CA 3.31Å; Y233-C241 WeakPolarHBondContact O-CA 2.96Å; Y233-L242 HydrophobicContact CD1-CB 4.17Å; Y233-L242 VanDerWaalsContact CD1-O 3.24Å; Y233-L242 WeakPolarHBondContact CD1-O 3.28Å; Y233-L242 HydrophobicContact CE1-CB 3.61Å; Y233-L242 HydrophobicContact CE1-CD1 4.47Å; Y233-L242 PolarHBondContact N-O 3.37Å; Y233-L242 PolarHBondContact O-N 3.37Å; Y233-F244 HydrophobicContact CD1-CB 3.92Å; Y233-F244 AromaticContact CD1-CD1 3.76Å; Y233-F244 HydrophobicContact CD1-CD1 3.76Å; Y233-F244 HydrophobicContact CD1-CG 4.07Å; Y233-F244 HydrophobicContact CE1-CB 4.16Å; Y233-F244 HydrophobicContact CG-CD1 4.31Å; Y233-N254 WeakPolarHBondContact CA-OD1 3.08Å; Y233-N254 WeakPolarHBondContact CB-O 3.14Å
234	Y	93.3	Very high	86.4	Confident	24 Å²	24	89 Å²	89	9%	0.094	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.4	173	-174.4	-102.2	0	0	0	110.6	C216 W236 K239 N254 C266 V267	C216-Y234 HydrophobicContact CB-CD1 3.75Å; C216-Y234 HydrophobicContact CB-CE1 4.45Å; C216-Y234 HydrophobicContact CB-CG 4.17Å; Y234-W236 HydrophobicContact CD1-CG 4.49Å; Y234-W236 AromaticContact CD1-NE1 3.8Å; Y234-W236 HydrophobicContact CE1-CD2 4.16Å; Y234-W236 AromaticContact CE1-CE2 3.98Å; Y234-W236 HydrophobicContact CE1-CG 4.28Å; Y234-W236 HydrophobicContact CE1-CZ2 4.44Å; Y234-W236 AromaticContact CE1-NE1 3.94Å; Y234-K239 WeakPolarHBondContact OH-CA 3.29Å; Y234-N254 PolarHBondContact N-ND2 2.82Å; Y234-N254 PolarHBondContact N-OD1 3Å; Y234-N254 PolarHBondContact O-ND2 3.36Å; Y234-C266 VanDerWaalsContact CB-CB 3.48Å; Y234-C266 VanDerWaalsContact CB-SG 3.58Å; Y234-C266 HydrophobicContact CD1-CB 4.08Å; Y234-C266 HydrophobicContact CD2-CB 3.43Å; Y234-C266 VanDerWaalsContact CD2-CB 3.43Å; Y234-C266 HydrophobicContact CE2-CB 4.12Å; Y234-C266 HydrophobicContact CG-CB 3.39Å; Y234-V267 HydrophobicContact CD2-CG2 4.31Å; Y234-V267 HydrophobicContact CE2-CG2 3.97Å
235	S	88.8	Confident	86.8	Confident	8 Å²	8	88.5 Å²	88.5	6%	0.056	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.6	171	172.1	0	0	0	0	109.5	D237 W238 K239 K240	S235-D237 VanDerWaalsContact C-N 3.3Å; S235-D237 PolarHBondContact OG-N 2.84Å; S235-W238 PolarHBondContact O-N 3.12Å; S235-W238 PolarHBondContact OG-N 2.87Å; S235-W238 VanDerWaalsContact OG-N 3.16Å; S235-K239 VanDerWaalsContact O-CA 3.29Å; S235-K239 WeakPolarHBondContact O-CA 3.36Å; S235-K239 PolarHBondContact O-N 3.44Å; S235-K240 PolarHBondContact N-O 3.39Å; S235-K240 PolarHBondContact O-N 3.29Å
236	W	76.5	Confident	87.2	Confident	120 Å²	120	87.1 Å²	87.1	46%	0.455	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-38.7	170.3	-83.3	80.2	0	0	0	112.2	C216 K217 Y234 W238 K239	C216-W236 HydrophobicContact CB-CZ2 4.49Å; C216-W236 PolarHBondContact O-NE1 2.88Å; K217-W236 HydrophobicContact CB-CZ2 4.5Å; K217-W236 HydrophobicContact CD-CZ2 4.08Å; K217-W236 HydrophobicContact CG-CD2 4.39Å; K217-W236 HydrophobicContact CG-CH2 4.2Å; K217-W236 HydrophobicContact CG-CZ2 3.27Å; K217-W236 VanDerWaalsContact N-NE1 3.13Å; Y234-W236 HydrophobicContact CD1-CG 4.49Å; Y234-W236 AromaticContact CD1-NE1 3.8Å; Y234-W236 HydrophobicContact CE1-CD2 4.16Å; Y234-W236 AromaticContact CE1-CE2 3.98Å; Y234-W236 HydrophobicContact CE1-CG 4.28Å; Y234-W236 HydrophobicContact CE1-CZ2 4.44Å; Y234-W236 AromaticContact CE1-NE1 3.94Å; W236-W238 VanDerWaalsContact C-N 3.26Å; W236-W238 PolarHBondContact O-N 3.29Å; W236-K239 PolarHBondContact O-N 2.98Å
237	D	74.7	Confident	87.3	Confident	149 Å²	149	75.8 Å²	75.8	80%	0.797	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.9	-179.6	-62.2	-30.7	0	0	0	111.3	S235	S235-D237 VanDerWaalsContact C-N 3.3Å; S235-D237 PolarHBondContact OG-N 2.84Å
238	W	83.3	Confident	88.2	Confident	173 Å²	173	75.3 Å²	75.3	66%	0.655	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-3.2	-175.6	-61.7	1.9	0	0	0	113.4	S235 W236 K240 L242	S235-W238 PolarHBondContact O-N 3.12Å; S235-W238 PolarHBondContact OG-N 2.87Å; S235-W238 VanDerWaalsContact OG-N 3.16Å; W236-W238 VanDerWaalsContact C-N 3.26Å; W236-W238 PolarHBondContact O-N 3.29Å; W238-K240 HydrophobicContact CB-CB 4.37Å; W238-K240 VanDerWaalsContact O-CG 3.3Å; W238-K240 WeakPolarHBondContact O-CG 2.99Å; W238-K240 PolarHBondContact O-N 2.96Å; W238-K240 VanDerWaalsContact O-N 3.16Å; W238-L242 HydrophobicContact CD2-CD1 3.81Å; W238-L242 HydrophobicContact CE3-CD1 3.18Å; W238-L242 HydrophobicContact CE3-CD2 3.58Å; W238-L242 HydrophobicContact CE3-CG 3.99Å; W238-L242 HydrophobicContact CG-CD1 4.43Å; W238-L242 HydrophobicContact CH2-CD1 4.4Å; W238-L242 HydrophobicContact CZ3-CD1 3.52Å; W238-L242 HydrophobicContact CZ3-CD2 3.89Å; W238-L242 HydrophobicContact CZ3-CG 4.35Å
239	K	83.3	Confident	88.1	Confident	158 Å²	158	71.5 Å²	71.5	69%	0.687	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	39.1	-172.7	-59.8	-172.9	179.3	-178.6	0	112.6	Y234 S235 W236	Y234-K239 WeakPolarHBondContact OH-CA 3.29Å; S235-K239 VanDerWaalsContact O-CA 3.29Å; S235-K239 WeakPolarHBondContact O-CA 3.36Å; S235-K239 PolarHBondContact O-N 3.44Å; W236-K239 PolarHBondContact O-N 2.98Å
240	K	87.8	Confident	88.2	Confident	136 Å²	136	73.6 Å²	73.6	59%	0.591	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.4	-172	-77.7	176.1	-175.4	-177	0	110.7	S235 W238 L242	S235-K240 PolarHBondContact N-O 3.39Å; S235-K240 PolarHBondContact O-N 3.29Å; W238-K240 HydrophobicContact CB-CB 4.37Å; W238-K240 VanDerWaalsContact O-CG 3.3Å; W238-K240 WeakPolarHBondContact O-CG 2.99Å; W238-K240 PolarHBondContact O-N 2.96Å; W238-K240 VanDerWaalsContact O-N 3.16Å; K240-L242 HydrophobicContact CB-CD2 4.32Å
241	C	92.7	Very high	87.9	Confident	15 Å²	15	69.5 Å²	69.5	10%	0.101	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.9	167.5	-70.8	0	0	0	0	110.2	Y233 L259 C262 E263	Y233-C241 CarbonylContact O-C 3.55Å; Y233-C241 VanDerWaalsContact O-CA 3.31Å; Y233-C241 WeakPolarHBondContact O-CA 2.96Å; C241-L259 HydrophobicContact CB-CD1 3.5Å; C241-C262 HydrophobicContact CB-CB 3.7Å; C241-C262 WeakPolarHBondContact CB-SG 3.04Å; C241-C262 WeakPolarHBondContact SG-CB 3.14Å; C241-C262 CovalentContact SG-SG 2.02Å; C241-C262 PolarHBondContact SG-SG 3.44Å; C241-E263 HydrophobicContact CB-CG 4.32Å; C241-E263 PolarHBondContact SG-N 2.83Å; C241-E263 VanDerWaalsContact SG-N 3.43Å
242	L	92.5	Very high	87.6	Confident	35 Å²	35	68.3 Å²	68.3	18%	0.183	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.5	-177.8	-56.8	175.3	0	0	0	110	Y232 Y233 W238 K240	Y232-L242 CarbonylContact C-O 3.37Å; Y232-L242 VanDerWaalsContact CA-O 3.24Å; Y232-L242 WeakPolarHBondContact CA-O 3.41Å; Y233-L242 HydrophobicContact CD1-CB 4.17Å; Y233-L242 VanDerWaalsContact CD1-O 3.24Å; Y233-L242 WeakPolarHBondContact CD1-O 3.28Å; Y233-L242 HydrophobicContact CE1-CB 3.61Å; Y233-L242 HydrophobicContact CE1-CD1 4.47Å; Y233-L242 PolarHBondContact N-O 3.37Å; Y233-L242 PolarHBondContact O-N 3.37Å; W238-L242 HydrophobicContact CD2-CD1 3.81Å; W238-L242 HydrophobicContact CE3-CD1 3.18Å; W238-L242 HydrophobicContact CE3-CD2 3.58Å; W238-L242 HydrophobicContact CE3-CG 3.99Å; W238-L242 HydrophobicContact CG-CD1 4.43Å; W238-L242 HydrophobicContact CH2-CD1 4.4Å; W238-L242 HydrophobicContact CZ3-CD1 3.52Å; W238-L242 HydrophobicContact CZ3-CD2 3.89Å; W238-L242 HydrophobicContact CZ3-CG 4.35Å; K240-L242 HydrophobicContact CB-CD2 4.32Å
243	K	94.7	Very high	87.3	Confident	132 Å²	132	68.9 Å²	68.9	57%	0.574	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	146.1	176.9	-61.8	-175.2	-170	-167.3	0	111	R231 Y232	R231-K243 CarbonylContact O-C 3.52Å; R231-K243 VanDerWaalsContact O-CA 3.28Å; R231-K243 WeakPolarHBondContact O-CA 2.95Å; Y232-K243 HydrophobicContact CD1-CG 3.86Å; Y232-K243 HydrophobicContact CE1-CD 4.17Å; Y232-K243 HydrophobicContact CE1-CG 3.43Å; Y232-K243 VanDerWaalsContact CE1-CG 3.43Å; Y232-K243 WeakPolarHBondContact OH-CE 3.01Å
244	F	93.4	Very high	87.2	Confident	20 Å²	20	66.9 Å²	66.9	9%	0.088	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.2	166.7	79.4	-68.4	0	0	0	110.7	P220 R231 Y233 N255	P220-F244 HydrophobicContact CB-CB 4.11Å; P220-F244 HydrophobicContact CB-CD1 4.31Å; P220-F244 HydrophobicContact CB-CD2 3.75Å; P220-F244 HydrophobicContact CB-CE2 4.21Å; P220-F244 HydrophobicContact CB-CG 3.8Å; R231-F244 HydrophobicContact CB-CD1 3.98Å; R231-F244 HydrophobicContact CB-CE1 3.43Å; R231-F244 VanDerWaalsContact CB-CE1 3.43Å; R231-F244 HydrophobicContact CB-CZ 3.89Å; R231-F244 PolarHBondContact N-O 3.21Å; R231-F244 PolarHBondContact O-N 3.47Å; Y233-F244 HydrophobicContact CD1-CB 3.92Å; Y233-F244 AromaticContact CD1-CD1 3.76Å; Y233-F244 HydrophobicContact CD1-CD1 3.76Å; Y233-F244 HydrophobicContact CD1-CG 4.07Å; Y233-F244 HydrophobicContact CE1-CB 4.16Å; Y233-F244 HydrophobicContact CG-CD1 4.31Å; F244-N255 HydrophobicContact CE1-CB 4.4Å; F244-N255 HydrophobicContact CZ-CB 3.86Å
245	T	90.3	Very high	87.2	Confident	70 Å²	70	66.9 Å²	66.9	43%	0.429	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.4	175.6	-57.1	0	0	0	0	109.4	P222 V228	P222-T245 WeakPolarHBondContact CB-O 3.24Å; V228-T245 HydrophobicContact CB-CG2 4.44Å; V228-T245 HydrophobicContact CG1-CG2 3.98Å
246	Y	91.1	Very high	87.5	Confident	28 Å²	28	67 Å²	67	11%	0.11	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.9	172.7	176.2	-122.4	0	0	0	110	P222 F229 R231 G248 C249 E250 N255	P222-Y246 WeakPolarHBondContact O-CD2 3.33Å; F229-Y246 HydrophobicContact CB-CD1 4.28Å; F229-Y246 WeakPolarHBondContact CB-O 3.24Å; F229-Y246 HydrophobicContact CD2-CD1 4.41Å; F229-Y246 PolarHBondContact N-O 2.79Å; F229-Y246 PolarHBondContact O-N 3.1Å; R231-Y246 HydrophobicContact CG-CD1 4.22Å; R231-Y246 HydrophobicContact CG-CG 4.2Å; Y246-G248 PolarHBondContact O-N 3.37Å; Y246-C249 WeakPolarHBondContact CE2-O 3.49Å; Y246-C249 VanDerWaalsContact OH-C 3.26Å; Y246-C249 WeakPolarHBondContact OH-CA 3.44Å; Y246-E250 WeakPolarHBondContact CE2-O 3.4Å; Y246-E250 VanDerWaalsContact CZ-O 3.31Å; Y246-E250 PolarHBondContact OH-O 3.05Å; Y246-N255 WeakPolarHBondContact CD2-ND2 2.96Å; Y246-N255 VanDerWaalsContact CE2-ND2 3.26Å; Y246-N255 WeakPolarHBondContact CE2-ND2 3.03Å; Y246-N255 VanDerWaalsContact CG-ND2 3.28Å
247	G	86.2	Confident	88.2	Confident	3 Å²	3	68.2 Å²	68.2	3%	0.031	35%	0.348	C	S	.	.			trans	-66.2	-13	-175.1	0	0	0	0	0	115.2	P222 C225 R226 A227	P222-G247 VanDerWaalsContact O-CA 3.28Å; P222-G247 WeakPolarHBondContact O-CA 3.07Å; P222-G247 PolarHBondContact O-N 2.82Å; C225-G247 CarbonylContact C-O 3.55Å; C225-G247 WeakPolarHBondContact CB-O 3.38Å; C225-G247 WeakPolarHBondContact O-CA 3.38Å; R226-G247 PolarHBondContact N-O 2.72Å; A227-G247 WeakPolarHBondContact CA-O 3.26Å; A227-G247 VanDerWaalsContact CB-O 3.25Å; A227-G247 WeakPolarHBondContact CB-O 3.24Å; A227-G247 PolarHBondContact N-O 2Å; A227-G247 CarbonylContact O-C 3.54Å; A227-G247 VanDerWaalsContact O-CA 3.25Å; A227-G247 WeakPolarHBondContact O-CA 3.49Å
248	G	83.4	Confident	88.9	Confident	32 Å²	32	63.4 Å²	63.4	33%	0.33	33%	0.326	S	S	.	.	S	Bend	trans	95.5	-3.2	177.7	0	0	0	0	0	115.4	F229 Y246	F229-G248 VanDerWaalsContact CD2-CA 3.48Å; Y246-G248 PolarHBondContact O-N 3.37Å
249	C	82.6	Confident	89.3	Confident	36 Å²	36	58.3 Å²	58.3	24%	0.243	31%	0.311	C	S	.	.	S	Bend	trans	-147.4	161.1	169.5	74	0	0	0	0	110.9	G223 C225 Y246	G223-C249 WeakPolarHBondContact CA-O 3.48Å; C225-C249 HydrophobicContact CB-CB 3.82Å; C225-C249 WeakPolarHBondContact CB-SG 3.32Å; C225-C249 PolarHBondContact N-SG 2.81Å; C225-C249 VanDerWaalsContact N-SG 3.43Å; C225-C249 WeakPolarHBondContact SG-CB 3.32Å; C225-C249 CovalentContact SG-SG 2Å; C225-C249 PolarHBondContact SG-SG 3.38Å; Y246-C249 WeakPolarHBondContact CE2-O 3.49Å; Y246-C249 VanDerWaalsContact OH-C 3.26Å; Y246-C249 WeakPolarHBondContact OH-CA 3.44Å
250	E	85.2	Confident	89.5	Confident	145 Å²	145	53.9 Å²	53.9	68%	0.678	30%	0.304	S	S	*	.	S	Bend	trans	51.1	-139.8	-175	-50.7	-176.4	-171.9	0	0	112.8	P224 Y246	P224-E250 VanDerWaalsContact CD-CD 3.45Å; P224-E250 VanDerWaalsContact CD-OE2 3.25Å; P224-E250 WeakPolarHBondContact CD-OE2 3.15Å; P224-E250 HydrophobicContact CG-CB 4.36Å; P224-E250 HydrophobicContact CG-CG 3.92Å; P224-E250 WeakPolarHBondContact CG-OE1 3.48Å; P224-E250 WeakPolarHBondContact CG-OE2 3.31Å; Y246-E250 WeakPolarHBondContact CE2-O 3.4Å; Y246-E250 VanDerWaalsContact CZ-O 3.31Å; Y246-E250 PolarHBondContact OH-O 3.05Å
251	G	81.7	Confident	89.7	Confident	29 Å²	29	51.5 Å²	51.5	30%	0.299	30%	0.295	S	S	.	.			trans	84.5	-176.3	-174.7	0	0	0	0	0	113.3	D221	D221-G251 WeakPolarHBondContact OD2-CA 3.18Å
252	N	87.5	Confident	89.7	Confident	36 Å²	36	50.8 Å²	50.8	19%	0.193	29%	0.29	C	S	.	.			trans	-114.7	175.9	179.4	73.9	43	0	0	0	112.7	M218 G219 D221 N254 N255	M218-N252 HydrophobicContact CE-CB 3.71Å; M218-N252 HydrophobicContact SD-CB 4.11Å; G219-N252 PolarHBondContact O-ND2 3.17Å; G219-N252 PolarHBondContact O-OD1 2.84Å; D221-N252 HydrophobicContact CB-CB 4.18Å; D221-N252 VanDerWaalsContact CB-ND2 3.25Å; D221-N252 WeakPolarHBondContact CB-ND2 2.84Å; N252-N254 PolarHBondContact O-N 3.4Å; N252-N254 WeakPolarHBondContact OD1-CB 3.5Å; N252-N254 PolarHBondContact OD1-N 2.88Å; N252-N255 VanDerWaalsContact O-CB 3.25Å; N252-N255 WeakPolarHBondContact O-CB 2.97Å
253	A	89.9	Confident	89.6	Confident	55 Å²	55	53.4 Å²	53.4	46%	0.455	30%	0.301	S	S	.	.	S	Bend	trans	-70.4	-12.5	-173.6	0	0	0	0	0	114.6	P215 M218 N255	P215-A253 HydrophobicContact CB-CB 3.76Å; P215-A253 HydrophobicContact CG-CB 3.9Å; M218-A253 HydrophobicContact SD-CB 4.11Å; A253-N255 PolarHBondContact O-N 3.35Å
254	N	92	Very high	89.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.309	C	S	.	.			trans	-78.6	53.8	172.9	-153.4	1.8	0	0	0	111.2	P215 M218 Y233 Y234 N252 F256	P215-N254 WeakPolarHBondContact O-CB 3.32Å; P215-N254 VanDerWaalsContact O-CG 3.26Å; M218-N254 HydrophobicContact CB-CB 4.11Å; M218-N254 PolarHBondContact O-ND2 2.86Å; Y233-N254 WeakPolarHBondContact CA-OD1 3.08Å; Y233-N254 WeakPolarHBondContact CB-O 3.14Å; Y234-N254 PolarHBondContact N-ND2 2.82Å; Y234-N254 PolarHBondContact N-OD1 3Å; Y234-N254 PolarHBondContact O-ND2 3.36Å; N252-N254 PolarHBondContact O-N 3.4Å; N252-N254 WeakPolarHBondContact OD1-CB 3.5Å; N252-N254 PolarHBondContact OD1-N 2.88Å; N254-F256 VanDerWaalsContact OD1-CE2 3.28Å; N254-F256 WeakPolarHBondContact OD1-CE2 3.44Å
255	N	93.9	Very high	88.7	Confident	24 Å²	24	53.8 Å²	53.8	13%	0.128	33%	0.326	C	S	.	.			trans	-141.4	87.9	-171.2	-179.5	-6.1	0	0	0	108.9	R231 F244 Y246 N252 A253	R231-N255 VanDerWaalsContact CB-OD1 3.22Å; R231-N255 WeakPolarHBondContact CB-OD1 3.44Å; R231-N255 VanDerWaalsContact CD-OD1 3.27Å; R231-N255 WeakPolarHBondContact CD-OD1 3.5Å; R231-N255 WeakPolarHBondContact CG-OD1 3.17Å; R231-N255 PolarHBondContact NH1-OD1 3.01Å; F244-N255 HydrophobicContact CE1-CB 4.4Å; F244-N255 HydrophobicContact CZ-CB 3.86Å; Y246-N255 WeakPolarHBondContact CD2-ND2 2.96Å; Y246-N255 VanDerWaalsContact CE2-ND2 3.26Å; Y246-N255 WeakPolarHBondContact CE2-ND2 3.03Å; Y246-N255 VanDerWaalsContact CG-ND2 3.28Å; N252-N255 VanDerWaalsContact O-CB 3.25Å; N252-N255 WeakPolarHBondContact O-CB 2.97Å; A253-N255 PolarHBondContact O-N 3.35Å
256	F	94.5	Very high	88.6	Confident	10 Å²	10	50.8 Å²	50.8	4%	0.044	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-100.2	138.5	-177.4	-56.8	-74.3	0	0	0	111	P215 R231 Y232 N254 S258 Q261 C262 T265 C266	P215-F256 HydrophobicContact CB-CZ 4.39Å; R231-F256 CarbonylContact C-O 3.51Å; R231-F256 WeakPolarHBondContact CA-O 3.33Å; R231-F256 WeakPolarHBondContact CD-O 3.24Å; Y232-F256 PolarHBondContact N-O 2.73Å; Y232-F256 WeakPolarHBondContact O-CB 3.12Å; Y232-F256 VanDerWaalsContact O-CD2 3.31Å; Y232-F256 WeakPolarHBondContact O-CD2 3.48Å; Y232-F256 PolarHBondContact O-N 3.37Å; N254-F256 VanDerWaalsContact OD1-CE2 3.28Å; N254-F256 WeakPolarHBondContact OD1-CE2 3.44Å; F256-S258 VanDerWaalsContact C-N 3.29Å; F256-S258 PolarHBondContact O-N 3.34Å; F256-Q261 HydrophobicContact CB-CB 4.34Å; F256-Q261 HydrophobicContact CB-CG 4.47Å; F256-Q261 HydrophobicContact CD1-CG 3.91Å; F256-C262 HydrophobicContact CB-CB 3.71Å; F256-C262 HydrophobicContact CD1-CB 4.46Å; F256-C262 HydrophobicContact CD2-CB 3.33Å; F256-C262 WeakPolarHBondContact CD2-SG 3.32Å; F256-C262 HydrophobicContact CE2-CB 4.05Å; F256-C262 VanDerWaalsContact CG-CA 3.47Å; F256-C262 HydrophobicContact CG-CB 3.58Å; F256-T265 HydrophobicContact CE1-CG2 3.71Å; F256-T265 HydrophobicContact CZ-CG2 3.88Å; F256-C266 VanDerWaalsContact CE2-SG 3.55Å; F256-C266 WeakPolarHBondContact CZ-SG 3.32Å
257	E	91.6	Very high	88.2	Confident	146 Å²	146	52.5 Å²	52.5	68%	0.682	32%	0.321	S	S	*	.	S	Bend	trans	-70.8	-27.9	-178.8	-169.1	175.1	-170.3	0	0	112.3
258	S	90.4	Very high	87	Confident	48 Å²	48	58.7 Å²	58.7	34%	0.336	35%	0.353	S	S	.	.	S	Bend	trans	-137.4	157.4	178.9	68.3	0	0	0	0	112.6	F256 A260 Q261 C262	F256-S258 VanDerWaalsContact C-N 3.29Å; F256-S258 PolarHBondContact O-N 3.34Å; S258-A260 PolarHBondContact O-N 2.83Å; S258-Q261 PolarHBondContact O-N 3.05Å; S258-Q261 WeakPolarHBondContact OG-CB 3.24Å; S258-Q261 PolarHBondContact OG-N 3.27Å; S258-Q261 VanDerWaalsContact OG-N 3.09Å; S258-C262 PolarHBondContact O-N 2.72Å; S258-C262 VanDerWaalsContact O-N 3.08Å
259	L	90.4	Very high	85.6	Confident	66 Å²	66	66.9 Å²	66.9	35%	0.346	38%	0.38	S	S	.	.	H	α-helix	trans	-55.7	-44.4	171.5	-179.8	59.6	0	0	0	110.5	Y232 C241 Q261 C262 E263	Y232-L259 HydrophobicContact CD1-CB 3.96Å; Y232-L259 HydrophobicContact CD1-CD1 3.83Å; Y232-L259 HydrophobicContact CD1-CG 4.49Å; Y232-L259 VanDerWaalsContact CD2-N 3.28Å; Y232-L259 HydrophobicContact CE1-CB 3.61Å; Y232-L259 HydrophobicContact CE1-CD1 3.94Å; Y232-L259 HydrophobicContact CE1-CG 4.25Å; Y232-L259 HydrophobicContact CE2-CB 4.25Å; Y232-L259 VanDerWaalsContact CE2-N 3.31Å; Y232-L259 HydrophobicContact CG-CB 4.4Å; C241-L259 HydrophobicContact CB-CD1 3.5Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-Q261 PolarHBondContact O-N 3.31Å; L259-C262 PolarHBondContact O-N 2.86Å; L259-E263 HydrophobicContact CD1-CG 4Å; L259-E263 HydrophobicContact CG-CG 4.23Å; L259-E263 WeakPolarHBondContact O-CB 3.12Å; L259-E263 WeakPolarHBondContact O-CG 3.46Å; L259-E263 PolarHBondContact O-N 3.01Å
260	A	87.3	Confident	84	Confident	66 Å²	66	70.6 Å²	70.6	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-60.7	-39.6	179.6	0	0	0	0	0	112.6	S258 A264	S258-A260 PolarHBondContact O-N 2.83Å; A260-A264 WeakPolarHBondContact O-CB 3.14Å; A260-A264 PolarHBondContact O-N 3.2Å
261	Q	91.7	Very high	82.2	Confident	86 Å²	86	73.3 Å²	73.3	40%	0.402	40%	0.401	S	S	.	.	H	α-helix	trans	-67.4	-42.7	176	-170.9	-170.9	17	0	0	111.6	F256 S258 L259 T265	F256-Q261 HydrophobicContact CB-CB 4.34Å; F256-Q261 HydrophobicContact CB-CG 4.47Å; F256-Q261 HydrophobicContact CD1-CG 3.91Å; S258-Q261 PolarHBondContact O-N 3.05Å; S258-Q261 WeakPolarHBondContact OG-CB 3.24Å; S258-Q261 PolarHBondContact OG-N 3.27Å; S258-Q261 VanDerWaalsContact OG-N 3.09Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-Q261 PolarHBondContact O-N 3.31Å; Q261-T265 VanDerWaalsContact O-CB 3.31Å; Q261-T265 WeakPolarHBondContact O-CB 3.44Å; Q261-T265 PolarHBondContact O-N 3.16Å; Q261-T265 PolarHBondContact O-OG1 2.8Å
262	C	92.7	Very high	80.5	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-62.1	-47.2	175.1	-179.3	0	0	0	0	111.4	C241 F256 S258 L259 T265 C266	C241-C262 HydrophobicContact CB-CB 3.7Å; C241-C262 WeakPolarHBondContact CB-SG 3.04Å; C241-C262 WeakPolarHBondContact SG-CB 3.14Å; C241-C262 CovalentContact SG-SG 2.02Å; C241-C262 PolarHBondContact SG-SG 3.44Å; F256-C262 HydrophobicContact CB-CB 3.71Å; F256-C262 HydrophobicContact CD1-CB 4.46Å; F256-C262 HydrophobicContact CD2-CB 3.33Å; F256-C262 WeakPolarHBondContact CD2-SG 3.32Å; F256-C262 HydrophobicContact CE2-CB 4.05Å; F256-C262 VanDerWaalsContact CG-CA 3.47Å; F256-C262 HydrophobicContact CG-CB 3.58Å; S258-C262 PolarHBondContact O-N 2.72Å; S258-C262 VanDerWaalsContact O-N 3.08Å; L259-C262 PolarHBondContact O-N 2.86Å; C262-T265 PolarHBondContact O-N 2.88Å; C262-C266 WeakPolarHBondContact O-CB 3.04Å; C262-C266 PolarHBondContact O-N 3.02Å
263	E	90.5	Very high	78.9	Confident	89 Å²	89	84.9 Å²	84.9	42%	0.416	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-44.9	179.3	-70.2	-179.7	161.2	0	0	111.2	C241 L259 T265 V267	C241-E263 HydrophobicContact CB-CG 4.32Å; C241-E263 PolarHBondContact SG-N 2.83Å; C241-E263 VanDerWaalsContact SG-N 3.43Å; L259-E263 HydrophobicContact CD1-CG 4Å; L259-E263 HydrophobicContact CG-CG 4.23Å; L259-E263 WeakPolarHBondContact O-CB 3.12Å; L259-E263 WeakPolarHBondContact O-CG 3.46Å; L259-E263 PolarHBondContact O-N 3.01Å; E263-T265 PolarHBondContact O-N 3.12Å; E263-V267 HydrophobicContact CB-CB 4.24Å; E263-V267 HydrophobicContact CB-CG2 4.14Å; E263-V267 HydrophobicContact CG-CG2 4.01Å; E263-V267 CarbonylContact O-C 3.46Å; E263-V267 WeakPolarHBondContact O-CA 3.13Å; E263-V267 VanDerWaalsContact O-CB 3.22Å; E263-V267 WeakPolarHBondContact O-CB 3.04Å; E263-V267 PolarHBondContact O-N 2.72Å
264	A	84.7	Confident	77.9	Confident	90 Å²	90	85.5 Å²	85.5	74%	0.744	44%	0.444	S	S	*	.	H	α-helix	trans	-62.9	-30.2	176.8	0	0	0	0	0	113.3	A260	A260-A264 WeakPolarHBondContact O-CB 3.14Å; A260-A264 PolarHBondContact O-N 3.2Å
265	T	86.3	Confident	77.5	Confident	70 Å²	70	85.9 Å²	85.9	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-89.3	-38.1	-178	-51.3	0	0	0	0	112.9	F256 Q261 C262 E263	F256-T265 HydrophobicContact CE1-CG2 3.71Å; F256-T265 HydrophobicContact CZ-CG2 3.88Å; Q261-T265 VanDerWaalsContact O-CB 3.31Å; Q261-T265 WeakPolarHBondContact O-CB 3.44Å; Q261-T265 PolarHBondContact O-N 3.16Å; Q261-T265 PolarHBondContact O-OG1 2.8Å; C262-T265 PolarHBondContact O-N 2.88Å; E263-T265 PolarHBondContact O-N 3.12Å
266	C	88.3	Confident	77.4	Confident	7 Å²	7	85 Å²	85	5%	0.047	44%	0.442	C	S	.	.	H	α-helix	trans	-118.7	-23.3	-168.1	-65	0	0	0	0	115.4	C216 Y234 F256 C262 D268	C216-C266 WeakPolarHBondContact CA-SG 3.35Å; C216-C266 HydrophobicContact CB-CB 3.64Å; C216-C266 WeakPolarHBondContact CB-SG 3.44Å; C216-C266 WeakPolarHBondContact SG-CA 3.33Å; C216-C266 WeakPolarHBondContact SG-CB 3.3Å; C216-C266 CovalentContact SG-SG 2.02Å; C216-C266 PolarHBondContact SG-SG 3.1Å; Y234-C266 VanDerWaalsContact CB-CB 3.48Å; Y234-C266 VanDerWaalsContact CB-SG 3.58Å; Y234-C266 HydrophobicContact CD1-CB 4.08Å; Y234-C266 HydrophobicContact CD2-CB 3.43Å; Y234-C266 VanDerWaalsContact CD2-CB 3.43Å; Y234-C266 HydrophobicContact CE2-CB 4.12Å; Y234-C266 HydrophobicContact CG-CB 3.39Å; F256-C266 VanDerWaalsContact CE2-SG 3.55Å; F256-C266 WeakPolarHBondContact CZ-SG 3.32Å; C262-C266 WeakPolarHBondContact O-CB 3.04Å; C262-C266 PolarHBondContact O-N 3.02Å; C266-D268 VanDerWaalsContact C-N 3.28Å; C266-D268 PolarHBondContact O-N 2.9Å; C266-D268 VanDerWaalsContact O-N 3.09Å
267	V	81.4	Confident	77.1	Confident	65 Å²	65	89.9 Å²	89.9	39%	0.394	47%	0.465	S	S	.	.	S	Bend	trans	-86.2	83.9	173.2	-179	0	0	0	0	106.7	Y234 E263 K269	Y234-V267 HydrophobicContact CD2-CG2 4.31Å; Y234-V267 HydrophobicContact CE2-CG2 3.97Å; E263-V267 HydrophobicContact CB-CB 4.24Å; E263-V267 HydrophobicContact CB-CG2 4.14Å; E263-V267 HydrophobicContact CG-CG2 4.01Å; E263-V267 CarbonylContact O-C 3.46Å; E263-V267 WeakPolarHBondContact O-CA 3.13Å; E263-V267 VanDerWaalsContact O-CB 3.22Å; E263-V267 WeakPolarHBondContact O-CB 3.04Å; E263-V267 PolarHBondContact O-N 2.72Å; V267-K269 PolarHBondContact O-N 3.17Å
268	D	61.6	Low	76.9	Confident	132 Å²	132	85.5 Å²	85.5	71%	0.706	45%	0.445	S	S	*	.			trans	-53.4	113.3	179.1	-100.4	-39.6	0	0	0	110.6	C266 K270	C266-D268 VanDerWaalsContact C-N 3.28Å; C266-D268 PolarHBondContact O-N 2.9Å; C266-D268 VanDerWaalsContact O-N 3.09Å; D268-K270 PolarHBondContact O-N 3.43Å
269	K	53.5	Low	77	Confident	205 Å²	205	87.5 Å²	87.5	89%	0.891	46%	0.457	S	S	*	.			trans	-66.2	83.3	153.9	-71.9	-173.4	-180	179.8	0	107.3	V267 K271	V267-K269 PolarHBondContact O-N 3.17Å; K269-K271 PolarHBondContact O-N 2.98Å
270	K	48.2	Very low	77.2	Confident	114 Å²	114	86 Å²	86	50%	0.496	45%	0.454	S	S	.	.			trans	6.8	85.1	169.9	-67.5	-169	177.4	-160	0	114.2	D268 K272 E313	D268-K270 PolarHBondContact O-N 3.43Å; K270-K272 PolarHBondContact O-N 3.3Å; K270-E313 WeakPolarHBondContact CE-OE1 3.14Å; K270-E313 IonicContact NZ-OE1 3.88Å; K270-E313 PolarHBondContact NZ-OE1 2.93Å; K270-E313 IonicContact NZ-OE2 2.7Å; K270-E313 PolarHBondContact NZ-OE2 2.83Å
271	K	47.6	Very low	77.4	Confident	201 Å²	201	86.7 Å²	86.7	87%	0.874	45%	0.446	S	S	*	.			trans	-87	68	146.6	-86.7	-177.7	173.5	177.5	0	106.4	K269	K269-K271 PolarHBondContact O-N 2.98Å
272	K	47.6	Very low	77.4	Confident	178 Å²	178	85.8 Å²	85.8	77%	0.774	45%	0.448	S	S	*	.				65	63.9	97.8	-94.6	-173	179	178	0	113.4	K270	K270-K272 PolarHBondContact O-N 3.3Å
273	D	53.9	Low	77.1	Confident	130 Å²	130	87 Å²	87	70%	0.695	46%	0.46	S	S	*	.			trans	-65.1	135.1	135.3	-74.9	-34.5	0	0	0	107.3	P275	D273-P275 WeakPolarHBondContact O-CD 3.23Å
274	N	68.9	Low	76.8	Confident	69 Å²	69	86.7 Å²	86.7	37%	0.369	47%	0.466	S	S	.	.			trans	-64.9	112.9	179.3	-178.7	7.6	0	0	0	108.2	C276 E277	N274-C276 PolarHBondContact O-N 3Å; N274-C276 VanDerWaalsContact O-N 3.1Å; N274-C276 WeakPolarHBondContact OD1-CB 3.02Å; N274-C276 PolarHBondContact OD1-N 2.75Å; N274-C276 PolarHBondContact OD1-SG 2.87Å; N274-E277 HydrophobicContact CB-CB 4.24Å; N274-E277 HydrophobicContact CB-CG 3.99Å; N274-E277 PolarHBondContact ND2-OE1 2.84Å; N274-E277 WeakPolarHBondContact O-CA 2.99Å; N274-E277 WeakPolarHBondContact O-CB 2.99Å; N274-E277 PolarHBondContact O-N 3.01Å
275	P	83.6	Confident	76.9	Confident	7 Å²	7	85.1 Å²	85.1	5%	0.045	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-57.2	-32.4	-176.9	-28.3	38.7	0	0	0	112.5	D273 E277 L278 E313 N314 F316	D273-P275 WeakPolarHBondContact O-CD 3.23Å; P275-E277 PolarHBondContact O-N 2.84Å; P275-L278 PolarHBondContact O-N 2.77Å; P275-E313 HydrophobicContact CB-CB 3.72Å; P275-E313 HydrophobicContact CG-CB 3.97Å; P275-N314 WeakPolarHBondContact O-CB 3.19Å; P275-N314 VanDerWaalsContact O-CG 3.3Å; P275-F316 HydrophobicContact CB-CZ 4.25Å
276	C	90.9	Very high	76.8	Confident	6 Å²	6	91.9 Å²	91.9	4%	0.041	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-66.5	-4.9	176.4	-43.8	0	0	0	0	113.1	N274 Y294 C326	N274-C276 PolarHBondContact O-N 3Å; N274-C276 VanDerWaalsContact O-N 3.1Å; N274-C276 WeakPolarHBondContact OD1-CB 3.02Å; N274-C276 PolarHBondContact OD1-N 2.75Å; N274-C276 PolarHBondContact OD1-SG 2.87Å; C276-Y294 HydrophobicContact CB-CD1 3.97Å; C276-Y294 HydrophobicContact CB-CG 4.25Å; C276-Y294 WeakPolarHBondContact O-CD1 3.28Å; C276-C326 HydrophobicContact CB-CB 3.6Å; C276-C326 WeakPolarHBondContact CB-SG 3.2Å; C276-C326 WeakPolarHBondContact SG-CA 3.46Å; C276-C326 WeakPolarHBondContact SG-CB 3.35Å; C276-C326 CovalentContact SG-SG 2.02Å; C276-C326 PolarHBondContact SG-SG 2.81Å
277	E	87.6	Confident	76.2	Confident	113 Å²	113	93.7 Å²	93.7	53%	0.528	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-99.9	-6.3	176.9	-71.7	176.1	-142	0	0	115.5	N274 P275 K296	N274-E277 HydrophobicContact CB-CB 4.24Å; N274-E277 HydrophobicContact CB-CG 3.99Å; N274-E277 PolarHBondContact ND2-OE1 2.84Å; N274-E277 WeakPolarHBondContact O-CA 2.99Å; N274-E277 WeakPolarHBondContact O-CB 2.99Å; N274-E277 PolarHBondContact O-N 3.01Å; P275-E277 PolarHBondContact O-N 2.84Å; E277-K296 WeakPolarHBondContact O-CE 3.4Å; E277-K296 PolarHBondContact O-NZ 3.39Å
278	L	88.8	Confident	76.4	Confident	53 Å²	53	95.3 Å²	95.3	28%	0.277	50%	0.502	S	S	.	.	S	Bend	trans	-91.8	156.9	-178.2	-53.7	169.7	0	0	0	110.9	P275 N312 E313 N314	P275-L278 PolarHBondContact O-N 2.77Å; L278-N312 HydrophobicContact CB-CB 4.5Å; L278-N312 WeakPolarHBondContact CB-OD1 3.32Å; L278-N312 HydrophobicContact CD1-CB 4.06Å; L278-E313 HydrophobicContact CD1-CB 4.13Å; L278-N314 HydrophobicContact CB-CB 4.06Å; L278-N314 PolarHBondContact O-ND2 2.76Å
279	P	92.5	Very high	77.6	Confident	90 Å²	90	94 Å²	94	58%	0.584	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-74.5	160.5	175	30.9	-35	0	0	0	112.1	E281 N312	P279-E281 PolarHBondContact O-N 3.3Å; P279-N312 PolarHBondContact O-ND2 2.83Å; P279-N312 PolarHBondContact O-OD1 2.99Å
280	A	93.2	Very high	79.4	Confident	34 Å²	34	89.4 Å²	89.4	28%	0.281	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-65.7	123.3	166	0	0	0	0	0	109.9	Y293 F304	A280-Y293 HydrophobicContact CB-CD1 3.86Å; A280-Y293 HydrophobicContact CB-CD2 3.61Å; A280-Y293 HydrophobicContact CB-CE1 4.06Å; A280-Y293 HydrophobicContact CB-CE2 3.79Å; A280-Y293 HydrophobicContact CB-CG 3.64Å; A280-F304 HydrophobicContact CB-CB 4.15Å; A280-F304 HydrophobicContact CB-CD1 4.26Å; A280-F304 HydrophobicContact CB-CD2 4.01Å; A280-F304 HydrophobicContact CB-CE2 4.47Å; A280-F304 HydrophobicContact CB-CG 3.88Å
281	E	92.7	Very high	81.7	Confident	81 Å²	81	86.7 Å²	86.7	38%	0.379	46%	0.462	S	S	.	.			trans	-125.8	101.7	-175.3	-167.8	179.5	167.9	0	0	110.9	P279 G283 N312	P279-E281 PolarHBondContact O-N 3.3Å; E281-G283 PolarHBondContact O-N 2.94Å; E281-N312 VanDerWaalsContact CB-ND2 3.32Å; E281-N312 WeakPolarHBondContact CB-ND2 3.04Å; E281-N312 WeakPolarHBondContact OE2-CB 3.28Å; E281-N312 PolarHBondContact OE2-ND2 2.81Å
282	P	91.6	Very high	84	Confident	68 Å²	68	80 Å²	80	44%	0.442	43%	0.431	S	S	.	.			trans	-58.5	-29.1	179.1	-29.2	37.1	0	0	0	114.3	F304 T305 Y306 G307	P282-F304 HydrophobicContact CG-CD2 4.41Å; P282-T305 WeakPolarHBondContact CB-O 3.43Å; P282-Y306 WeakPolarHBondContact O-CD2 3.34Å; P282-G307 VanDerWaalsContact O-CA 3.28Å; P282-G307 WeakPolarHBondContact O-CA 3.46Å; P282-G307 PolarHBondContact O-N 2.98Å
283	G	85.8	Confident	86.3	Confident	24 Å²	24	73.4 Å²	73.4	25%	0.247	40%	0.402	C	S	.	.			trans	72.1	173.2	-169.8	0	0	0	0	0	113.2	E281 C309	E281-G283 PolarHBondContact O-N 2.94Å; G283-C309 WeakPolarHBondContact CA-O 3.33Å
284	P	84.8	Confident	88.2	Confident	84 Å²	84	69.1 Å²	69.1	55%	0.545	38%	0.376	S	S	.	.	S	Bend	trans	-84.8	-7.9	-171.2	33.8	-35.3	0	0	0	113.9	E310	P284-E310 WeakPolarHBondContact CD-OE2 3.32Å; P284-E310 HydrophobicContact CG-CB 4.4Å; P284-E310 HydrophobicContact CG-CG 3.89Å; P284-E310 WeakPolarHBondContact CG-OE2 3.4Å
285	C	86.7	Confident	89.4	Confident	57 Å²	57	66.9 Å²	66.9	39%	0.385	36%	0.364	S	S	.	.			trans	-76.7	158.7	179	-75.9	0	0	0	0	112.7	G307 C309	C285-G307 CarbonylContact C-O 3.18Å; C285-G307 WeakPolarHBondContact CB-O 3.48Å; C285-G307 WeakPolarHBondContact O-CA 3.41Å; C285-C309 HydrophobicContact CB-CB 3.81Å; C285-C309 WeakPolarHBondContact CB-SG 3.49Å; C285-C309 WeakPolarHBondContact SG-CB 3.37Å; C285-C309 CovalentContact SG-SG 2Å; C285-C309 PolarHBondContact SG-SG 2.95Å
286	K	84.5	Confident	89.6	Confident	212 Å²	212	71.9 Å²	71.9	92%	0.922	39%	0.385	S	S	*	.			trans	-105.4	7.7	-172	-62	-175.2	178.8	-178.5	0	114.6	G307	K286-G307 PolarHBondContact N-O 3.04Å
287	A	74.7	Confident	89.5	Confident	45 Å²	45	80.3 Å²	80.3	37%	0.372	42%	0.424	S	S	.	.			trans	-71.1	161	171	0	0	0	0	0	109.8	F289 G307	A287-F289 HydrophobicContact CB-CD2 3.89Å; A287-F289 HydrophobicContact CB-CE2 3.4Å; A287-F289 HydrophobicContact CB-CZ 4.13Å; A287-G307 WeakPolarHBondContact CA-O 3.34Å; A287-G307 VanDerWaalsContact CB-O 3.24Å; A287-G307 WeakPolarHBondContact CB-O 3.44Å; A287-G307 PolarHBondContact N-O 3.08Å; A287-G307 CarbonylContact O-C 3.57Å; A287-G307 WeakPolarHBondContact O-CA 3.27Å
288	S	86.1	Confident	89.7	Confident	99 Å²	99	76.9 Å²	76.9	69%	0.692	41%	0.413	S	S	*	.			trans	-122.4	90.9	-179.1	-171	0	0	0	0	109	T305	S288-T305 WeakPolarHBondContact OG-CG2 3.48Å
289	F	87.1	Confident	89.7	Confident	103 Å²	103	81.8 Å²	81.8	45%	0.452	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.1	173.4	-60.8	-74.8	0	0	0	109.3	A287 R291 Y306	A287-F289 HydrophobicContact CB-CD2 3.89Å; A287-F289 HydrophobicContact CB-CE2 3.4Å; A287-F289 HydrophobicContact CB-CZ 4.13Å; F289-R291 PolarHBondContact O-N 2.93Å; F289-Y306 HydrophobicContact CB-CD1 4.31Å; F289-Y306 HydrophobicContact CD2-CD1 4.26Å; F289-Y306 PolarHBondContact N-O 3.27Å; F289-Y306 PolarHBondContact O-N 2.64Å
290	L	91	Very high	89.7	Confident	109 Å²	109	84.4 Å²	84.4	57%	0.571	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.7	172.4	-165.6	69.9	0	0	0	109	T303	L290-T303 HydrophobicContact CD1-CG2 4.1Å; L290-T303 HydrophobicContact CD2-CG2 4.25Å; L290-T303 HydrophobicContact CG-CG2 4.14Å
291	R	95.6	Very high	89.9	Confident	58 Å²	58	83.6 Å²	83.6	22%	0.219	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158.6	176.9	-71.3	-79.8	156.7	94	-7.8	109.2	F289 T303 F304 Y306 F316	F289-R291 PolarHBondContact O-N 2.93Å; R291-T303 CarbonylContact O-C 3.53Å; R291-T303 VanDerWaalsContact O-CA 3.23Å; R291-T303 WeakPolarHBondContact O-CA 3.49Å; R291-F304 HydrophobicContact CB-CD1 3.93Å; R291-F304 HydrophobicContact CB-CE1 3.41Å; R291-F304 VanDerWaalsContact CB-CE1 3.41Å; R291-F304 HydrophobicContact CB-CZ 3.91Å; R291-F304 PolarHBondContact N-O 3.35Å; R291-F304 PolarHBondContact O-N 2.9Å; R291-Y306 HydrophobicContact CG-CD1 4.33Å; R291-Y306 HydrophobicContact CG-CG 4.22Å; R291-F316 WeakPolarHBondContact CD-O 3.32Å
292	Y	96.4	Very high	90	Very high	60 Å²	60	82.9 Å²	82.9	24%	0.235	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.5	173	-65.1	-95.3	0	0	0	109.8	E302 T303 F316 T318 L319	Y292-E302 CarbonylContact C-O 3.56Å; Y292-E302 VanDerWaalsContact CA-O 3.24Å; Y292-E302 WeakPolarHBondContact CA-O 3.49Å; Y292-T303 HydrophobicContact CD1-CG2 3.86Å; Y292-T303 HydrophobicContact CE1-CG2 3.52Å; Y292-F316 PolarHBondContact N-O 2.59Å; Y292-F316 WeakPolarHBondContact O-CD2 3.44Å; Y292-F316 PolarHBondContact O-N 3.29Å; Y292-T318 VanDerWaalsContact CD2-C 3.4Å; Y292-L319 HydrophobicContact CD1-CB 3.87Å; Y292-L319 HydrophobicContact CD1-CD1 3.74Å; Y292-L319 HydrophobicContact CD1-CG 4.39Å; Y292-L319 VanDerWaalsContact CD2-N 3.28Å; Y292-L319 HydrophobicContact CE1-CB 3.61Å; Y292-L319 HydrophobicContact CE1-CD1 3.93Å; Y292-L319 HydrophobicContact CE1-CG 4.23Å; Y292-L319 HydrophobicContact CE2-CB 4.3Å; Y292-L319 HydrophobicContact CG-CB 4.3Å
293	Y	95.4	Very high	90.2	Very high	39 Å²	39	83.1 Å²	83.1	15%	0.153	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151	172	80	-74	0	0	0	109.1	A280 N295 C301 E302 F304 N314 C322	A280-Y293 HydrophobicContact CB-CD1 3.86Å; A280-Y293 HydrophobicContact CB-CD2 3.61Å; A280-Y293 HydrophobicContact CB-CE1 4.06Å; A280-Y293 HydrophobicContact CB-CE2 3.79Å; A280-Y293 HydrophobicContact CB-CG 3.64Å; Y293-N295 HydrophobicContact CD2-CB 4.43Å; Y293-N295 HydrophobicContact CE2-CB 3.66Å; Y293-N295 PolarHBondContact O-N 3.25Å; Y293-N295 PolarHBondContact OH-ND2 2.03Å; Y293-C301 CarbonylContact O-C 3.04Å; Y293-C301 VanDerWaalsContact O-CA 3.28Å; Y293-C301 WeakPolarHBondContact O-CA 3.45Å; Y293-E302 HydrophobicContact CD1-CB 4.2Å; Y293-E302 VanDerWaalsContact CD1-O 3.24Å; Y293-E302 WeakPolarHBondContact CD1-O 3.42Å; Y293-E302 HydrophobicContact CE1-CB 3.6Å; Y293-E302 PolarHBondContact N-O 2.79Å; Y293-E302 PolarHBondContact O-N 2.84Å; Y293-E302 PolarHBondContact OH-OE2 2.84Å; Y293-F304 HydrophobicContact CD1-CB 4.06Å; Y293-F304 AromaticContact CD1-CD1 3.77Å; Y293-F304 HydrophobicContact CD1-CD1 3.77Å; Y293-F304 HydrophobicContact CD1-CG 4.23Å; Y293-F304 HydrophobicContact CE1-CB 4.25Å; Y293-F304 HydrophobicContact CG-CD1 4.19Å; Y293-N314 WeakPolarHBondContact CB-O 3.23Å; Y293-C322 VanDerWaalsContact C-SG 3.59Å
294	Y	95.5	Very high	90.7	Very high	41 Å²	41	82.9 Å²	82.9	16%	0.161	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	110.8	172.1	-177.5	-100.4	0	0	0	109.4	C276 K296 N314 C326 V327	C276-Y294 HydrophobicContact CB-CD1 3.97Å; C276-Y294 HydrophobicContact CB-CG 4.25Å; C276-Y294 WeakPolarHBondContact O-CD1 3.28Å; Y294-K296 PolarHBondContact O-N 2.83Å; Y294-N314 PolarHBondContact N-OD1 3.46Å; Y294-N314 PolarHBondContact O-ND2 3.41Å; Y294-C326 VanDerWaalsContact CB-SG 3.59Å; Y294-C326 HydrophobicContact CD1-CB 4.24Å; Y294-C326 HydrophobicContact CD2-CB 3.39Å; Y294-C326 HydrophobicContact CE2-CB 4.11Å; Y294-C326 HydrophobicContact CG-CB 3.45Å; Y294-C326 VanDerWaalsContact CG-CB 3.45Å; Y294-V327 HydrophobicContact CD2-CG2 4.25Å; Y294-V327 HydrophobicContact CE2-CG2 4.05Å
295	N	93.2	Very high	91.1	Very high	21 Å²	21	82.4 Å²	82.4	11%	0.112	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.4	172.8	-177.6	-21.6	0	0	0	108.8	Y293 E297 S298 K299 K300 E302	Y293-N295 HydrophobicContact CD2-CB 4.43Å; Y293-N295 HydrophobicContact CE2-CB 3.66Å; Y293-N295 PolarHBondContact O-N 3.25Å; Y293-N295 PolarHBondContact OH-ND2 2.03Å; N295-E297 VanDerWaalsContact C-N 3.26Å; N295-E297 PolarHBondContact O-N 3.23Å; N295-E297 WeakPolarHBondContact OD1-CA 3.31Å; N295-E297 WeakPolarHBondContact OD1-CB 3.49Å; N295-E297 PolarHBondContact OD1-N 2.91Å; N295-S298 WeakPolarHBondContact CB-OG 3.33Å; N295-S298 PolarHBondContact OD1-N 3.16Å; N295-K299 VanDerWaalsContact O-CA 3.3Å; N295-K299 WeakPolarHBondContact O-CA 3.34Å; N295-K299 PolarHBondContact O-N 3.28Å; N295-K300 PolarHBondContact N-O 3.1Å; N295-E302 HydrophobicContact CB-CG 4.21Å; N295-E302 VanDerWaalsContact ND2-CD 3.31Å; N295-E302 PolarHBondContact ND2-OE1 2.99Å; N295-E302 PolarHBondContact ND2-OE2 2.58Å
296	K	87.6	Confident	91.3	Very high	112 Å²	112	81.4 Å²	81.4	49%	0.487	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.4	178.1	-72.6	-172.4	-178.2	177.6	0	113.3	E277 Y294	E277-K296 WeakPolarHBondContact O-CE 3.4Å; E277-K296 PolarHBondContact O-NZ 3.39Å; Y294-K296 PolarHBondContact O-N 2.83Å
297	E	88.5	Confident	91.5	Very high	183 Å²	183	71.5 Å²	71.5	86%	0.855	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-47.5	-175.7	-62.7	171.7	173.8	0	0	110.4	N295	N295-E297 VanDerWaalsContact C-N 3.26Å; N295-E297 PolarHBondContact O-N 3.23Å; N295-E297 WeakPolarHBondContact OD1-CA 3.31Å; N295-E297 WeakPolarHBondContact OD1-CB 3.49Å; N295-E297 PolarHBondContact OD1-N 2.91Å
298	S	92.1	Very high	91.9	Very high	42 Å²	42	70.9 Å²	70.9	29%	0.294	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.1	178.5	74.4	0	0	0	0	113.9	N295 K300 E302	N295-S298 WeakPolarHBondContact CB-OG 3.33Å; N295-S298 PolarHBondContact OD1-N 3.16Å; S298-K300 PolarHBondContact O-N 2.87Å; S298-K300 PolarHBondContact OG-N 3.37Å; S298-E302 WeakPolarHBondContact CB-OE1 3.42Å; S298-E302 PolarHBondContact OG-OE1 3.07Å
299	K	89	Confident	91.7	Very high	155 Å²	155	67.9 Å²	67.9	67%	0.674	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	27.1	-172.3	-57.2	-179.5	-179.6	175.5	0	113.2	N295	N295-K299 VanDerWaalsContact O-CA 3.3Å; N295-K299 WeakPolarHBondContact O-CA 3.34Å; N295-K299 PolarHBondContact O-N 3.28Å
300	K	93.2	Very high	91.6	Very high	145 Å²	145	69.5 Å²	69.5	63%	0.63	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.1	-178.8	-68.1	175.6	-176.4	179.3	0	110	N295 S298	N295-K300 PolarHBondContact N-O 3.1Å; S298-K300 PolarHBondContact O-N 2.87Å; S298-K300 PolarHBondContact OG-N 3.37Å
301	C	95.4	Very high	91.1	Very high	18 Å²	18	65.7 Å²	65.7	12%	0.122	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.3	166.5	-72.5	0	0	0	0	109.1	Y293 L319 C322 E323	Y293-C301 CarbonylContact O-C 3.04Å; Y293-C301 VanDerWaalsContact O-CA 3.28Å; Y293-C301 WeakPolarHBondContact O-CA 3.45Å; C301-L319 HydrophobicContact CB-CD1 3.48Å; C301-L319 VanDerWaalsContact CB-CD1 3.48Å; C301-C322 HydrophobicContact CB-CB 3.69Å; C301-C322 WeakPolarHBondContact CB-SG 3.25Å; C301-C322 WeakPolarHBondContact SG-CB 3.4Å; C301-C322 CovalentContact SG-SG 2.03Å; C301-C322 PolarHBondContact SG-SG 3.18Å; C301-E323 HydrophobicContact CB-CG 4.22Å; C301-E323 PolarHBondContact SG-N 2.85Å; C301-E323 VanDerWaalsContact SG-N 3.39Å
302	E	96.8	Very high	90.8	Very high	65 Å²	65	64.7 Å²	64.7	30%	0.304	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	160.7	-178.9	-71	175.4	-169	0	0	110.2	Y292 Y293 N295 S298	Y292-E302 CarbonylContact C-O 3.56Å; Y292-E302 VanDerWaalsContact CA-O 3.24Å; Y292-E302 WeakPolarHBondContact CA-O 3.49Å; Y293-E302 HydrophobicContact CD1-CB 4.2Å; Y293-E302 VanDerWaalsContact CD1-O 3.24Å; Y293-E302 WeakPolarHBondContact CD1-O 3.42Å; Y293-E302 HydrophobicContact CE1-CB 3.6Å; Y293-E302 PolarHBondContact N-O 2.79Å; Y293-E302 PolarHBondContact O-N 2.84Å; Y293-E302 PolarHBondContact OH-OE2 2.84Å; N295-E302 HydrophobicContact CB-CG 4.21Å; N295-E302 VanDerWaalsContact ND2-CD 3.31Å; N295-E302 PolarHBondContact ND2-OE1 2.99Å; N295-E302 PolarHBondContact ND2-OE2 2.58Å; S298-E302 WeakPolarHBondContact CB-OE1 3.42Å; S298-E302 PolarHBondContact OG-OE1 3.07Å
303	T	95.6	Very high	90.5	Very high	73 Å²	73	65.6 Å²	65.6	45%	0.448	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.5	177.3	54.4	0	0	0	0	112	L290 R291 Y292	L290-T303 HydrophobicContact CD1-CG2 4.1Å; L290-T303 HydrophobicContact CD2-CG2 4.25Å; L290-T303 HydrophobicContact CG-CG2 4.14Å; R291-T303 CarbonylContact O-C 3.53Å; R291-T303 VanDerWaalsContact O-CA 3.23Å; R291-T303 WeakPolarHBondContact O-CA 3.49Å; Y292-T303 HydrophobicContact CD1-CG2 3.86Å; Y292-T303 HydrophobicContact CE1-CG2 3.52Å
304	F	94.9	Very high	90.4	Very high	20 Å²	20	63.8 Å²	63.8	9%	0.088	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.5	166	79.8	-71.3	0	0	0	110.9	A280 P282 R291 Y293 S315	A280-F304 HydrophobicContact CB-CB 4.15Å; A280-F304 HydrophobicContact CB-CD1 4.26Å; A280-F304 HydrophobicContact CB-CD2 4.01Å; A280-F304 HydrophobicContact CB-CE2 4.47Å; A280-F304 HydrophobicContact CB-CG 3.88Å; P282-F304 HydrophobicContact CG-CD2 4.41Å; R291-F304 HydrophobicContact CB-CD1 3.93Å; R291-F304 HydrophobicContact CB-CE1 3.41Å; R291-F304 VanDerWaalsContact CB-CE1 3.41Å; R291-F304 HydrophobicContact CB-CZ 3.91Å; R291-F304 PolarHBondContact N-O 3.35Å; R291-F304 PolarHBondContact O-N 2.9Å; Y293-F304 HydrophobicContact CD1-CB 4.06Å; Y293-F304 AromaticContact CD1-CD1 3.77Å; Y293-F304 HydrophobicContact CD1-CD1 3.77Å; Y293-F304 HydrophobicContact CD1-CG 4.23Å; Y293-F304 HydrophobicContact CE1-CB 4.25Å; Y293-F304 HydrophobicContact CG-CD1 4.19Å; F304-S315 WeakPolarHBondContact CZ-OG 3.33Å
305	T	92.9	Very high	90.3	Very high	74 Å²	74	63.3 Å²	63.3	45%	0.454	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.1	176	-56.4	0	0	0	0	110	P282 S288	P282-T305 WeakPolarHBondContact CB-O 3.43Å; S288-T305 WeakPolarHBondContact OG-CG2 3.48Å
306	Y	91.1	Very high	90.4	Very high	36 Å²	36	62.5 Å²	62.5	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.3	172.3	176.1	-118.7	0	0	0	110.4	P282 F289 R291 G308 C309 E310	P282-Y306 WeakPolarHBondContact O-CD2 3.34Å; F289-Y306 HydrophobicContact CB-CD1 4.31Å; F289-Y306 HydrophobicContact CD2-CD1 4.26Å; F289-Y306 PolarHBondContact N-O 3.27Å; F289-Y306 PolarHBondContact O-N 2.64Å; R291-Y306 HydrophobicContact CG-CD1 4.33Å; R291-Y306 HydrophobicContact CG-CG 4.22Å; Y306-G308 PolarHBondContact O-N 3.07Å; Y306-G308 VanDerWaalsContact O-N 3.12Å; Y306-C309 VanDerWaalsContact OH-C 3.31Å; Y306-C309 VanDerWaalsContact OH-CA 3.28Å; Y306-C309 WeakPolarHBondContact OH-CA 3.44Å; Y306-C309 PolarHBondContact OH-N 3.36Å; Y306-E310 WeakPolarHBondContact CE2-O 3.28Å; Y306-E310 PolarHBondContact OH-O 3.21Å
307	G	89.1	Confident	90.5	Very high	4 Å²	4	63.7 Å²	63.7	4%	0.041	33%	0.334	C	S	.	.			trans	-62.8	-13.5	-176.2	0	0	0	0	0	114.9	P282 C285 K286 A287	P282-G307 VanDerWaalsContact O-CA 3.28Å; P282-G307 WeakPolarHBondContact O-CA 3.46Å; P282-G307 PolarHBondContact O-N 2.98Å; C285-G307 CarbonylContact C-O 3.18Å; C285-G307 WeakPolarHBondContact CB-O 3.48Å; C285-G307 WeakPolarHBondContact O-CA 3.41Å; K286-G307 PolarHBondContact N-O 3.04Å; A287-G307 WeakPolarHBondContact CA-O 3.34Å; A287-G307 VanDerWaalsContact CB-O 3.24Å; A287-G307 WeakPolarHBondContact CB-O 3.44Å; A287-G307 PolarHBondContact N-O 3.08Å; A287-G307 CarbonylContact O-C 3.57Å; A287-G307 WeakPolarHBondContact O-CA 3.27Å
308	G	83.2	Confident	90.7	Very high	32 Å²	32	58.2 Å²	58.2	33%	0.33	31%	0.313	S	S	.	.	S	Bend	trans	95.9	-3	179.4	0	0	0	0	0	115.2	Y306	Y306-G308 PolarHBondContact O-N 3.07Å; Y306-G308 VanDerWaalsContact O-N 3.12Å
309	C	83	Confident	90.7	Very high	36 Å²	36	59.2 Å²	59.2	24%	0.243	32%	0.315	C	S	.	.	S	Bend	trans	-151	162.3	169.7	74.6	0	0	0	0	111.4	G283 C285 Y306	G283-C309 WeakPolarHBondContact CA-O 3.33Å; C285-C309 HydrophobicContact CB-CB 3.81Å; C285-C309 WeakPolarHBondContact CB-SG 3.49Å; C285-C309 WeakPolarHBondContact SG-CB 3.37Å; C285-C309 CovalentContact SG-SG 2Å; C285-C309 PolarHBondContact SG-SG 2.95Å; Y306-C309 VanDerWaalsContact OH-C 3.31Å; Y306-C309 VanDerWaalsContact OH-CA 3.28Å; Y306-C309 WeakPolarHBondContact OH-CA 3.44Å; Y306-C309 PolarHBondContact OH-N 3.36Å
310	E	84.5	Confident	90.7	Very high	136 Å²	136	59.9 Å²	59.9	64%	0.636	32%	0.318	S	S	*	.			trans	56.6	-146.8	-173.5	-50.9	-172.2	-178.6	0	0	112.6	P284 Y306	P284-E310 WeakPolarHBondContact CD-OE2 3.32Å; P284-E310 HydrophobicContact CG-CB 4.4Å; P284-E310 HydrophobicContact CG-CG 3.89Å; P284-E310 WeakPolarHBondContact CG-OE2 3.4Å; Y306-E310 WeakPolarHBondContact CE2-O 3.28Å; Y306-E310 PolarHBondContact OH-O 3.21Å
311	G	80.7	Confident	90.6	Very high	30 Å²	30	56.9 Å²	56.9	31%	0.309	31%	0.306	S	S	.	.			trans	81.1	179.6	-173.5	0	0	0	0	0	114.3
312	N	89.1	Confident	90.5	Very high	36 Å²	36	56 Å²	56	19%	0.193	30%	0.3	C	S	.	.			trans	-122.3	-178.6	-174.9	69.4	53.2	0	0	0	113	L278 P279 E281 N314	L278-N312 HydrophobicContact CB-CB 4.5Å; L278-N312 WeakPolarHBondContact CB-OD1 3.32Å; L278-N312 HydrophobicContact CD1-CB 4.06Å; P279-N312 PolarHBondContact O-ND2 2.83Å; P279-N312 PolarHBondContact O-OD1 2.99Å; E281-N312 VanDerWaalsContact CB-ND2 3.32Å; E281-N312 WeakPolarHBondContact CB-ND2 3.04Å; E281-N312 WeakPolarHBondContact OE2-CB 3.28Å; E281-N312 PolarHBondContact OE2-ND2 2.81Å; N312-N314 VanDerWaalsContact C-N 3.28Å; N312-N314 PolarHBondContact O-N 2.91Å; N312-N314 PolarHBondContact OD1-N 2.89Å
313	E	89.5	Confident	90.4	Very high	80 Å²	80	57.3 Å²	57.3	37%	0.374	31%	0.306	S	S	.	.	S	Bend	trans	-73	-9.3	-172.9	-59.7	-156.9	172.2	0	0	115.1	K270 P275 L278 S315	K270-E313 WeakPolarHBondContact CE-OE1 3.14Å; K270-E313 IonicContact NZ-OE1 3.88Å; K270-E313 PolarHBondContact NZ-OE1 2.93Å; K270-E313 IonicContact NZ-OE2 2.7Å; K270-E313 PolarHBondContact NZ-OE2 2.83Å; P275-E313 HydrophobicContact CB-CB 3.72Å; P275-E313 HydrophobicContact CG-CB 3.97Å; L278-E313 HydrophobicContact CD1-CB 4.13Å; E313-S315 PolarHBondContact O-N 2.85Å
314	N	93.3	Very high	90	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.319	C	S	.	.			trans	-79.8	52.5	171.8	-155	5.9	0	0	0	110.9	P275 L278 Y293 Y294 N312 F316	P275-N314 WeakPolarHBondContact O-CB 3.19Å; P275-N314 VanDerWaalsContact O-CG 3.3Å; L278-N314 HydrophobicContact CB-CB 4.06Å; L278-N314 PolarHBondContact O-ND2 2.76Å; Y293-N314 WeakPolarHBondContact CB-O 3.23Å; Y294-N314 PolarHBondContact N-OD1 3.46Å; Y294-N314 PolarHBondContact O-ND2 3.41Å; N312-N314 VanDerWaalsContact C-N 3.28Å; N312-N314 PolarHBondContact O-N 2.91Å; N312-N314 PolarHBondContact OD1-N 2.89Å; N314-F316 WeakPolarHBondContact OD1-CE2 3.01Å
315	S	94.5	Very high	89.7	Confident	31 Å²	31	62.4 Å²	62.4	22%	0.217	34%	0.335	C	S	.	.			trans	-144.6	90.6	-175.9	-175.4	0	0	0	0	108.8	F304 E313	F304-S315 WeakPolarHBondContact CZ-OG 3.33Å; E313-S315 PolarHBondContact O-N 2.85Å
316	F	94.3	Very high	89.6	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.018	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-98.4	143.4	-177.7	-53.6	-75.1	0	0	0	110.3	P275 R291 Y292 N314 E321 C322 R325 C326	P275-F316 HydrophobicContact CB-CZ 4.25Å; R291-F316 WeakPolarHBondContact CD-O 3.32Å; Y292-F316 PolarHBondContact N-O 2.59Å; Y292-F316 WeakPolarHBondContact O-CD2 3.44Å; Y292-F316 PolarHBondContact O-N 3.29Å; N314-F316 WeakPolarHBondContact OD1-CE2 3.01Å; F316-E321 HydrophobicContact CB-CB 4.28Å; F316-E321 HydrophobicContact CB-CG 4.37Å; F316-E321 HydrophobicContact CD1-CG 3.9Å; F316-C322 HydrophobicContact CB-CB 3.83Å; F316-C322 HydrophobicContact CD2-CB 3.31Å; F316-C322 WeakPolarHBondContact CD2-SG 3.44Å; F316-C322 HydrophobicContact CE2-CB 4.02Å; F316-C322 HydrophobicContact CG-CB 3.67Å; F316-R325 HydrophobicContact CE1-CB 4.03Å; F316-R325 HydrophobicContact CE1-CG 3.97Å; F316-R325 HydrophobicContact CZ-CB 4.24Å; F316-R325 HydrophobicContact CZ-CG 4.19Å; F316-C326 VanDerWaalsContact CZ-SG 3.53Å
317	E	90.4	Very high	89.4	Confident	137 Å²	137	60 Å²	60	64%	0.64	33%	0.325	S	S	*	.	S	Bend	trans	-75.9	-28.8	-177.8	-170.4	167.8	-161.9	0	0	111.9	E321	E317-E321 PolarHBondContact N-OE2 2.03Å
318	T	91.2	Very high	88.3	Confident	68 Å²	68	69.3 Å²	69.3	42%	0.417	36%	0.364	S	S	.	.	S	Bend	trans	-130.7	151.9	-179.2	69.4	0	0	0	0	112.1	Y292 K320 E321 C322	Y292-T318 VanDerWaalsContact CD2-C 3.4Å; T318-K320 VanDerWaalsContact C-N 3.25Å; T318-K320 PolarHBondContact O-N 3.25Å; T318-E321 PolarHBondContact O-N 2.87Å; T318-E321 WeakPolarHBondContact OG1-CB 3.45Å; T318-E321 PolarHBondContact OG1-N 2.78Å; T318-E321 VanDerWaalsContact OG1-N 3.17Å; T318-C322 PolarHBondContact O-N 3.06Å; T318-C322 VanDerWaalsContact O-N 3.15Å
319	L	92.5	Very high	87	Confident	63 Å²	63	74.9 Å²	74.9	33%	0.33	39%	0.386	S	S	.	.	H	α-helix	trans	-55.2	-43.5	173	-179.3	59.5	0	0	0	111.3	Y292 C301 E321 C322 E323	Y292-L319 HydrophobicContact CD1-CB 3.87Å; Y292-L319 HydrophobicContact CD1-CD1 3.74Å; Y292-L319 HydrophobicContact CD1-CG 4.39Å; Y292-L319 VanDerWaalsContact CD2-N 3.28Å; Y292-L319 HydrophobicContact CE1-CB 3.61Å; Y292-L319 HydrophobicContact CE1-CD1 3.93Å; Y292-L319 HydrophobicContact CE1-CG 4.23Å; Y292-L319 HydrophobicContact CE2-CB 4.3Å; Y292-L319 HydrophobicContact CG-CB 4.3Å; C301-L319 HydrophobicContact CB-CD1 3.48Å; C301-L319 VanDerWaalsContact CB-CD1 3.48Å; L319-E321 VanDerWaalsContact C-N 3.3Å; L319-E321 PolarHBondContact O-N 2.92Å; L319-C322 PolarHBondContact O-N 2.82Å; L319-E323 HydrophobicContact CD1-CG 3.98Å; L319-E323 HydrophobicContact CG-CG 4.2Å; L319-E323 WeakPolarHBondContact O-CB 3.45Å; L319-E323 WeakPolarHBondContact O-CG 3.41Å; L319-E323 PolarHBondContact O-N 2.67Å
320	K	89.5	Confident	85.2	Confident	169 Å²	169	83 Å²	83	74%	0.735	42%	0.417	S	S	*	.	H	α-helix	trans	-59.4	-39.5	179.3	-174.5	-180	179.3	-178.2	0	112.2	T318 A324	T318-K320 VanDerWaalsContact C-N 3.25Å; T318-K320 PolarHBondContact O-N 3.25Å; K320-A324 WeakPolarHBondContact O-CB 3.33Å; K320-A324 PolarHBondContact O-N 3.15Å
321	E	91.7	Very high	83.4	Confident	81 Å²	81	86.2 Å²	86.2	38%	0.379	43%	0.429	S	S	.	.	H	α-helix	trans	-67.5	-45.7	177.2	-172.2	-172	-178.3	0	0	111.3	F316 E317 T318 L319 R325	F316-E321 HydrophobicContact CB-CB 4.28Å; F316-E321 HydrophobicContact CB-CG 4.37Å; F316-E321 HydrophobicContact CD1-CG 3.9Å; E317-E321 PolarHBondContact N-OE2 2.03Å; T318-E321 PolarHBondContact O-N 2.87Å; T318-E321 WeakPolarHBondContact OG1-CB 3.45Å; T318-E321 PolarHBondContact OG1-N 2.78Å; T318-E321 VanDerWaalsContact OG1-N 3.17Å; L319-E321 VanDerWaalsContact C-N 3.3Å; L319-E321 PolarHBondContact O-N 2.92Å; E321-R325 WeakPolarHBondContact O-CB 3.32Å; E321-R325 PolarHBondContact O-N 2.81Å
322	C	93.7	Very high	81.6	Confident	0 Å²	0	97.4 Å²	97.4	0%	0	46%	0.462	C	S	.	.	H	α-helix	trans	-59.9	-49.3	175.2	-178.9	0	0	0	0	111.5	Y293 C301 F316 T318 L319 R325 C326	Y293-C322 VanDerWaalsContact C-SG 3.59Å; C301-C322 HydrophobicContact CB-CB 3.69Å; C301-C322 WeakPolarHBondContact CB-SG 3.25Å; C301-C322 WeakPolarHBondContact SG-CB 3.4Å; C301-C322 CovalentContact SG-SG 2.03Å; C301-C322 PolarHBondContact SG-SG 3.18Å; F316-C322 HydrophobicContact CB-CB 3.83Å; F316-C322 HydrophobicContact CD2-CB 3.31Å; F316-C322 WeakPolarHBondContact CD2-SG 3.44Å; F316-C322 HydrophobicContact CE2-CB 4.02Å; F316-C322 HydrophobicContact CG-CB 3.67Å; T318-C322 PolarHBondContact O-N 3.06Å; T318-C322 VanDerWaalsContact O-N 3.15Å; L319-C322 PolarHBondContact O-N 2.82Å; C322-R325 PolarHBondContact O-N 2.88Å; C322-C326 VanDerWaalsContact O-CB 3.29Å; C322-C326 WeakPolarHBondContact O-CB 3.28Å; C322-C326 PolarHBondContact O-N 3.24Å
323	E	93.1	Very high	79.4	Confident	92 Å²	92	105.4 Å²	105.4	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-46	-178.6	-72.2	-177.9	155.9	0	0	111.7	C301 L319 R325 C326 V327	C301-E323 HydrophobicContact CB-CG 4.22Å; C301-E323 PolarHBondContact SG-N 2.85Å; C301-E323 VanDerWaalsContact SG-N 3.39Å; L319-E323 HydrophobicContact CD1-CG 3.98Å; L319-E323 HydrophobicContact CG-CG 4.2Å; L319-E323 WeakPolarHBondContact O-CB 3.45Å; L319-E323 WeakPolarHBondContact O-CG 3.41Å; L319-E323 PolarHBondContact O-N 2.67Å; E323-R325 PolarHBondContact O-N 3.35Å; E323-C326 PolarHBondContact O-N 2.97Å; E323-V327 HydrophobicContact CB-CB 4.4Å; E323-V327 HydrophobicContact CB-CG2 4.3Å; E323-V327 HydrophobicContact CG-CG2 4.19Å; E323-V327 WeakPolarHBondContact O-CA 3.48Å; E323-V327 WeakPolarHBondContact O-CB 3.38Å; E323-V327 PolarHBondContact O-N 3.37Å
324	A	87.2	Confident	77.4	Confident	88 Å²	88	113.6 Å²	113.6	73%	0.727	52%	0.523	S	S	*	.	H	α-helix	trans	-61.1	-32	177.8	0	0	0	0	0	112.3	K320	K320-A324 WeakPolarHBondContact O-CB 3.33Å; K320-A324 PolarHBondContact O-N 3.15Å
325	R	89.1	Confident	75.1	Confident	113 Å²	113	122.5 Å²	122.5	43%	0.426	56%	0.564	S	S	.	*	H	α-helix	trans	-87.6	-35.6	-177.1	-164.1	135.6	173.1	169	2.8	113.3	F316 E321 C322 E323	F316-R325 HydrophobicContact CE1-CB 4.03Å; F316-R325 HydrophobicContact CE1-CG 3.97Å; F316-R325 HydrophobicContact CZ-CB 4.24Å; F316-R325 HydrophobicContact CZ-CG 4.19Å; E321-R325 WeakPolarHBondContact O-CB 3.32Å; E321-R325 PolarHBondContact O-N 2.81Å; C322-R325 PolarHBondContact O-N 2.88Å; E323-R325 PolarHBondContact O-N 3.35Å
326	C	91	Very high	73.7	Confident	13 Å²	13	127.8 Å²	127.8	9%	0.088	59%	0.586	C	S	.	*	H	α-helix	trans	-116.3	-26.9	-168.3	-59.2	0	0	0	0	114.9	C276 Y294 F316 C322 E323 K328	C276-C326 HydrophobicContact CB-CB 3.6Å; C276-C326 WeakPolarHBondContact CB-SG 3.2Å; C276-C326 WeakPolarHBondContact SG-CA 3.46Å; C276-C326 WeakPolarHBondContact SG-CB 3.35Å; C276-C326 CovalentContact SG-SG 2.02Å; C276-C326 PolarHBondContact SG-SG 2.81Å; Y294-C326 VanDerWaalsContact CB-SG 3.59Å; Y294-C326 HydrophobicContact CD1-CB 4.24Å; Y294-C326 HydrophobicContact CD2-CB 3.39Å; Y294-C326 HydrophobicContact CE2-CB 4.11Å; Y294-C326 HydrophobicContact CG-CB 3.45Å; Y294-C326 VanDerWaalsContact CG-CB 3.45Å; F316-C326 VanDerWaalsContact CZ-SG 3.53Å; C322-C326 VanDerWaalsContact O-CB 3.29Å; C322-C326 WeakPolarHBondContact O-CB 3.28Å; C322-C326 PolarHBondContact O-N 3.24Å; E323-C326 PolarHBondContact O-N 2.97Å; C326-K328 PolarHBondContact O-N 3.12Å
327	V	86.5	Confident	73	Confident	46 Å²	46	130.9 Å²	130.9	28%	0.279	61%	0.605	S	S	.	*			trans	-94.5	92.3	-179	-176.7	0	0	0	0	109.4	Y294 E323 N329	Y294-V327 HydrophobicContact CD2-CG2 4.25Å; Y294-V327 HydrophobicContact CE2-CG2 4.05Å; E323-V327 HydrophobicContact CB-CB 4.4Å; E323-V327 HydrophobicContact CB-CG2 4.3Å; E323-V327 HydrophobicContact CG-CG2 4.19Å; E323-V327 WeakPolarHBondContact O-CA 3.48Å; E323-V327 WeakPolarHBondContact O-CB 3.38Å; E323-V327 PolarHBondContact O-N 3.37Å; V327-N329 PolarHBondContact O-N 3Å
328	K	66.8	Low	72.9	Confident	200 Å²	200	126 Å²	126	87%	0.87	59%	0.585	S	S	*	*			trans	-73.6	88.3	175.2	-70.5	-176.3	-178.6	174.2	0	111.2	C326 K330	C326-K328 PolarHBondContact O-N 3.12Å; K328-K330 PolarHBondContact O-N 3.28Å
329	N	56.2	Low	73	Confident	148 Å²	148	123.6 Å²	123.6	79%	0.791	57%	0.57	S	S	*	*			trans	-75.8	107.4	166.1	-88.2	-28.9	0	0	0	110.6	V327 K331	V327-N329 PolarHBondContact O-N 3Å; N329-K331 PolarHBondContact O-N 3.02Å
330	K	44.5	Very low	72.8	Confident	208 Å²	208	125.2 Å²	125.2	90%	0.904	58%	0.576	S	S	*	*			trans	-70.7	94.5	167.8	-74.2	-175.8	176.3	-179.5	0	109.5	K328	K328-K330 PolarHBondContact O-N 3.28Å
331	K	46.9	Very low	72.9	Confident	203 Å²	203	119.1 Å²	119.1	88%	0.883	55%	0.552	S	S	*	*			trans	177.9	108.5	151.5	-97.5	167.1	-170.7	-172.7	0	109.6	N329	N329-K331 PolarHBondContact O-N 3.02Å
332	R	42.5	Very low	73	Confident	264 Å²	264	119.8 Å²	119.8	100%	0.996	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-76.4	119	177.4	-77.4	179	155.8	-178.6	-7.7	110.4
333	K	43.3	Very low	73	Confident	204 Å²	204	121.6 Å²	121.6	89%	0.887	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-91.6	139.4	164.5	-87.5	-176.4	171.2	-175.4	0	109.1
334	R	47.4	Very low	73	Confident	253 Å²	253	120 Å²	120	96%	0.955	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-59.2	137.1	171.4	-86.9	-179	171	-173.5	-3.4	109.3
335	Q	45.4	Very low	73.3	Confident	188 Å²	188	119 Å²	119	88%	0.879	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-84.6	123.1	178.5	-154.5	167.5	-1.9	0	0	107.5
336	E	64.4	Low	73.3	Confident	142 Å²	142	114.5 Å²	114.5	66%	0.664	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-58.1	138.1	178.6	-70.9	173.9	175.4	0	0	110.2	E340	E336-E340 WeakPolarHBondContact CA-OE2 3.22Å
337	T	80.2	Confident	73.1	Confident	68 Å²	68	118.4 Å²	118.4	42%	0.417	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-78.7	154.3	-179.4	63.1	0	0	0	0	110.7	C339 E340	T337-C339 PolarHBondContact O-N 3.28Å; T337-C339 VanDerWaalsContact O-N 3.07Å; T337-E340 PolarHBondContact N-OE2 2.84Å; T337-E340 WeakPolarHBondContact O-CB 3.33Å; T337-E340 PolarHBondContact O-N 3.09Å; T337-E340 WeakPolarHBondContact OG1-CG 3.15Å; T337-E340 PolarHBondContact OG1-OE2 2.85Å
338	P	88.3	Confident	73.1	Confident	36 Å²	36	118.8 Å²	118.8	23%	0.234	58%	0.576	C	S	.	*	G	3₁₀ helix	trans	-48.1	-38.4	174.6	-30	34.8	0	0	0	113.4	E340 L341 E376 N377 F379	P338-E340 PolarHBondContact O-N 2.9Å; P338-L341 PolarHBondContact O-N 2.82Å; P338-E376 HydrophobicContact CB-CB 3.83Å; P338-E376 HydrophobicContact CG-CB 3.99Å; P338-N377 WeakPolarHBondContact O-CB 3.28Å; P338-F379 HydrophobicContact CB-CZ 4.37Å
339	C	92	Very high	74.1	Confident	16 Å²	16	119.2 Å²	119.2	11%	0.108	58%	0.577	C	S	.	*	G	3₁₀ helix	trans	-70	-12.3	-179.4	-47.4	0	0	0	0	114.2	T337 Y357 C389	T337-C339 PolarHBondContact O-N 3.28Å; T337-C339 VanDerWaalsContact O-N 3.07Å; C339-Y357 HydrophobicContact CB-CD1 3.99Å; C339-Y357 HydrophobicContact CB-CG 4.3Å; C339-C389 HydrophobicContact CB-CB 3.74Å; C339-C389 WeakPolarHBondContact CB-SG 3.2Å; C339-C389 WeakPolarHBondContact SG-CA 2.95Å; C339-C389 WeakPolarHBondContact SG-CB 3.31Å; C339-C389 CovalentContact SG-SG 2.03Å; C339-C389 PolarHBondContact SG-SG 3.45Å
340	E	88.9	Confident	75.2	Confident	97 Å²	97	118 Å²	118	45%	0.453	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-93.6	-12.1	177	-70.1	173.2	140.6	0	0	113.1	E336 T337 P338	E336-E340 WeakPolarHBondContact CA-OE2 3.22Å; T337-E340 PolarHBondContact N-OE2 2.84Å; T337-E340 WeakPolarHBondContact O-CB 3.33Å; T337-E340 PolarHBondContact O-N 3.09Å; T337-E340 WeakPolarHBondContact OG1-CG 3.15Å; T337-E340 PolarHBondContact OG1-OE2 2.85Å; P338-E340 PolarHBondContact O-N 2.9Å
341	L	90.9	Very high	77.2	Confident	41 Å²	41	113.9 Å²	113.9	22%	0.215	56%	0.557	C	S	.	*	S	Bend	trans	-81.2	152.5	179.3	-55.1	171.1	0	0	0	110.8	P338 N375 E376 N377	P338-L341 PolarHBondContact O-N 2.82Å; L341-N375 HydrophobicContact CD1-CB 4.14Å; L341-E376 HydrophobicContact CD1-CB 3.94Å; L341-N377 HydrophobicContact CB-CB 4.05Å; L341-N377 PolarHBondContact O-ND2 3.06Å
342	P	93.6	Very high	79.1	Confident	95 Å²	95	107.4 Å²	107.4	62%	0.617	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-73.5	162.3	174.8	30.8	-35.3	0	0	0	111.9	D344 N375	P342-D344 PolarHBondContact O-N 3.43Å; P342-N375 PolarHBondContact O-ND2 2.59Å; P342-N375 PolarHBondContact O-OD1 3.26Å
343	A	93.9	Very high	81.5	Confident	39 Å²	39	99.8 Å²	99.8	32%	0.322	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-63.3	124	168.1	0	0	0	0	0	110.1	Y356 F367	A343-Y356 HydrophobicContact CB-CD1 3.71Å; A343-Y356 HydrophobicContact CB-CD2 3.58Å; A343-Y356 HydrophobicContact CB-CE1 3.97Å; A343-Y356 HydrophobicContact CB-CE2 3.84Å; A343-Y356 HydrophobicContact CB-CG 3.49Å; A343-Y356 VanDerWaalsContact CB-CG 3.49Å; A343-F367 HydrophobicContact CB-CB 4.23Å; A343-F367 HydrophobicContact CB-CD1 4.46Å; A343-F367 HydrophobicContact CB-CD2 3.87Å; A343-F367 HydrophobicContact CB-CE2 4.33Å; A343-F367 HydrophobicContact CB-CG 3.94Å
344	D	94.3	Very high	84	Confident	58 Å²	58	92.7 Å²	92.7	31%	0.31	48%	0.476	S	S	.	.			trans	-121.6	106.5	-177.4	-178.1	9.4	0	0	0	111.7	P342 G346 F367 N375	P342-D344 PolarHBondContact O-N 3.43Å; D344-G346 PolarHBondContact O-N 3.09Å; D344-G346 PolarHBondContact OD1-N 3.39Å; D344-F367 WeakPolarHBondContact O-CE2 3.48Å; D344-N375 HydrophobicContact CB-CB 4.19Å; D344-N375 VanDerWaalsContact CB-ND2 3.28Å; D344-N375 WeakPolarHBondContact CB-ND2 3.12Å; D344-N375 PolarHBondContact OD2-N 2.91Å
345	T	93.9	Very high	86.4	Confident	67 Å²	67	83.4 Å²	83.4	41%	0.411	44%	0.441	S	S	.	.			trans	-63.5	-27.1	176.8	-63.1	0	0	0	0	112.1	T368 Y369 G370	T345-T368 WeakPolarHBondContact CB-O 3.34Å; T345-T368 VanDerWaalsContact CG2-O 3.27Å; T345-T368 WeakPolarHBondContact CG2-O 3.31Å; T345-T368 PolarHBondContact OG1-O 3.39Å; T345-Y369 WeakPolarHBondContact O-CD2 3.12Å; T345-G370 VanDerWaalsContact O-CA 3.25Å; T345-G370 WeakPolarHBondContact O-CA 3.46Å; T345-G370 PolarHBondContact O-N 3.23Å
346	G	87.8	Confident	88.8	Confident	19 Å²	19	76.5 Å²	76.5	20%	0.196	41%	0.407	C	S	.	.			trans	65.9	176.3	-171	0	0	0	0	0	113.8	D344 C372 H373	D344-G346 PolarHBondContact O-N 3.09Å; D344-G346 PolarHBondContact OD1-N 3.39Å; G346-C372 WeakPolarHBondContact CA-O 3.04Å; G346-H373 WeakPolarHBondContact CA-O 3.32Å
347	P	87.9	Confident	90.3	Very high	95 Å²	95	71.4 Å²	71.4	62%	0.617	38%	0.382	S	S	*	.	S	Bend	trans	-84.5	-9.9	-170.8	33.6	-35.2	0	0	0	114.3	C372 H373	P347-C372 WeakPolarHBondContact CD-O 3.45Å; P347-H373 HydrophobicContact CG-CB 4.04Å
348	C	87	Confident	90.9	Very high	53 Å²	53	69.9 Å²	69.9	36%	0.358	37%	0.371	S	S	.	.			trans	-77.6	161.3	177.3	-74.8	0	0	0	0	112	G370 C372	C348-G370 CarbonylContact C-O 3.6Å; C348-G370 WeakPolarHBondContact CA-O 3.17Å; C348-G370 WeakPolarHBondContact CB-O 3.47Å; C348-G370 WeakPolarHBondContact O-CA 2.96Å; C348-C372 HydrophobicContact CB-CB 3.84Å; C348-C372 WeakPolarHBondContact CB-SG 3.37Å; C348-C372 PolarHBondContact N-SG 3.25Å; C348-C372 VanDerWaalsContact N-SG 3.44Å; C348-C372 WeakPolarHBondContact SG-CB 3.44Å; C348-C372 CovalentContact SG-SG 2Å; C348-C372 PolarHBondContact SG-SG 2.91Å
349	K	86.2	Confident	90.8	Very high	209 Å²	209	74.9 Å²	74.9	91%	0.909	39%	0.389	S	S	*	.			trans	-113.4	17.2	-172	-61.6	-175.6	178.5	-179	0	114	G370	K349-G370 PolarHBondContact N-O 2.92Å
350	M	79.3	Confident	90.6	Very high	124 Å²	124	77.7 Å²	77.7	61%	0.611	42%	0.421	S	S	*	.			trans	-75.1	140.8	172.2	-165.1	169.8	-76.2	0	0	109.1	M352 G370	M350-M352 HydrophobicContact CG-CG 3.99Å; M350-M352 PolarHBondContact O-N 3.2Å; M350-M352 HydrophobicContact SD-CG 4.09Å; M350-M352 HydrophobicContact SD-SD 4.14Å; M350-G370 WeakPolarHBondContact CA-O 3.2Å; M350-G370 WeakPolarHBondContact CB-O 3.38Å; M350-G370 PolarHBondContact N-O 2.78Å; M350-G370 CarbonylContact O-C 3.53Å; M350-G370 WeakPolarHBondContact O-CA 2.98Å
351	N	87.8	Confident	90.7	Very high	121 Å²	121	75 Å²	75	65%	0.647	41%	0.413	S	S	*	.			trans	-97.9	77.7	-178.5	-156.7	-8.2	0	0	0	109.4	T368	N351-T368 WeakPolarHBondContact OD1-CG2 3.49Å; N351-T368 PolarHBondContact OD1-OG1 3.46Å
352	M	86.7	Confident	90.6	Very high	67 Å²	67	80.5 Å²	80.5	33%	0.33	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.1	176.3	-63.5	-174.8	76	0	0	110.3	M350 R354 Y369	M350-M352 HydrophobicContact CG-CG 3.99Å; M350-M352 PolarHBondContact O-N 3.2Å; M350-M352 HydrophobicContact SD-CG 4.09Å; M350-M352 HydrophobicContact SD-SD 4.14Å; M352-R354 VanDerWaalsContact CE-NH2 3.29Å; M352-R354 PolarHBondContact O-N 2.71Å; M352-Y369 WeakPolarHBondContact CB-O 3.38Å; M352-Y369 PolarHBondContact N-O 2.88Å; M352-Y369 VanDerWaalsContact N-O 3.1Å; M352-Y369 PolarHBondContact O-N 2.7Å; M352-Y369 HydrophobicContact SD-CD1 4.36Å
353	I	92.5	Very high	90.5	Very high	103 Å²	103	82.4 Å²	82.4	53%	0.528	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122.3	171.9	-55	-56.9	0	0	0	108.8	T366	I353-T366 HydrophobicContact CG2-CG2 4.1Å
354	R	96.1	Very high	90.6	Very high	56 Å²	56	81 Å²	81	21%	0.211	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	170.7	176.4	-68	-77.7	-179.8	81.5	-1.9	109	M352 T366 F367 Y369 N378 F379	M352-R354 VanDerWaalsContact CE-NH2 3.29Å; M352-R354 PolarHBondContact O-N 2.71Å; R354-T366 CarbonylContact O-C 3.58Å; R354-T366 VanDerWaalsContact O-CA 3.28Å; R354-T366 WeakPolarHBondContact O-CA 3.17Å; R354-F367 HydrophobicContact CB-CD1 3.98Å; R354-F367 HydrophobicContact CB-CE1 3.42Å; R354-F367 VanDerWaalsContact CB-CE1 3.42Å; R354-F367 HydrophobicContact CB-CZ 3.93Å; R354-F367 PolarHBondContact N-O 3.47Å; R354-F367 WeakPolarHBondContact O-CD1 3.23Å; R354-F367 PolarHBondContact O-N 2.81Å; R354-Y369 HydrophobicContact CG-CD1 4.3Å; R354-Y369 HydrophobicContact CG-CG 4.26Å; R354-N378 VanDerWaalsContact CB-OD1 3.24Å; R354-N378 WeakPolarHBondContact CB-OD1 3.31Å; R354-N378 WeakPolarHBondContact CD-OD1 3.22Å; R354-N378 WeakPolarHBondContact CG-OD1 2.91Å; R354-N378 PolarHBondContact NH1-ND2 2.84Å; R354-N378 PolarHBondContact NH1-OD1 3.36Å; R354-F379 WeakPolarHBondContact CD-O 3.32Å
355	Y	97	Very high	90.7	Very high	58 Å²	58	82.3 Å²	82.3	23%	0.227	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.6	178.3	-57.2	-96.2	0	0	0	109.6	K365 T366 F379 S381 M382	Y355-K365 CarbonylContact C-O 3.53Å; Y355-K365 VanDerWaalsContact CA-O 3.27Å; Y355-K365 WeakPolarHBondContact CA-O 3.21Å; Y355-T366 HydrophobicContact CD1-CG2 3.72Å; Y355-T366 HydrophobicContact CE1-CG2 3.43Å; Y355-T366 VanDerWaalsContact CE1-CG2 3.43Å; Y355-F379 PolarHBondContact N-O 3.34Å; Y355-F379 WeakPolarHBondContact O-CD2 3.49Å; Y355-F379 PolarHBondContact O-N 3.25Å; Y355-S381 VanDerWaalsContact CD2-CA 3.5Å; Y355-M382 HydrophobicContact CD1-CB 3.88Å; Y355-M382 HydrophobicContact CD1-CE 3.67Å; Y355-M382 HydrophobicContact CD1-CG 4.34Å; Y355-M382 HydrophobicContact CD1-SD 3.49Å; Y355-M382 WeakPolarHBondContact CD1-SD 3.29Å; Y355-M382 HydrophobicContact CE1-CB 3.75Å; Y355-M382 HydrophobicContact CE1-CE 3.6Å; Y355-M382 HydrophobicContact CE1-CG 4.42Å; Y355-M382 HydrophobicContact CE1-SD 3.93Å; Y355-M382 HydrophobicContact CG-CB 4.41Å; Y355-M382 HydrophobicContact CG-SD 4.41Å
356	Y	95.8	Very high	90.7	Very high	42 Å²	42	83 Å²	83	17%	0.165	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.4	173.6	79.1	-77.5	0	0	0	108.8	A343 D358 C364 K365 F367 N377 C385	A343-Y356 HydrophobicContact CB-CD1 3.71Å; A343-Y356 HydrophobicContact CB-CD2 3.58Å; A343-Y356 HydrophobicContact CB-CE1 3.97Å; A343-Y356 HydrophobicContact CB-CE2 3.84Å; A343-Y356 HydrophobicContact CB-CG 3.49Å; A343-Y356 VanDerWaalsContact CB-CG 3.49Å; Y356-D358 HydrophobicContact CD2-CB 4.39Å; Y356-D358 HydrophobicContact CE2-CB 3.65Å; Y356-D358 PolarHBondContact O-N 2.72Å; Y356-C364 CarbonylContact O-C 3.49Å; Y356-C364 WeakPolarHBondContact O-CA 3.18Å; Y356-K365 HydrophobicContact CD1-CB 4.21Å; Y356-K365 VanDerWaalsContact CD1-O 3.28Å; Y356-K365 WeakPolarHBondContact CD1-O 3.42Å; Y356-K365 HydrophobicContact CE1-CB 3.62Å; Y356-K365 PolarHBondContact N-O 2.78Å; Y356-K365 PolarHBondContact O-N 3.38Å; Y356-F367 HydrophobicContact CD1-CB 3.82Å; Y356-F367 AromaticContact CD1-CD1 3.67Å; Y356-F367 HydrophobicContact CD1-CD1 3.67Å; Y356-F367 AromaticContact CD1-CG 3.97Å; Y356-F367 HydrophobicContact CD1-CG 3.97Å; Y356-F367 HydrophobicContact CE1-CB 3.99Å; Y356-F367 HydrophobicContact CG-CD1 4.2Å; Y356-N377 VanDerWaalsContact CA-OD1 3.31Å; Y356-N377 WeakPolarHBondContact CA-OD1 3.2Å; Y356-N377 WeakPolarHBondContact CB-O 3.19Å; Y356-C385 VanDerWaalsContact C-SG 3.56Å
357	Y	95.7	Very high	91.1	Very high	35 Å²	35	83.1 Å²	83.1	14%	0.137	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.6	172.8	-172.9	-103.3	0	0	0	109.7	C339 K359 K362 N377 C389 E390	C339-Y357 HydrophobicContact CB-CD1 3.99Å; C339-Y357 HydrophobicContact CB-CG 4.3Å; Y357-K359 PolarHBondContact O-N 2.74Å; Y357-K362 WeakPolarHBondContact OH-CA 3.41Å; Y357-N377 PolarHBondContact N-ND2 3.41Å; Y357-N377 PolarHBondContact N-OD1 3.3Å; Y357-N377 PolarHBondContact O-ND2 3.09Å; Y357-C389 VanDerWaalsContact CB-SG 3.52Å; Y357-C389 HydrophobicContact CD1-CB 4.09Å; Y357-C389 HydrophobicContact CD2-CB 3.27Å; Y357-C389 HydrophobicContact CE2-CB 3.81Å; Y357-C389 HydrophobicContact CG-CB 3.41Å; Y357-C389 VanDerWaalsContact CG-CB 3.41Å; Y357-E390 HydrophobicContact CE2-CG 3.95Å
358	D	93.4	Very high	91.4	Very high	36 Å²	36	81.3 Å²	81.3	19%	0.193	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	102.8	176	174	50.4	0	0	0	110	Y356 G360 S361 K362 K363 K365	Y356-D358 HydrophobicContact CD2-CB 4.39Å; Y356-D358 HydrophobicContact CE2-CB 3.65Å; Y356-D358 PolarHBondContact O-N 2.72Å; D358-G360 PolarHBondContact O-N 3.45Å; D358-S361 PolarHBondContact O-N 2.93Å; D358-S361 VanDerWaalsContact O-N 3.13Å; D358-S361 WeakPolarHBondContact OD2-CB 3.03Å; D358-S361 PolarHBondContact OD2-N 3.32Å; D358-S361 PolarHBondContact OD2-OG 2.73Å; D358-K362 WeakPolarHBondContact O-CA 3.25Å; D358-K362 PolarHBondContact O-N 2.89Å; D358-K363 PolarHBondContact N-O 3.42Å; D358-K365 HydrophobicContact CB-CD 3.76Å; D358-K365 HydrophobicContact CB-CG 4.21Å; D358-K365 WeakPolarHBondContact OD2-CE 3.46Å; D358-K365 IonicContact OD2-NZ 2.68Å; D358-K365 PolarHBondContact OD2-NZ 2.03Å
359	K	86.4	Confident	91.6	Very high	141 Å²	141	80.1 Å²	80.1	61%	0.613	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-29.7	179.2	-168.3	175.6	-175.5	168.4	0	113.3	Y357	Y357-K359 PolarHBondContact O-N 2.74Å
360	G	87.3	Confident	91.8	Very high	75 Å²	75	70.2 Å²	70.2	77%	0.773	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-43.1	179.1	0	0	0	0	0	113.5	D358	D358-G360 PolarHBondContact O-N 3.45Å
361	S	91	Very high	92.1	Very high	41 Å²	41	65.8 Å²	65.8	29%	0.287	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.4	177.6	63.3	0	0	0	0	114.5	D358 K363 K365	D358-S361 PolarHBondContact O-N 2.93Å; D358-S361 VanDerWaalsContact O-N 3.13Å; D358-S361 WeakPolarHBondContact OD2-CB 3.03Å; D358-S361 PolarHBondContact OD2-N 3.32Å; D358-S361 PolarHBondContact OD2-OG 2.73Å; S361-K363 PolarHBondContact O-N 3.31Å; S361-K365 WeakPolarHBondContact OG-CE 2.96Å; S361-K365 PolarHBondContact OG-NZ 2.76Å
362	K	88.5	Confident	92	Very high	156 Å²	156	61.4 Å²	61.4	68%	0.678	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	32.5	-172.1	-58.9	-174.6	175.5	-171.7	0	113.1	Y357 D358	Y357-K362 WeakPolarHBondContact OH-CA 3.41Å; D358-K362 WeakPolarHBondContact O-CA 3.25Å; D358-K362 PolarHBondContact O-N 2.89Å
363	K	92	Very high	92	Very high	135 Å²	135	65.1 Å²	65.1	59%	0.587	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.5	-177.3	-70	-175.4	178.9	-169.9	0	110.2	D358 S361	D358-K363 PolarHBondContact N-O 3.42Å; S361-K363 PolarHBondContact O-N 3.31Å
364	C	95.8	Very high	91.6	Very high	11 Å²	11	61.5 Å²	61.5	7%	0.074	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.3	166.4	-70	0	0	0	0	111.4	Y356 M382 C385 E386	Y356-C364 CarbonylContact O-C 3.49Å; Y356-C364 WeakPolarHBondContact O-CA 3.18Å; C364-M382 HydrophobicContact CB-SD 3.37Å; C364-M382 WeakPolarHBondContact CB-SD 3.39Å; C364-C385 HydrophobicContact CB-CB 3.7Å; C364-C385 WeakPolarHBondContact CB-SG 3.22Å; C364-C385 WeakPolarHBondContact SG-CB 3.39Å; C364-C385 CovalentContact SG-SG 2.02Å; C364-C385 PolarHBondContact SG-SG 3.39Å; C364-E386 HydrophobicContact CB-CG 4.18Å; C364-E386 PolarHBondContact SG-N 2.02Å; C364-E386 VanDerWaalsContact SG-N 3.38Å
365	K	95.8	Very high	91.4	Very high	84 Å²	84	60.6 Å²	60.6	37%	0.365	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.7	179.3	-72.1	-178.5	177.9	163.9	0	110.1	Y355 Y356 D358 S361	Y355-K365 CarbonylContact C-O 3.53Å; Y355-K365 VanDerWaalsContact CA-O 3.27Å; Y355-K365 WeakPolarHBondContact CA-O 3.21Å; Y356-K365 HydrophobicContact CD1-CB 4.21Å; Y356-K365 VanDerWaalsContact CD1-O 3.28Å; Y356-K365 WeakPolarHBondContact CD1-O 3.42Å; Y356-K365 HydrophobicContact CE1-CB 3.62Å; Y356-K365 PolarHBondContact N-O 2.78Å; Y356-K365 PolarHBondContact O-N 3.38Å; D358-K365 HydrophobicContact CB-CD 3.76Å; D358-K365 HydrophobicContact CB-CG 4.21Å; D358-K365 WeakPolarHBondContact OD2-CE 3.46Å; D358-K365 IonicContact OD2-NZ 2.68Å; D358-K365 PolarHBondContact OD2-NZ 2.03Å; S361-K365 WeakPolarHBondContact OG-CE 2.96Å; S361-K365 PolarHBondContact OG-NZ 2.76Å
366	T	95.4	Very high	91.2	Very high	82 Å²	82	64.2 Å²	64.2	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	149.7	173.9	53	0	0	0	0	111.6	I353 R354 Y355	I353-T366 HydrophobicContact CG2-CG2 4.1Å; R354-T366 CarbonylContact O-C 3.58Å; R354-T366 VanDerWaalsContact O-CA 3.28Å; R354-T366 WeakPolarHBondContact O-CA 3.17Å; Y355-T366 HydrophobicContact CD1-CG2 3.72Å; Y355-T366 HydrophobicContact CE1-CG2 3.43Å; Y355-T366 VanDerWaalsContact CE1-CG2 3.43Å
367	F	95.7	Very high	91.1	Very high	21 Å²	21	62.2 Å²	62.2	9%	0.092	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.5	168	78.6	-66.9	0	0	0	110.7	A343 D344 R354 Y356 N378	A343-F367 HydrophobicContact CB-CB 4.23Å; A343-F367 HydrophobicContact CB-CD1 4.46Å; A343-F367 HydrophobicContact CB-CD2 3.87Å; A343-F367 HydrophobicContact CB-CE2 4.33Å; A343-F367 HydrophobicContact CB-CG 3.94Å; D344-F367 WeakPolarHBondContact O-CE2 3.48Å; R354-F367 HydrophobicContact CB-CD1 3.98Å; R354-F367 HydrophobicContact CB-CE1 3.42Å; R354-F367 VanDerWaalsContact CB-CE1 3.42Å; R354-F367 HydrophobicContact CB-CZ 3.93Å; R354-F367 PolarHBondContact N-O 3.47Å; R354-F367 WeakPolarHBondContact O-CD1 3.23Å; R354-F367 PolarHBondContact O-N 2.81Å; Y356-F367 HydrophobicContact CD1-CB 3.82Å; Y356-F367 AromaticContact CD1-CD1 3.67Å; Y356-F367 HydrophobicContact CD1-CD1 3.67Å; Y356-F367 AromaticContact CD1-CG 3.97Å; Y356-F367 HydrophobicContact CD1-CG 3.97Å; Y356-F367 HydrophobicContact CE1-CB 3.99Å; Y356-F367 HydrophobicContact CG-CD1 4.2Å; F367-N378 HydrophobicContact CE1-CB 4.45Å; F367-N378 HydrophobicContact CZ-CB 3.95Å
368	T	93.7	Very high	91.1	Very high	57 Å²	57	61.9 Å²	61.9	35%	0.35	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.6	173.2	-66	0	0	0	0	109.7	T345 N351	T345-T368 WeakPolarHBondContact CB-O 3.34Å; T345-T368 VanDerWaalsContact CG2-O 3.27Å; T345-T368 WeakPolarHBondContact CG2-O 3.31Å; T345-T368 PolarHBondContact OG1-O 3.39Å; N351-T368 WeakPolarHBondContact OD1-CG2 3.49Å; N351-T368 PolarHBondContact OD1-OG1 3.46Å
369	Y	92.3	Very high	91.2	Very high	28 Å²	28	60.9 Å²	60.9	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.7	168	178.8	-125	0	0	0	110.3	T345 M352 R354 G371 C372 H373 N378	T345-Y369 WeakPolarHBondContact O-CD2 3.12Å; M352-Y369 WeakPolarHBondContact CB-O 3.38Å; M352-Y369 PolarHBondContact N-O 2.88Å; M352-Y369 VanDerWaalsContact N-O 3.1Å; M352-Y369 PolarHBondContact O-N 2.7Å; M352-Y369 HydrophobicContact SD-CD1 4.36Å; R354-Y369 HydrophobicContact CG-CD1 4.3Å; R354-Y369 HydrophobicContact CG-CG 4.26Å; Y369-G371 PolarHBondContact O-N 2.76Å; Y369-G371 VanDerWaalsContact O-N 3.12Å; Y369-C372 WeakPolarHBondContact OH-CA 3.36Å; Y369-C372 PolarHBondContact OH-N 3.21Å; Y369-H373 PolarHBondContact OH-N 2.95Å; Y369-N378 WeakPolarHBondContact CD2-ND2 3.01Å; Y369-N378 WeakPolarHBondContact CE2-ND2 3.49Å; Y369-N378 VanDerWaalsContact CG-ND2 3.34Å
370	G	90.7	Very high	91.5	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.01	33%	0.331	C	S	.	.			trans	-64	-12.8	-177.4	0	0	0	0	0	114.8	T345 C348 K349 M350	T345-G370 VanDerWaalsContact O-CA 3.25Å; T345-G370 WeakPolarHBondContact O-CA 3.46Å; T345-G370 PolarHBondContact O-N 3.23Å; C348-G370 CarbonylContact C-O 3.6Å; C348-G370 WeakPolarHBondContact CA-O 3.17Å; C348-G370 WeakPolarHBondContact CB-O 3.47Å; C348-G370 WeakPolarHBondContact O-CA 2.96Å; K349-G370 PolarHBondContact N-O 2.92Å; M350-G370 WeakPolarHBondContact CA-O 3.2Å; M350-G370 WeakPolarHBondContact CB-O 3.38Å; M350-G370 PolarHBondContact N-O 2.78Å; M350-G370 CarbonylContact O-C 3.53Å; M350-G370 WeakPolarHBondContact O-CA 2.98Å
371	G	85.4	Confident	91.7	Very high	32 Å²	32	58.8 Å²	58.8	33%	0.33	31%	0.308	S	S	.	.	S	Bend	trans	96.5	-3.2	180	0	0	0	0	0	115	Y369	Y369-G371 PolarHBondContact O-N 2.76Å; Y369-G371 VanDerWaalsContact O-N 3.12Å
372	C	85.3	Confident	91.8	Very high	28 Å²	28	59.9 Å²	59.9	19%	0.189	31%	0.309	C	S	.	.	S	Bend	trans	-155.6	159.3	172.3	74.6	0	0	0	0	112.3	G346 P347 C348 Y369 G374	G346-C372 WeakPolarHBondContact CA-O 3.04Å; P347-C372 WeakPolarHBondContact CD-O 3.45Å; C348-C372 HydrophobicContact CB-CB 3.84Å; C348-C372 WeakPolarHBondContact CB-SG 3.37Å; C348-C372 PolarHBondContact N-SG 3.25Å; C348-C372 VanDerWaalsContact N-SG 3.44Å; C348-C372 WeakPolarHBondContact SG-CB 3.44Å; C348-C372 CovalentContact SG-SG 2Å; C348-C372 PolarHBondContact SG-SG 2.91Å; Y369-C372 WeakPolarHBondContact OH-CA 3.36Å; Y369-C372 PolarHBondContact OH-N 3.21Å; C372-G374 VanDerWaalsContact C-N 3.33Å; C372-G374 PolarHBondContact O-N 3.32Å
373	H	86	Confident	91.9	Very high	146 Å²	146	59.6 Å²	59.6	68%	0.676	31%	0.31	S	S	*	.	S	Bend	trans	44.4	41.4	176.4	-46.3	-86.6	0	0	0	116.9	G346 P347 Y369	G346-H373 WeakPolarHBondContact CA-O 3.32Å; P347-H373 HydrophobicContact CG-CB 4.04Å; Y369-H373 PolarHBondContact OH-N 2.95Å
374	G	84.5	Confident	91.9	Very high	27 Å²	27	57.7 Å²	57.7	28%	0.278	30%	0.302	S	S	.	.			trans	-86.6	174.7	164.2	0	0	0	0	0	111.7	C372	C372-G374 VanDerWaalsContact C-N 3.33Å; C372-G374 PolarHBondContact O-N 3.32Å
375	N	91.7	Very high	91.9	Very high	37 Å²	37	57.2 Å²	57.2	20%	0.198	30%	0.299	C	S	.	.			trans	-96	-177.7	176.2	72.5	36	0	0	0	112.7	L341 P342 D344 N377 N378	L341-N375 HydrophobicContact CD1-CB 4.14Å; P342-N375 PolarHBondContact O-ND2 2.59Å; P342-N375 PolarHBondContact O-OD1 3.26Å; D344-N375 HydrophobicContact CB-CB 4.19Å; D344-N375 VanDerWaalsContact CB-ND2 3.28Å; D344-N375 WeakPolarHBondContact CB-ND2 3.12Å; D344-N375 PolarHBondContact OD2-N 2.91Å; N375-N377 VanDerWaalsContact C-N 3.31Å; N375-N377 PolarHBondContact O-N 2.02Å; N375-N377 PolarHBondContact OD1-N 3.28Å; N375-N378 VanDerWaalsContact O-CB 3.22Å; N375-N378 WeakPolarHBondContact O-CB 3.44Å
376	E	92.7	Very high	91.8	Very high	134 Å²	134	57 Å²	57	63%	0.626	30%	0.299	S	S	*	.	S	Bend	trans	-74.1	-12.2	-173.7	-62	-175	166.2	0	0	114.5	P338 L341 N378	P338-E376 HydrophobicContact CB-CB 3.83Å; P338-E376 HydrophobicContact CG-CB 3.99Å; L341-E376 HydrophobicContact CD1-CB 3.94Å; E376-N378 PolarHBondContact O-N 3.44Å
377	N	94.3	Very high	91.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.			trans	-78	56.3	171.1	-156.8	-0.8	0	0	0	111.1	P338 L341 Y356 Y357 N375 F379	P338-N377 WeakPolarHBondContact O-CB 3.28Å; L341-N377 HydrophobicContact CB-CB 4.05Å; L341-N377 PolarHBondContact O-ND2 3.06Å; Y356-N377 VanDerWaalsContact CA-OD1 3.31Å; Y356-N377 WeakPolarHBondContact CA-OD1 3.2Å; Y356-N377 WeakPolarHBondContact CB-O 3.19Å; Y357-N377 PolarHBondContact N-ND2 3.41Å; Y357-N377 PolarHBondContact N-OD1 3.3Å; Y357-N377 PolarHBondContact O-ND2 3.09Å; N375-N377 VanDerWaalsContact C-N 3.31Å; N375-N377 PolarHBondContact O-N 2.02Å; N375-N377 PolarHBondContact OD1-N 3.28Å; N377-F379 VanDerWaalsContact OD1-CE2 3.28Å; N377-F379 WeakPolarHBondContact OD1-CE2 3.4Å
378	N	95.6	Very high	91.2	Very high	28 Å²	28	58.5 Å²	58.5	15%	0.15	32%	0.317	C	S	.	.			trans	-146.5	81.7	-169.1	-176.1	-11.4	0	0	0	109.2	R354 F367 Y369 N375 E376	R354-N378 VanDerWaalsContact CB-OD1 3.24Å; R354-N378 WeakPolarHBondContact CB-OD1 3.31Å; R354-N378 WeakPolarHBondContact CD-OD1 3.22Å; R354-N378 WeakPolarHBondContact CG-OD1 2.91Å; R354-N378 PolarHBondContact NH1-ND2 2.84Å; R354-N378 PolarHBondContact NH1-OD1 3.36Å; F367-N378 HydrophobicContact CE1-CB 4.45Å; F367-N378 HydrophobicContact CZ-CB 3.95Å; Y369-N378 WeakPolarHBondContact CD2-ND2 3.01Å; Y369-N378 WeakPolarHBondContact CE2-ND2 3.49Å; Y369-N378 VanDerWaalsContact CG-ND2 3.34Å; N375-N378 VanDerWaalsContact O-CB 3.22Å; N375-N378 WeakPolarHBondContact O-CB 3.44Å; E376-N378 PolarHBondContact O-N 3.44Å
379	F	95	Very high	91	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-92	143.3	-177.4	-56.1	-79.5	0	0	0	111.5	P338 R354 Y355 N377 K384 C385 T388 C389	P338-F379 HydrophobicContact CB-CZ 4.37Å; R354-F379 WeakPolarHBondContact CD-O 3.32Å; Y355-F379 PolarHBondContact N-O 3.34Å; Y355-F379 WeakPolarHBondContact O-CD2 3.49Å; Y355-F379 PolarHBondContact O-N 3.25Å; N377-F379 VanDerWaalsContact OD1-CE2 3.28Å; N377-F379 WeakPolarHBondContact OD1-CE2 3.4Å; F379-K384 HydrophobicContact CD1-CG 4.16Å; F379-C385 HydrophobicContact CB-CB 3.73Å; F379-C385 HydrophobicContact CD1-CB 4.43Å; F379-C385 HydrophobicContact CD2-CB 3.42Å; F379-C385 VanDerWaalsContact CD2-CB 3.42Å; F379-C385 WeakPolarHBondContact CD2-SG 3.38Å; F379-C385 HydrophobicContact CE2-CB 4.11Å; F379-C385 HydrophobicContact CG-CB 3.61Å; F379-T388 HydrophobicContact CE1-CG2 3.72Å; F379-T388 HydrophobicContact CZ-CG2 3.9Å; F379-C389 VanDerWaalsContact CZ-SG 3.52Å
380	E	92.2	Very high	90.4	Very high	130 Å²	130	59.3 Å²	59.3	61%	0.607	32%	0.319	S	S	*	.	S	Bend	trans	-77.5	-22.4	-178.6	70.1	-162.8	152	0	0	113.8	K384	E380-K384 HydrophobicContact CG-CD 3.9Å; E380-K384 VanDerWaalsContact OE1-CD 3.31Å; E380-K384 WeakPolarHBondContact OE1-CD 2.87Å; E380-K384 IonicContact OE1-NZ 2.71Å; E380-K384 PolarHBondContact OE1-NZ 2.74Å
381	S	92.5	Very high	88.8	Confident	42 Å²	42	67.6 Å²	67.6	29%	0.294	36%	0.358	S	S	.	.	S	Bend	trans	-140.8	156.9	177.5	69.5	0	0	0	0	110.6	Y355 E383 K384 C385	Y355-S381 VanDerWaalsContact CD2-CA 3.5Å; S381-E383 VanDerWaalsContact C-N 3.32Å; S381-K384 PolarHBondContact O-N 2.81Å; S381-K384 WeakPolarHBondContact OG-CB 2.96Å; S381-K384 PolarHBondContact OG-N 2.79Å; S381-K384 VanDerWaalsContact OG-N 3.13Å; S381-C385 PolarHBondContact O-N 2.99Å
382	M	93.5	Very high	87.1	Confident	63 Å²	63	69.4 Å²	69.4	31%	0.31	38%	0.376	S	S	.	.	H	α-helix	trans	-57.6	-48	172.8	-169.5	72	88.1	0	0	110.4	Y355 C364 K384 C385 E386	Y355-M382 HydrophobicContact CD1-CB 3.88Å; Y355-M382 HydrophobicContact CD1-CE 3.67Å; Y355-M382 HydrophobicContact CD1-CG 4.34Å; Y355-M382 HydrophobicContact CD1-SD 3.49Å; Y355-M382 WeakPolarHBondContact CD1-SD 3.29Å; Y355-M382 HydrophobicContact CE1-CB 3.75Å; Y355-M382 HydrophobicContact CE1-CE 3.6Å; Y355-M382 HydrophobicContact CE1-CG 4.42Å; Y355-M382 HydrophobicContact CE1-SD 3.93Å; Y355-M382 HydrophobicContact CG-CB 4.41Å; Y355-M382 HydrophobicContact CG-SD 4.41Å; C364-M382 HydrophobicContact CB-SD 3.37Å; C364-M382 WeakPolarHBondContact CB-SD 3.39Å; M382-K384 VanDerWaalsContact C-N 3.27Å; M382-K384 PolarHBondContact O-N 3.49Å; M382-C385 CarbonylContact O-C 3.52Å; M382-C385 WeakPolarHBondContact O-CA 3.24Å; M382-C385 WeakPolarHBondContact O-CB 2.97Å; M382-C385 PolarHBondContact O-N 2.72Å; M382-E386 HydrophobicContact CG-CG 4.14Å; M382-E386 WeakPolarHBondContact CG-OE1 3.31Å; M382-E386 WeakPolarHBondContact O-CG 2.98Å; M382-E386 PolarHBondContact O-N 2.81Å
383	E	89.8	Confident	85.1	Confident	150 Å²	150	77.5 Å²	77.5	70%	0.701	41%	0.411	S	S	*	.	H	α-helix	trans	-55.2	-39.9	179.6	-172.2	-178.9	179.6	0	0	112.4	S381 A387	S381-E383 VanDerWaalsContact C-N 3.32Å; E383-A387 WeakPolarHBondContact O-CB 3.45Å; E383-A387 PolarHBondContact O-N 2.72Å
384	K	92.4	Very high	82.8	Confident	96 Å²	96	79.7 Å²	79.7	42%	0.417	42%	0.422	S	S	.	.	H	α-helix	trans	-70.2	-36.1	177	-165.8	176.5	-168.3	172.8	0	112.2	F379 E380 S381 M382 T388	F379-K384 HydrophobicContact CD1-CG 4.16Å; E380-K384 HydrophobicContact CG-CD 3.9Å; E380-K384 VanDerWaalsContact OE1-CD 3.31Å; E380-K384 WeakPolarHBondContact OE1-CD 2.87Å; E380-K384 IonicContact OE1-NZ 2.71Å; E380-K384 PolarHBondContact OE1-NZ 2.74Å; S381-K384 PolarHBondContact O-N 2.81Å; S381-K384 WeakPolarHBondContact OG-CB 2.96Å; S381-K384 PolarHBondContact OG-N 2.79Å; S381-K384 VanDerWaalsContact OG-N 3.13Å; M382-K384 VanDerWaalsContact C-N 3.27Å; M382-K384 PolarHBondContact O-N 3.49Å; K384-T388 VanDerWaalsContact O-CB 3.25Å; K384-T388 WeakPolarHBondContact O-CB 3.47Å; K384-T388 PolarHBondContact O-N 2.84Å; K384-T388 VanDerWaalsContact O-N 3.13Å; K384-T388 PolarHBondContact O-OG1 2.02Å
385	C	94.8	Very high	80.5	Confident	0 Å²	0	88.5 Å²	88.5	0%	0	45%	0.452	C	S	.	.	H	α-helix	trans	-65.7	-49.1	174.2	-178.6	0	0	0	0	110.8	Y356 C364 F379 S381 M382 T388 C389	Y356-C385 VanDerWaalsContact C-SG 3.56Å; C364-C385 HydrophobicContact CB-CB 3.7Å; C364-C385 WeakPolarHBondContact CB-SG 3.22Å; C364-C385 WeakPolarHBondContact SG-CB 3.39Å; C364-C385 CovalentContact SG-SG 2.02Å; C364-C385 PolarHBondContact SG-SG 3.39Å; F379-C385 HydrophobicContact CB-CB 3.73Å; F379-C385 HydrophobicContact CD1-CB 4.43Å; F379-C385 HydrophobicContact CD2-CB 3.42Å; F379-C385 VanDerWaalsContact CD2-CB 3.42Å; F379-C385 WeakPolarHBondContact CD2-SG 3.38Å; F379-C385 HydrophobicContact CE2-CB 4.11Å; F379-C385 HydrophobicContact CG-CB 3.61Å; S381-C385 PolarHBondContact O-N 2.99Å; M382-C385 CarbonylContact O-C 3.52Å; M382-C385 WeakPolarHBondContact O-CA 3.24Å; M382-C385 WeakPolarHBondContact O-CB 2.97Å; M382-C385 PolarHBondContact O-N 2.72Å; C385-T388 PolarHBondContact O-N 3.08Å; C385-C389 WeakPolarHBondContact O-CB 3.3Å; C385-C389 PolarHBondContact O-N 3.35Å
386	E	93.5	Very high	78	Confident	79 Å²	79	96.1 Å²	96.1	37%	0.369	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-49.7	-179.5	-66.3	175.5	163.6	0	0	110.6	C364 M382 T388 C389 E390	C364-E386 HydrophobicContact CB-CG 4.18Å; C364-E386 PolarHBondContact SG-N 2.02Å; C364-E386 VanDerWaalsContact SG-N 3.38Å; M382-E386 HydrophobicContact CG-CG 4.14Å; M382-E386 WeakPolarHBondContact CG-OE1 3.31Å; M382-E386 WeakPolarHBondContact O-CG 2.98Å; M382-E386 PolarHBondContact O-N 2.81Å; E386-T388 PolarHBondContact O-N 3.2Å; E386-C389 PolarHBondContact O-N 3.16Å; E386-E390 HydrophobicContact CB-CG 4.38Å; E386-E390 WeakPolarHBondContact O-CB 3.31Å; E386-E390 PolarHBondContact O-N 2.89Å
387	A	88.4	Confident	75.2	Confident	62 Å²	62	99.1 Å²	99.1	51%	0.512	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-25.6	177.1	0	0	0	0	0	113.6	E383	E383-A387 WeakPolarHBondContact O-CB 3.45Å; E383-A387 PolarHBondContact O-N 2.72Å
388	T	90.1	Very high	72.3	Confident	74 Å²	74	108.7 Å²	108.7	45%	0.454	55%	0.546	S	S	.	.	H	α-helix	trans	-87.6	-31.2	177.8	-53.7	0	0	0	0	112.5	F379 K384 C385 E386	F379-T388 HydrophobicContact CE1-CG2 3.72Å; F379-T388 HydrophobicContact CZ-CG2 3.9Å; K384-T388 VanDerWaalsContact O-CB 3.25Å; K384-T388 WeakPolarHBondContact O-CB 3.47Å; K384-T388 PolarHBondContact O-N 2.84Å; K384-T388 VanDerWaalsContact O-N 3.13Å; K384-T388 PolarHBondContact O-OG1 2.02Å; C385-T388 PolarHBondContact O-N 3.08Å; E386-T388 PolarHBondContact O-N 3.2Å
389	C	90.6	Very high	69.3	Low	17 Å²	17	116.6 Å²	116.6	12%	0.115	58%	0.582	C	S	.	*	H	α-helix	trans	-122.2	-13.2	-165.7	-58.9	0	0	0	0	116	C339 Y357 F379 C385 E386	C339-C389 HydrophobicContact CB-CB 3.74Å; C339-C389 WeakPolarHBondContact CB-SG 3.2Å; C339-C389 WeakPolarHBondContact SG-CA 2.95Å; C339-C389 WeakPolarHBondContact SG-CB 3.31Å; C339-C389 CovalentContact SG-SG 2.03Å; C339-C389 PolarHBondContact SG-SG 3.45Å; Y357-C389 VanDerWaalsContact CB-SG 3.52Å; Y357-C389 HydrophobicContact CD1-CB 4.09Å; Y357-C389 HydrophobicContact CD2-CB 3.27Å; Y357-C389 HydrophobicContact CE2-CB 3.81Å; Y357-C389 HydrophobicContact CG-CB 3.41Å; Y357-C389 VanDerWaalsContact CG-CB 3.41Å; F379-C389 VanDerWaalsContact CZ-SG 3.52Å; C385-C389 WeakPolarHBondContact O-CB 3.3Å; C385-C389 PolarHBondContact O-N 3.35Å; E386-C389 PolarHBondContact O-N 3.16Å
390	E	78.6	Confident	66.3	Low	85 Å²	85	125.4 Å²	125.4	40%	0.397	62%	0.623	S	S	.	*	S	Bend	trans	-99.6	-10.3	-176	-65.3	-174.2	173.4	0	0	114.5	Y357 E386 G392	Y357-E390 HydrophobicContact CE2-CG 3.95Å; E386-E390 HydrophobicContact CB-CG 4.38Å; E386-E390 WeakPolarHBondContact O-CB 3.31Å; E386-E390 PolarHBondContact O-N 2.89Å; E390-G392 PolarHBondContact O-N 3.42Å
391	E	58.3	Low	63.9	Low	175 Å²	175	122.8 Å²	122.8	82%	0.818	63%	0.631	S	S	*	*			trans	-89.2	44.1	-177.9	-67	-167.1	162.9	0	0	115.8
392	G	49.7	Very low	61.6	Low	70 Å²	70	125.2 Å²	125.2	72%	0.722	65%	0.645	S	S	*	*			trans	-105.9	70.5	-178	0	0	0	0	0	115.9	E390	E390-G392 PolarHBondContact O-N 3.42Å
393	E	42.3	Very low	59.5	Low	197 Å²	197	125.2 Å²	125.2	92%	0.921	65%	0.651	S	S	*	*			trans	-140.5	141.5	159.6	-72.8	-165.6	165.4	0	0	111.9
394	E	38.8	Very low	57.5	Low	192 Å²	192	129.7 Å²	129.7	90%	0.897	66%	0.662	S	S	*	*			trans	-77.5	137	-155.2	-58.8	164.7	156	0	0	116.7
395	K	36.6	Very low	55.6	Low	213 Å²	213	127 Å²	127	93%	0.926	66%	0.657	S	S	*	*			trans	-151.2	135.6	146.5	-75.4	-161.2	179	172.5	0	112.4
396	E	37.8	Very low	53.8	Low	197 Å²	197	130.7 Å²	130.7	92%	0.921	69%	0.688	S	S	*	*			trans	-84.6	150.5	-167.3	-67.7	173.1	139.5	0	0	116.3
397	E	34.6	Very low	52.7	Low	197 Å²	197	132 Å²	132	92%	0.921	69%	0.693	S	S	*	*			trans	9	120.2	165	-63.9	-177.3	159.4	0	0	123.8
398	E	33.4	Very low	52.1	Low	201 Å²	201	133.2 Å²	133.2	94%	0.939	69%	0.694	S	S	*	*			trans	-142.6	127.8	138.2	-146.3	175.7	-162.5	0	0	109.3
399	E	31.7	Very low	51.8	Low	194 Å²	194	131 Å²	131	91%	0.907	68%	0.678	S	S	*	*			trans	-73.5	117.6	-174.6	-73.1	-173.7	131.1	0	0	113.3
400	Q	33.3	Very low	51.5	Low	199 Å²	199	133.1 Å²	133.1	93%	0.93	68%	0.684	S	S	*	*			trans	-177	102.3	132.8	-107.8	174.7	7.2	0	0	113.4
401	G	41.8	Very low	51.6	Low	75 Å²	75	132.4 Å²	132.4	77%	0.773	68%	0.678	S	S	*	*			trans	71.8	97.4	135.1	0	0	0	0	0	120.7
402	P	44.6	Very low	52.5	Low	93 Å²	93	128.1 Å²	128.1	60%	0.604	66%	0.655	S	S	*	*			trans	-101.5	116.3	162.7	33.7	-22.3	0	0	0	109.7	R404	P402-R404 WeakPolarHBondContact O-CG 3.37Å; P402-R404 PolarHBondContact O-N 3.15Å
403	C	48.6	Very low	53.8	Low	64 Å²	64	125.8 Å²	125.8	43%	0.432	63%	0.626	S	S	.	*			trans	42.2	73.6	140.1	-38.5	0	0	0	0	115.4	G425 C427	C403-G425 CarbonylContact C-O 3.23Å; C403-G425 VanDerWaalsContact C-O 3.29Å; C403-G425 VanDerWaalsContact CB-O 3.26Å; C403-G425 WeakPolarHBondContact CB-O 3.24Å; C403-G425 VanDerWaalsContact O-O 3.13Å; C403-C427 VanDerWaalsContact CA-SG 3.6Å; C403-C427 HydrophobicContact CB-CB 3.77Å; C403-C427 WeakPolarHBondContact CB-SG 3.33Å; C403-C427 WeakPolarHBondContact SG-CB 3.49Å; C403-C427 CovalentContact SG-SG 1.99Å; C403-C427 PolarHBondContact SG-SG 2.83Å
404	R	47.9	Very low	55.4	Low	244 Å²	244	123.4 Å²	123.4	92%	0.921	61%	0.612	S	S	*	*			trans	-107.4	21	-179.2	-79	-169.9	178.3	155	1.9	114.7	P402	P402-R404 WeakPolarHBondContact O-CG 3.37Å; P402-R404 PolarHBondContact O-N 3.15Å
405	A	51.9	Low	57.1	Low	38 Å²	38	121.5 Å²	121.5	31%	0.314	61%	0.608	S	S	.	*			trans	-113.9	108.6	179.1	0	0	0	0	0	110.2	F407 G425 G426	A405-F407 HydrophobicContact CB-CD2 4Å; A405-F407 HydrophobicContact CB-CE1 4.4Å; A405-F407 HydrophobicContact CB-CE2 3.21Å; A405-F407 HydrophobicContact CB-CZ 3.46Å; A405-F407 VanDerWaalsContact CB-CZ 3.46Å; A405-F407 WeakPolarHBondContact O-CD2 3.43Å; A405-F407 PolarHBondContact O-N 3.16Å; A405-G425 CarbonylContact O-C 3.53Å; A405-G426 PolarHBondContact O-N 3.45Å; A405-G426 VanDerWaalsContact O-N 3.16Å
406	A	57.4	Low	59.3	Low	79 Å²	79	114.3 Å²	114.3	65%	0.653	58%	0.582	S	S	*	*			trans	-83.5	108.8	172.6	0	0	0	0	0	109.2	I423 Y424	A406-I423 HydrophobicContact CB-CG2 3.76Å; A406-Y424 WeakPolarHBondContact CA-O 3.23Å
407	F	70.2	Confident	61.1	Low	107 Å²	107	112.6 Å²	112.6	47%	0.469	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109	131.4	173.9	-57.4	-77.9	0	0	0	109.4	A405 K409 Y424	A405-F407 HydrophobicContact CB-CD2 4Å; A405-F407 HydrophobicContact CB-CE1 4.4Å; A405-F407 HydrophobicContact CB-CE2 3.21Å; A405-F407 HydrophobicContact CB-CZ 3.46Å; A405-F407 VanDerWaalsContact CB-CZ 3.46Å; A405-F407 WeakPolarHBondContact O-CD2 3.43Å; A405-F407 PolarHBondContact O-N 3.16Å; F407-K409 HydrophobicContact CB-CG 4.3Å; F407-K409 PolarHBondContact O-N 2.93Å; F407-Y424 HydrophobicContact CD2-CD1 4.17Å; F407-Y424 PolarHBondContact N-O 2.93Å; F407-Y424 PolarHBondContact O-N 3.04Å
408	T	76.9	Confident	63	Low	87 Å²	87	109.4 Å²	109.4	53%	0.534	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.8	121.6	165.2	-55.8	0	0	0	0	107.7	T421	T408-T421 HydrophobicContact CG2-CG2 4.09Å
409	K	83.5	Confident	65	Low	27 Å²	27	101.3 Å²	101.3	12%	0.117	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	164.3	175.7	-67.1	-80	-161.3	164.1	0	109.2	F407 T421 F422 Y424 N433 F434 E435	F407-K409 HydrophobicContact CB-CG 4.3Å; F407-K409 PolarHBondContact O-N 2.93Å; K409-T421 CarbonylContact O-C 3.49Å; K409-T421 VanDerWaalsContact O-CA 3.28Å; K409-T421 WeakPolarHBondContact O-CA 3.36Å; K409-F422 HydrophobicContact CB-CD1 4.05Å; K409-F422 HydrophobicContact CB-CE1 3.52Å; K409-F422 HydrophobicContact CB-CZ 3.98Å; K409-F422 PolarHBondContact N-O 3.25Å; K409-F422 WeakPolarHBondContact O-CD1 3.31Å; K409-F422 PolarHBondContact O-N 3.19Å; K409-Y424 HydrophobicContact CG-CD1 4.33Å; K409-Y424 HydrophobicContact CG-CG 4.23Å; K409-N433 WeakPolarHBondContact CB-OD1 3.38Å; K409-N433 WeakPolarHBondContact CD-OD1 3.24Å; K409-N433 WeakPolarHBondContact CG-OD1 3.24Å; K409-F434 CarbonylContact C-O 3.11Å; K409-F434 VanDerWaalsContact CA-O 3.31Å; K409-F434 WeakPolarHBondContact CA-O 3.24Å; K409-F434 WeakPolarHBondContact CB-O 3.34Å; K409-F434 WeakPolarHBondContact CD-O 3.41Å; K409-E435 HydrophobicContact CD-CG 4.04Å; K409-E435 IonicContact NZ-OE1 3.37Å; K409-E435 PolarHBondContact NZ-OE1 2.92Å
410	Y	83.6	Confident	67.5	Low	61 Å²	61	94.9 Å²	94.9	24%	0.239	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.9	176	-57.1	-98.2	0	0	0	110.2	C419 E420 T421 N433 F434 T436 K437	Y410-C419 HydrophobicContact CD1-CB 4.32Å; Y410-E420 CarbonylContact C-O 3.38Å; Y410-E420 VanDerWaalsContact CA-O 3.23Å; Y410-E420 WeakPolarHBondContact CA-O 3.2Å; Y410-T421 HydrophobicContact CD1-CG2 3.74Å; Y410-T421 HydrophobicContact CE1-CG2 3.46Å; Y410-T421 VanDerWaalsContact CE1-CG2 3.46Å; Y410-N433 CarbonylContact O-C 3.47Å; Y410-N433 WeakPolarHBondContact O-CA 3.22Å; Y410-F434 PolarHBondContact N-O 3.01Å; Y410-F434 VanDerWaalsContact O-CD2 3.23Å; Y410-F434 WeakPolarHBondContact O-CD2 3.45Å; Y410-F434 PolarHBondContact O-N 3.12Å; Y410-T436 VanDerWaalsContact CD2-C 3.46Å; Y410-K437 HydrophobicContact CD1-CB 4.31Å; Y410-K437 HydrophobicContact CD1-CG 4.48Å; Y410-K437 HydrophobicContact CE1-CB 4.03Å; Y410-K437 HydrophobicContact CE1-CG 4.37Å
411	Y	79.8	Confident	69.9	Low	71 Å²	71	89.6 Å²	89.6	28%	0.278	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.3	165	78.7	-79.1	0	0	0	108.6	N413 C419 E420 F422 N432	Y411-N413 HydrophobicContact CD2-CB 4.44Å; Y411-N413 HydrophobicContact CE2-CB 3.78Å; Y411-N413 PolarHBondContact O-N 3Å; Y411-C419 CarbonylContact O-C 3.08Å; Y411-C419 WeakPolarHBondContact O-CA 2.95Å; Y411-E420 HydrophobicContact CD1-CB 4.04Å; Y411-E420 WeakPolarHBondContact CD1-O 3.37Å; Y411-E420 HydrophobicContact CE1-CB 3.45Å; Y411-E420 VanDerWaalsContact CE1-CB 3.45Å; Y411-E420 PolarHBondContact N-O 2.82Å; Y411-E420 PolarHBondContact O-N 3.15Å; Y411-E420 PolarHBondContact OH-OE2 3.18Å; Y411-F422 HydrophobicContact CD1-CB 4.23Å; Y411-F422 AromaticContact CD1-CD1 3.99Å; Y411-F422 HydrophobicContact CD1-CD1 3.99Å; Y411-F422 HydrophobicContact CD1-CG 4.42Å; Y411-N432 WeakPolarHBondContact CA-O 3.08Å; Y411-N432 WeakPolarHBondContact CB-O 3.38Å
412	Y	78.3	Confident	71.8	Confident	84 Å²	84	89 Å²	89	33%	0.329	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	111.4	174.2	-175.7	-102.1	0	0	0	107.7	K414 N432	Y412-K414 HydrophobicContact CD1-CG 3.97Å; Y412-K414 HydrophobicContact CE1-CG 4.07Å; Y412-K414 PolarHBondContact O-N 3.29Å; Y412-N432 WeakPolarHBondContact CB-OD1 3.27Å; Y412-N432 PolarHBondContact N-OD1 3.32Å; Y412-N432 PolarHBondContact O-ND2 3.05Å
413	N	77.9	Confident	73.3	Confident	21 Å²	21	90.2 Å²	90.2	11%	0.112	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	109.2	172.6	-177.9	-27.8	0	0	0	108	Y411 D415 T416 K417 Q418 E420	Y411-N413 HydrophobicContact CD2-CB 4.44Å; Y411-N413 HydrophobicContact CE2-CB 3.78Å; Y411-N413 PolarHBondContact O-N 3Å; N413-D415 PolarHBondContact O-N 3.5Å; N413-D415 WeakPolarHBondContact OD1-CA 3.42Å; N413-D415 WeakPolarHBondContact OD1-CB 3.4Å; N413-D415 PolarHBondContact OD1-N 2.89Å; N413-T416 VanDerWaalsContact CB-OG1 3.25Å; N413-T416 WeakPolarHBondContact CB-OG1 3.4Å; N413-T416 VanDerWaalsContact CG-OG1 3.24Å; N413-T416 PolarHBondContact O-N 3.02Å; N413-T416 PolarHBondContact OD1-N 2.59Å; N413-T416 VanDerWaalsContact OD1-N 3.12Å; N413-K417 WeakPolarHBondContact O-CA 3.4Å; N413-K417 PolarHBondContact O-N 2.92Å; N413-Q418 WeakPolarHBondContact CB-O 3.14Å; N413-Q418 PolarHBondContact N-O 3.03Å; N413-E420 HydrophobicContact CB-CG 4.13Å; N413-E420 WeakPolarHBondContact CB-OE1 3.3Å; N413-E420 PolarHBondContact ND2-OE1 2.86Å; N413-E420 PolarHBondContact ND2-OE2 2.77Å; N413-E420 VanDerWaalsContact ND2-OE2 3.08Å
414	K	74.6	Confident	74.5	Confident	148 Å²	148	89.1 Å²	89.1	64%	0.643	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.6	-178.8	-71.8	-171.9	174.6	-173.5	0	112.4	Y412 E443	Y412-K414 HydrophobicContact CD1-CG 3.97Å; Y412-K414 HydrophobicContact CE1-CG 4.07Å; Y412-K414 PolarHBondContact O-N 3.29Å; K414-E443 IonicContact NZ-OE2 2.68Å
415	D	75.5	Confident	75.4	Confident	152 Å²	152	79.3 Å²	79.3	81%	0.813	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-45	-179.2	-59.7	-41.1	0	0	0	111.9	N413 K417	N413-D415 PolarHBondContact O-N 3.5Å; N413-D415 WeakPolarHBondContact OD1-CA 3.42Å; N413-D415 WeakPolarHBondContact OD1-CB 3.4Å; N413-D415 PolarHBondContact OD1-N 2.89Å; D415-K417 VanDerWaalsContact C-N 3.34Å
416	T	82	Confident	75.9	Confident	61 Å²	61	78.9 Å²	78.9	37%	0.374	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.4	-179.3	65.7	0	0	0	0	112.9	N413 Q418 E420	N413-T416 VanDerWaalsContact CB-OG1 3.25Å; N413-T416 WeakPolarHBondContact CB-OG1 3.4Å; N413-T416 VanDerWaalsContact CG-OG1 3.24Å; N413-T416 PolarHBondContact O-N 3.02Å; N413-T416 PolarHBondContact OD1-N 2.59Å; N413-T416 VanDerWaalsContact OD1-N 3.12Å; T416-Q418 WeakPolarHBondContact O-CG 3.32Å; T416-Q418 PolarHBondContact O-N 3.04Å; T416-E420 WeakPolarHBondContact CB-OE1 3.34Å; T416-E420 VanDerWaalsContact CG2-OE1 3.27Å; T416-E420 WeakPolarHBondContact CG2-OE1 3.26Å; T416-E420 PolarHBondContact OG1-OE1 2.77Å
417	K	76	Confident	76.4	Confident	162 Å²	162	77.8 Å²	77.8	70%	0.704	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	31.6	-171.7	-59.1	-172.9	178	-174	0	112.2	N413 D415	N413-K417 WeakPolarHBondContact O-CA 3.4Å; N413-K417 PolarHBondContact O-N 2.92Å; D415-K417 VanDerWaalsContact C-N 3.34Å
418	Q	74.4	Confident	76.1	Confident	130 Å²	130	84.6 Å²	84.6	61%	0.607	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.1	-179.1	-68.9	-178.3	22.2	0	0	110.3	N413 T416 E420	N413-Q418 WeakPolarHBondContact CB-O 3.14Å; N413-Q418 PolarHBondContact N-O 3.03Å; T416-Q418 WeakPolarHBondContact O-CG 3.32Å; T416-Q418 PolarHBondContact O-N 3.04Å; Q418-E420 PolarHBondContact O-N 2.79Å
419	C	76.3	Confident	75.2	Confident	31 Å²	31	82.4 Å²	82.4	21%	0.209	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	114	166.5	-65.2	0	0	0	0	108.5	Y410 Y411 K437	Y410-C419 HydrophobicContact CD1-CB 4.32Å; Y411-C419 CarbonylContact O-C 3.08Å; Y411-C419 WeakPolarHBondContact O-CA 2.95Å; C419-K437 HydrophobicContact CB-CG 4.16Å
420	E	82.4	Confident	74.4	Confident	58 Å²	58	86.6 Å²	86.6	27%	0.271	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.4	177.9	-72.8	176.2	-161	0	0	109.9	Y410 Y411 N413 T416 Q418	Y410-E420 CarbonylContact C-O 3.38Å; Y410-E420 VanDerWaalsContact CA-O 3.23Å; Y410-E420 WeakPolarHBondContact CA-O 3.2Å; Y411-E420 HydrophobicContact CD1-CB 4.04Å; Y411-E420 WeakPolarHBondContact CD1-O 3.37Å; Y411-E420 HydrophobicContact CE1-CB 3.45Å; Y411-E420 VanDerWaalsContact CE1-CB 3.45Å; Y411-E420 PolarHBondContact N-O 2.82Å; Y411-E420 PolarHBondContact O-N 3.15Å; Y411-E420 PolarHBondContact OH-OE2 3.18Å; N413-E420 HydrophobicContact CB-CG 4.13Å; N413-E420 WeakPolarHBondContact CB-OE1 3.3Å; N413-E420 PolarHBondContact ND2-OE1 2.86Å; N413-E420 PolarHBondContact ND2-OE2 2.77Å; N413-E420 VanDerWaalsContact ND2-OE2 3.08Å; T416-E420 WeakPolarHBondContact CB-OE1 3.34Å; T416-E420 VanDerWaalsContact CG2-OE1 3.27Å; T416-E420 WeakPolarHBondContact CG2-OE1 3.26Å; T416-E420 PolarHBondContact OG1-OE1 2.77Å; Q418-E420 PolarHBondContact O-N 2.79Å
421	T	85.2	Confident	73.6	Confident	88 Å²	88	87.7 Å²	87.7	54%	0.54	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.5	179.6	55.1	0	0	0	0	110.9	T408 K409 Y410	T408-T421 HydrophobicContact CG2-CG2 4.09Å; K409-T421 CarbonylContact O-C 3.49Å; K409-T421 VanDerWaalsContact O-CA 3.28Å; K409-T421 WeakPolarHBondContact O-CA 3.36Å; Y410-T421 HydrophobicContact CD1-CG2 3.74Å; Y410-T421 HydrophobicContact CE1-CG2 3.46Å; Y410-T421 VanDerWaalsContact CE1-CG2 3.46Å
422	F	80.6	Confident	73.2	Confident	64 Å²	64	86.7 Å²	86.7	28%	0.281	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	161	167.7	80	-73.7	0	0	0	111.1	K409 Y411 Y424 N433	K409-F422 HydrophobicContact CB-CD1 4.05Å; K409-F422 HydrophobicContact CB-CE1 3.52Å; K409-F422 HydrophobicContact CB-CZ 3.98Å; K409-F422 PolarHBondContact N-O 3.25Å; K409-F422 WeakPolarHBondContact O-CD1 3.31Å; K409-F422 PolarHBondContact O-N 3.19Å; Y411-F422 HydrophobicContact CD1-CB 4.23Å; Y411-F422 AromaticContact CD1-CD1 3.99Å; Y411-F422 HydrophobicContact CD1-CD1 3.99Å; Y411-F422 HydrophobicContact CD1-CG 4.42Å; F422-Y424 HydrophobicContact CE2-CD2 4.07Å; F422-Y424 HydrophobicContact CE2-CG 4.42Å; F422-Y424 HydrophobicContact CZ-CD2 4.29Å; F422-N433 HydrophobicContact CE1-CB 4.2Å; F422-N433 HydrophobicContact CZ-CB 3.92Å; F422-N433 VanDerWaalsContact CZ-CG 3.45Å; F422-N433 WeakPolarHBondContact CZ-OD1 3.28Å
423	I	76.4	Confident	72.9	Confident	117 Å²	117	83.9 Å²	83.9	60%	0.6	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	106.7	174.9	-57.7	-61.9	0	0	0	108.5	A406	A406-I423 HydrophobicContact CB-CG2 3.76Å
424	Y	73.2	Confident	72.9	Confident	41 Å²	41	83.5 Å²	83.5	16%	0.161	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.5	174.8	178.9	-119.6	0	0	0	110	A406 F407 K409 F422 G426 C427 R428 G429 N433	A406-Y424 WeakPolarHBondContact CA-O 3.23Å; F407-Y424 HydrophobicContact CD2-CD1 4.17Å; F407-Y424 PolarHBondContact N-O 2.93Å; F407-Y424 PolarHBondContact O-N 3.04Å; K409-Y424 HydrophobicContact CG-CD1 4.33Å; K409-Y424 HydrophobicContact CG-CG 4.23Å; F422-Y424 HydrophobicContact CE2-CD2 4.07Å; F422-Y424 HydrophobicContact CE2-CG 4.42Å; F422-Y424 HydrophobicContact CZ-CD2 4.29Å; Y424-G426 PolarHBondContact O-N 3.24Å; Y424-G426 VanDerWaalsContact O-N 3.16Å; Y424-C427 WeakPolarHBondContact CE2-O 3.18Å; Y424-C427 WeakPolarHBondContact OH-CA 3.4Å; Y424-C427 PolarHBondContact OH-N 2.8Å; Y424-C427 PolarHBondContact OH-O 3.24Å; Y424-R428 PolarHBondContact OH-N 2.96Å; Y424-G429 VanDerWaalsContact CE2-CA 3.49Å; Y424-G429 PolarHBondContact OH-N 3.45Å; Y424-N433 WeakPolarHBondContact CD2-ND2 3.32Å; Y424-N433 WeakPolarHBondContact CE2-ND2 3.13Å
425	G	67	Low	72.6	Confident	39 Å²	39	82.7 Å²	82.7	40%	0.402	45%	0.447	S	S	.	.			trans	-74.3	6.2	-176.3	0	0	0	0	0	115.9	C403 A405	C403-G425 CarbonylContact C-O 3.23Å; C403-G425 VanDerWaalsContact C-O 3.29Å; C403-G425 VanDerWaalsContact CB-O 3.26Å; C403-G425 WeakPolarHBondContact CB-O 3.24Å; C403-G425 VanDerWaalsContact O-O 3.13Å; A405-G425 CarbonylContact O-C 3.53Å
426	G	63.1	Low	72.2	Confident	28 Å²	28	78.4 Å²	78.4	29%	0.289	43%	0.426	S	S	.	.	S	Bend	trans	89.9	9.1	173.8	0	0	0	0	0	115.6	A405 Y424	A405-G426 PolarHBondContact O-N 3.45Å; A405-G426 VanDerWaalsContact O-N 3.16Å; Y424-G426 PolarHBondContact O-N 3.24Å; Y424-G426 VanDerWaalsContact O-N 3.16Å
427	C	67.4	Low	71.5	Confident	56 Å²	56	82.8 Å²	82.8	38%	0.378	44%	0.44	S	S	.	.	S	Bend	trans	-147	152.7	172.3	-61.7	0	0	0	0	111.6	C403 Y424	C403-C427 VanDerWaalsContact CA-SG 3.6Å; C403-C427 HydrophobicContact CB-CB 3.77Å; C403-C427 WeakPolarHBondContact CB-SG 3.33Å; C403-C427 WeakPolarHBondContact SG-CB 3.49Å; C403-C427 CovalentContact SG-SG 1.99Å; C403-C427 PolarHBondContact SG-SG 2.83Å; Y424-C427 WeakPolarHBondContact CE2-O 3.18Å; Y424-C427 WeakPolarHBondContact OH-CA 3.4Å; Y424-C427 PolarHBondContact OH-N 2.8Å; Y424-C427 PolarHBondContact OH-O 3.24Å
428	R	63.5	Low	70.6	Confident	250 Å²	250	79.5 Å²	79.5	94%	0.943	44%	0.443	S	S	*	.			trans	58.1	53.1	171.1	-56.2	-176.8	179.7	-174.5	-0.2	115	Y424	Y424-R428 PolarHBondContact OH-N 2.96Å
429	G	58.1	Low	69.6	Low	42 Å²	42	77.2 Å²	77.2	43%	0.433	43%	0.433	S	S	.	.			trans	-75.6	149.6	172	0	0	0	0	0	110.8	Y424	Y424-G429 VanDerWaalsContact CE2-CA 3.49Å; Y424-G429 PolarHBondContact OH-N 3.45Å
430	N	67.1	Low	68.2	Low	115 Å²	115	78.8 Å²	78.8	62%	0.615	44%	0.444	S	S	*	.			trans	-101	177.7	168.6	62.1	21.2	0	0	0	110.2	N432 N433	N430-N432 PolarHBondContact O-N 2.73Å; N430-N432 WeakPolarHBondContact OD1-CA 3.14Å; N430-N432 WeakPolarHBondContact OD1-CB 3.25Å; N430-N432 PolarHBondContact OD1-N 3.3Å; N430-N433 VanDerWaalsContact O-CB 3.28Å; N430-N433 WeakPolarHBondContact O-CB 3.48Å; N430-N433 PolarHBondContact O-N 3.02Å
431	A	66.8	Low	66.6	Low	84 Å²	84	79.4 Å²	79.4	69%	0.694	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-8.4	178.3	0	0	0	0	0	114	N433 F434 P441	A431-N433 VanDerWaalsContact C-N 3.33Å; A431-F434 WeakPolarHBondContact O-CE1 3.28Å; A431-F434 WeakPolarHBondContact O-CZ 3.46Å; A431-P441 WeakPolarHBondContact O-CG 3.33Å
432	N	71.7	Confident	64.6	Low	50 Å²	50	81 Å²	81	27%	0.267	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	32.7	177.2	-154.3	19.7	0	0	0	112	Y411 Y412 N430 F434	Y411-N432 WeakPolarHBondContact CA-O 3.08Å; Y411-N432 WeakPolarHBondContact CB-O 3.38Å; Y412-N432 WeakPolarHBondContact CB-OD1 3.27Å; Y412-N432 PolarHBondContact N-OD1 3.32Å; Y412-N432 PolarHBondContact O-ND2 3.05Å; N430-N432 PolarHBondContact O-N 2.73Å; N430-N432 WeakPolarHBondContact OD1-CA 3.14Å; N430-N432 WeakPolarHBondContact OD1-CB 3.25Å; N430-N432 PolarHBondContact OD1-N 3.3Å; N432-F434 WeakPolarHBondContact OD1-CE2 3.05Å; N432-F434 WeakPolarHBondContact OD1-CZ 3.31Å
433	N	71.8	Confident	62.7	Low	25 Å²	25	84.9 Å²	84.9	13%	0.134	48%	0.481	C	S	.	.			trans	-129.5	94.5	-174	-179.6	-0.9	0	0	0	111.1	K409 Y410 F422 Y424 N430 A431	K409-N433 WeakPolarHBondContact CB-OD1 3.38Å; K409-N433 WeakPolarHBondContact CD-OD1 3.24Å; K409-N433 WeakPolarHBondContact CG-OD1 3.24Å; Y410-N433 CarbonylContact O-C 3.47Å; Y410-N433 WeakPolarHBondContact O-CA 3.22Å; F422-N433 HydrophobicContact CE1-CB 4.2Å; F422-N433 HydrophobicContact CZ-CB 3.92Å; F422-N433 VanDerWaalsContact CZ-CG 3.45Å; F422-N433 WeakPolarHBondContact CZ-OD1 3.28Å; Y424-N433 WeakPolarHBondContact CD2-ND2 3.32Å; Y424-N433 WeakPolarHBondContact CE2-ND2 3.13Å; N430-N433 VanDerWaalsContact O-CB 3.28Å; N430-N433 WeakPolarHBondContact O-CB 3.48Å; N430-N433 PolarHBondContact O-N 3.02Å; A431-N433 VanDerWaalsContact C-N 3.33Å
434	F	77.2	Confident	60.7	Low	13 Å²	13	87.3 Å²	87.3	6%	0.057	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-105.3	148	-170.4	-42.9	-61.4	0	0	0	113.1	K409 Y410 A431 N432 E439 P441	K409-F434 CarbonylContact C-O 3.11Å; K409-F434 VanDerWaalsContact CA-O 3.31Å; K409-F434 WeakPolarHBondContact CA-O 3.24Å; K409-F434 WeakPolarHBondContact CB-O 3.34Å; K409-F434 WeakPolarHBondContact CD-O 3.41Å; Y410-F434 PolarHBondContact N-O 3.01Å; Y410-F434 VanDerWaalsContact O-CD2 3.23Å; Y410-F434 WeakPolarHBondContact O-CD2 3.45Å; Y410-F434 PolarHBondContact O-N 3.12Å; A431-F434 WeakPolarHBondContact O-CE1 3.28Å; A431-F434 WeakPolarHBondContact O-CZ 3.46Å; N432-F434 WeakPolarHBondContact OD1-CE2 3.05Å; N432-F434 WeakPolarHBondContact OD1-CZ 3.31Å; F434-E439 HydrophobicContact CB-CB 3.89Å; F434-E439 WeakPolarHBondContact CB-O 3.45Å; F434-E439 HydrophobicContact CD1-CB 4.24Å; F434-E439 WeakPolarHBondContact CD1-O 3.45Å; F434-E439 WeakPolarHBondContact CD2-O 3.45Å; F434-E439 HydrophobicContact CG-CB 4.35Å; F434-E439 WeakPolarHBondContact CG-O 3.27Å; F434-P441 HydrophobicContact CE1-CG 3.71Å; F434-P441 HydrophobicContact CZ-CG 3.91Å
435	E	68.8	Low	59.3	Low	130 Å²	130	90.6 Å²	90.6	61%	0.607	52%	0.516	S	S	*	.	S	Bend	trans	-81.5	-30.3	179.2	-70.6	-171.8	169.3	0	0	112.8	K409 E439	K409-E435 HydrophobicContact CD-CG 4.04Å; K409-E435 IonicContact NZ-OE1 3.37Å; K409-E435 PolarHBondContact NZ-OE1 2.92Å; E435-E439 WeakPolarHBondContact CB-OE2 3.27Å; E435-E439 PolarHBondContact N-OE2 2.8Å
436	T	68	Low	57.8	Low	63 Å²	63	94.5 Å²	94.5	39%	0.387	54%	0.535	S	S	.	.	S	Bend	trans	-130.3	158.4	179.5	68.3	0	0	0	0	110.4	Y410 A438 E439	Y410-T436 VanDerWaalsContact CD2-C 3.46Å; T436-A438 PolarHBondContact O-N 3.24Å; T436-E439 PolarHBondContact O-N 3.14Å; T436-E439 PolarHBondContact OG1-OE1 3.16Å
437	K	66.3	Low	56.2	Low	152 Å²	152	100.8 Å²	100.8	66%	0.661	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-11.5	176.3	-164.8	177.7	179.4	179.4	0	113.1	Y410 C419	Y410-K437 HydrophobicContact CD1-CB 4.31Å; Y410-K437 HydrophobicContact CD1-CG 4.48Å; Y410-K437 HydrophobicContact CE1-CB 4.03Å; Y410-K437 HydrophobicContact CE1-CG 4.37Å; C419-K437 HydrophobicContact CB-CG 4.16Å
438	A	58.1	Low	54.6	Low	93 Å²	93	105.4 Å²	105.4	77%	0.769	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-8	-173.7	0	0	0	0	0	114.2	T436	T436-A438 PolarHBondContact O-N 3.24Å
439	E	53.3	Low	53.2	Low	83 Å²	83	99.9 Å²	99.9	39%	0.388	58%	0.575	S	S	.	*			trans	-94.1	111.3	174.9	-76.5	152.4	-139.9	0	0	107.8	F434 E435 T436	F434-E439 HydrophobicContact CB-CB 3.89Å; F434-E439 WeakPolarHBondContact CB-O 3.45Å; F434-E439 HydrophobicContact CD1-CB 4.24Å; F434-E439 WeakPolarHBondContact CD1-O 3.45Å; F434-E439 WeakPolarHBondContact CD2-O 3.45Å; F434-E439 HydrophobicContact CG-CB 4.35Å; F434-E439 WeakPolarHBondContact CG-O 3.27Å; E435-E439 WeakPolarHBondContact CB-OE2 3.27Å; E435-E439 PolarHBondContact N-OE2 2.8Å; T436-E439 PolarHBondContact O-N 3.14Å; T436-E439 PolarHBondContact OG1-OE1 3.16Å
440	S	46.9	Very low	52	Low	63 Å²	63	100.3 Å²	100.3	44%	0.441	58%	0.579	S	S	.	*			trans	-138.3	142.8	165.7	64.9	0	0	0	0	107.7	V442	S440-V442 PolarHBondContact O-N 2.64Å
441	P	48	Very low	50.3	Low	72 Å²	72	100.8 Å²	100.8	47%	0.468	59%	0.589	S	S	.	*			trans	-73.6	114.5	174.5	4.2	17.9	0	0	0	104.5	A431 F434 E443	A431-P441 WeakPolarHBondContact O-CG 3.33Å; F434-P441 HydrophobicContact CE1-CG 3.71Å; F434-P441 HydrophobicContact CZ-CG 3.91Å; P441-E443 PolarHBondContact O-N 3.49Å
442	V	43.2	Very low	48.8	Very low	121 Å²	121	102.2 Å²	102.2	73%	0.733	59%	0.591	S	S	*	*			trans	-69.7	84.8	167.3	-177	0	0	0	0	105.8	S440 E444	S440-V442 PolarHBondContact O-N 2.64Å; V442-E444 PolarHBondContact O-N 3.45Å
443	E	40.4	Very low	47.5	Very low	146 Å²	146	104.5 Å²	104.5	68%	0.682	61%	0.607	S	S	*	*			trans	-64.2	108.8	158.4	-80.7	-174.1	157.3	0	0	106.1	K414 P441 P445	K414-E443 IonicContact NZ-OE2 2.68Å; P441-E443 PolarHBondContact O-N 3.49Å; E443-P445 WeakPolarHBondContact O-CD 3.46Å
444	E	34.4	Very low	46.2	Very low	167 Å²	167	108 Å²	108	78%	0.78	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.8	120.9	170.4	-67.6	-176.8	155.8	0	0	110	V442	V442-E444 PolarHBondContact O-N 3.45Å
445	P	43.7	Very low	45.4	Very low	110 Å²	110	111.9 Å²	111.9	71%	0.714	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-84.1	156.1	156.8	1	21	0	0	0	109	E443	E443-P445 WeakPolarHBondContact O-CD 3.46Å
446	P	35.9	Very low	45.7	Very low	121 Å²	121	114.1 Å²	114.1	79%	0.786	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-67	153.1	-154.2	29.6	-36.1	0	0	0	113.7	D448	P446-D448 PolarHBondContact O-N 3.4Å
447	I	29.4	Very low	46.7	Very low	161 Å²	161	112.5 Å²	112.5	83%	0.826	64%	0.642	S	S	*	*			trans	-44.5	105.4	164.1	-53	167.2	0	0	0	108.9	V449	I447-V449 HydrophobicContact CG2-CG2 3.65Å
448	D	33.1	Very low	47.8	Very low	152 Å²	152	108 Å²	108	81%	0.813	62%	0.62	S	S	*	*			trans	-105.5	102.3	162.1	-165.9	6.6	0	0	0	107.9	P446 G450	P446-D448 PolarHBondContact O-N 3.4Å; D448-G450 PolarHBondContact O-N 3.33Å
449	V	35.8	Very low	49.3	Very low	134 Å²	134	106.2 Å²	106.2	81%	0.812	60%	0.596	S	S	*	*			trans	-73.8	83	175.6	-169	0	0	0	0	107.5	I447	I447-V449 HydrophobicContact CG2-CG2 3.65Å
450	G	32.6	Very low	51.1	Low	51 Å²	51	103 Å²	103	53%	0.526	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-103.3	152.9	171.2	0	0	0	0	0	112.5	D448	D448-G450 PolarHBondContact O-N 3.33Å
451	P	30.4	Very low	52.9	Low	126 Å²	126	101.1 Å²	101.1	82%	0.818	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-74.6	165.1	-148.7	33	-37.9	0	0	0	115.1
452	P	34.8	Very low	54.2	Low	114 Å²	114	102 Å²	102	74%	0.74	57%	0.57	S	S	*	*	S	Bend	trans	-72.2	135.6	-147.1	32.5	-33.1	0	0	0	112.5
453	T	45.9	Very low	55.5	Low	98 Å²	98	102.5 Å²	102.5	60%	0.601	57%	0.573	S	S	*	*			trans	150.1	38.1	152.2	52.2	0	0	0	0	112.9	H455	T453-H455 VanDerWaalsContact C-N 3.3Å; T453-H455 WeakPolarHBondContact CB-NE2 3.23Å; T453-H455 WeakPolarHBondContact CG2-NE2 3.27Å; T453-H455 PolarHBondContact O-CD2 2.77Å; T453-H455 PolarHBondContact O-N 2Å
454	S	44.4	Very low	57.3	Low	97 Å²	97	101.4 Å²	101.4	68%	0.678	57%	0.566	S	S	*	*			trans	-75.1	86.2	164.2	57	0	0	0	0	109.4
455	H	59.8	Low	59.5	Low	95 Å²	95	98.7 Å²	98.7	44%	0.44	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	129.3	178.6	-64.3	-76.2	0	0	0	110	T453 K457 Y472	T453-H455 VanDerWaalsContact C-N 3.3Å; T453-H455 WeakPolarHBondContact CB-NE2 3.23Å; T453-H455 WeakPolarHBondContact CG2-NE2 3.27Å; T453-H455 PolarHBondContact O-CD2 2.77Å; T453-H455 PolarHBondContact O-N 2Å; H455-K457 HydrophobicContact CB-CD 4.3Å; H455-K457 PolarHBondContact O-N 2.88Å; H455-Y472 PolarHBondContact O-N 2.78Å
456	R	76.1	Confident	61.4	Low	177 Å²	177	96.5 Å²	96.5	67%	0.668	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	120.9	162.3	-165.3	-179.2	-73.1	-132.2	4.3	106.8	T469	R456-T469 HydrophobicContact CG-CG2 4.25Å
457	K	87.7	Confident	63.9	Low	30 Å²	30	91.4 Å²	91.4	13%	0.13	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	165.3	177.4	-63.6	-64.1	-173.3	-172	0	109.1	H455 T469 F470 Y472 R481 F482 D483	H455-K457 HydrophobicContact CB-CD 4.3Å; H455-K457 PolarHBondContact O-N 2.88Å; K457-T469 CarbonylContact O-C 3.57Å; K457-T469 VanDerWaalsContact O-CA 3.23Å; K457-T469 WeakPolarHBondContact O-CA 3.44Å; K457-F470 HydrophobicContact CB-CD1 3.93Å; K457-F470 HydrophobicContact CB-CE1 3.43Å; K457-F470 VanDerWaalsContact CB-CE1 3.43Å; K457-F470 HydrophobicContact CB-CZ 3.84Å; K457-F470 PolarHBondContact N-O 3.11Å; K457-F470 WeakPolarHBondContact O-CD1 2.98Å; K457-F470 PolarHBondContact O-N 3.15Å; K457-Y472 HydrophobicContact CG-CD1 4.48Å; K457-Y472 HydrophobicContact CG-CG 4.32Å; K457-R481 HydrophobicContact CB-CG 3.87Å; K457-R481 HydrophobicContact CD-CG 4.28Å; K457-R481 HydrophobicContact CG-CG 3.91Å; K457-F482 CarbonylContact C-O 3.58Å; K457-F482 WeakPolarHBondContact CA-O 2.96Å; K457-F482 WeakPolarHBondContact CB-O 3.31Å; K457-D483 VanDerWaalsContact CD-OD1 3.31Å; K457-D483 WeakPolarHBondContact CD-OD1 3.26Å; K457-D483 WeakPolarHBondContact CE-OD1 3.38Å; K457-D483 IonicContact NZ-OD1 3.62Å; K457-D483 PolarHBondContact NZ-OD1 2.75Å; K457-D483 IonicContact NZ-OD2 2.81Å
458	W	90.1	Very high	66.6	Low	56 Å²	56	88.1 Å²	88.1	21%	0.212	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	151.1	176.2	-68.3	81.3	0	0	0	110.6	C467 R468 T469 R481 F482 K485 C488	W458-C467 HydrophobicContact CE3-CB 3.92Å; W458-C467 HydrophobicContact CZ3-CB 4.36Å; W458-C467 WeakPolarHBondContact CZ3-O 3Å; W458-R468 CarbonylContact C-O 3.47Å; W458-R468 VanDerWaalsContact CA-O 3.24Å; W458-R468 WeakPolarHBondContact CA-O 3.32Å; W458-T469 HydrophobicContact CD2-CG2 3.72Å; W458-T469 HydrophobicContact CE3-CG2 3.9Å; W458-T469 HydrophobicContact CG-CG2 4.42Å; W458-T469 HydrophobicContact CH2-CG2 3.68Å; W458-T469 HydrophobicContact CZ2-CG2 3.48Å; W458-T469 VanDerWaalsContact CZ2-CG2 3.48Å; W458-T469 HydrophobicContact CZ3-CG2 3.89Å; W458-R481 CarbonylContact O-C 3.51Å; W458-R481 VanDerWaalsContact O-CA 3.3Å; W458-R481 WeakPolarHBondContact O-CA 3.29Å; W458-F482 HydrophobicContact CB-CB 4.07Å; W458-F482 PolarHBondContact N-O 2.85Å; W458-F482 WeakPolarHBondContact O-CD2 3.46Å; W458-F482 PolarHBondContact O-N 3.39Å; W458-K485 HydrophobicContact CD2-CB 3.85Å; W458-K485 HydrophobicContact CD2-CG 4.37Å; W458-K485 HydrophobicContact CE3-CB 3.94Å; W458-K485 HydrophobicContact CE3-CG 3.93Å; W458-K485 HydrophobicContact CH2-CB 3.67Å; W458-K485 HydrophobicContact CH2-CD 3.69Å; W458-K485 HydrophobicContact CH2-CG 3.69Å; W458-K485 HydrophobicContact CZ2-CB 3.56Å; W458-K485 HydrophobicContact CZ2-CD 4.32Å; W458-K485 HydrophobicContact CZ2-CG 4.14Å; W458-K485 HydrophobicContact CZ3-CB 3.85Å; W458-K485 HydrophobicContact CZ3-CD 3.93Å; W458-K485 HydrophobicContact CZ3-CG 3.56Å; W458-C488 HydrophobicContact CB-CB 4.02Å
459	F	90.3	Very high	69.2	Low	57 Å²	57	83.7 Å²	83.7	25%	0.25	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.4	170.2	75.8	-82.7	0	0	0	109	D461 C467 R468 F470 N480	F459-D461 HydrophobicContact CE2-CB 4.12Å; F459-C467 CarbonylContact O-C 3.55Å; F459-C467 WeakPolarHBondContact O-CA 3.34Å; F459-R468 HydrophobicContact CD1-CB 4.08Å; F459-R468 WeakPolarHBondContact CD1-O 2.9Å; F459-R468 HydrophobicContact CE1-CB 3.47Å; F459-R468 VanDerWaalsContact CE1-CB 3.47Å; F459-R468 HydrophobicContact CE2-CB 4.4Å; F459-R468 HydrophobicContact CZ-CB 3.66Å; F459-R468 HydrophobicContact CZ-CG 4.47Å; F459-R468 PolarHBondContact N-O 3.12Å; F459-R468 PolarHBondContact O-N 3.43Å; F459-F470 HydrophobicContact CB-CD1 4.17Å; F459-F470 HydrophobicContact CB-CE1 4.21Å; F459-F470 HydrophobicContact CD1-CB 4.14Å; F459-F470 AromaticContact CD1-CD1 3.85Å; F459-F470 HydrophobicContact CD1-CD1 3.85Å; F459-F470 HydrophobicContact CD1-CG 4.32Å; F459-F470 HydrophobicContact CE1-CB 4.35Å; F459-F470 HydrophobicContact CG-CD1 4.45Å; F459-N480 WeakPolarHBondContact CB-O 3.38Å
460	F	89.5	Confident	71.5	Confident	15 Å²	15	80.3 Å²	80.3	7%	0.066	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.3	174.4	-174.5	-114.2	0	0	0	110.8	T462 K465 N480 F482 C492 I493 L496	F460-T462 HydrophobicContact CD1-CG2 4.02Å; F460-T462 HydrophobicContact CE1-CG2 4.35Å; F460-T462 PolarHBondContact O-N 2.84Å; F460-K465 HydrophobicContact CE1-CD 4.41Å; F460-K465 VanDerWaalsContact CE2-C 3.49Å; F460-K465 HydrophobicContact CZ-CB 4.34Å; F460-K465 HydrophobicContact CZ-CD 4.04Å; F460-N480 WeakPolarHBondContact CB-OD1 3.14Å; F460-N480 PolarHBondContact N-OD1 2.87Å; F460-N480 PolarHBondContact O-ND2 2.8Å; F460-F482 HydrophobicContact CB-CE2 4.42Å; F460-C492 HydrophobicContact CB-CB 3.52Å; F460-C492 VanDerWaalsContact CB-SG 3.52Å; F460-C492 HydrophobicContact CD1-CB 3.61Å; F460-C492 HydrophobicContact CD2-CB 3.48Å; F460-C492 VanDerWaalsContact CD2-CB 3.48Å; F460-C492 HydrophobicContact CE1-CB 4.1Å; F460-C492 HydrophobicContact CE2-CB 4.02Å; F460-C492 HydrophobicContact CG-CB 3.25Å; F460-C492 HydrophobicContact CZ-CB 4.28Å; F460-I493 HydrophobicContact CD2-CG1 4.26Å; F460-I493 HydrophobicContact CE2-CD1 4.33Å; F460-I493 HydrophobicContact CE2-CG1 3.61Å; F460-I493 HydrophobicContact CZ-CG1 4.41Å; F460-L496 HydrophobicContact CZ-CD1 4.34Å
461	D	84.8	Confident	73.5	Confident	23 Å²	23	83.3 Å²	83.3	12%	0.123	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	105.3	172.1	-172.7	-35.8	0	0	0	108.9	F459 V463 K464 K465 V466 R468	F459-D461 HydrophobicContact CE2-CB 4.12Å; D461-V463 PolarHBondContact O-N 2.79Å; D461-V463 WeakPolarHBondContact OD1-CB 3.31Å; D461-V463 PolarHBondContact OD1-N 2.87Å; D461-K464 HydrophobicContact CB-CB 4.32Å; D461-K464 PolarHBondContact O-N 2.86Å; D461-K464 PolarHBondContact OD1-N 3.16Å; D461-K465 VanDerWaalsContact O-CA 3.27Å; D461-K465 WeakPolarHBondContact O-CA 3.32Å; D461-K465 PolarHBondContact O-N 2.97Å; D461-V466 HydrophobicContact CB-CG2 4.36Å; D461-V466 WeakPolarHBondContact CB-O 3.43Å; D461-V466 PolarHBondContact N-O 3.42Å; D461-V466 PolarHBondContact O-N 3.28Å; D461-R468 HydrophobicContact CB-CG 4.47Å; D461-R468 IonicContact OD2-CZ 2.77Å; D461-R468 IonicContact OD2-NE 3.86Å; D461-R468 PolarHBondContact OD2-NE 3.46Å; D461-R468 IonicContact OD2-NH1 3.75Å; D461-R468 PolarHBondContact OD2-NH1 3.14Å
462	T	75	Confident	75.5	Confident	92 Å²	92	79.3 Å²	79.3	56%	0.564	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.6	-176.1	53.9	0	0	0	0	113.6	F460 K465	F460-T462 HydrophobicContact CD1-CG2 4.02Å; F460-T462 HydrophobicContact CE1-CG2 4.35Å; F460-T462 PolarHBondContact O-N 2.84Å; T462-K465 WeakPolarHBondContact O-CE 3.29Å
463	V	71.4	Confident	76.5	Confident	131 Å²	131	77.3 Å²	77.3	79%	0.794	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-46.5	179.2	-179.2	0	0	0	0	109.9	D461	D461-V463 PolarHBondContact O-N 2.79Å; D461-V463 WeakPolarHBondContact OD1-CB 3.31Å; D461-V463 PolarHBondContact OD1-N 2.87Å
464	K	78	Confident	77.3	Confident	123 Å²	123	75 Å²	75	54%	0.535	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.9	-179.1	-63.4	-167.8	-176.4	-165.3	0	114.3	D461 V466 R468	D461-K464 HydrophobicContact CB-CB 4.32Å; D461-K464 PolarHBondContact O-N 2.86Å; D461-K464 PolarHBondContact OD1-N 3.16Å; K464-V466 HydrophobicContact CB-CG2 3.64Å; K464-V466 PolarHBondContact O-N 2.84Å; K464-R468 VanDerWaalsContact CD-CZ 3.45Å
465	K	80.1	Confident	78.3	Confident	110 Å²	110	75 Å²	75	48%	0.478	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	32.7	-178	-56.8	-63.4	-173.5	-177.7	0	113.7	F460 D461 T462 L496	F460-K465 HydrophobicContact CE1-CD 4.41Å; F460-K465 VanDerWaalsContact CE2-C 3.49Å; F460-K465 HydrophobicContact CZ-CB 4.34Å; F460-K465 HydrophobicContact CZ-CD 4.04Å; D461-K465 VanDerWaalsContact O-CA 3.27Å; D461-K465 WeakPolarHBondContact O-CA 3.32Å; D461-K465 PolarHBondContact O-N 2.97Å; T462-K465 WeakPolarHBondContact O-CE 3.29Å; K465-L496 HydrophobicContact CD-CD1 4.36Å
466	V	84.1	Confident	78.2	Confident	63 Å²	63	79.3 Å²	79.3	38%	0.382	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.5	-178	-68.8	0	0	0	0	111.4	D461 K464 R468	D461-V466 HydrophobicContact CB-CG2 4.36Å; D461-V466 WeakPolarHBondContact CB-O 3.43Å; D461-V466 PolarHBondContact N-O 3.42Å; D461-V466 PolarHBondContact O-N 3.28Å; K464-V466 HydrophobicContact CB-CG2 3.64Å; K464-V466 PolarHBondContact O-N 2.84Å; V466-R468 HydrophobicContact CG2-CG 4.13Å
467	C	88.2	Confident	77.3	Confident	14 Å²	14	74.1 Å²	74.1	10%	0.095	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.2	170.4	-71.5	0	0	0	0	110.3	W458 F459 K485 C488 Q489	W458-C467 HydrophobicContact CE3-CB 3.92Å; W458-C467 HydrophobicContact CZ3-CB 4.36Å; W458-C467 WeakPolarHBondContact CZ3-O 3Å; F459-C467 CarbonylContact O-C 3.55Å; F459-C467 WeakPolarHBondContact O-CA 3.34Å; C467-K485 HydrophobicContact CB-CG 4.42Å; C467-C488 HydrophobicContact CB-CB 3.72Å; C467-C488 WeakPolarHBondContact CB-SG 2.99Å; C467-C488 WeakPolarHBondContact SG-CB 3.23Å; C467-C488 CovalentContact SG-SG 2.03Å; C467-C488 PolarHBondContact SG-SG 3.24Å; C467-Q489 HydrophobicContact CB-CG 4.3Å; C467-Q489 PolarHBondContact SG-N 3.48Å
468	R	87.2	Confident	76.2	Confident	93 Å²	93	78.4 Å²	78.4	35%	0.351	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.3	-176.9	-70.5	178.8	162	-156.4	-36.9	110.6	W458 F459 D461 K464 V466	W458-R468 CarbonylContact C-O 3.47Å; W458-R468 VanDerWaalsContact CA-O 3.24Å; W458-R468 WeakPolarHBondContact CA-O 3.32Å; F459-R468 HydrophobicContact CD1-CB 4.08Å; F459-R468 WeakPolarHBondContact CD1-O 2.9Å; F459-R468 HydrophobicContact CE1-CB 3.47Å; F459-R468 VanDerWaalsContact CE1-CB 3.47Å; F459-R468 HydrophobicContact CE2-CB 4.4Å; F459-R468 HydrophobicContact CZ-CB 3.66Å; F459-R468 HydrophobicContact CZ-CG 4.47Å; F459-R468 PolarHBondContact N-O 3.12Å; F459-R468 PolarHBondContact O-N 3.43Å; D461-R468 HydrophobicContact CB-CG 4.47Å; D461-R468 IonicContact OD2-CZ 2.77Å; D461-R468 IonicContact OD2-NE 3.86Å; D461-R468 PolarHBondContact OD2-NE 3.46Å; D461-R468 IonicContact OD2-NH1 3.75Å; D461-R468 PolarHBondContact OD2-NH1 3.14Å; K464-R468 VanDerWaalsContact CD-CZ 3.45Å; V466-R468 HydrophobicContact CG2-CG 4.13Å
469	T	87	Confident	75.6	Confident	58 Å²	58	79.3 Å²	79.3	36%	0.356	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	150.8	179.2	61.5	0	0	0	0	112.2	R456 K457 W458	R456-T469 HydrophobicContact CG-CG2 4.25Å; K457-T469 CarbonylContact O-C 3.57Å; K457-T469 VanDerWaalsContact O-CA 3.23Å; K457-T469 WeakPolarHBondContact O-CA 3.44Å; W458-T469 HydrophobicContact CD2-CG2 3.72Å; W458-T469 HydrophobicContact CE3-CG2 3.9Å; W458-T469 HydrophobicContact CG-CG2 4.42Å; W458-T469 HydrophobicContact CH2-CG2 3.68Å; W458-T469 HydrophobicContact CZ2-CG2 3.48Å; W458-T469 VanDerWaalsContact CZ2-CG2 3.48Å; W458-T469 HydrophobicContact CZ3-CG2 3.89Å
470	F	83.2	Confident	75.3	Confident	63 Å²	63	78.8 Å²	78.8	28%	0.276	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.9	167.7	78.1	-74.9	0	0	0	111.1	K457 F459 Y472 R481	K457-F470 HydrophobicContact CB-CD1 3.93Å; K457-F470 HydrophobicContact CB-CE1 3.43Å; K457-F470 VanDerWaalsContact CB-CE1 3.43Å; K457-F470 HydrophobicContact CB-CZ 3.84Å; K457-F470 PolarHBondContact N-O 3.11Å; K457-F470 WeakPolarHBondContact O-CD1 2.98Å; K457-F470 PolarHBondContact O-N 3.15Å; F459-F470 HydrophobicContact CB-CD1 4.17Å; F459-F470 HydrophobicContact CB-CE1 4.21Å; F459-F470 HydrophobicContact CD1-CB 4.14Å; F459-F470 AromaticContact CD1-CD1 3.85Å; F459-F470 HydrophobicContact CD1-CD1 3.85Å; F459-F470 HydrophobicContact CD1-CG 4.32Å; F459-F470 HydrophobicContact CE1-CB 4.35Å; F459-F470 HydrophobicContact CG-CD1 4.45Å; F470-Y472 HydrophobicContact CE2-CD2 4.03Å; F470-Y472 HydrophobicContact CE2-CG 4.35Å; F470-Y472 HydrophobicContact CZ-CD2 4.42Å; F470-R481 HydrophobicContact CE1-CB 4.26Å; F470-R481 HydrophobicContact CE1-CG 3.94Å; F470-R481 HydrophobicContact CZ-CB 4.02Å; F470-R481 HydrophobicContact CZ-CG 3.63Å
471	V	75.7	Confident	75.2	Confident	114 Å²	114	82 Å²	82	69%	0.691	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.5	175.3	-178.8	0	0	0	0	109.1
472	Y	71.3	Confident	75.5	Confident	42 Å²	42	81.1 Å²	81.1	17%	0.165	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	110.9	180	178.6	-115.5	0	0	0	111.1	H455 K457 F470 G474 C475 K476 R481	H455-Y472 PolarHBondContact O-N 2.78Å; K457-Y472 HydrophobicContact CG-CD1 4.48Å; K457-Y472 HydrophobicContact CG-CG 4.32Å; F470-Y472 HydrophobicContact CE2-CD2 4.03Å; F470-Y472 HydrophobicContact CE2-CG 4.35Å; F470-Y472 HydrophobicContact CZ-CD2 4.42Å; Y472-G474 PolarHBondContact O-N 3.47Å; Y472-C475 VanDerWaalsContact OH-C 3.31Å; Y472-C475 WeakPolarHBondContact OH-CA 3.16Å; Y472-C475 PolarHBondContact OH-N 3.29Å; Y472-K476 WeakPolarHBondContact CE2-O 3.25Å; Y472-K476 PolarHBondContact OH-O 3.35Å; Y472-R481 VanDerWaalsContact CE2-NH1 3.26Å; Y472-R481 VanDerWaalsContact CZ-NH1 3.26Å; Y472-R481 PolarHBondContact OH-NH1 3.46Å
473	G	56.7	Low	76	Confident	72 Å²	72	81.3 Å²	81.3	74%	0.742	48%	0.478	S	S	*	.			trans	-76.9	24.3	-178	0	0	0	0	0	116.1	C475	G473-C475 PolarHBondContact O-N 3.25Å
474	G	63.6	Low	76.8	Confident	51 Å²	51	77.9 Å²	77.9	53%	0.526	46%	0.458	S	S	.	.	S	Bend	trans	82.4	0	168.5	0	0	0	0	0	117.8	Y472	Y472-G474 PolarHBondContact O-N 3.47Å
475	C	64.5	Low	77.2	Confident	96 Å²	96	76.3 Å²	76.3	65%	0.649	45%	0.451	S	S	*	.	S	Bend	trans	-144	148.4	175.6	62	0	0	0	0	114.3	Y472 G473	Y472-C475 VanDerWaalsContact OH-C 3.31Å; Y472-C475 WeakPolarHBondContact OH-CA 3.16Å; Y472-C475 PolarHBondContact OH-N 3.29Å; G473-C475 PolarHBondContact O-N 3.25Å
476	K	56.7	Low	77.4	Confident	186 Å²	186	76.1 Å²	76.1	81%	0.809	45%	0.452	S	S	*	.			trans	63.7	-178.4	179.2	-56.6	-178.4	178.7	177.8	0	114	Y472 R481	Y472-K476 WeakPolarHBondContact CE2-O 3.25Å; Y472-K476 PolarHBondContact OH-O 3.35Å; K476-R481 PolarHBondContact O-NH1 2.89Å
477	G	58	Low	77.6	Confident	68 Å²	68	75.2 Å²	75.2	70%	0.701	44%	0.443	S	S	*	.			trans	132.9	164.1	177.4	0	0	0	0	0	113.7
478	N	65.3	Low	77.6	Confident	120 Å²	120	74.5 Å²	74.5	64%	0.642	44%	0.439	S	S	*	.			trans	-105.6	179	173.4	58.2	20.7	0	0	0	109.7	N480	N478-N480 PolarHBondContact O-N 3.14Å; N478-N480 WeakPolarHBondContact OD1-CB 3.25Å; N478-N480 PolarHBondContact OD1-N 2.97Å
479	G	77.2	Confident	77.5	Confident	74 Å²	74	73.5 Å²	73.5	76%	0.763	44%	0.438	S	S	*	.	S	Bend	trans	-66.5	-0.2	179.9	0	0	0	0	0	115.5	R481	G479-R481 PolarHBondContact O-N 3.23Å
480	N	84.1	Confident	77.2	Confident	46 Å²	46	77.6 Å²	77.6	25%	0.246	45%	0.453	C	S	.	.			trans	-90.1	49.1	178.8	-161.6	17.6	0	0	0	111.5	F459 F460 N478 F482	F459-N480 WeakPolarHBondContact CB-O 3.38Å; F460-N480 WeakPolarHBondContact CB-OD1 3.14Å; F460-N480 PolarHBondContact N-OD1 2.87Å; F460-N480 PolarHBondContact O-ND2 2.8Å; N478-N480 PolarHBondContact O-N 3.14Å; N478-N480 WeakPolarHBondContact OD1-CB 3.25Å; N478-N480 PolarHBondContact OD1-N 2.97Å; N480-F482 WeakPolarHBondContact OD1-CE2 3.16Å
481	R	88.2	Confident	77.3	Confident	82 Å²	82	81.8 Å²	81.8	31%	0.309	47%	0.467	S	S	.	.			trans	-138.7	118.1	179.5	178.3	179.4	68.3	-131.2	-2.9	109	K457 W458 F470 Y472 K476 G479	K457-R481 HydrophobicContact CB-CG 3.87Å; K457-R481 HydrophobicContact CD-CG 4.28Å; K457-R481 HydrophobicContact CG-CG 3.91Å; W458-R481 CarbonylContact O-C 3.51Å; W458-R481 VanDerWaalsContact O-CA 3.3Å; W458-R481 WeakPolarHBondContact O-CA 3.29Å; F470-R481 HydrophobicContact CE1-CB 4.26Å; F470-R481 HydrophobicContact CE1-CG 3.94Å; F470-R481 HydrophobicContact CZ-CB 4.02Å; F470-R481 HydrophobicContact CZ-CG 3.63Å; Y472-R481 VanDerWaalsContact CE2-NH1 3.26Å; Y472-R481 VanDerWaalsContact CZ-NH1 3.26Å; Y472-R481 PolarHBondContact OH-NH1 3.46Å; K476-R481 PolarHBondContact O-NH1 2.89Å; G479-R481 PolarHBondContact O-N 3.23Å
482	F	90.6	Very high	77.7	Confident	6 Å²	6	77.4 Å²	77.4	3%	0.026	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-124	154.1	-176.7	-47.1	-80.7	0	0	0	110.4	K457 W458 F460 N480 E487 C488 R491 C492	K457-F482 CarbonylContact C-O 3.58Å; K457-F482 WeakPolarHBondContact CA-O 2.96Å; K457-F482 WeakPolarHBondContact CB-O 3.31Å; W458-F482 HydrophobicContact CB-CB 4.07Å; W458-F482 PolarHBondContact N-O 2.85Å; W458-F482 WeakPolarHBondContact O-CD2 3.46Å; W458-F482 PolarHBondContact O-N 3.39Å; F460-F482 HydrophobicContact CB-CE2 4.42Å; N480-F482 WeakPolarHBondContact OD1-CE2 3.16Å; F482-E487 HydrophobicContact CB-CB 4.16Å; F482-E487 HydrophobicContact CB-CG 4.25Å; F482-E487 HydrophobicContact CD1-CG 3.97Å; F482-C488 HydrophobicContact CB-CB 3.85Å; F482-C488 HydrophobicContact CD1-CB 4.43Å; F482-C488 HydrophobicContact CD2-CB 3.28Å; F482-C488 VanDerWaalsContact CD2-SG 3.56Å; F482-C488 HydrophobicContact CE2-CB 3.92Å; F482-C488 VanDerWaalsContact CG-CA 3.46Å; F482-C488 HydrophobicContact CG-CB 3.58Å; F482-R491 HydrophobicContact CD1-CB 4.45Å; F482-R491 HydrophobicContact CE1-CB 3.71Å; F482-R491 HydrophobicContact CE1-CG 4.22Å; F482-R491 HydrophobicContact CZ-CB 4.3Å; F482-C492 WeakPolarHBondContact CZ-SG 3.44Å
483	D	85.2	Confident	77.8	Confident	95 Å²	95	78.4 Å²	78.4	51%	0.508	45%	0.449	S	S	.	.	S	Bend	trans	-84.3	-31.1	-178	-69.2	-14.5	0	0	0	111.5	K457 E487	K457-D483 VanDerWaalsContact CD-OD1 3.31Å; K457-D483 WeakPolarHBondContact CD-OD1 3.26Å; K457-D483 WeakPolarHBondContact CE-OD1 3.38Å; K457-D483 IonicContact NZ-OD1 3.62Å; K457-D483 PolarHBondContact NZ-OD1 2.75Å; K457-D483 IonicContact NZ-OD2 2.81Å; D483-E487 PolarHBondContact N-OE2 3.21Å
484	T	87.1	Confident	78	Confident	60 Å²	60	78.8 Å²	78.8	37%	0.368	45%	0.445	S	S	.	.	S	Bend	trans	-129.4	162.2	179.2	75.8	0	0	0	0	111.8	E486 E487 C488	T484-E486 WeakPolarHBondContact CB-OE2 3.49Å; T484-E486 PolarHBondContact O-N 2.84Å; T484-E486 PolarHBondContact OG1-N 2.03Å; T484-E486 PolarHBondContact OG1-OE2 2.67Å; T484-E487 PolarHBondContact O-N 3.35Å; T484-E487 PolarHBondContact OG1-N 3.34Å; T484-C488 PolarHBondContact O-N 3.29Å
485	K	87.2	Confident	77.7	Confident	89 Å²	89	81.4 Å²	81.4	39%	0.387	45%	0.451	S	S	.	.	H	α-helix	trans	-60.5	-41.5	173.6	-173.2	-179.1	176.8	-174.6	0	109.6	W458 C467 E487 C488 Q489	W458-K485 HydrophobicContact CD2-CB 3.85Å; W458-K485 HydrophobicContact CD2-CG 4.37Å; W458-K485 HydrophobicContact CE3-CB 3.94Å; W458-K485 HydrophobicContact CE3-CG 3.93Å; W458-K485 HydrophobicContact CH2-CB 3.67Å; W458-K485 HydrophobicContact CH2-CD 3.69Å; W458-K485 HydrophobicContact CH2-CG 3.69Å; W458-K485 HydrophobicContact CZ2-CB 3.56Å; W458-K485 HydrophobicContact CZ2-CD 4.32Å; W458-K485 HydrophobicContact CZ2-CG 4.14Å; W458-K485 HydrophobicContact CZ3-CB 3.85Å; W458-K485 HydrophobicContact CZ3-CD 3.93Å; W458-K485 HydrophobicContact CZ3-CG 3.56Å; C467-K485 HydrophobicContact CB-CG 4.42Å; K485-E487 PolarHBondContact O-N 3.44Å; K485-C488 WeakPolarHBondContact O-CB 3.33Å; K485-C488 PolarHBondContact O-N 2.83Å; K485-Q489 HydrophobicContact CG-CG 4.24Å; K485-Q489 VanDerWaalsContact O-CG 3.27Å; K485-Q489 WeakPolarHBondContact O-CG 3.12Å; K485-Q489 PolarHBondContact O-N 3.47Å
486	E	84.2	Confident	77.4	Confident	106 Å²	106	80 Å²	80	50%	0.495	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-43.4	-177.4	-61.2	67.6	-144.3	0	0	110.6	T484 C488 Q489 Q490	T484-E486 WeakPolarHBondContact CB-OE2 3.49Å; T484-E486 PolarHBondContact O-N 2.84Å; T484-E486 PolarHBondContact OG1-N 2.03Å; T484-E486 PolarHBondContact OG1-OE2 2.67Å; E486-C488 VanDerWaalsContact C-N 3.35Å; E486-C488 PolarHBondContact O-N 2.9Å; E486-Q489 PolarHBondContact O-N 3.21Å; E486-Q490 VanDerWaalsContact O-CB 3.32Å; E486-Q490 WeakPolarHBondContact O-CB 3.26Å; E486-Q490 VanDerWaalsContact O-CG 3.29Å; E486-Q490 WeakPolarHBondContact O-CG 3.15Å; E486-Q490 PolarHBondContact O-N 3.46Å
487	E	87.7	Confident	77.2	Confident	44 Å²	44	76.2 Å²	76.2	21%	0.206	43%	0.431	C	S	.	.	H	α-helix	trans	-64	-40.9	176.2	-171.8	-167.1	179.8	0	0	111.4	F482 D483 T484 K485 R491	F482-E487 HydrophobicContact CB-CB 4.16Å; F482-E487 HydrophobicContact CB-CG 4.25Å; F482-E487 HydrophobicContact CD1-CG 3.97Å; D483-E487 PolarHBondContact N-OE2 3.21Å; T484-E487 PolarHBondContact O-N 3.35Å; T484-E487 PolarHBondContact OG1-N 3.34Å; K485-E487 PolarHBondContact O-N 3.44Å; E487-R491 WeakPolarHBondContact O-CB 3.4Å; E487-R491 WeakPolarHBondContact O-CG 3.36Å; E487-R491 PolarHBondContact O-N 2.79Å; E487-R491 IonicContact OE1-CZ 3.11Å; E487-R491 IonicContact OE1-NE 2.82Å; E487-R491 IonicContact OE1-NH1 3.59Å; E487-R491 PolarHBondContact OE1-NH1 2.01Å; E487-R491 IonicContact OE1-NH2 3.82Å; E487-R491 PolarHBondContact OE1-NH2 3.5Å
488	C	88.1	Confident	76.5	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-62.8	-46.3	174	176.5	0	0	0	0	111.8	W458 C467 F482 T484 K485 E486 R491 C492	W458-C488 HydrophobicContact CB-CB 4.02Å; C467-C488 HydrophobicContact CB-CB 3.72Å; C467-C488 WeakPolarHBondContact CB-SG 2.99Å; C467-C488 WeakPolarHBondContact SG-CB 3.23Å; C467-C488 CovalentContact SG-SG 2.03Å; C467-C488 PolarHBondContact SG-SG 3.24Å; F482-C488 HydrophobicContact CB-CB 3.85Å; F482-C488 HydrophobicContact CD1-CB 4.43Å; F482-C488 HydrophobicContact CD2-CB 3.28Å; F482-C488 VanDerWaalsContact CD2-SG 3.56Å; F482-C488 HydrophobicContact CE2-CB 3.92Å; F482-C488 VanDerWaalsContact CG-CA 3.46Å; F482-C488 HydrophobicContact CG-CB 3.58Å; T484-C488 PolarHBondContact O-N 3.29Å; K485-C488 WeakPolarHBondContact O-CB 3.33Å; K485-C488 PolarHBondContact O-N 2.83Å; E486-C488 VanDerWaalsContact C-N 3.35Å; E486-C488 PolarHBondContact O-N 2.9Å; C488-R491 PolarHBondContact O-N 3.05Å; C488-C492 VanDerWaalsContact O-CB 3.26Å; C488-C492 WeakPolarHBondContact O-CB 3.42Å; C488-C492 PolarHBondContact O-N 2.81Å
489	Q	85.6	Confident	75.5	Confident	72 Å²	72	79.2 Å²	79.2	34%	0.336	45%	0.445	S	S	.	.	H	α-helix	trans	-65.7	-45.2	-179.8	-69.8	179.3	-49.6	0	0	110.8	C467 K485 E486 R491 I493 A494	C467-Q489 HydrophobicContact CB-CG 4.3Å; C467-Q489 PolarHBondContact SG-N 3.48Å; K485-Q489 HydrophobicContact CG-CG 4.24Å; K485-Q489 VanDerWaalsContact O-CG 3.27Å; K485-Q489 WeakPolarHBondContact O-CG 3.12Å; K485-Q489 PolarHBondContact O-N 3.47Å; E486-Q489 PolarHBondContact O-N 3.21Å; Q489-R491 PolarHBondContact O-N 2.98Å; Q489-I493 HydrophobicContact CB-CD1 4.1Å; Q489-I493 HydrophobicContact CG-CD1 3.76Å; Q489-I493 VanDerWaalsContact O-CA 3.3Å; Q489-I493 WeakPolarHBondContact O-CA 2.96Å; Q489-I493 WeakPolarHBondContact O-CB 2.89Å; Q489-I493 PolarHBondContact O-N 2.68Å; Q489-A494 PolarHBondContact O-N 3.04Å; Q489-A494 VanDerWaalsContact O-N 3.1Å
490	Q	80.5	Confident	73.7	Confident	143 Å²	143	80.4 Å²	80.4	67%	0.668	45%	0.448	S	S	*	.	H	α-helix	trans	-63.3	-40.8	177.6	-75.3	179.8	-12.1	0	0	112.3	E486 A494	E486-Q490 VanDerWaalsContact O-CB 3.32Å; E486-Q490 WeakPolarHBondContact O-CB 3.26Å; E486-Q490 VanDerWaalsContact O-CG 3.29Å; E486-Q490 WeakPolarHBondContact O-CG 3.15Å; E486-Q490 PolarHBondContact O-N 3.46Å; Q490-A494 WeakPolarHBondContact O-CB 3.26Å
491	R	85.6	Confident	71.7	Confident	151 Å²	151	87.3 Å²	87.3	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-79.8	-31.9	-178.6	-72.9	-175.3	170.5	162.2	8.9	113.8	F482 E487 C488 Q489 T495	F482-R491 HydrophobicContact CD1-CB 4.45Å; F482-R491 HydrophobicContact CE1-CB 3.71Å; F482-R491 HydrophobicContact CE1-CG 4.22Å; F482-R491 HydrophobicContact CZ-CB 4.3Å; E487-R491 WeakPolarHBondContact O-CB 3.4Å; E487-R491 WeakPolarHBondContact O-CG 3.36Å; E487-R491 PolarHBondContact O-N 2.79Å; E487-R491 IonicContact OE1-CZ 3.11Å; E487-R491 IonicContact OE1-NE 2.82Å; E487-R491 IonicContact OE1-NH1 3.59Å; E487-R491 PolarHBondContact OE1-NH1 2.01Å; E487-R491 IonicContact OE1-NH2 3.82Å; E487-R491 PolarHBondContact OE1-NH2 3.5Å; C488-R491 PolarHBondContact O-N 3.05Å; Q489-R491 PolarHBondContact O-N 2.98Å; R491-T495 PolarHBondContact O-OG1 2.98Å; R491-T495 VanDerWaalsContact O-OG1 3.07Å
492	C	83.6	Confident	69.5	Low	23 Å²	23	89 Å²	89	16%	0.155	50%	0.495	C	S	.	.	H	α-helix	trans	-113.9	-24.5	-170.8	-62.6	0	0	0	0	115.7	F460 F482 C488 T495	F460-C492 HydrophobicContact CB-CB 3.52Å; F460-C492 VanDerWaalsContact CB-SG 3.52Å; F460-C492 HydrophobicContact CD1-CB 3.61Å; F460-C492 HydrophobicContact CD2-CB 3.48Å; F460-C492 VanDerWaalsContact CD2-CB 3.48Å; F460-C492 HydrophobicContact CE1-CB 4.1Å; F460-C492 HydrophobicContact CE2-CB 4.02Å; F460-C492 HydrophobicContact CG-CB 3.25Å; F460-C492 HydrophobicContact CZ-CB 4.28Å; F482-C492 WeakPolarHBondContact CZ-SG 3.44Å; C488-C492 VanDerWaalsContact O-CB 3.26Å; C488-C492 WeakPolarHBondContact O-CB 3.42Å; C488-C492 PolarHBondContact O-N 2.81Å; C492-T495 PolarHBondContact O-OG1 3.07Å
493	I	73.6	Confident	67.4	Low	62 Å²	62	96.6 Å²	96.6	32%	0.318	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-39.4	176.2	-56.9	-178	0	0	0	110.3	F460 Q489 T495 L496	F460-I493 HydrophobicContact CD2-CG1 4.26Å; F460-I493 HydrophobicContact CE2-CD1 4.33Å; F460-I493 HydrophobicContact CE2-CG1 3.61Å; F460-I493 HydrophobicContact CZ-CG1 4.41Å; Q489-I493 HydrophobicContact CB-CD1 4.1Å; Q489-I493 HydrophobicContact CG-CD1 3.76Å; Q489-I493 VanDerWaalsContact O-CA 3.3Å; Q489-I493 WeakPolarHBondContact O-CA 2.96Å; Q489-I493 WeakPolarHBondContact O-CB 2.89Å; Q489-I493 PolarHBondContact O-N 2.68Å; I493-T495 PolarHBondContact O-N 3.37Å; I493-T495 VanDerWaalsContact O-N 3.1Å; I493-L496 HydrophobicContact CG2-CD1 4.45Å; I493-L496 VanDerWaalsContact O-CB 3.32Å; I493-L496 WeakPolarHBondContact O-CB 2.96Å; I493-L496 PolarHBondContact O-N 3.24Å
494	A	62.5	Low	65.3	Low	80 Å²	80	100.3 Å²	100.3	66%	0.661	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.7	178.3	0	0	0	0	0	114	Q489 Q490	Q489-A494 PolarHBondContact O-N 3.04Å; Q489-A494 VanDerWaalsContact O-N 3.1Å; Q490-A494 WeakPolarHBondContact O-CB 3.26Å
495	T	57.2	Low	63.5	Low	106 Å²	106	106 Å²	106	65%	0.65	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-0.9	171.2	42.5	0	0	0	0	113.4	R491 C492 I493	R491-T495 PolarHBondContact O-OG1 2.98Å; R491-T495 VanDerWaalsContact O-OG1 3.07Å; C492-T495 PolarHBondContact O-OG1 3.07Å; I493-T495 PolarHBondContact O-N 3.37Å; I493-T495 VanDerWaalsContact O-N 3.1Å
496	L	56.4	Low	62.2	Low	68 Å²	68	109 Å²	109	36%	0.356	59%	0.587	S	S	.	*	S	Bend	trans	-85	132.3	171.3	-61.5	174.3	0	0	0	109.3	F460 K465 I493 A498	F460-L496 HydrophobicContact CZ-CD1 4.34Å; K465-L496 HydrophobicContact CD-CD1 4.36Å; I493-L496 HydrophobicContact CG2-CD1 4.45Å; I493-L496 VanDerWaalsContact O-CB 3.32Å; I493-L496 WeakPolarHBondContact O-CB 2.96Å; I493-L496 PolarHBondContact O-N 3.24Å; L496-A498 PolarHBondContact O-N 3.27Å
497	P	53.9	Low	61.9	Low	106 Å²	106	107.4 Å²	107.4	69%	0.688	58%	0.582	S	S	*	*			trans	-57.2	128.1	178.6	18.9	-27.4	0	0	0	110.1	I499	P497-I499 VanDerWaalsContact C-N 3.3Å; P497-I499 PolarHBondContact O-N 3.21Å
498	A	42.7	Very low	61.9	Low	110 Å²	110	107.6 Å²	107.6	91%	0.909	59%	0.587	S	S	*	*			trans	-62.8	88.5	178.5	0	0	0	0	0	110.3	L496	L496-A498 PolarHBondContact O-N 3.27Å
499	I	44.1	Very low	62.1	Low	141 Å²	141	107.7 Å²	107.7	72%	0.723	59%	0.588	S	S	*	*			trans	-106.7	110.3	160.3	-51.9	174.5	0	0	0	103.6	P497 F501	P497-I499 VanDerWaalsContact C-N 3.3Å; P497-I499 PolarHBondContact O-N 3.21Å; I499-F501 PolarHBondContact O-N 2.89Å
500	A	39.1	Very low	62.2	Low	99 Å²	99	110.5 Å²	110.5	82%	0.818	60%	0.599	S	S	*	*			trans	-49.8	97.7	-176.6	0	0	0	0	0	111.3
501	F	41.8	Very low	62.6	Low	190 Å²	190	105.2 Å²	105.2	83%	0.833	58%	0.575	S	S	*	*			trans	-102.3	100.9	160.5	-121.3	-90.4	0	0	0	105.2	I499 L503	I499-F501 PolarHBondContact O-N 2.89Å; F501-L503 PolarHBondContact O-N 3.06Å
502	T	43.3	Very low	62.9	Low	117 Å²	117	102.5 Å²	102.5	72%	0.718	58%	0.577	S	S	*	*			trans	-56.3	110	160.6	36.2	0	0	0	0	106.6	Q504	T502-Q504 PolarHBondContact O-N 3.2Å
503	L	45.7	Very low	63.3	Low	166 Å²	166	103 Å²	103	87%	0.869	58%	0.583	S	S	*	*			trans	-63.7	90.9	162.5	-89.1	158.7	0	0	0	106	F501 E505	F501-L503 PolarHBondContact O-N 3.06Å; L503-E505 VanDerWaalsContact C-N 3.35Å; L503-E505 PolarHBondContact O-N 2.61Å; L503-E505 VanDerWaalsContact O-N 3.11Å
504	Q	42	Very low	64.3	Low	173 Å²	173	102.8 Å²	102.8	81%	0.808	58%	0.582	S	S	*	*			trans	-64.9	105.3	157.1	-79.7	179.8	-39.5	0	0	105.3	T502 E506	T502-Q504 PolarHBondContact O-N 3.2Å; Q504-E506 PolarHBondContact O-N 2.75Å; Q504-E506 VanDerWaalsContact O-N 3.11Å
505	E	49.1	Very low	65.6	Low	181 Å²	181	102 Å²	102	85%	0.846	57%	0.571	S	S	*	*			trans	-53.7	117.1	166.8	-68.2	-174.7	156.3	0	0	107.1	L503 N507	L503-E505 VanDerWaalsContact C-N 3.35Å; L503-E505 PolarHBondContact O-N 2.61Å; L503-E505 VanDerWaalsContact O-N 3.11Å; E505-N507 PolarHBondContact O-N 2.71Å; E505-N507 VanDerWaalsContact O-N 3.15Å
506	E	60.1	Low	67	Low	150 Å²	150	98 Å²	98	70%	0.701	55%	0.55	S	S	*	*			trans	-57.7	123.3	177.1	-69.4	-176.5	164.4	0	0	107.8	Q504 P508 L511	Q504-E506 PolarHBondContact O-N 2.75Å; Q504-E506 VanDerWaalsContact O-N 3.11Å; E506-P508 VanDerWaalsContact O-CD 3.31Å; E506-P508 WeakPolarHBondContact O-CD 3.15Å; E506-L511 HydrophobicContact CB-CD2 4.15Å; E506-L511 WeakPolarHBondContact OE2-CD2 3.33Å
507	N	78.2	Confident	68.1	Low	73 Å²	73	98.6 Å²	98.6	39%	0.39	56%	0.558	S	S	.	*			trans	-47.3	115.1	179.5	178.1	-21.8	0	0	0	109.2	E505 C509 K510	E505-N507 PolarHBondContact O-N 2.71Å; E505-N507 VanDerWaalsContact O-N 3.15Å; N507-C509 PolarHBondContact O-N 2.65Å; N507-C509 VanDerWaalsContact OD1-CB 3.24Å; N507-C509 WeakPolarHBondContact OD1-CB 3.43Å; N507-C509 PolarHBondContact OD1-N 3.24Å; N507-C509 PolarHBondContact OD1-SG 3.22Å; N507-K510 HydrophobicContact CB-CD 4.38Å; N507-K510 HydrophobicContact CB-CG 4.4Å; N507-K510 PolarHBondContact O-N 2.85Å
508	P	87.5	Confident	69.5	Low	48 Å²	48	96.3 Å²	96.3	31%	0.312	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-50.6	-35.5	-176.1	-30.1	35.8	0	0	0	112.8	E506 K510 L511 A546 N547 F549	E506-P508 VanDerWaalsContact O-CD 3.31Å; E506-P508 WeakPolarHBondContact O-CD 3.15Å; P508-K510 PolarHBondContact O-N 3.41Å; P508-K510 VanDerWaalsContact O-N 3.16Å; P508-L511 PolarHBondContact O-N 3.04Å; P508-L511 VanDerWaalsContact O-N 3.15Å; P508-A546 HydrophobicContact CB-CB 3.86Å; P508-A546 HydrophobicContact CG-CB 3.92Å; P508-N547 WeakPolarHBondContact O-CB 2.96Å; P508-F549 HydrophobicContact CB-CZ 4.36Å
509	C	91.2	Very high	71.3	Confident	3 Å²	3	99.2 Å²	99.2	2%	0.02	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-68.1	-14.9	-177.2	-45	0	0	0	0	113.9	N507 Y527 C559	N507-C509 PolarHBondContact O-N 2.65Å; N507-C509 VanDerWaalsContact OD1-CB 3.24Å; N507-C509 WeakPolarHBondContact OD1-CB 3.43Å; N507-C509 PolarHBondContact OD1-N 3.24Å; N507-C509 PolarHBondContact OD1-SG 3.22Å; C509-Y527 HydrophobicContact CB-CD1 3.87Å; C509-Y527 HydrophobicContact CB-CE1 4.44Å; C509-Y527 HydrophobicContact CB-CG 4.24Å; C509-Y527 WeakPolarHBondContact O-CD1 3.42Å; C509-C559 VanDerWaalsContact CA-SG 3.57Å; C509-C559 HydrophobicContact CB-CB 3.77Å; C509-C559 WeakPolarHBondContact CB-SG 3.48Å; C509-C559 WeakPolarHBondContact SG-CA 3.15Å; C509-C559 WeakPolarHBondContact SG-CB 3.13Å; C509-C559 CovalentContact SG-SG 2.03Å; C509-C559 PolarHBondContact SG-SG 2.95Å
510	K	87.8	Confident	72.8	Confident	131 Å²	131	94.4 Å²	94.4	57%	0.57	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-96.5	-6	177.4	-68	-176.6	178.4	179	0	113.3	N507 P508 W529	N507-K510 HydrophobicContact CB-CD 4.38Å; N507-K510 HydrophobicContact CB-CG 4.4Å; N507-K510 PolarHBondContact O-N 2.85Å; P508-K510 PolarHBondContact O-N 3.41Å; P508-K510 VanDerWaalsContact O-N 3.16Å; K510-W529 HydrophobicContact CD-CH2 4.31Å; K510-W529 HydrophobicContact CD-CZ3 4.28Å; K510-W529 HydrophobicContact CG-CD2 4.1Å; K510-W529 HydrophobicContact CG-CE3 3.59Å; K510-W529 HydrophobicContact CG-CH2 4.08Å; K510-W529 HydrophobicContact CG-CZ2 4.5Å; K510-W529 HydrophobicContact CG-CZ3 3.58Å
511	L	90	Very high	75	Confident	32 Å²	32	93.9 Å²	93.9	17%	0.168	51%	0.513	C	S	.	.	S	Bend	trans	-84.2	149.9	178.6	-53.6	171.1	0	0	0	109.9	E506 P508 N545 A546 N547	E506-L511 HydrophobicContact CB-CD2 4.15Å; E506-L511 WeakPolarHBondContact OE2-CD2 3.33Å; P508-L511 PolarHBondContact O-N 3.04Å; P508-L511 VanDerWaalsContact O-N 3.15Å; L511-N545 HydrophobicContact CD1-CB 4.06Å; L511-A546 HydrophobicContact CD1-CB 3.89Å; L511-N547 HydrophobicContact CB-CB 4.04Å; L511-N547 PolarHBondContact O-ND2 3.2Å
512	P	91.6	Very high	77.3	Confident	93 Å²	93	90 Å²	90	60%	0.604	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-73.5	161.9	176.1	30.7	-35.3	0	0	0	111.8	D514 N545	P512-D514 PolarHBondContact O-N 2.83Å; P512-N545 PolarHBondContact O-ND2 3.05Å; P512-N545 PolarHBondContact O-OD1 3.19Å
513	A	92.4	Very high	79.6	Confident	33 Å²	33	88.8 Å²	88.8	27%	0.273	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-58.3	124.2	164.9	0	0	0	0	0	110.2	Y526 F537	A513-Y526 HydrophobicContact CB-CD1 3.64Å; A513-Y526 HydrophobicContact CB-CD2 3.64Å; A513-Y526 HydrophobicContact CB-CE1 3.77Å; A513-Y526 HydrophobicContact CB-CE2 3.79Å; A513-Y526 HydrophobicContact CB-CG 3.57Å; A513-F537 HydrophobicContact CB-CB 4.23Å; A513-F537 HydrophobicContact CB-CD2 4.04Å; A513-F537 HydrophobicContact CB-CG 4.06Å
514	D	93.1	Very high	81.9	Confident	58 Å²	58	82.1 Å²	82.1	31%	0.31	45%	0.447	S	S	.	.			trans	-123.6	100.8	-180	-174	2.1	0	0	0	111	P512 G516 G544 N545	P512-D514 PolarHBondContact O-N 2.83Å; D514-G516 PolarHBondContact O-N 2Å; D514-G516 VanDerWaalsContact O-N 3.16Å; D514-G516 PolarHBondContact OD1-N 2.93Å; D514-G544 VanDerWaalsContact CG-CA 3.49Å; D514-G544 WeakPolarHBondContact O-CA 3.44Å; D514-G544 VanDerWaalsContact OD2-CA 3.31Å; D514-G544 WeakPolarHBondContact OD2-CA 3.49Å; D514-N545 HydrophobicContact CB-CB 4.4Å; D514-N545 VanDerWaalsContact CB-ND2 3.33Å; D514-N545 WeakPolarHBondContact CB-ND2 3.39Å
515	P	90.4	Very high	84.5	Confident	65 Å²	65	74.9 Å²	74.9	42%	0.422	41%	0.414	S	S	.	.			trans	-58.5	-21.4	174.3	-26.5	36.2	0	0	0	113.8	T538 G540	P515-T538 WeakPolarHBondContact CB-O 3.48Å; P515-G540 WeakPolarHBondContact O-CA 3.48Å; P515-G540 PolarHBondContact O-N 3.45Å
516	G	87.7	Confident	86.7	Confident	21 Å²	21	68 Å²	68	22%	0.216	38%	0.38	C	S	.	.			trans	65.5	178.4	-169	0	0	0	0	0	113.2	D514 C542	D514-G516 PolarHBondContact O-N 2Å; D514-G516 VanDerWaalsContact O-N 3.16Å; D514-G516 PolarHBondContact OD1-N 2.93Å; G516-C542 WeakPolarHBondContact CA-O 3.46Å
517	P	77.7	Confident	88.4	Confident	81 Å²	81	61.1 Å²	61.1	53%	0.526	35%	0.348	S	S	.	.	S	Bend	trans	-87.7	-4.5	-173.4	35.5	-36.6	0	0	0	114	E543	P517-E543 VanDerWaalsContact CD-CB 3.44Å; P517-E543 VanDerWaalsContact CD-CD 3.48Å; P517-E543 VanDerWaalsContact CD-CG 3.46Å; P517-E543 WeakPolarHBondContact CD-OE2 3.13Å; P517-E543 HydrophobicContact CG-CB 4.27Å; P517-E543 HydrophobicContact CG-CG 3.7Å; P517-E543 WeakPolarHBondContact CG-OE2 3.46Å
518	C	83.3	Confident	89	Confident	57 Å²	57	59.4 Å²	59.4	39%	0.385	34%	0.339	S	S	.	.			trans	-83.8	159.9	179.9	-76	0	0	0	0	112.4	G540 C542	C518-G540 CarbonylContact C-O 3.52Å; C518-G540 WeakPolarHBondContact CA-O 3.46Å; C518-G540 WeakPolarHBondContact CB-O 3.06Å; C518-G540 WeakPolarHBondContact O-CA 3.23Å; C518-C542 HydrophobicContact CB-CB 3.77Å; C518-C542 WeakPolarHBondContact CB-SG 3.47Å; C518-C542 WeakPolarHBondContact SG-CB 3.49Å; C518-C542 CovalentContact SG-SG 2Å; C518-C542 PolarHBondContact SG-SG 3.4Å
519	M	80.5	Confident	88.8	Confident	172 Å²	172	61.7 Å²	61.7	85%	0.847	34%	0.341	S	S	*	.			trans	-105.7	12.2	-173	-57.2	-171.6	-177.3	0	0	114	G540	M519-G540 PolarHBondContact N-O 3.4Å
520	A	75.6	Confident	88.3	Confident	40 Å²	40	69 Å²	69	33%	0.331	38%	0.38	S	S	.	.			trans	-68.1	154.2	170.1	0	0	0	0	0	109.6	F522 Y539 G540	A520-F522 HydrophobicContact CB-CD2 3.73Å; A520-F522 HydrophobicContact CB-CE2 3.29Å; A520-F522 HydrophobicContact CB-CZ 3.95Å; A520-Y539 VanDerWaalsContact O-O 3.12Å; A520-G540 WeakPolarHBondContact CA-O 3.33Å; A520-G540 WeakPolarHBondContact CB-O 3.34Å; A520-G540 PolarHBondContact N-O 3.04Å; A520-G540 CarbonylContact O-C 3.29Å; A520-G540 WeakPolarHBondContact O-CA 3.46Å
521	S	86.9	Confident	88.2	Confident	88 Å²	88	65.1 Å²	65.1	62%	0.615	37%	0.369	S	S	*	.			trans	-116.9	76	-179.5	178.5	0	0	0	0	109.1
522	F	89.4	Confident	87.9	Confident	109 Å²	109	66 Å²	66	48%	0.478	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.1	171.7	-58.5	-67.4	0	0	0	108.9	A520 K524 Y539	A520-F522 HydrophobicContact CB-CD2 3.73Å; A520-F522 HydrophobicContact CB-CE2 3.29Å; A520-F522 HydrophobicContact CB-CZ 3.95Å; F522-K524 HydrophobicContact CB-CG 4.37Å; F522-K524 PolarHBondContact O-N 3.41Å; F522-Y539 HydrophobicContact CB-CD1 4.45Å; F522-Y539 HydrophobicContact CD2-CD1 4.29Å; F522-Y539 PolarHBondContact N-O 3.36Å; F522-Y539 PolarHBondContact O-N 2.71Å
523	I	90.9	Very high	87.9	Confident	90 Å²	90	67.3 Å²	67.3	46%	0.462	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	122.4	170.1	-56	-56.1	0	0	0	107.5	E536	I523-E536 HydrophobicContact CG2-CB 4.36Å; I523-E536 HydrophobicContact CG2-CG 4.19Å
524	K	95.7	Very high	88	Confident	26 Å²	26	66.6 Å²	66.6	11%	0.113	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	169	-179.8	-66.7	-67.9	-169.4	-175.7	0	108.8	F522 E536 F537 Y539 N548 E550	F522-K524 HydrophobicContact CB-CG 4.37Å; F522-K524 PolarHBondContact O-N 3.41Å; K524-E536 CarbonylContact O-C 3.14Å; K524-E536 WeakPolarHBondContact O-CA 3.19Å; K524-F537 HydrophobicContact CB-CD1 3.97Å; K524-F537 HydrophobicContact CB-CE1 3.43Å; K524-F537 VanDerWaalsContact CB-CE1 3.43Å; K524-F537 HydrophobicContact CB-CZ 3.96Å; K524-F537 PolarHBondContact N-O 2.78Å; K524-F537 WeakPolarHBondContact O-CD1 3.01Å; K524-F537 PolarHBondContact O-N 2.79Å; K524-Y539 HydrophobicContact CG-CD1 4.27Å; K524-Y539 HydrophobicContact CG-CG 4.32Å; K524-N548 VanDerWaalsContact CB-OD1 3.31Å; K524-N548 WeakPolarHBondContact CB-OD1 3.01Å; K524-N548 WeakPolarHBondContact CD-OD1 2.87Å; K524-N548 WeakPolarHBondContact CG-OD1 3.31Å; K524-E550 IonicContact NZ-OE1 3.72Å; K524-E550 PolarHBondContact NZ-OE1 2.02Å; K524-E550 IonicContact NZ-OE2 3.72Å; K524-E550 PolarHBondContact NZ-OE2 2.7Å
525	H	96.6	Very high	88	Confident	21 Å²	21	66.6 Å²	66.6	10%	0.097	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.7	177.9	-60.1	76.3	0	0	0	109.7	L535 E536 F549 I552 C555	H525-L535 CarbonylContact C-O 3.52Å; H525-L535 WeakPolarHBondContact CA-O 3.21Å; H525-E536 WeakPolarHBondContact NE2-CG 3.33Å; H525-E536 IonicContact NE2-OE1 2.61Å; H525-F549 HydrophobicContact CB-CB 4.37Å; H525-F549 PolarHBondContact N-O 2.92Å; H525-F549 WeakPolarHBondContact O-CD2 3.22Å; H525-F549 PolarHBondContact O-N 3.24Å; H525-I552 VanDerWaalsContact CD2-CB 3.48Å; H525-I552 WeakPolarHBondContact CD2-CB 3.48Å; H525-I552 PolarHBondContact CE1-N 3.35Å; H525-I552 PolarHBondContact ND1-N 3.37Å; H525-C555 HydrophobicContact CB-CB 4.01Å
526	Y	95	Very high	88.2	Confident	36 Å²	36	70 Å²	70	14%	0.141	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.7	172	82.6	-78.2	0	0	0	108.8	A513 D528 C534 L535 F537 N547	A513-Y526 HydrophobicContact CB-CD1 3.64Å; A513-Y526 HydrophobicContact CB-CD2 3.64Å; A513-Y526 HydrophobicContact CB-CE1 3.77Å; A513-Y526 HydrophobicContact CB-CE2 3.79Å; A513-Y526 HydrophobicContact CB-CG 3.57Å; Y526-D528 HydrophobicContact CD2-CB 4.49Å; Y526-D528 HydrophobicContact CE2-CB 3.67Å; Y526-D528 PolarHBondContact OH-OD1 2.86Å; Y526-C534 CarbonylContact O-C 3.52Å; Y526-C534 VanDerWaalsContact O-CA 3.32Å; Y526-C534 WeakPolarHBondContact O-CA 3.23Å; Y526-L535 HydrophobicContact CD1-CB 4.19Å; Y526-L535 VanDerWaalsContact CD1-O 3.26Å; Y526-L535 WeakPolarHBondContact CD1-O 2.92Å; Y526-L535 HydrophobicContact CE1-CB 3.61Å; Y526-L535 PolarHBondContact N-O 3.06Å; Y526-L535 PolarHBondContact O-N 3.11Å; Y526-F537 HydrophobicContact CD1-CB 3.91Å; Y526-F537 AromaticContact CD1-CD1 3.8Å; Y526-F537 HydrophobicContact CD1-CD1 3.8Å; Y526-F537 HydrophobicContact CD1-CG 4.07Å; Y526-F537 HydrophobicContact CE1-CB 4.2Å; Y526-F537 HydrophobicContact CG-CD1 4.26Å; Y526-N547 VanDerWaalsContact CA-OD1 3.28Å; Y526-N547 WeakPolarHBondContact CA-OD1 3.23Å; Y526-N547 VanDerWaalsContact CB-O 3.23Å; Y526-N547 WeakPolarHBondContact CB-O 3.3Å; Y526-N547 WeakPolarHBondContact CB-OD1 3.16Å
527	Y	94.9	Very high	88.5	Confident	6 Å²	6	70 Å²	70	2%	0.024	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.1	173.4	-172.8	-92.9	0	0	0	109.9	C509 W529 K532 N547 C559 P560	C509-Y527 HydrophobicContact CB-CD1 3.87Å; C509-Y527 HydrophobicContact CB-CE1 4.44Å; C509-Y527 HydrophobicContact CB-CG 4.24Å; C509-Y527 WeakPolarHBondContact O-CD1 3.42Å; Y527-W529 HydrophobicContact CD1-CE3 4.48Å; Y527-W529 HydrophobicContact CE1-CE3 4.05Å; Y527-W529 PolarHBondContact O-N 3.12Å; Y527-K532 HydrophobicContact CE1-CD 4.33Å; Y527-K532 WeakPolarHBondContact OH-CD 3.09Å; Y527-N547 PolarHBondContact N-ND2 3.46Å; Y527-N547 PolarHBondContact N-OD1 3.11Å; Y527-N547 PolarHBondContact O-ND2 3.13Å; Y527-C559 VanDerWaalsContact CB-SG 3.56Å; Y527-C559 HydrophobicContact CD1-CB 4.21Å; Y527-C559 HydrophobicContact CD2-CB 3.26Å; Y527-C559 HydrophobicContact CE2-CB 3.78Å; Y527-C559 HydrophobicContact CG-CB 3.48Å; Y527-C559 VanDerWaalsContact CG-CB 3.48Å; Y527-P560 PolarHBondContact OH-O 2.98Å
528	D	91.7	Very high	89.2	Confident	37 Å²	37	69.4 Å²	69.4	20%	0.198	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	104.2	175.7	-175	71.5	0	0	0	109.7	Y526 D530 S531 K532 Q533 L535	Y526-D528 HydrophobicContact CD2-CB 4.49Å; Y526-D528 HydrophobicContact CE2-CB 3.67Å; Y526-D528 PolarHBondContact OH-OD1 2.86Å; D528-D530 PolarHBondContact O-N 3.41Å; D528-S531 WeakPolarHBondContact CB-OG 3.21Å; D528-S531 PolarHBondContact O-N 3.29Å; D528-S531 WeakPolarHBondContact OD2-CB 3.42Å; D528-S531 PolarHBondContact OD2-N 3.06Å; D528-S531 PolarHBondContact OD2-OG 2.82Å; D528-K532 WeakPolarHBondContact O-CA 3.3Å; D528-K532 PolarHBondContact O-N 3.45Å; D528-Q533 PolarHBondContact N-O 2.85Å; D528-L535 HydrophobicContact CB-CD1 3.69Å; D528-L535 HydrophobicContact CB-CG 4.12Å
529	W	81.9	Confident	89.6	Confident	97 Å²	97	68.5 Å²	68.5	37%	0.367	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.7	-175.3	-175.2	-89.9	0	0	0	113.6	K510 Y527	K510-W529 HydrophobicContact CD-CH2 4.31Å; K510-W529 HydrophobicContact CD-CZ3 4.28Å; K510-W529 HydrophobicContact CG-CD2 4.1Å; K510-W529 HydrophobicContact CG-CE3 3.59Å; K510-W529 HydrophobicContact CG-CH2 4.08Å; K510-W529 HydrophobicContact CG-CZ2 4.5Å; K510-W529 HydrophobicContact CG-CZ3 3.58Å; Y527-W529 HydrophobicContact CD1-CE3 4.48Å; Y527-W529 HydrophobicContact CE1-CE3 4.05Å; Y527-W529 PolarHBondContact O-N 3.12Å
530	D	81.1	Confident	89.9	Confident	157 Å²	157	60.5 Å²	60.5	84%	0.84	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-37.2	-178.4	-73.7	-29.3	0	0	0	112.5	D528	D528-D530 PolarHBondContact O-N 3.41Å
531	S	85	Confident	90.4	Very high	49 Å²	49	60.1 Å²	60.1	34%	0.343	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-7.6	177.2	64.8	0	0	0	0	114.6	D528 Q533	D528-S531 WeakPolarHBondContact CB-OG 3.21Å; D528-S531 PolarHBondContact O-N 3.29Å; D528-S531 WeakPolarHBondContact OD2-CB 3.42Å; D528-S531 PolarHBondContact OD2-N 3.06Å; D528-S531 PolarHBondContact OD2-OG 2.82Å; S531-Q533 WeakPolarHBondContact O-CG 3.14Å; S531-Q533 PolarHBondContact O-N 2.86Å
532	K	85.5	Confident	90.2	Very high	51 Å²	51	57.3 Å²	57.3	22%	0.222	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	32.6	-176.3	-59.1	-71.1	-172.7	156.7	0	112.7	Y527 D528 E562 E565	Y527-K532 HydrophobicContact CE1-CD 4.33Å; Y527-K532 WeakPolarHBondContact OH-CD 3.09Å; D528-K532 WeakPolarHBondContact O-CA 3.3Å; D528-K532 PolarHBondContact O-N 3.45Å; K532-E562 HydrophobicContact CB-CG 4.35Å; K532-E562 HydrophobicContact CG-CG 4.33Å; K532-E565 IonicContact NZ-OE1 2.84Å; K532-E565 IonicContact NZ-OE2 2.59Å; K532-E565 PolarHBondContact NZ-OE2 2.93Å; K532-E565 VanDerWaalsContact NZ-OE2 3.15Å
533	Q	90.4	Very high	90	Very high	119 Å²	119	59.2 Å²	59.2	56%	0.556	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	145	-175.8	-72.3	176.4	10.1	0	0	111.4	D528 S531 L535	D528-Q533 PolarHBondContact N-O 2.85Å; S531-Q533 WeakPolarHBondContact O-CG 3.14Å; S531-Q533 PolarHBondContact O-N 2.86Å; Q533-L535 HydrophobicContact CB-CD2 4.18Å; Q533-L535 HydrophobicContact CB-CG 4.45Å; Q533-L535 PolarHBondContact O-N 2.82Å
534	C	94.2	Very high	89.7	Confident	18 Å²	18	56.1 Å²	56.1	12%	0.122	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.8	165.9	-71.7	0	0	0	0	109.6	Y526 I552 C555 Q556	Y526-C534 CarbonylContact O-C 3.52Å; Y526-C534 VanDerWaalsContact O-CA 3.32Å; Y526-C534 WeakPolarHBondContact O-CA 3.23Å; C534-I552 HydrophobicContact CB-CG1 3.96Å; C534-C555 HydrophobicContact CB-CB 3.77Å; C534-C555 WeakPolarHBondContact CB-SG 3.13Å; C534-C555 WeakPolarHBondContact SG-CB 3.45Å; C534-C555 CovalentContact SG-SG 2.03Å; C534-C555 PolarHBondContact SG-SG 3.33Å; C534-Q556 HydrophobicContact CB-CG 4.34Å; C534-Q556 PolarHBondContact SG-N 2.81Å; C534-Q556 VanDerWaalsContact SG-N 3.39Å
535	L	93.2	Very high	89.5	Confident	59 Å²	59	56.7 Å²	56.7	31%	0.309	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	150.5	-179.1	-59.9	-179.5	0	0	0	110.3	H525 Y526 D528 Q533	H525-L535 CarbonylContact C-O 3.52Å; H525-L535 WeakPolarHBondContact CA-O 3.21Å; Y526-L535 HydrophobicContact CD1-CB 4.19Å; Y526-L535 VanDerWaalsContact CD1-O 3.26Å; Y526-L535 WeakPolarHBondContact CD1-O 2.92Å; Y526-L535 HydrophobicContact CE1-CB 3.61Å; Y526-L535 PolarHBondContact N-O 3.06Å; Y526-L535 PolarHBondContact O-N 3.11Å; D528-L535 HydrophobicContact CB-CD1 3.69Å; D528-L535 HydrophobicContact CB-CG 4.12Å; Q533-L535 HydrophobicContact CB-CD2 4.18Å; Q533-L535 HydrophobicContact CB-CG 4.45Å; Q533-L535 PolarHBondContact O-N 2.82Å
536	E	95.6	Very high	89.3	Confident	136 Å²	136	58.4 Å²	58.4	64%	0.636	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.8	173.7	-71.3	-177.7	162.9	0	0	111.1	I523 K524 H525	I523-E536 HydrophobicContact CG2-CB 4.36Å; I523-E536 HydrophobicContact CG2-CG 4.19Å; K524-E536 CarbonylContact O-C 3.14Å; K524-E536 WeakPolarHBondContact O-CA 3.19Å; H525-E536 WeakPolarHBondContact NE2-CG 3.33Å; H525-E536 IonicContact NE2-OE1 2.61Å
537	F	93.8	Very high	89.2	Confident	21 Å²	21	56.7 Å²	56.7	9%	0.092	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.6	167.9	81.3	-67.9	0	0	0	111	A513 K524 Y526 N548	A513-F537 HydrophobicContact CB-CB 4.23Å; A513-F537 HydrophobicContact CB-CD2 4.04Å; A513-F537 HydrophobicContact CB-CG 4.06Å; K524-F537 HydrophobicContact CB-CD1 3.97Å; K524-F537 HydrophobicContact CB-CE1 3.43Å; K524-F537 VanDerWaalsContact CB-CE1 3.43Å; K524-F537 HydrophobicContact CB-CZ 3.96Å; K524-F537 PolarHBondContact N-O 2.78Å; K524-F537 WeakPolarHBondContact O-CD1 3.01Å; K524-F537 PolarHBondContact O-N 2.79Å; Y526-F537 HydrophobicContact CD1-CB 3.91Å; Y526-F537 AromaticContact CD1-CD1 3.8Å; Y526-F537 HydrophobicContact CD1-CD1 3.8Å; Y526-F537 HydrophobicContact CD1-CG 4.07Å; Y526-F537 HydrophobicContact CE1-CB 4.2Å; Y526-F537 HydrophobicContact CG-CD1 4.26Å; F537-N548 HydrophobicContact CE1-CB 4.46Å; F537-N548 HydrophobicContact CZ-CB 4.02Å
538	T	92	Very high	89.2	Confident	69 Å²	69	58.3 Å²	58.3	42%	0.423	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.7	175.5	-52.5	0	0	0	0	109.7	P515	P515-T538 WeakPolarHBondContact CB-O 3.48Å
539	Y	91.2	Very high	89.4	Confident	37 Å²	37	57.2 Å²	57.2	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.6	172.6	176.1	-125.8	0	0	0	110.6	A520 F522 K524 G541 C542 E543 N548	A520-Y539 VanDerWaalsContact O-O 3.12Å; F522-Y539 HydrophobicContact CB-CD1 4.45Å; F522-Y539 HydrophobicContact CD2-CD1 4.29Å; F522-Y539 PolarHBondContact N-O 3.36Å; F522-Y539 PolarHBondContact O-N 2.71Å; K524-Y539 HydrophobicContact CG-CD1 4.27Å; K524-Y539 HydrophobicContact CG-CG 4.32Å; Y539-G541 PolarHBondContact O-N 3.1Å; Y539-G541 VanDerWaalsContact O-N 3.1Å; Y539-C542 WeakPolarHBondContact OH-CA 3.41Å; Y539-C542 PolarHBondContact OH-N 2.81Å; Y539-E543 WeakPolarHBondContact CE2-O 3.1Å; Y539-E543 PolarHBondContact OH-O 3.07Å; Y539-N548 VanDerWaalsContact CD2-ND2 3.33Å; Y539-N548 WeakPolarHBondContact CD2-ND2 3.39Å; Y539-N548 WeakPolarHBondContact CE2-ND2 3.25Å
540	G	87.3	Confident	89.9	Confident	4 Å²	4	58.1 Å²	58.1	4%	0.041	32%	0.319	C	S	.	.			trans	-62.3	-11.8	-178.2	0	0	0	0	0	115.1	P515 C518 M519 A520	P515-G540 WeakPolarHBondContact O-CA 3.48Å; P515-G540 PolarHBondContact O-N 3.45Å; C518-G540 CarbonylContact C-O 3.52Å; C518-G540 WeakPolarHBondContact CA-O 3.46Å; C518-G540 WeakPolarHBondContact CB-O 3.06Å; C518-G540 WeakPolarHBondContact O-CA 3.23Å; M519-G540 PolarHBondContact N-O 3.4Å; A520-G540 WeakPolarHBondContact CA-O 3.33Å; A520-G540 WeakPolarHBondContact CB-O 3.34Å; A520-G540 PolarHBondContact N-O 3.04Å; A520-G540 CarbonylContact O-C 3.29Å; A520-G540 WeakPolarHBondContact O-CA 3.46Å
541	G	85.3	Confident	90.4	Very high	32 Å²	32	53.4 Å²	53.4	33%	0.33	30%	0.296	S	S	.	.	S	Bend	trans	88.7	2	178.5	0	0	0	0	0	115.4	Y539	Y539-G541 PolarHBondContact O-N 3.1Å; Y539-G541 VanDerWaalsContact O-N 3.1Å
542	C	84.5	Confident	90.7	Very high	29 Å²	29	54.6 Å²	54.6	20%	0.196	30%	0.298	C	S	.	.	S	Bend	trans	-154.4	161.9	168.2	79.1	0	0	0	0	111.8	G516 C518 Y539	G516-C542 WeakPolarHBondContact CA-O 3.46Å; C518-C542 HydrophobicContact CB-CB 3.77Å; C518-C542 WeakPolarHBondContact CB-SG 3.47Å; C518-C542 WeakPolarHBondContact SG-CB 3.49Å; C518-C542 CovalentContact SG-SG 2Å; C518-C542 PolarHBondContact SG-SG 3.4Å; Y539-C542 WeakPolarHBondContact OH-CA 3.41Å; Y539-C542 PolarHBondContact OH-N 2.81Å
543	E	85.3	Confident	90.9	Very high	149 Å²	149	59 Å²	59	70%	0.696	32%	0.319	S	S	*	.	S	Bend	trans	53.6	-131.2	-169.1	-48	-167.9	170.7	0	0	111.2	P517 Y539	P517-E543 VanDerWaalsContact CD-CB 3.44Å; P517-E543 VanDerWaalsContact CD-CD 3.48Å; P517-E543 VanDerWaalsContact CD-CG 3.46Å; P517-E543 WeakPolarHBondContact CD-OE2 3.13Å; P517-E543 HydrophobicContact CG-CB 4.27Å; P517-E543 HydrophobicContact CG-CG 3.7Å; P517-E543 WeakPolarHBondContact CG-OE2 3.46Å; Y539-E543 WeakPolarHBondContact CE2-O 3.1Å; Y539-E543 PolarHBondContact OH-O 3.07Å
544	G	84.3	Confident	91	Very high	25 Å²	25	57.4 Å²	57.4	26%	0.258	31%	0.312	S	S	.	.			trans	80.6	-171	-170.2	0	0	0	0	0	112.6	D514	D514-G544 VanDerWaalsContact CG-CA 3.49Å; D514-G544 WeakPolarHBondContact O-CA 3.44Å; D514-G544 VanDerWaalsContact OD2-CA 3.31Å; D514-G544 WeakPolarHBondContact OD2-CA 3.49Å
545	N	90.3	Very high	91	Very high	39 Å²	39	56.6 Å²	56.6	21%	0.209	31%	0.306	C	S	.	.			trans	-131.9	-176.4	175.3	68.8	40.7	0	0	0	110.9	L511 P512 D514 N547 N548	L511-N545 HydrophobicContact CD1-CB 4.06Å; P512-N545 PolarHBondContact O-ND2 3.05Å; P512-N545 PolarHBondContact O-OD1 3.19Å; D514-N545 HydrophobicContact CB-CB 4.4Å; D514-N545 VanDerWaalsContact CB-ND2 3.33Å; D514-N545 WeakPolarHBondContact CB-ND2 3.39Å; N545-N547 VanDerWaalsContact C-N 3.25Å; N545-N547 PolarHBondContact O-N 3.41Å; N545-N547 WeakPolarHBondContact OD1-CB 3.48Å; N545-N547 PolarHBondContact OD1-N 2.87Å; N545-N548 WeakPolarHBondContact O-CB 3.28Å
546	A	93.1	Very high	90.9	Very high	57 Å²	57	59.4 Å²	59.4	47%	0.471	32%	0.318	S	S	.	.	S	Bend	trans	-72.2	-11.8	-174.1	0	0	0	0	0	114.4	P508 L511 N548	P508-A546 HydrophobicContact CB-CB 3.86Å; P508-A546 HydrophobicContact CG-CB 3.92Å; L511-A546 HydrophobicContact CD1-CB 3.89Å; A546-N548 PolarHBondContact O-N 3.13Å
547	N	93.6	Very high	90.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.327	C	S	.	.			trans	-80.4	62.3	173.6	-157.4	-2.3	0	0	0	111.1	P508 L511 Y526 Y527 N545 F549	P508-N547 WeakPolarHBondContact O-CB 2.96Å; L511-N547 HydrophobicContact CB-CB 4.04Å; L511-N547 PolarHBondContact O-ND2 3.2Å; Y526-N547 VanDerWaalsContact CA-OD1 3.28Å; Y526-N547 WeakPolarHBondContact CA-OD1 3.23Å; Y526-N547 VanDerWaalsContact CB-O 3.23Å; Y526-N547 WeakPolarHBondContact CB-O 3.3Å; Y526-N547 WeakPolarHBondContact CB-OD1 3.16Å; Y527-N547 PolarHBondContact N-ND2 3.46Å; Y527-N547 PolarHBondContact N-OD1 3.11Å; Y527-N547 PolarHBondContact O-ND2 3.13Å; N545-N547 VanDerWaalsContact C-N 3.25Å; N545-N547 PolarHBondContact O-N 3.41Å; N545-N547 WeakPolarHBondContact OD1-CB 3.48Å; N545-N547 PolarHBondContact OD1-N 2.87Å; N547-F549 VanDerWaalsContact OD1-CE2 3.25Å; N547-F549 WeakPolarHBondContact OD1-CE2 2.96Å
548	N	95	Very high	90.3	Very high	39 Å²	39	63.9 Å²	63.9	21%	0.209	34%	0.343	C	S	.	.			trans	-150.4	88.3	-170.2	-176.2	-7.1	0	0	0	109.2	K524 F537 Y539 N545 A546	K524-N548 VanDerWaalsContact CB-OD1 3.31Å; K524-N548 WeakPolarHBondContact CB-OD1 3.01Å; K524-N548 WeakPolarHBondContact CD-OD1 2.87Å; K524-N548 WeakPolarHBondContact CG-OD1 3.31Å; F537-N548 HydrophobicContact CE1-CB 4.46Å; F537-N548 HydrophobicContact CZ-CB 4.02Å; Y539-N548 VanDerWaalsContact CD2-ND2 3.33Å; Y539-N548 WeakPolarHBondContact CD2-ND2 3.39Å; Y539-N548 WeakPolarHBondContact CE2-ND2 3.25Å; N545-N548 WeakPolarHBondContact O-CB 3.28Å; A546-N548 PolarHBondContact O-N 3.13Å
549	F	95.1	Very high	90.2	Very high	14 Å²	14	60.7 Å²	60.7	6%	0.061	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-101.7	143.2	-176.3	-53.9	-76.4	0	0	0	110.6	P508 H525 N547 E554 C555 C559	P508-F549 HydrophobicContact CB-CZ 4.36Å; H525-F549 HydrophobicContact CB-CB 4.37Å; H525-F549 PolarHBondContact N-O 2.92Å; H525-F549 WeakPolarHBondContact O-CD2 3.22Å; H525-F549 PolarHBondContact O-N 3.24Å; N547-F549 VanDerWaalsContact OD1-CE2 3.25Å; N547-F549 WeakPolarHBondContact OD1-CE2 2.96Å; F549-E554 HydrophobicContact CB-CB 4.25Å; F549-E554 HydrophobicContact CB-CG 4.32Å; F549-E554 HydrophobicContact CD1-CG 4.03Å; F549-C555 HydrophobicContact CB-CB 3.77Å; F549-C555 HydrophobicContact CD2-CB 3.38Å; F549-C555 VanDerWaalsContact CD2-SG 3.58Å; F549-C555 HydrophobicContact CE2-CB 4.09Å; F549-C555 HydrophobicContact CG-CB 3.67Å; F549-C559 VanDerWaalsContact CZ-SG 3.58Å
550	E	92.1	Very high	89.3	Confident	116 Å²	116	61 Å²	61	54%	0.542	33%	0.33	S	S	.	.	S	Bend	trans	-65.6	-42.8	-179.5	-170.6	72.7	-116	0	0	111.2	K524 E554	K524-E550 IonicContact NZ-OE1 3.72Å; K524-E550 PolarHBondContact NZ-OE1 2.02Å; K524-E550 IonicContact NZ-OE2 3.72Å; K524-E550 PolarHBondContact NZ-OE2 2.7Å; E550-E554 VanDerWaalsContact CB-OE2 3.28Å; E550-E554 WeakPolarHBondContact CB-OE2 3.3Å; E550-E554 PolarHBondContact N-OE2 2.81Å
551	T	91.6	Very high	88.1	Confident	59 Å²	59	62.2 Å²	62.2	36%	0.362	34%	0.343	S	S	.	.	S	Bend	trans	-126.8	156.4	-176.5	69.6	0	0	0	0	111.4	E553 E554 C555	T551-E553 PolarHBondContact O-N 3.27Å; T551-E554 PolarHBondContact O-N 2.82Å; T551-E554 PolarHBondContact OG1-N 3.02Å; T551-C555 PolarHBondContact O-N 2.78Å; T551-C555 VanDerWaalsContact O-N 3.1Å
552	I	91.1	Very high	86.5	Confident	73 Å²	73	67.1 Å²	67.1	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-57.8	-34.5	172.5	-163.8	166.7	0	0	0	111.4	H525 C534 C555 Q556	H525-I552 VanDerWaalsContact CD2-CB 3.48Å; H525-I552 WeakPolarHBondContact CD2-CB 3.48Å; H525-I552 PolarHBondContact CE1-N 3.35Å; H525-I552 PolarHBondContact ND1-N 3.37Å; C534-I552 HydrophobicContact CB-CG1 3.96Å; I552-C555 WeakPolarHBondContact O-CB 3.45Å; I552-C555 PolarHBondContact O-N 3.37Å; I552-Q556 HydrophobicContact CG1-CG 4.43Å; I552-Q556 WeakPolarHBondContact O-CB 3.25Å; I552-Q556 VanDerWaalsContact O-CG 3.25Å; I552-Q556 WeakPolarHBondContact O-CG 3.3Å; I552-Q556 PolarHBondContact O-N 3.2Å
553	E	89.6	Confident	85.1	Confident	143 Å²	143	73.7 Å²	73.7	67%	0.668	39%	0.385	S	S	*	.	H	α-helix	trans	-65.7	-41.3	177.3	-62.7	173.2	176.5	0	0	111.9	T551 Q556 K557	T551-E553 PolarHBondContact O-N 3.27Å; E553-Q556 PolarHBondContact O-N 3.41Å; E553-K557 WeakPolarHBondContact O-CB 3.34Å; E553-K557 PolarHBondContact O-N 2Å
554	E	92.5	Very high	83.4	Confident	87 Å²	87	72 Å²	72	41%	0.407	38%	0.377	S	S	.	.	H	α-helix	trans	-66	-40.3	175.9	-173.1	-176.9	-164.7	0	0	111	F549 E550 T551 K557 S558	F549-E554 HydrophobicContact CB-CB 4.25Å; F549-E554 HydrophobicContact CB-CG 4.32Å; F549-E554 HydrophobicContact CD1-CG 4.03Å; E550-E554 VanDerWaalsContact CB-OE2 3.28Å; E550-E554 WeakPolarHBondContact CB-OE2 3.3Å; E550-E554 PolarHBondContact N-OE2 2.81Å; T551-E554 PolarHBondContact O-N 2.82Å; T551-E554 PolarHBondContact OG1-N 3.02Å; E554-K557 PolarHBondContact O-N 3.43Å; E554-S558 VanDerWaalsContact O-CB 3.22Å; E554-S558 WeakPolarHBondContact O-CB 3.09Å; E554-S558 PolarHBondContact O-N 3.36Å; E554-S558 PolarHBondContact O-OG 2.98Å
555	C	94	Very high	81.6	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-49.9	173.8	178.3	0	0	0	0	111.8	H525 C534 F549 T551 I552 K557 S558 C559	H525-C555 HydrophobicContact CB-CB 4.01Å; C534-C555 HydrophobicContact CB-CB 3.77Å; C534-C555 WeakPolarHBondContact CB-SG 3.13Å; C534-C555 WeakPolarHBondContact SG-CB 3.45Å; C534-C555 CovalentContact SG-SG 2.03Å; C534-C555 PolarHBondContact SG-SG 3.33Å; F549-C555 HydrophobicContact CB-CB 3.77Å; F549-C555 HydrophobicContact CD2-CB 3.38Å; F549-C555 VanDerWaalsContact CD2-SG 3.58Å; F549-C555 HydrophobicContact CE2-CB 4.09Å; F549-C555 HydrophobicContact CG-CB 3.67Å; T551-C555 PolarHBondContact O-N 2.78Å; T551-C555 VanDerWaalsContact O-N 3.1Å; I552-C555 WeakPolarHBondContact O-CB 3.45Å; I552-C555 PolarHBondContact O-N 3.37Å; C555-K557 VanDerWaalsContact C-N 3.29Å; C555-K557 PolarHBondContact O-N 2.73Å; C555-S558 PolarHBondContact O-N 3.45Å; C555-C559 WeakPolarHBondContact O-CB 3.21Å; C555-C559 PolarHBondContact O-N 3.01Å
556	Q	90.8	Very high	79.7	Confident	118 Å²	118	78.9 Å²	78.9	55%	0.551	40%	0.401	S	S	*	.	H	α-helix	trans	-64.4	-33.5	179.6	-74.5	173.7	-26.8	0	0	112.5	C534 I552 E553	C534-Q556 HydrophobicContact CB-CG 4.34Å; C534-Q556 PolarHBondContact SG-N 2.81Å; C534-Q556 VanDerWaalsContact SG-N 3.39Å; I552-Q556 HydrophobicContact CG1-CG 4.43Å; I552-Q556 WeakPolarHBondContact O-CB 3.25Å; I552-Q556 VanDerWaalsContact O-CG 3.25Å; I552-Q556 WeakPolarHBondContact O-CG 3.3Å; I552-Q556 PolarHBondContact O-N 3.2Å; E553-Q556 PolarHBondContact O-N 3.41Å
557	K	88.2	Confident	77.7	Confident	189 Å²	189	83.2 Å²	83.2	82%	0.822	41%	0.409	S	S	*	.	H	α-helix	trans	-74.4	-33.7	176.4	-175.3	179.7	177.1	-174.6	0	112.4	E553 E554 C555	E553-K557 WeakPolarHBondContact O-CB 3.34Å; E553-K557 PolarHBondContact O-N 2Å; E554-K557 PolarHBondContact O-N 3.43Å; C555-K557 VanDerWaalsContact C-N 3.29Å; C555-K557 PolarHBondContact O-N 2.73Å
558	S	88.7	Confident	75.6	Confident	63 Å²	63	89 Å²	89	44%	0.441	44%	0.436	S	S	.	.	H	α-helix	trans	-88.4	-23.1	-175.9	-54.8	0	0	0	0	113.2	E554 C555	E554-S558 VanDerWaalsContact O-CB 3.22Å; E554-S558 WeakPolarHBondContact O-CB 3.09Å; E554-S558 PolarHBondContact O-N 3.36Å; E554-S558 PolarHBondContact O-OG 2.98Å; C555-S558 PolarHBondContact O-N 3.45Å
559	C	90.4	Very high	73.5	Confident	2 Å²	2	93.3 Å²	93.3	1%	0.014	46%	0.455	C	S	.	.	S	Bend	trans	-125.4	115.7	-177.5	-64.8	0	0	0	0	111.1	C509 Y527 F549 C555 G561	C509-C559 VanDerWaalsContact CA-SG 3.57Å; C509-C559 HydrophobicContact CB-CB 3.77Å; C509-C559 WeakPolarHBondContact CB-SG 3.48Å; C509-C559 WeakPolarHBondContact SG-CA 3.15Å; C509-C559 WeakPolarHBondContact SG-CB 3.13Å; C509-C559 CovalentContact SG-SG 2.03Å; C509-C559 PolarHBondContact SG-SG 2.95Å; Y527-C559 VanDerWaalsContact CB-SG 3.56Å; Y527-C559 HydrophobicContact CD1-CB 4.21Å; Y527-C559 HydrophobicContact CD2-CB 3.26Å; Y527-C559 HydrophobicContact CE2-CB 3.78Å; Y527-C559 HydrophobicContact CG-CB 3.48Å; Y527-C559 VanDerWaalsContact CG-CB 3.48Å; F549-C559 VanDerWaalsContact CZ-SG 3.58Å; C555-C559 WeakPolarHBondContact O-CB 3.21Å; C555-C559 PolarHBondContact O-N 3.01Å; C559-G561 PolarHBondContact O-N 3.29Å
560	P	73.4	Confident	71.2	Confident	44 Å²	44	98.4 Å²	98.4	29%	0.286	48%	0.479	S	S	.	.			trans	-64.7	131.1	-177.2	24.3	-31.2	0	0	0	111.1	Y527 Q564	Y527-P560 PolarHBondContact OH-O 2.98Å; P560-Q564 HydrophobicContact CB-CB 4.22Å
561	G	61.7	Low	69.2	Low	29 Å²	29	99.4 Å²	99.4	30%	0.299	48%	0.484	S	S	.	.			trans	-80.5	171.5	165.6	0	0	0	0	0	111.5	C559 E563 Q564	C559-G561 PolarHBondContact O-N 3.29Å; G561-E563 PolarHBondContact O-N 2.83Å; G561-Q564 PolarHBondContact O-N 2.84Å
562	E	52.1	Low	67.2	Low	135 Å²	135	103.3 Å²	103.3	63%	0.631	50%	0.498	S	S	*	.	H	α-helix	trans	-48.3	-24.6	-178	-79.9	-177.9	148.9	0	0	114.7	K532 Q564	K532-E562 HydrophobicContact CB-CG 4.35Å; K532-E562 HydrophobicContact CG-CG 4.33Å; E562-Q564 PolarHBondContact O-N 3.3Å
563	E	53.8	Low	65.2	Low	166 Å²	166	107 Å²	107	78%	0.776	51%	0.514	S	S	*	.	H	α-helix	trans	-79.8	-8.2	-175.1	-62.3	-173.4	170.2	0	0	115.6	G561	G561-E563 PolarHBondContact O-N 2.83Å
564	Q	49.6	Very low	63	Low	113 Å²	113	106.5 Å²	106.5	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-106.3	-33.9	177.6	-75.3	-177.1	-41.7	0	0	113.3	P560 G561 E562 E566 K567 E568	P560-Q564 HydrophobicContact CB-CB 4.22Å; G561-Q564 PolarHBondContact O-N 2.84Å; E562-Q564 PolarHBondContact O-N 3.3Å; Q564-E566 VanDerWaalsContact C-N 3.32Å; Q564-E566 PolarHBondContact O-N 3.4Å; Q564-K567 PolarHBondContact O-N 2.8Å; Q564-E568 PolarHBondContact O-N 3.3Å; Q564-E568 VanDerWaalsContact O-N 3.14Å
565	E	46.6	Very low	60.8	Low	67 Å²	67	109.6 Å²	109.6	31%	0.313	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-35.1	174.1	-75.1	-179	150.5	0	0	111.2	K532 K567 E569	K532-E565 IonicContact NZ-OE1 2.84Å; K532-E565 IonicContact NZ-OE2 2.59Å; K532-E565 PolarHBondContact NZ-OE2 2.93Å; K532-E565 VanDerWaalsContact NZ-OE2 3.15Å; E565-K567 VanDerWaalsContact C-N 3.34Å; E565-K567 PolarHBondContact O-N 2.79Å; E565-E569 WeakPolarHBondContact O-CB 3.27Å; E565-E569 WeakPolarHBondContact O-CG 3.48Å; E565-E569 PolarHBondContact O-N 2.92Å; E565-E569 VanDerWaalsContact O-N 3.12Å
566	E	51.1	Low	58.4	Low	142 Å²	142	118.3 Å²	118.3	66%	0.664	56%	0.564	S	S	*	*	H	α-helix	trans	-73	-20.3	177	-69.4	-173.2	165.4	0	0	114.4	Q564	Q564-E566 VanDerWaalsContact C-N 3.32Å; Q564-E566 PolarHBondContact O-N 3.4Å
567	K	50.2	Low	56.1	Low	148 Å²	148	121.2 Å²	121.2	64%	0.643	58%	0.578	S	S	*	*	H	α-helix	trans	-91.5	-30.9	177.8	-79.9	179	179.2	167.1	0	112.9	Q564 E565 E571	Q564-K567 PolarHBondContact O-N 2.8Å; E565-K567 VanDerWaalsContact C-N 3.34Å; E565-K567 PolarHBondContact O-N 2.79Å; K567-E571 WeakPolarHBondContact O-CG 3.41Å; K567-E571 PolarHBondContact O-N 2.71Å
568	E	49.9	Very low	53.8	Low	123 Å²	123	120 Å²	120	58%	0.575	58%	0.575	S	S	*	*	H	α-helix	trans	-77.3	-34.2	175.3	-70.2	178.1	172.3	0	0	111.2	Q564 E571 E572	Q564-E568 PolarHBondContact O-N 3.3Å; Q564-E568 VanDerWaalsContact O-N 3.14Å; E568-E571 PolarHBondContact O-N 3.18Å; E568-E572 PolarHBondContact O-N 3.37Å
569	E	50.3	Low	51.6	Low	129 Å²	129	121 Å²	121	60%	0.603	60%	0.595	S	S	*	*	H	α-helix	trans	-70.7	-31.9	173	-72.1	-177.8	170.5	0	0	113.1	E565 E571 E573	E565-E569 WeakPolarHBondContact O-CB 3.27Å; E565-E569 WeakPolarHBondContact O-CG 3.48Å; E565-E569 PolarHBondContact O-N 2.92Å; E565-E569 VanDerWaalsContact O-N 3.12Å; E569-E571 VanDerWaalsContact C-N 3.34Å; E569-E573 WeakPolarHBondContact O-CB 3.22Å; E569-E573 PolarHBondContact O-N 2.94Å; E569-E573 VanDerWaalsContact O-N 3.13Å
570	E	48	Very low	50.1	Low	120 Å²	120	123.5 Å²	123.5	56%	0.561	62%	0.621	S	S	*	*	H	α-helix	trans	-76.3	-15.9	173.2	-88.2	-164.2	170.5	0	0	114.3	K574	E570-K574 WeakPolarHBondContact O-CD 3.29Å; E570-K574 WeakPolarHBondContact O-CG 3.45Å; E570-K574 PolarHBondContact O-NZ 3.21Å
571	E	48.9	Very low	50.4	Low	137 Å²	137	124.9 Å²	124.9	64%	0.64	63%	0.626	S	S	*	*	H	α-helix	trans	-92.4	-36.6	174.1	-75.4	-176.4	170.6	0	0	111.3	K567 E568 E569 K574 E575	K567-E571 WeakPolarHBondContact O-CG 3.41Å; K567-E571 PolarHBondContact O-N 2.71Å; E568-E571 PolarHBondContact O-N 3.18Å; E569-E571 VanDerWaalsContact C-N 3.34Å; E571-K574 PolarHBondContact O-N 3.34Å; E571-E575 PolarHBondContact O-N 3.39Å
572	E	49.5	Very low	51.6	Low	141 Å²	141	125.3 Å²	125.3	66%	0.659	62%	0.624	S	S	*	*	H	α-helix	trans	-69.2	-35.1	172.2	-78.3	-170.8	156.4	0	0	113.1	E568 K574 E575 E576	E568-E572 PolarHBondContact O-N 3.37Å; E572-K574 PolarHBondContact O-N 3.26Å; E572-E575 PolarHBondContact O-N 2.65Å; E572-E576 PolarHBondContact O-N 3.44Å
573	E	50	Low	53.5	Low	152 Å²	152	119.7 Å²	119.7	71%	0.71	60%	0.599	S	S	*	*	H	α-helix	trans	-70.2	-17.3	173.1	-77.4	-165.8	158.3	0	0	113.3	E569	E569-E573 WeakPolarHBondContact O-CB 3.22Å; E569-E573 PolarHBondContact O-N 2.94Å; E569-E573 VanDerWaalsContact O-N 3.13Å
574	K	44.3	Very low	55.2	Low	131 Å²	131	118.1 Å²	118.1	57%	0.57	59%	0.592	S	S	*	*	H	α-helix	trans	-91.3	-17.1	174.6	-73.9	175.1	-169	137.5	0	113.3	E570 E571 E572	E570-K574 WeakPolarHBondContact O-CD 3.29Å; E570-K574 WeakPolarHBondContact O-CG 3.45Å; E570-K574 PolarHBondContact O-NZ 3.21Å; E571-K574 PolarHBondContact O-N 3.34Å; E572-K574 PolarHBondContact O-N 3.26Å
575	E	45.4	Very low	57.1	Low	152 Å²	152	115.8 Å²	115.8	71%	0.71	58%	0.583	S	S	*	*	H	α-helix	trans	-88	-27	172.5	-70.2	-166.4	161.2	0	0	112.8	E571 E572 E577 Q578	E571-E575 PolarHBondContact O-N 3.39Å; E572-E575 PolarHBondContact O-N 2.65Å; E575-E577 VanDerWaalsContact C-N 3.26Å; E575-E577 PolarHBondContact O-N 3.24Å; E575-Q578 PolarHBondContact O-N 3.31Å; E575-Q578 VanDerWaalsContact O-N 3.11Å
576	E	43.6	Very low	59.3	Low	184 Å²	184	117.1 Å²	117.1	86%	0.86	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-9.7	172.1	-81.6	-158.4	152	0	0	114.6	E572 Q578	E572-E576 PolarHBondContact O-N 3.44Å; E576-Q578 VanDerWaalsContact C-N 3.33Å
577	E	41.5	Very low	61.3	Low	179 Å²	179	112.3 Å²	112.3	84%	0.836	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	4	167.4	-88.3	-162.8	151.3	0	0	113.5	E575	E575-E577 VanDerWaalsContact C-N 3.26Å; E575-E577 PolarHBondContact O-N 3.24Å
578	Q	41.1	Very low	63.4	Low	163 Å²	163	110.1 Å²	110.1	76%	0.762	57%	0.572	S	S	*	*	S	Bend	trans	-125.4	86.8	176.5	-66.1	-172.2	18.5	0	0	112.9	E575 E576	E575-Q578 PolarHBondContact O-N 3.31Å; E575-Q578 VanDerWaalsContact O-N 3.11Å; E576-Q578 VanDerWaalsContact C-N 3.33Å
579	G	42.5	Very low	65.4	Low	83 Å²	83	110 Å²	110	86%	0.856	57%	0.569	S	S	*	*			trans	77.6	33.2	137.9	0	0	0	0	0	119.2
580	G	59.1	Low	67.2	Low	55 Å²	55	105 Å²	105	57%	0.567	55%	0.553	S	S	*	*			trans	-68	143	164.8	0	0	0	0	0	112.3	P582	G580-P582 WeakPolarHBondContact O-CD 3.25Å; G580-P582 VanDerWaalsContact O-N 3.11Å
581	N	78.4	Confident	69.1	Low	73 Å²	73	103.7 Å²	103.7	39%	0.39	56%	0.555	S	S	.	*			trans	-58.3	112.8	177.1	179.7	4.3	0	0	0	110.2	C583 E584	N581-C583 PolarHBondContact O-N 2.89Å; N581-C583 WeakPolarHBondContact OD1-CB 3.29Å; N581-C583 PolarHBondContact OD1-N 3.5Å; N581-C583 VanDerWaalsContact OD1-N 3.16Å; N581-C583 PolarHBondContact OD1-SG 2.03Å; N581-E584 HydrophobicContact CB-CG 4.35Å; N581-E584 PolarHBondContact ND2-OE1 2.84Å; N581-E584 VanDerWaalsContact ND2-OE1 3.08Å; N581-E584 PolarHBondContact O-N 3.47Å; N581-E584 VanDerWaalsContact O-N 3.12Å
582	P	88.1	Confident	71	Confident	39 Å²	39	99.6 Å²	99.6	25%	0.253	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-53.3	-32.1	-178.6	-28.5	37	0	0	0	112.8	G580 E584 L585 A620 N621 F623	G580-P582 WeakPolarHBondContact O-CD 3.25Å; G580-P582 VanDerWaalsContact O-N 3.11Å; P582-E584 PolarHBondContact O-N 2.88Å; P582-L585 PolarHBondContact O-N 2.87Å; P582-A620 HydrophobicContact CB-CB 3.99Å; P582-A620 HydrophobicContact CG-CB 3.95Å; P582-N621 WeakPolarHBondContact O-CB 3.33Å; P582-N621 PolarHBondContact O-ND2 2.97Å; P582-F623 HydrophobicContact CB-CZ 4.02Å
583	C	90.8	Very high	72.7	Confident	16 Å²	16	104.5 Å²	104.5	11%	0.108	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-72.2	-9	-173.7	-41.6	0	0	0	0	114.3	N581 Y601 C633	N581-C583 PolarHBondContact O-N 2.89Å; N581-C583 WeakPolarHBondContact OD1-CB 3.29Å; N581-C583 PolarHBondContact OD1-N 3.5Å; N581-C583 VanDerWaalsContact OD1-N 3.16Å; N581-C583 PolarHBondContact OD1-SG 2.03Å; C583-Y601 HydrophobicContact CB-CD1 3.88Å; C583-Y601 HydrophobicContact CB-CG 4.23Å; C583-Y601 WeakPolarHBondContact O-CD1 2.98Å; C583-C633 VanDerWaalsContact CA-SG 3.51Å; C583-C633 HydrophobicContact CB-CB 3.74Å; C583-C633 WeakPolarHBondContact CB-SG 3.16Å; C583-C633 WeakPolarHBondContact SG-CA 3.25Å; C583-C633 WeakPolarHBondContact SG-CB 3.41Å; C583-C633 CovalentContact SG-SG 2.02Å; C583-C633 PolarHBondContact SG-SG 3.44Å
584	E	89.2	Confident	74.1	Confident	134 Å²	134	99.2 Å²	99.2	63%	0.626	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-99.5	-14.4	179.1	-68.6	175	-156.8	0	0	112.9	N581 P582	N581-E584 HydrophobicContact CB-CG 4.35Å; N581-E584 PolarHBondContact ND2-OE1 2.84Å; N581-E584 VanDerWaalsContact ND2-OE1 3.08Å; N581-E584 PolarHBondContact O-N 3.47Å; N581-E584 VanDerWaalsContact O-N 3.12Å; P582-E584 PolarHBondContact O-N 2.88Å
585	L	90.8	Very high	76.2	Confident	64 Å²	64	96.7 Å²	96.7	34%	0.335	54%	0.539	S	S	.	.	S	Bend	trans	-81.2	148.6	-178.2	-53.3	172.5	0	0	0	110.8	P582 N619 A620 N621	P582-L585 PolarHBondContact O-N 2.87Å; L585-N619 HydrophobicContact CD1-CB 4.1Å; L585-A620 HydrophobicContact CD1-CB 4.07Å; L585-N621 HydrophobicContact CB-CB 4.1Å; L585-N621 PolarHBondContact O-ND2 3.3Å
586	P	92.5	Very high	78.3	Confident	95 Å²	95	94.8 Å²	94.8	62%	0.617	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-74	158	174	31.1	-35.3	0	0	0	111.8	K588 N619	P586-K588 PolarHBondContact O-N 2.88Å; P586-N619 PolarHBondContact O-ND2 2.72Å; P586-N619 PolarHBondContact O-OD1 3.4Å
587	A	92.6	Very high	80.6	Confident	40 Å²	40	90.1 Å²	90.1	33%	0.331	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-58.3	121.5	167.2	0	0	0	0	0	111.3	Y600 F611	A587-Y600 HydrophobicContact CB-CD1 3.86Å; A587-Y600 HydrophobicContact CB-CD2 3.55Å; A587-Y600 HydrophobicContact CB-CE1 4.06Å; A587-Y600 HydrophobicContact CB-CE2 3.74Å; A587-Y600 HydrophobicContact CB-CG 3.62Å; A587-F611 HydrophobicContact CB-CB 3.97Å; A587-F611 HydrophobicContact CB-CD1 4.4Å; A587-F611 HydrophobicContact CB-CD2 3.72Å; A587-F611 HydrophobicContact CB-CE2 4.29Å; A587-F611 HydrophobicContact CB-CG 3.77Å
588	K	94.4	Very high	83.2	Confident	102 Å²	102	83.2 Å²	83.2	44%	0.443	48%	0.48	S	S	.	.			trans	-115.5	106.5	-178.3	-171.7	176.8	-178	-176.5	0	111.7	P586 G590 K617 N619	P586-K588 PolarHBondContact O-N 2.88Å; K588-G590 VanDerWaalsContact C-N 3.34Å; K588-G590 PolarHBondContact O-N 2.83Å; K588-K617 WeakPolarHBondContact CD-O 3.5Å; K588-K617 WeakPolarHBondContact CE-O 3.01Å; K588-N619 HydrophobicContact CB-CB 4.36Å; K588-N619 HydrophobicContact CD-CB 4.15Å
589	K	92.9	Very high	85.9	Confident	120 Å²	120	78.4 Å²	78.4	52%	0.522	46%	0.455	S	S	.	.			trans	-62.4	-37.9	176.3	-178.7	171.5	-179.7	-178.7	0	112.6	I612 G614	K589-I612 WeakPolarHBondContact CB-O 3.31Å; K589-I612 WeakPolarHBondContact CG-O 3.36Å; K589-G614 WeakPolarHBondContact O-CA 3.31Å; K589-G614 PolarHBondContact O-N 3.3Å
590	G	88.4	Confident	88.4	Confident	25 Å²	25	76.1 Å²	76.1	26%	0.258	42%	0.421	S	S	.	.			trans	72.7	173.4	-173.2	0	0	0	0	0	113.6	K588 C616	K588-G590 VanDerWaalsContact C-N 3.34Å; K588-G590 PolarHBondContact O-N 2.83Å; G590-C616 WeakPolarHBondContact CA-O 3.1Å
591	P	86.2	Confident	90.1	Very high	93 Å²	93	74.5 Å²	74.5	60%	0.604	40%	0.398	S	S	*	.	S	Bend	trans	-83.5	-13.3	-171.4	32.5	-33.6	0	0	0	114.2	K617	P591-K617 HydrophobicContact CG-CB 4.33Å; P591-K617 HydrophobicContact CG-CD 4.04Å; P591-K617 HydrophobicContact CG-CG 4.29Å
592	C	89.4	Confident	90.7	Very high	50 Å²	50	72 Å²	72	34%	0.338	39%	0.385	S	S	.	.			trans	-71.3	155.1	177.2	-73	0	0	0	0	111.8	G614 C616	C592-G614 CarbonylContact C-O 3.57Å; C592-G614 WeakPolarHBondContact CB-O 3.34Å; C592-G614 VanDerWaalsContact O-CA 3.22Å; C592-G614 WeakPolarHBondContact O-CA 3.38Å; C592-C616 HydrophobicContact CB-CB 3.85Å; C592-C616 WeakPolarHBondContact CB-SG 3.31Å; C592-C616 PolarHBondContact N-SG 2.87Å; C592-C616 WeakPolarHBondContact SG-CB 3.29Å; C592-C616 CovalentContact SG-SG 2.01Å; C592-C616 PolarHBondContact SG-SG 2.81Å
593	R	85.7	Confident	90.7	Very high	245 Å²	245	76 Å²	76	93%	0.925	40%	0.398	S	S	*	.			trans	-104.6	8.8	-169.9	-62.2	-176.9	179.4	176.8	-1.4	114.4	G614	R593-G614 PolarHBondContact N-O 3.25Å
594	A	79.7	Confident	90.3	Very high	40 Å²	40	81.5 Å²	81.5	33%	0.331	43%	0.427	S	S	.	.			trans	-71.6	158.4	171	0	0	0	0	0	110	F596 G614	A594-F596 HydrophobicContact CB-CD2 3.84Å; A594-F596 HydrophobicContact CB-CE2 3.31Å; A594-F596 HydrophobicContact CB-CZ 3.89Å; A594-G614 WeakPolarHBondContact CB-O 3.32Å; A594-G614 PolarHBondContact N-O 2.94Å; A594-G614 CarbonylContact O-C 3.58Å; A594-G614 VanDerWaalsContact O-CA 3.22Å; A594-G614 WeakPolarHBondContact O-CA 3.49Å
595	A	87.5	Confident	90.3	Very high	78 Å²	78	78.1 Å²	78.1	65%	0.645	42%	0.415	S	S	*	.			trans	-122.7	82	179.6	0	0	0	0	0	109.5	I612	A595-I612 HydrophobicContact CB-CG2 4.06Å
596	F	89.5	Confident	90	Very high	112 Å²	112	80.7 Å²	80.7	49%	0.491	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.8	173.5	-58.1	-70.6	0	0	0	109.2	A594 K598 Y613	A594-F596 HydrophobicContact CB-CD2 3.84Å; A594-F596 HydrophobicContact CB-CE2 3.31Å; A594-F596 HydrophobicContact CB-CZ 3.89Å; F596-K598 HydrophobicContact CB-CG 4.34Å; F596-K598 PolarHBondContact O-N 2.02Å; F596-Y613 HydrophobicContact CD2-CD1 4.42Å; F596-Y613 PolarHBondContact N-O 3.09Å; F596-Y613 PolarHBondContact O-N 3.49Å
597	T	93.3	Very high	89.8	Confident	87 Å²	87	81.4 Å²	81.4	53%	0.534	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	118.3	170.1	-55.8	0	0	0	0	108.4	T610	T597-T610 HydrophobicContact CG2-CG2 4.13Å
598	K	95.7	Very high	89.9	Confident	34 Å²	34	80.4 Å²	80.4	15%	0.148	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	168.5	-179	-69.2	-73.6	-165.8	149.9	0	109.2	F596 T610 F611 Y613 N622 F623 E624	F596-K598 HydrophobicContact CB-CG 4.34Å; F596-K598 PolarHBondContact O-N 2.02Å; K598-T610 CarbonylContact O-C 3.53Å; K598-T610 VanDerWaalsContact O-CA 3.26Å; K598-T610 WeakPolarHBondContact O-CA 3.02Å; K598-F611 HydrophobicContact CB-CD1 4.01Å; K598-F611 HydrophobicContact CB-CE1 3.48Å; K598-F611 VanDerWaalsContact CB-CE1 3.48Å; K598-F611 HydrophobicContact CB-CZ 4.04Å; K598-F611 PolarHBondContact N-O 3.17Å; K598-F611 WeakPolarHBondContact O-CD1 3.13Å; K598-F611 PolarHBondContact O-N 2.76Å; K598-Y613 HydrophobicContact CG-CD1 4.45Å; K598-N622 VanDerWaalsContact CB-OD1 3.27Å; K598-N622 WeakPolarHBondContact CB-OD1 3.44Å; K598-N622 WeakPolarHBondContact CD-OD1 3.28Å; K598-N622 WeakPolarHBondContact CG-OD1 2.92Å; K598-F623 WeakPolarHBondContact CD-O 3.36Å; K598-E624 VanDerWaalsContact CE-OE2 3.27Å; K598-E624 WeakPolarHBondContact CE-OE2 3.32Å; K598-E624 IonicContact NZ-OE2 2.61Å; K598-E624 PolarHBondContact NZ-OE2 3.47Å
599	Y	96.5	Very high	89.9	Confident	62 Å²	62	78.2 Å²	78.2	24%	0.243	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.5	176.1	-64.1	-93.7	0	0	0	110.6	E609 T610 F623 I626	Y599-E609 CarbonylContact C-O 3.54Å; Y599-E609 VanDerWaalsContact CA-O 3.28Å; Y599-E609 WeakPolarHBondContact CA-O 3.49Å; Y599-T610 HydrophobicContact CD1-CG2 3.86Å; Y599-T610 HydrophobicContact CE1-CG2 3.39Å; Y599-F623 PolarHBondContact N-O 2.85Å; Y599-F623 WeakPolarHBondContact O-CD2 3.14Å; Y599-F623 PolarHBondContact O-N 3.49Å; Y599-I626 HydrophobicContact CD1-CB 3.69Å; Y599-I626 HydrophobicContact CD1-CD1 4.42Å; Y599-I626 HydrophobicContact CD1-CG1 4.01Å; Y599-I626 HydrophobicContact CD2-CB 4.48Å; Y599-I626 VanDerWaalsContact CD2-N 3.27Å; Y599-I626 HydrophobicContact CE1-CB 3.56Å; Y599-I626 HydrophobicContact CE1-CD1 4.17Å; Y599-I626 HydrophobicContact CE1-CG1 4.09Å; Y599-I626 HydrophobicContact CE2-CB 4.38Å; Y599-I626 HydrophobicContact CG-CB 4.15Å
600	Y	95.7	Very high	90.1	Very high	35 Å²	35	76.5 Å²	76.5	14%	0.137	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.9	171.5	83.3	-69.8	0	0	0	108.9	A587 N602 C608 E609 F611 N621 C629	A587-Y600 HydrophobicContact CB-CD1 3.86Å; A587-Y600 HydrophobicContact CB-CD2 3.55Å; A587-Y600 HydrophobicContact CB-CE1 4.06Å; A587-Y600 HydrophobicContact CB-CE2 3.74Å; A587-Y600 HydrophobicContact CB-CG 3.62Å; Y600-N602 HydrophobicContact CE2-CB 3.81Å; Y600-N602 PolarHBondContact OH-ND2 2.72Å; Y600-C608 CarbonylContact O-C 3.46Å; Y600-C608 WeakPolarHBondContact O-CA 3.45Å; Y600-E609 HydrophobicContact CD1-CB 4.16Å; Y600-E609 VanDerWaalsContact CD1-O 3.31Å; Y600-E609 WeakPolarHBondContact CD1-O 3.23Å; Y600-E609 HydrophobicContact CE1-CB 3.57Å; Y600-E609 PolarHBondContact N-O 2.81Å; Y600-E609 PolarHBondContact O-N 3.28Å; Y600-E609 PolarHBondContact OH-OE2 3.1Å; Y600-F611 HydrophobicContact CD1-CB 3.9Å; Y600-F611 AromaticContact CD1-CD1 3.85Å; Y600-F611 HydrophobicContact CD1-CD1 3.85Å; Y600-F611 HydrophobicContact CD1-CG 4.13Å; Y600-F611 HydrophobicContact CE1-CB 4.18Å; Y600-F611 HydrophobicContact CG-CD1 4.18Å; Y600-N621 VanDerWaalsContact CA-OD1 3.27Å; Y600-N621 WeakPolarHBondContact CA-OD1 2.97Å; Y600-N621 VanDerWaalsContact CB-O 3.24Å; Y600-N621 WeakPolarHBondContact CB-O 3.38Å; Y600-N621 WeakPolarHBondContact CB-OD1 3.5Å; Y600-C629 VanDerWaalsContact C-SG 3.58Å
601	Y	94.7	Very high	90.4	Very high	21 Å²	21	76.3 Å²	76.3	8%	0.082	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.2	172.4	-174.2	-97.2	0	0	0	109.9	C583 K606 N621 C633	C583-Y601 HydrophobicContact CB-CD1 3.88Å; C583-Y601 HydrophobicContact CB-CG 4.23Å; C583-Y601 WeakPolarHBondContact O-CD1 2.98Å; Y601-K606 WeakPolarHBondContact CE2-O 3.07Å; Y601-K606 WeakPolarHBondContact OH-CA 3.49Å; Y601-K606 WeakPolarHBondContact OH-CD 3.31Å; Y601-K606 PolarHBondContact OH-O 3.01Å; Y601-N621 PolarHBondContact N-OD1 2.91Å; Y601-N621 PolarHBondContact O-ND2 2.75Å; Y601-C633 HydrophobicContact CD1-CB 4.35Å; Y601-C633 HydrophobicContact CD2-CB 3.44Å; Y601-C633 VanDerWaalsContact CD2-CB 3.44Å; Y601-C633 WeakPolarHBondContact CD2-O 3.14Å; Y601-C633 HydrophobicContact CE2-CB 4.18Å; Y601-C633 WeakPolarHBondContact CE2-O 3.42Å; Y601-C633 HydrophobicContact CG-CB 3.54Å
602	N	91.3	Very high	90.7	Very high	20 Å²	20	75.4 Å²	75.4	11%	0.107	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.6	175.8	-178.6	-18.5	0	0	0	109.8	Y600 D604 T605 K606 Q607 E609	Y600-N602 HydrophobicContact CE2-CB 3.81Å; Y600-N602 PolarHBondContact OH-ND2 2.72Å; N602-D604 PolarHBondContact O-N 2.99Å; N602-D604 WeakPolarHBondContact OD1-CB 3.24Å; N602-D604 PolarHBondContact OD1-N 2.74Å; N602-T605 VanDerWaalsContact CB-OG1 3.27Å; N602-T605 WeakPolarHBondContact CB-OG1 3.39Å; N602-T605 VanDerWaalsContact CG-OG1 3.28Å; N602-T605 PolarHBondContact ND2-OG1 3.34Å; N602-T605 PolarHBondContact OD1-N 3.26Å; N602-K606 VanDerWaalsContact O-CA 3.28Å; N602-K606 WeakPolarHBondContact O-CA 3.45Å; N602-K606 PolarHBondContact O-N 3.31Å; N602-Q607 PolarHBondContact N-O 3.48Å; N602-Q607 PolarHBondContact O-N 2.78Å; N602-E609 HydrophobicContact CB-CG 4.19Å; N602-E609 PolarHBondContact ND2-OE1 3.47Å; N602-E609 PolarHBondContact ND2-OE2 3.07Å
603	K	87.1	Confident	90.9	Very high	122 Å²	122	75 Å²	75	53%	0.53	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24	-178	70.9	179.8	-177.9	-178.8	0	114.5	K606	K603-K606 WeakPolarHBondContact O-CD 2.96Å; K603-K606 VanDerWaalsContact O-CE 3.28Å; K603-K606 WeakPolarHBondContact O-CE 3.36Å; K603-K606 PolarHBondContact O-NZ 3.34Å
604	D	83	Confident	91.2	Very high	133 Å²	133	63.3 Å²	63.3	71%	0.711	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-38.9	-176.3	-62	-34.3	0	0	0	111	N602	N602-D604 PolarHBondContact O-N 2.99Å; N602-D604 WeakPolarHBondContact OD1-CB 3.24Å; N602-D604 PolarHBondContact OD1-N 2.74Å
605	T	88.6	Confident	91.6	Very high	62 Å²	62	63 Å²	63	38%	0.38	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-13.2	176.7	63.2	0	0	0	0	113.3	N602 Q607 E609	N602-T605 VanDerWaalsContact CB-OG1 3.27Å; N602-T605 WeakPolarHBondContact CB-OG1 3.39Å; N602-T605 VanDerWaalsContact CG-OG1 3.28Å; N602-T605 PolarHBondContact ND2-OG1 3.34Å; N602-T605 PolarHBondContact OD1-N 3.26Å; T605-Q607 PolarHBondContact O-N 3.37Å; T605-E609 WeakPolarHBondContact CB-OE1 3.31Å; T605-E609 WeakPolarHBondContact CG2-OE1 3.35Å; T605-E609 PolarHBondContact OG1-OE1 2.94Å
606	K	85.2	Confident	91.7	Very high	118 Å²	118	61 Å²	61	51%	0.513	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	22.5	-174	-56.9	-61.8	-176.3	-156.6	0	114.1	Y601 N602 K603	Y601-K606 WeakPolarHBondContact CE2-O 3.07Å; Y601-K606 WeakPolarHBondContact OH-CA 3.49Å; Y601-K606 WeakPolarHBondContact OH-CD 3.31Å; Y601-K606 PolarHBondContact OH-O 3.01Å; N602-K606 VanDerWaalsContact O-CA 3.28Å; N602-K606 WeakPolarHBondContact O-CA 3.45Å; N602-K606 PolarHBondContact O-N 3.31Å; K603-K606 WeakPolarHBondContact O-CD 2.96Å; K603-K606 VanDerWaalsContact O-CE 3.28Å; K603-K606 WeakPolarHBondContact O-CE 3.36Å; K603-K606 PolarHBondContact O-NZ 3.34Å
607	Q	88.9	Confident	91.6	Very high	111 Å²	111	63.2 Å²	63.2	52%	0.519	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.2	-175.5	-68.3	177	10.6	0	0	111.9	N602 T605 E609	N602-Q607 PolarHBondContact N-O 3.48Å; N602-Q607 PolarHBondContact O-N 2.78Å; T605-Q607 PolarHBondContact O-N 3.37Å; Q607-E609 PolarHBondContact O-N 2.85Å
608	C	94.1	Very high	91.4	Very high	18 Å²	18	60 Å²	60	12%	0.122	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.7	168.3	-75.8	0	0	0	0	110.3	Y600 I626 C629 Q630	Y600-C608 CarbonylContact O-C 3.46Å; Y600-C608 WeakPolarHBondContact O-CA 3.45Å; C608-I626 HydrophobicContact CB-CG1 4.01Å; C608-C629 HydrophobicContact CB-CB 3.77Å; C608-C629 WeakPolarHBondContact CB-SG 3.25Å; C608-C629 WeakPolarHBondContact SG-CB 3.22Å; C608-C629 CovalentContact SG-SG 2.03Å; C608-C629 PolarHBondContact SG-SG 3.47Å; C608-Q630 HydrophobicContact CB-CG 4.14Å; C608-Q630 PolarHBondContact SG-N 3.17Å; C608-Q630 VanDerWaalsContact SG-N 3.38Å
609	E	95.3	Very high	91.1	Very high	56 Å²	56	60.2 Å²	60.2	26%	0.262	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	157.6	-176.8	-70.4	174.7	-168.8	0	0	110.9	Y599 Y600 N602 T605 Q607	Y599-E609 CarbonylContact C-O 3.54Å; Y599-E609 VanDerWaalsContact CA-O 3.28Å; Y599-E609 WeakPolarHBondContact CA-O 3.49Å; Y600-E609 HydrophobicContact CD1-CB 4.16Å; Y600-E609 VanDerWaalsContact CD1-O 3.31Å; Y600-E609 WeakPolarHBondContact CD1-O 3.23Å; Y600-E609 HydrophobicContact CE1-CB 3.57Å; Y600-E609 PolarHBondContact N-O 2.81Å; Y600-E609 PolarHBondContact O-N 3.28Å; Y600-E609 PolarHBondContact OH-OE2 3.1Å; N602-E609 HydrophobicContact CB-CG 4.19Å; N602-E609 PolarHBondContact ND2-OE1 3.47Å; N602-E609 PolarHBondContact ND2-OE2 3.07Å; T605-E609 WeakPolarHBondContact CB-OE1 3.31Å; T605-E609 WeakPolarHBondContact CG2-OE1 3.35Å; T605-E609 PolarHBondContact OG1-OE1 2.94Å; Q607-E609 PolarHBondContact O-N 2.85Å
610	T	95.4	Very high	91	Very high	85 Å²	85	60 Å²	60	52%	0.521	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	141.2	174.7	56.3	0	0	0	0	111.4	T597 K598 Y599	T597-T610 HydrophobicContact CG2-CG2 4.13Å; K598-T610 CarbonylContact O-C 3.53Å; K598-T610 VanDerWaalsContact O-CA 3.26Å; K598-T610 WeakPolarHBondContact O-CA 3.02Å; Y599-T610 HydrophobicContact CD1-CG2 3.86Å; Y599-T610 HydrophobicContact CE1-CG2 3.39Å
611	F	95.4	Very high	90.9	Very high	21 Å²	21	58.3 Å²	58.3	9%	0.092	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	165	168	82.6	-68.9	0	0	0	111.4	A587 K598 Y600 N622	A587-F611 HydrophobicContact CB-CB 3.97Å; A587-F611 HydrophobicContact CB-CD1 4.4Å; A587-F611 HydrophobicContact CB-CD2 3.72Å; A587-F611 HydrophobicContact CB-CE2 4.29Å; A587-F611 HydrophobicContact CB-CG 3.77Å; K598-F611 HydrophobicContact CB-CD1 4.01Å; K598-F611 HydrophobicContact CB-CE1 3.48Å; K598-F611 VanDerWaalsContact CB-CE1 3.48Å; K598-F611 HydrophobicContact CB-CZ 4.04Å; K598-F611 PolarHBondContact N-O 3.17Å; K598-F611 WeakPolarHBondContact O-CD1 3.13Å; K598-F611 PolarHBondContact O-N 2.76Å; Y600-F611 HydrophobicContact CD1-CB 3.9Å; Y600-F611 AromaticContact CD1-CD1 3.85Å; Y600-F611 HydrophobicContact CD1-CD1 3.85Å; Y600-F611 HydrophobicContact CD1-CG 4.13Å; Y600-F611 HydrophobicContact CE1-CB 4.18Å; Y600-F611 HydrophobicContact CG-CD1 4.18Å; F611-N622 HydrophobicContact CE1-CB 4.33Å; F611-N622 HydrophobicContact CZ-CB 3.92Å
612	I	93.6	Very high	90.9	Very high	73 Å²	73	58.8 Å²	58.8	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.4	176.4	-57	-60	0	0	0	109.8	K589 A595	K589-I612 WeakPolarHBondContact CB-O 3.31Å; K589-I612 WeakPolarHBondContact CG-O 3.36Å; A595-I612 HydrophobicContact CB-CG2 4.06Å
613	Y	92.9	Very high	91.1	Very high	42 Å²	42	58.4 Å²	58.4	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.9	171.4	178.8	-131.6	0	0	0	111	F596 K598 G615 C616 N622	F596-Y613 HydrophobicContact CD2-CD1 4.42Å; F596-Y613 PolarHBondContact N-O 3.09Å; F596-Y613 PolarHBondContact O-N 3.49Å; K598-Y613 HydrophobicContact CG-CD1 4.45Å; Y613-G615 PolarHBondContact O-N 2.59Å; Y613-C616 WeakPolarHBondContact OH-CA 3.3Å; Y613-C616 PolarHBondContact OH-N 2.97Å; Y613-N622 WeakPolarHBondContact CD1-ND2 3.24Å; Y613-N622 VanDerWaalsContact CD2-ND2 3.34Å; Y613-N622 WeakPolarHBondContact CD2-ND2 3.15Å; Y613-N622 VanDerWaalsContact CG-ND2 3.26Å
614	G	91	Very high	91.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.313	C	S	.	.			trans	-65.9	-14.7	-178.1	0	0	0	0	0	114.8	K589 C592 R593 A594	K589-G614 WeakPolarHBondContact O-CA 3.31Å; K589-G614 PolarHBondContact O-N 3.3Å; C592-G614 CarbonylContact C-O 3.57Å; C592-G614 WeakPolarHBondContact CB-O 3.34Å; C592-G614 VanDerWaalsContact O-CA 3.22Å; C592-G614 WeakPolarHBondContact O-CA 3.38Å; R593-G614 PolarHBondContact N-O 3.25Å; A594-G614 WeakPolarHBondContact CB-O 3.32Å; A594-G614 PolarHBondContact N-O 2.94Å; A594-G614 CarbonylContact O-C 3.58Å; A594-G614 VanDerWaalsContact O-CA 3.22Å; A594-G614 WeakPolarHBondContact O-CA 3.49Å
615	G	88.7	Confident	91.7	Very high	33 Å²	33	54.7 Å²	54.7	34%	0.34	30%	0.297	S	S	.	.	S	Bend	trans	98.1	-5.6	-179.3	0	0	0	0	0	115.2	Y613	Y613-G615 PolarHBondContact O-N 2.59Å
616	C	90.5	Very high	91.9	Very high	35 Å²	35	54.8 Å²	54.8	24%	0.236	30%	0.295	C	S	.	.	S	Bend	trans	-154.3	161.3	172.6	74.1	0	0	0	0	112.4	G590 C592 Y613 G618	G590-C616 WeakPolarHBondContact CA-O 3.1Å; C592-C616 HydrophobicContact CB-CB 3.85Å; C592-C616 WeakPolarHBondContact CB-SG 3.31Å; C592-C616 PolarHBondContact N-SG 2.87Å; C592-C616 WeakPolarHBondContact SG-CB 3.29Å; C592-C616 CovalentContact SG-SG 2.01Å; C592-C616 PolarHBondContact SG-SG 2.81Å; Y613-C616 WeakPolarHBondContact OH-CA 3.3Å; Y613-C616 PolarHBondContact OH-N 2.97Å; C616-G618 PolarHBondContact O-N 3.25Å; C616-G618 VanDerWaalsContact O-N 3.15Å
617	K	87.7	Confident	92.1	Very high	159 Å²	159	56 Å²	56	69%	0.691	30%	0.302	S	S	*	.	S	Bend	trans	46.6	39.4	179.1	-51.3	-166.1	173.9	-165.1	0	114	K588 P591	K588-K617 WeakPolarHBondContact CD-O 3.5Å; K588-K617 WeakPolarHBondContact CE-O 3.01Å; P591-K617 HydrophobicContact CG-CB 4.33Å; P591-K617 HydrophobicContact CG-CD 4.04Å; P591-K617 HydrophobicContact CG-CG 4.29Å
618	G	87.4	Confident	92.3	Very high	21 Å²	21	54.8 Å²	54.8	22%	0.216	30%	0.297	C	S	.	.			trans	-72.3	-173.8	164	0	0	0	0	0	110.6	C616	C616-G618 PolarHBondContact O-N 3.25Å; C616-G618 VanDerWaalsContact O-N 3.15Å
619	N	90.6	Very high	92.3	Very high	37 Å²	37	54 Å²	54	20%	0.198	29%	0.291	C	S	.	.			trans	-119.3	-178.4	167.7	60.3	13.8	0	0	0	109.5	L585 P586 K588 N621 N622	L585-N619 HydrophobicContact CD1-CB 4.1Å; P586-N619 PolarHBondContact O-ND2 2.72Å; P586-N619 PolarHBondContact O-OD1 3.4Å; K588-N619 HydrophobicContact CB-CB 4.36Å; K588-N619 HydrophobicContact CD-CB 4.15Å; N619-N621 PolarHBondContact O-N 3.35Å; N619-N621 PolarHBondContact OD1-N 3.25Å; N619-N622 WeakPolarHBondContact O-CB 3.46Å
620	A	93.3	Very high	92	Very high	58 Å²	58	56.1 Å²	56.1	48%	0.479	30%	0.301	S	S	.	.	S	Bend	trans	-68	-16.7	-174.3	0	0	0	0	0	114.6	P582 L585 N622	P582-A620 HydrophobicContact CB-CB 3.99Å; P582-A620 HydrophobicContact CG-CB 3.95Å; L585-A620 HydrophobicContact CD1-CB 4.07Å; A620-N622 PolarHBondContact O-N 2.84Å
621	N	94.3	Very high	91.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.314	C	S	.	.			trans	-78.2	61.9	174.7	-155.5	-5.6	0	0	0	111.2	P582 L585 Y600 Y601 N619 F623	P582-N621 WeakPolarHBondContact O-CB 3.33Å; P582-N621 PolarHBondContact O-ND2 2.97Å; L585-N621 HydrophobicContact CB-CB 4.1Å; L585-N621 PolarHBondContact O-ND2 3.3Å; Y600-N621 VanDerWaalsContact CA-OD1 3.27Å; Y600-N621 WeakPolarHBondContact CA-OD1 2.97Å; Y600-N621 VanDerWaalsContact CB-O 3.24Å; Y600-N621 WeakPolarHBondContact CB-O 3.38Å; Y600-N621 WeakPolarHBondContact CB-OD1 3.5Å; Y601-N621 PolarHBondContact N-OD1 2.91Å; Y601-N621 PolarHBondContact O-ND2 2.75Å; N619-N621 PolarHBondContact O-N 3.35Å; N619-N621 PolarHBondContact OD1-N 3.25Å; N621-F623 VanDerWaalsContact OD1-CE2 3.3Å; N621-F623 WeakPolarHBondContact OD1-CE2 3.45Å
622	N	95.3	Very high	91.4	Very high	31 Å²	31	62.7 Å²	62.7	17%	0.166	33%	0.33	C	S	.	.			trans	-152.7	86.9	-169	-175.6	-8.6	0	0	0	110.1	K598 F611 Y613 N619 A620	K598-N622 VanDerWaalsContact CB-OD1 3.27Å; K598-N622 WeakPolarHBondContact CB-OD1 3.44Å; K598-N622 WeakPolarHBondContact CD-OD1 3.28Å; K598-N622 WeakPolarHBondContact CG-OD1 2.92Å; F611-N622 HydrophobicContact CE1-CB 4.33Å; F611-N622 HydrophobicContact CZ-CB 3.92Å; Y613-N622 WeakPolarHBondContact CD1-ND2 3.24Å; Y613-N622 VanDerWaalsContact CD2-ND2 3.34Å; Y613-N622 WeakPolarHBondContact CD2-ND2 3.15Å; Y613-N622 VanDerWaalsContact CG-ND2 3.26Å; N619-N622 WeakPolarHBondContact O-CB 3.46Å; A620-N622 PolarHBondContact O-N 2.84Å
623	F	95.2	Very high	91.2	Very high	12 Å²	12	59.4 Å²	59.4	5%	0.053	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-101.9	144.8	-174.9	-53	-77.3	0	0	0	111	P582 K598 Y599 N621 E628 C629 S632	P582-F623 HydrophobicContact CB-CZ 4.02Å; K598-F623 WeakPolarHBondContact CD-O 3.36Å; Y599-F623 PolarHBondContact N-O 2.85Å; Y599-F623 WeakPolarHBondContact O-CD2 3.14Å; Y599-F623 PolarHBondContact O-N 3.49Å; N621-F623 VanDerWaalsContact OD1-CE2 3.3Å; N621-F623 WeakPolarHBondContact OD1-CE2 3.45Å; F623-E628 HydrophobicContact CB-CB 4.27Å; F623-E628 HydrophobicContact CB-CG 4.33Å; F623-E628 HydrophobicContact CD1-CG 3.97Å; F623-C629 HydrophobicContact CB-CB 3.82Å; F623-C629 HydrophobicContact CD2-CB 3.39Å; F623-C629 VanDerWaalsContact CD2-SG 3.56Å; F623-C629 HydrophobicContact CE2-CB 4.08Å; F623-C629 HydrophobicContact CG-CB 3.69Å; F623-S632 VanDerWaalsContact CE1-CB 3.42Å
624	E	91.9	Very high	90.2	Very high	116 Å²	116	61.5 Å²	61.5	54%	0.542	33%	0.332	S	S	.	.	S	Bend	trans	-69.9	-38.1	179.4	-173.9	70.7	-157.2	0	0	111.2	K598 E628	K598-E624 VanDerWaalsContact CE-OE2 3.27Å; K598-E624 WeakPolarHBondContact CE-OE2 3.32Å; K598-E624 IonicContact NZ-OE2 2.61Å; K598-E624 PolarHBondContact NZ-OE2 3.47Å; E624-E628 PolarHBondContact N-OE2 2.79Å
625	T	91.3	Very high	88.6	Confident	60 Å²	60	67.4 Å²	67.4	37%	0.368	36%	0.359	S	S	.	.	S	Bend	trans	-127.5	155.9	-177.3	71.4	0	0	0	0	111.8	E627 E628 C629	T625-E627 PolarHBondContact O-N 3.34Å; T625-E628 PolarHBondContact O-N 2.84Å; T625-E628 WeakPolarHBondContact OG1-CB 3.49Å; T625-E628 PolarHBondContact OG1-N 3.37Å; T625-E628 VanDerWaalsContact OG1-N 3.11Å; T625-C629 PolarHBondContact O-N 3.44Å; T625-C629 VanDerWaalsContact O-N 3.09Å
626	I	91.9	Very high	86.8	Confident	64 Å²	64	75.1 Å²	75.1	33%	0.328	38%	0.384	S	S	.	.	H	α-helix	trans	-60.2	-34.3	173.7	-166.4	167.3	0	0	0	111.6	Y599 C608 C629 Q630	Y599-I626 HydrophobicContact CD1-CB 3.69Å; Y599-I626 HydrophobicContact CD1-CD1 4.42Å; Y599-I626 HydrophobicContact CD1-CG1 4.01Å; Y599-I626 HydrophobicContact CD2-CB 4.48Å; Y599-I626 VanDerWaalsContact CD2-N 3.27Å; Y599-I626 HydrophobicContact CE1-CB 3.56Å; Y599-I626 HydrophobicContact CE1-CD1 4.17Å; Y599-I626 HydrophobicContact CE1-CG1 4.09Å; Y599-I626 HydrophobicContact CE2-CB 4.38Å; Y599-I626 HydrophobicContact CG-CB 4.15Å; C608-I626 HydrophobicContact CB-CG1 4.01Å; I626-C629 WeakPolarHBondContact O-CB 3.4Å; I626-C629 PolarHBondContact O-N 2.03Å; I626-Q630 HydrophobicContact CG1-CG 4.27Å; I626-Q630 WeakPolarHBondContact O-CB 3.28Å; I626-Q630 VanDerWaalsContact O-CG 3.31Å; I626-Q630 WeakPolarHBondContact O-CG 2.99Å; I626-Q630 PolarHBondContact O-N 3.24Å
627	E	89.6	Confident	84.5	Confident	143 Å²	143	82 Å²	82	67%	0.668	41%	0.413	S	S	*	.	H	α-helix	trans	-65.4	-41.9	178	-64.3	172.9	179.5	0	0	111.5	T625 C629 Q630 K631	T625-E627 PolarHBondContact O-N 3.34Å; E627-C629 VanDerWaalsContact C-N 3.35Å; E627-Q630 PolarHBondContact O-N 3.07Å; E627-K631 WeakPolarHBondContact O-CB 2.96Å; E627-K631 PolarHBondContact O-N 2.86Å
628	E	92.7	Very high	82.1	Confident	87 Å²	87	83.7 Å²	83.7	41%	0.407	42%	0.423	S	S	.	.	H	α-helix	trans	-64.7	-41.2	175.1	-171.9	-176.5	-161.6	0	0	110.9	F623 E624 T625 S632	F623-E628 HydrophobicContact CB-CB 4.27Å; F623-E628 HydrophobicContact CB-CG 4.33Å; F623-E628 HydrophobicContact CD1-CG 3.97Å; E624-E628 PolarHBondContact N-OE2 2.79Å; T625-E628 PolarHBondContact O-N 2.84Å; T625-E628 WeakPolarHBondContact OG1-CB 3.49Å; T625-E628 PolarHBondContact OG1-N 3.37Å; T625-E628 VanDerWaalsContact OG1-N 3.11Å; E628-S632 VanDerWaalsContact O-CB 3.23Å; E628-S632 WeakPolarHBondContact O-CB 2.89Å; E628-S632 PolarHBondContact O-N 2.87Å; E628-S632 PolarHBondContact O-OG 2.83Å
629	C	94	Very high	79.8	Confident	0 Å²	0	89.1 Å²	89.1	0%	0	44%	0.442	C	S	.	.	H	α-helix	trans	-62.1	-51.5	174.3	180	0	0	0	0	111.9	Y600 C608 F623 T625 I626 E627 K631 S632 C633	Y600-C629 VanDerWaalsContact C-SG 3.58Å; C608-C629 HydrophobicContact CB-CB 3.77Å; C608-C629 WeakPolarHBondContact CB-SG 3.25Å; C608-C629 WeakPolarHBondContact SG-CB 3.22Å; C608-C629 CovalentContact SG-SG 2.03Å; C608-C629 PolarHBondContact SG-SG 3.47Å; F623-C629 HydrophobicContact CB-CB 3.82Å; F623-C629 HydrophobicContact CD2-CB 3.39Å; F623-C629 VanDerWaalsContact CD2-SG 3.56Å; F623-C629 HydrophobicContact CE2-CB 4.08Å; F623-C629 HydrophobicContact CG-CB 3.69Å; T625-C629 PolarHBondContact O-N 3.44Å; T625-C629 VanDerWaalsContact O-N 3.09Å; I626-C629 WeakPolarHBondContact O-CB 3.4Å; I626-C629 PolarHBondContact O-N 2.03Å; E627-C629 VanDerWaalsContact C-N 3.35Å; C629-K631 VanDerWaalsContact C-N 3.32Å; C629-K631 PolarHBondContact O-N 3.33Å; C629-S632 PolarHBondContact O-N 3.45Å; C629-C633 WeakPolarHBondContact O-CA 3.45Å; C629-C633 WeakPolarHBondContact O-CB 3.21Å; C629-C633 PolarHBondContact O-N 3.42Å
630	Q	90.3	Very high	77.2	Confident	101 Å²	101	95.8 Å²	95.8	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-65.7	-35.9	-178.1	-73.8	175.3	-32.3	0	0	112.2	C608 I626 E627 C633 P634	C608-Q630 HydrophobicContact CB-CG 4.14Å; C608-Q630 PolarHBondContact SG-N 3.17Å; C608-Q630 VanDerWaalsContact SG-N 3.38Å; I626-Q630 HydrophobicContact CG1-CG 4.27Å; I626-Q630 WeakPolarHBondContact O-CB 3.28Å; I626-Q630 VanDerWaalsContact O-CG 3.31Å; I626-Q630 WeakPolarHBondContact O-CG 2.99Å; I626-Q630 PolarHBondContact O-N 3.24Å; E627-Q630 PolarHBondContact O-N 3.07Å; Q630-C633 CarbonylContact O-C 3.6Å; Q630-P634 WeakPolarHBondContact O-CA 3.43Å
631	K	88.6	Confident	74.7	Confident	185 Å²	185	97 Å²	97	80%	0.804	49%	0.49	S	S	*	.	H	α-helix	trans	-69.1	-36.7	175.6	-175.5	-179	177.3	-173.9	0	112.1	E627 C629	E627-K631 WeakPolarHBondContact O-CB 2.96Å; E627-K631 PolarHBondContact O-N 2.86Å; C629-K631 VanDerWaalsContact C-N 3.32Å; C629-K631 PolarHBondContact O-N 3.33Å
632	S	88.9	Confident	72.8	Confident	60 Å²	60	98.9 Å²	98.9	42%	0.42	51%	0.51	S	S	.	.	H	α-helix	trans	-82.3	-30.7	-179.8	-54.9	0	0	0	0	112.5	F623 E628 C629	F623-S632 VanDerWaalsContact CE1-CB 3.42Å; E628-S632 VanDerWaalsContact O-CB 3.23Å; E628-S632 WeakPolarHBondContact O-CB 2.89Å; E628-S632 PolarHBondContact O-N 2.87Å; E628-S632 PolarHBondContact O-OG 2.83Å; C629-S632 PolarHBondContact O-N 3.45Å
633	C	89.3	Confident	71.9	Confident	4 Å²	4	101.1 Å²	101.1	3%	0.027	52%	0.522	C	S	.	.	S	Bend	trans	-128.3	70.7	-176.7	-61	0	0	0	0	110.5	C583 Y601 C629 Q630 E635	C583-C633 VanDerWaalsContact CA-SG 3.51Å; C583-C633 HydrophobicContact CB-CB 3.74Å; C583-C633 WeakPolarHBondContact CB-SG 3.16Å; C583-C633 WeakPolarHBondContact SG-CA 3.25Å; C583-C633 WeakPolarHBondContact SG-CB 3.41Å; C583-C633 CovalentContact SG-SG 2.02Å; C583-C633 PolarHBondContact SG-SG 3.44Å; Y601-C633 HydrophobicContact CD1-CB 4.35Å; Y601-C633 HydrophobicContact CD2-CB 3.44Å; Y601-C633 VanDerWaalsContact CD2-CB 3.44Å; Y601-C633 WeakPolarHBondContact CD2-O 3.14Å; Y601-C633 HydrophobicContact CE2-CB 4.18Å; Y601-C633 WeakPolarHBondContact CE2-O 3.42Å; Y601-C633 HydrophobicContact CG-CB 3.54Å; C629-C633 WeakPolarHBondContact O-CA 3.45Å; C629-C633 WeakPolarHBondContact O-CB 3.21Å; C629-C633 PolarHBondContact O-N 3.42Å; Q630-C633 CarbonylContact O-C 3.6Å; C633-E635 PolarHBondContact O-N 2.81Å
634	P	71.5	Confident	71.4	Confident	85 Å²	85	102.6 Å²	102.6	55%	0.552	53%	0.533	S	S	*	.			trans	-61.8	139.8	-179.3	24	-32.1	0	0	0	110.7	Q630 K636	Q630-P634 WeakPolarHBondContact O-CA 3.43Å; P634-K636 PolarHBondContact O-N 2.01Å
635	E	58.4	Low	71.3	Confident	124 Å²	124	97.7 Å²	97.7	58%	0.579	51%	0.511	S	S	*	.			trans	-49.8	119	158.8	-72.8	-179.4	174.6	0	0	106.7	C633 E637	C633-E635 PolarHBondContact O-N 2.81Å; E635-E637 PolarHBondContact O-N 3.15Å
636	K	49.3	Very low	71.1	Confident	195 Å²	195	100.9 Å²	100.9	85%	0.848	52%	0.522	S	S	*	.			trans	-64.9	95.1	169.6	-74.1	-172.4	178.5	-178.2	0	106	P634 E638	P634-K636 PolarHBondContact O-N 2.01Å; K636-E638 PolarHBondContact O-N 3.46Å
637	E	43.5	Very low	71	Confident	181 Å²	181	100 Å²	100	85%	0.846	52%	0.518	S	S	*	.			trans	-47.9	125.2	157.7	-71.1	-173.8	164.2	0	0	106.4	E635 E639	E635-E637 PolarHBondContact O-N 3.15Å; E637-E639 PolarHBondContact O-N 3.45Å
638	E	36.3	Very low	71.1	Confident	194 Å²	194	97.6 Å²	97.6	91%	0.907	52%	0.515	S	S	*	.	S	Bend	trans	-49.3	98.3	-178.3	-66.5	178.3	147.8	0	0	110.7	K636	K636-E638 PolarHBondContact O-N 3.46Å
639	E	38.7	Very low	71.1	Confident	134 Å²	134	95.4 Å²	95.4	63%	0.626	51%	0.511	S	S	*	.			trans	-173.3	131.8	160	-107.3	-178.8	-142.9	0	0	106.9	E637 K650	E637-E639 PolarHBondContact O-N 3.45Å; E639-K650 IonicContact OE2-NZ 2.59Å; E639-K650 PolarHBondContact OE2-NZ 2.81Å; E639-K650 VanDerWaalsContact OE2-NZ 3.12Å
640	Q	37.6	Very low	71.1	Confident	178 Å²	178	99 Å²	99	83%	0.832	53%	0.526	S	S	*	.	S	Bend	trans	92.3	95.7	173.2	-48.9	158.7	34.6	0	0	115.1
641	G	40.3	Very low	71.2	Confident	83 Å²	83	99.8 Å²	99.8	86%	0.856	53%	0.529	S	S	*	.			trans	156	-1.4	174.7	0	0	0	0	0	114.8
642	G	53.8	Low	71.1	Confident	40 Å²	40	92.2 Å²	92.2	41%	0.412	50%	0.503	S	S	.	.	S	Bend	trans	-84	159.2	172.9	0	0	0	0	0	112.3
643	N	75.7	Confident	70.7	Confident	77 Å²	77	93.8 Å²	93.8	41%	0.412	51%	0.512	S	S	.	.			trans	-44	121.2	171.8	-179.8	-6.1	0	0	0	110.3	C645 E646	N643-C645 PolarHBondContact O-N 3.37Å; N643-C645 WeakPolarHBondContact OD1-CB 3.38Å; N643-C645 PolarHBondContact OD1-N 3.31Å; N643-C645 VanDerWaalsContact OD1-N 3.1Å; N643-C645 PolarHBondContact OD1-SG 3.17Å; N643-E646 HydrophobicContact CB-CB 4.47Å; N643-E646 HydrophobicContact CB-CG 4.04Å; N643-E646 PolarHBondContact O-N 2.83Å
644	P	85.1	Confident	70.5	Confident	43 Å²	43	96 Å²	96	28%	0.279	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-47.8	-34.3	178.4	-29.7	35.8	0	0	0	113	E646 L647 A682 N683 F685	P644-E646 PolarHBondContact O-N 3.06Å; P644-L647 PolarHBondContact O-N 3.31Å; P644-A682 HydrophobicContact CB-CB 4.05Å; P644-A682 HydrophobicContact CG-CB 3.98Å; P644-N683 WeakPolarHBondContact O-CB 3.36Å; P644-N683 VanDerWaalsContact O-CG 3.28Å; P644-N683 PolarHBondContact O-ND2 3.34Å; P644-F685 HydrophobicContact CB-CZ 4.13Å
645	C	89.8	Confident	71.3	Confident	14 Å²	14	103.9 Å²	103.9	10%	0.095	55%	0.545	C	S	.	.	G	3₁₀ helix	trans	-74.1	-10.4	-176.6	-38.9	0	0	0	0	114	N643 Y663 S694 C695	N643-C645 PolarHBondContact O-N 3.37Å; N643-C645 WeakPolarHBondContact OD1-CB 3.38Å; N643-C645 PolarHBondContact OD1-N 3.31Å; N643-C645 VanDerWaalsContact OD1-N 3.1Å; N643-C645 PolarHBondContact OD1-SG 3.17Å; C645-Y663 HydrophobicContact CB-CD1 3.77Å; C645-Y663 HydrophobicContact CB-CE1 4.24Å; C645-Y663 HydrophobicContact CB-CG 4.16Å; C645-Y663 WeakPolarHBondContact O-CD1 3.49Å; C645-S694 PolarHBondContact SG-O 3.33Å; C645-S694 VanDerWaalsContact SG-O 3.34Å; C645-C695 WeakPolarHBondContact CA-SG 3.49Å; C645-C695 HydrophobicContact CB-CB 3.77Å; C645-C695 WeakPolarHBondContact CB-SG 3.37Å; C645-C695 WeakPolarHBondContact SG-CA 3.49Å; C645-C695 WeakPolarHBondContact SG-CB 3.37Å; C645-C695 CovalentContact SG-SG 2.03Å; C645-C695 PolarHBondContact SG-SG 3.17Å
646	E	87.8	Confident	72.1	Confident	126 Å²	126	99.9 Å²	99.9	59%	0.589	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-98	-7.9	175.8	-65.5	-177.2	177.9	0	0	113	N643 P644	N643-E646 HydrophobicContact CB-CB 4.47Å; N643-E646 HydrophobicContact CB-CG 4.04Å; N643-E646 PolarHBondContact O-N 2.83Å; P644-E646 PolarHBondContact O-N 3.06Å
647	L	89.6	Confident	74	Confident	47 Å²	47	94.3 Å²	94.3	25%	0.246	52%	0.524	C	S	.	.	S	Bend	trans	-89.1	149.7	-177.3	-55.5	171.2	0	0	0	110.9	P644 N681 A682 N683	P644-L647 PolarHBondContact O-N 3.31Å; L647-N681 HydrophobicContact CD1-CB 4.1Å; L647-A682 HydrophobicContact CD1-CB 3.95Å; L647-N683 HydrophobicContact CB-CB 4.04Å; L647-N683 PolarHBondContact O-ND2 2.81Å
648	P	92.2	Very high	76.1	Confident	92 Å²	92	90.7 Å²	90.7	60%	0.597	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-78.5	159.2	177.7	31.3	-36	0	0	0	112.7	K650 N681	P648-K650 PolarHBondContact O-N 3.37Å; P648-N681 PolarHBondContact O-ND2 2.9Å; P648-N681 PolarHBondContact O-OD1 2.79Å
649	A	93.3	Very high	78.7	Confident	40 Å²	40	85.7 Å²	85.7	33%	0.331	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-59.7	119.5	168.1	0	0	0	0	0	111.5	Y662 F673	A649-Y662 HydrophobicContact CB-CD1 3.95Å; A649-Y662 HydrophobicContact CB-CD2 3.58Å; A649-Y662 HydrophobicContact CB-CE1 4.14Å; A649-Y662 HydrophobicContact CB-CE2 3.75Å; A649-Y662 HydrophobicContact CB-CG 3.68Å; A649-F673 HydrophobicContact CB-CB 4.11Å; A649-F673 HydrophobicContact CB-CD2 3.86Å; A649-F673 HydrophobicContact CB-CE2 4.43Å; A649-F673 HydrophobicContact CB-CG 3.92Å
650	K	93.1	Very high	81.4	Confident	75 Å²	75	81 Å²	81	33%	0.326	47%	0.466	S	S	.	.			trans	-118.6	103.7	-176.5	-168.3	169.3	-178.5	175.4	0	111.9	E639 P648 G652 N681	E639-K650 IonicContact OE2-NZ 2.59Å; E639-K650 PolarHBondContact OE2-NZ 2.81Å; E639-K650 VanDerWaalsContact OE2-NZ 3.12Å; P648-K650 PolarHBondContact O-N 3.37Å; K650-G652 VanDerWaalsContact C-N 3.35Å; K650-G652 PolarHBondContact O-N 3.4Å; K650-N681 HydrophobicContact CD-CB 4.38Å
651	K	92.2	Very high	84.2	Confident	119 Å²	119	75.5 Å²	75.5	52%	0.517	44%	0.438	S	S	.	.			trans	-60.4	-37.9	177.9	177.6	169.7	-177.6	178	0	113.5	I674 G676	K651-I674 WeakPolarHBondContact CB-O 3.47Å; K651-I674 VanDerWaalsContact CG-O 3.3Å; K651-I674 WeakPolarHBondContact CG-O 3.45Å; K651-G676 VanDerWaalsContact O-CA 3.22Å; K651-G676 WeakPolarHBondContact O-CA 3.35Å; K651-G676 PolarHBondContact O-N 3.43Å
652	G	86.4	Confident	86.8	Confident	26 Å²	26	73.2 Å²	73.2	27%	0.268	40%	0.404	S	S	.	.			trans	79.4	172.9	-174.2	0	0	0	0	0	114.8	K650 C678 K679	K650-G652 VanDerWaalsContact C-N 3.35Å; K650-G652 PolarHBondContact O-N 3.4Å; G652-C678 WeakPolarHBondContact CA-O 3Å; G652-K679 WeakPolarHBondContact CA-O 2.98Å
653	P	81.4	Confident	88.7	Confident	93 Å²	93	72.4 Å²	72.4	60%	0.604	39%	0.388	S	S	*	.	S	Bend	trans	-84.4	-10.1	-174	33	-34.2	0	0	0	114.4	C678 K679	P653-C678 WeakPolarHBondContact CD-O 3.39Å; P653-K679 HydrophobicContact CG-CB 4.22Å; P653-K679 HydrophobicContact CG-CD 3.99Å; P653-K679 HydrophobicContact CG-CG 4.16Å
654	C	85.1	Confident	89.5	Confident	49 Å²	49	69.8 Å²	69.8	33%	0.331	37%	0.374	S	S	.	.			trans	-77	159.6	178.4	-77.6	0	0	0	0	112.6	G676 C678	C654-G676 CarbonylContact C-O 3.56Å; C654-G676 WeakPolarHBondContact CA-O 3.5Å; C654-G676 WeakPolarHBondContact CB-O 3.33Å; C654-G676 WeakPolarHBondContact O-CA 3.46Å; C654-C678 HydrophobicContact CB-CB 3.81Å; C654-C678 WeakPolarHBondContact CB-SG 2.98Å; C654-C678 PolarHBondContact N-SG 3.44Å; C654-C678 WeakPolarHBondContact SG-CB 3.48Å; C654-C678 CovalentContact SG-SG 2Å; C654-C678 PolarHBondContact SG-SG 2.98Å
655	R	87	Confident	89.6	Confident	251 Å²	251	74.2 Å²	74.2	95%	0.947	39%	0.389	S	S	*	.			trans	-102.2	3.4	-170.1	-61.8	-177.1	-178.7	178.1	0.3	114.5	G676	R655-G676 PolarHBondContact N-O 3.14Å
656	A	76.5	Confident	89.4	Confident	40 Å²	40	80.9 Å²	80.9	33%	0.331	42%	0.424	S	S	.	.			trans	-70.4	162.8	173.1	0	0	0	0	0	110.1	F658 G676	A656-F658 HydrophobicContact CB-CD2 3.81Å; A656-F658 HydrophobicContact CB-CE2 3.27Å; A656-F658 HydrophobicContact CB-CZ 3.82Å; A656-G676 WeakPolarHBondContact CA-O 3.48Å; A656-G676 VanDerWaalsContact CB-O 3.3Å; A656-G676 WeakPolarHBondContact CB-O 3.22Å; A656-G676 PolarHBondContact N-O 3.35Å; A656-G676 VanDerWaalsContact O-CA 3.28Å; A656-G676 WeakPolarHBondContact O-CA 3.34Å
657	A	88.3	Confident	89.5	Confident	78 Å²	78	77.6 Å²	77.6	65%	0.645	41%	0.413	S	S	*	.			trans	-126.9	85.3	178.7	0	0	0	0	0	108.9	I674	A657-I674 HydrophobicContact CB-CG2 3.99Å
658	F	87.4	Confident	89.3	Confident	106 Å²	106	79.9 Å²	79.9	47%	0.465	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.7	174.2	-58.7	-70.1	0	0	0	108.9	A656 K660 Y675 G677	A656-F658 HydrophobicContact CB-CD2 3.81Å; A656-F658 HydrophobicContact CB-CE2 3.27Å; A656-F658 HydrophobicContact CB-CZ 3.82Å; F658-K660 HydrophobicContact CB-CG 4.35Å; F658-K660 PolarHBondContact O-N 2.76Å; F658-Y675 HydrophobicContact CD2-CD1 4.25Å; F658-Y675 PolarHBondContact N-O 2.85Å; F658-Y675 PolarHBondContact O-N 2.65Å; F658-G677 VanDerWaalsContact CE2-CA 3.49Å
659	T	92.1	Very high	89.1	Confident	89 Å²	89	81.6 Å²	81.6	55%	0.546	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	121.1	169.8	-55.2	0	0	0	0	108.3	T672	T659-T672 HydrophobicContact CG2-CG2 4.23Å
660	K	94.8	Very high	89.2	Confident	35 Å²	35	80.7 Å²	80.7	15%	0.152	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	165.5	-177.6	-70.4	-71.6	-164.9	158	0	109.6	F658 T672 F673 N684 F685 E686	F658-K660 HydrophobicContact CB-CG 4.35Å; F658-K660 PolarHBondContact O-N 2.76Å; K660-T672 CarbonylContact O-C 3.44Å; K660-T672 VanDerWaalsContact O-CA 3.25Å; K660-T672 WeakPolarHBondContact O-CA 3.41Å; K660-F673 HydrophobicContact CB-CD1 3.94Å; K660-F673 HydrophobicContact CB-CE1 3.45Å; K660-F673 VanDerWaalsContact CB-CE1 3.45Å; K660-F673 HydrophobicContact CB-CZ 4.08Å; K660-F673 PolarHBondContact N-O 2.64Å; K660-F673 PolarHBondContact O-N 3.08Å; K660-N684 VanDerWaalsContact CB-OD1 3.31Å; K660-N684 WeakPolarHBondContact CB-OD1 3.35Å; K660-N684 WeakPolarHBondContact CD-OD1 3.45Å; K660-N684 WeakPolarHBondContact CG-OD1 3.4Å; K660-F685 WeakPolarHBondContact CD-O 2.94Å; K660-E686 WeakPolarHBondContact CE-OE2 3.31Å; K660-E686 IonicContact NZ-OE2 3.12Å; K660-E686 PolarHBondContact NZ-OE2 3.42Å
661	Y	95.9	Very high	89.3	Confident	63 Å²	63	79.9 Å²	79.9	25%	0.247	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.8	174.8	-64.1	-93.9	0	0	0	110.6	E671 T672 N684 F685 I688	Y661-E671 CarbonylContact C-O 3.11Å; Y661-E671 VanDerWaalsContact CA-O 3.3Å; Y661-E671 WeakPolarHBondContact CA-O 3.36Å; Y661-T672 HydrophobicContact CD1-CG2 4.02Å; Y661-T672 HydrophobicContact CE1-CG2 3.63Å; Y661-N684 WeakPolarHBondContact O-CA 3.31Å; Y661-F685 PolarHBondContact N-O 3.33Å; Y661-F685 WeakPolarHBondContact O-CD2 3.27Å; Y661-F685 PolarHBondContact O-N 2.97Å; Y661-I688 HydrophobicContact CD1-CB 3.81Å; Y661-I688 HydrophobicContact CD1-CG1 4.1Å; Y661-I688 HydrophobicContact CE1-CB 3.6Å; Y661-I688 HydrophobicContact CE1-CD1 4.23Å; Y661-I688 HydrophobicContact CE1-CG1 4.09Å; Y661-I688 HydrophobicContact CE2-CB 4.44Å; Y661-I688 HydrophobicContact CG-CB 4.31Å
662	Y	95.1	Very high	89.4	Confident	35 Å²	35	78.3 Å²	78.3	14%	0.137	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151	170.8	83.3	-71.7	0	0	0	108.9	A649 N664 C670 E671 F673 N683	A649-Y662 HydrophobicContact CB-CD1 3.95Å; A649-Y662 HydrophobicContact CB-CD2 3.58Å; A649-Y662 HydrophobicContact CB-CE1 4.14Å; A649-Y662 HydrophobicContact CB-CE2 3.75Å; A649-Y662 HydrophobicContact CB-CG 3.68Å; Y662-N664 HydrophobicContact CE2-CB 3.75Å; Y662-N664 PolarHBondContact O-N 2.92Å; Y662-N664 PolarHBondContact OH-ND2 3.11Å; Y662-C670 CarbonylContact O-C 3.12Å; Y662-C670 WeakPolarHBondContact O-CA 3.41Å; Y662-E671 HydrophobicContact CD1-CB 4.18Å; Y662-E671 VanDerWaalsContact CD1-O 3.26Å; Y662-E671 WeakPolarHBondContact CD1-O 3.42Å; Y662-E671 HydrophobicContact CE1-CB 3.55Å; Y662-E671 PolarHBondContact N-O 3.16Å; Y662-E671 PolarHBondContact O-N 3Å; Y662-E671 PolarHBondContact OH-OE2 2.82Å; Y662-F673 HydrophobicContact CD1-CB 3.89Å; Y662-F673 AromaticContact CD1-CD1 3.88Å; Y662-F673 HydrophobicContact CD1-CD1 3.88Å; Y662-F673 HydrophobicContact CD1-CG 4.14Å; Y662-F673 HydrophobicContact CE1-CB 4.18Å; Y662-F673 HydrophobicContact CG-CD1 4.21Å; Y662-N683 VanDerWaalsContact CA-OD1 3.26Å; Y662-N683 WeakPolarHBondContact CA-OD1 3.37Å; Y662-N683 WeakPolarHBondContact CB-O 3.27Å; Y662-N683 WeakPolarHBondContact CB-OD1 2.96Å
663	Y	94.5	Very high	89.8	Confident	23 Å²	23	78.2 Å²	78.2	9%	0.09	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.3	171.9	-174.5	-96.7	0	0	0	110.2	C645 N683 C695	C645-Y663 HydrophobicContact CB-CD1 3.77Å; C645-Y663 HydrophobicContact CB-CE1 4.24Å; C645-Y663 HydrophobicContact CB-CG 4.16Å; C645-Y663 WeakPolarHBondContact O-CD1 3.49Å; Y663-N683 PolarHBondContact N-ND2 3.33Å; Y663-N683 PolarHBondContact N-OD1 2.84Å; Y663-N683 PolarHBondContact O-ND2 3.11Å; Y663-C695 HydrophobicContact CD1-CB 4.38Å; Y663-C695 HydrophobicContact CD2-CB 3.38Å; Y663-C695 WeakPolarHBondContact CD2-O 3.43Å; Y663-C695 HydrophobicContact CE2-CB 4.12Å; Y663-C695 WeakPolarHBondContact CE2-O 3.29Å; Y663-C695 HydrophobicContact CG-CB 3.52Å
664	N	92.3	Very high	90.4	Very high	22 Å²	22	77.3 Å²	77.3	12%	0.118	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	112	174.6	-177.7	-15.5	0	0	0	109.6	Y662 D666 T667 K668 Q669 E671	Y662-N664 HydrophobicContact CE2-CB 3.75Å; Y662-N664 PolarHBondContact O-N 2.92Å; Y662-N664 PolarHBondContact OH-ND2 3.11Å; N664-D666 PolarHBondContact O-N 3.22Å; N664-D666 WeakPolarHBondContact OD1-CB 3.31Å; N664-D666 PolarHBondContact OD1-N 3.12Å; N664-T667 VanDerWaalsContact CB-OG1 3.28Å; N664-T667 WeakPolarHBondContact CB-OG1 3.4Å; N664-T667 PolarHBondContact ND2-OG1 3.27Å; N664-T667 PolarHBondContact O-N 3.43Å; N664-T667 PolarHBondContact OD1-N 3.45Å; N664-K668 VanDerWaalsContact O-CA 3.3Å; N664-K668 WeakPolarHBondContact O-CA 3.45Å; N664-K668 PolarHBondContact O-N 2.75Å; N664-Q669 PolarHBondContact N-O 3.12Å; N664-Q669 PolarHBondContact O-N 3.34Å; N664-E671 HydrophobicContact CB-CG 4.23Å; N664-E671 PolarHBondContact ND2-OE1 3.27Å; N664-E671 PolarHBondContact ND2-OE2 3.16Å
665	K	87.6	Confident	90.8	Very high	136 Å²	136	76.9 Å²	76.9	59%	0.591	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.5	179.4	-175	177.4	-179.8	174.3	0	113.5
666	D	85.1	Confident	90.8	Very high	153 Å²	153	64.9 Å²	64.9	82%	0.818	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-37.8	-177.5	-63.3	-36.4	0	0	0	111.8	N664	N664-D666 PolarHBondContact O-N 3.22Å; N664-D666 WeakPolarHBondContact OD1-CB 3.31Å; N664-D666 PolarHBondContact OD1-N 3.12Å
667	T	89	Confident	91	Very high	58 Å²	58	64.6 Å²	64.6	36%	0.356	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-11.5	178.9	62.8	0	0	0	0	113.2	N664 Q669 E671	N664-T667 VanDerWaalsContact CB-OG1 3.28Å; N664-T667 WeakPolarHBondContact CB-OG1 3.4Å; N664-T667 PolarHBondContact ND2-OG1 3.27Å; N664-T667 PolarHBondContact O-N 3.43Å; N664-T667 PolarHBondContact OD1-N 3.45Å; T667-Q669 WeakPolarHBondContact O-CG 3.24Å; T667-Q669 PolarHBondContact O-N 2.92Å; T667-E671 WeakPolarHBondContact CB-OE1 3.22Å; T667-E671 WeakPolarHBondContact CG2-OE1 3.32Å; T667-E671 PolarHBondContact OG1-OE1 3.17Å
668	K	85.7	Confident	90.6	Very high	94 Å²	94	62.6 Å²	62.6	41%	0.409	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	31.1	-172.4	-58.4	-172.2	177.5	-176.7	0	113.1	N664 E698	N664-K668 VanDerWaalsContact O-CA 3.3Å; N664-K668 WeakPolarHBondContact O-CA 3.45Å; N664-K668 PolarHBondContact O-N 2.75Å; K668-E698 HydrophobicContact CD-CB 4.3Å; K668-E698 VanDerWaalsContact NZ-CD 3.33Å; K668-E698 IonicContact NZ-OE1 2.55Å; K668-E698 IonicContact NZ-OE2 3.66Å; K668-E698 PolarHBondContact NZ-OE2 3.13Å
669	Q	89.2	Confident	90.1	Very high	128 Å²	128	65.1 Å²	65.1	60%	0.598	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	152	-176	-70.2	175.7	26.4	0	0	111.3	N664 T667 E671	N664-Q669 PolarHBondContact N-O 3.12Å; N664-Q669 PolarHBondContact O-N 3.34Å; T667-Q669 WeakPolarHBondContact O-CG 3.24Å; T667-Q669 PolarHBondContact O-N 2.92Å; Q669-E671 PolarHBondContact O-N 3.25Å
670	C	94	Very high	89.6	Confident	21 Å²	21	62 Å²	62	14%	0.142	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	116.9	168.4	-74.1	0	0	0	0	109.9	Y662 I688 C691 Q692	Y662-C670 CarbonylContact O-C 3.12Å; Y662-C670 WeakPolarHBondContact O-CA 3.41Å; C670-I688 HydrophobicContact CB-CG1 4.12Å; C670-C691 HydrophobicContact CB-CB 3.8Å; C670-C691 WeakPolarHBondContact CB-SG 3.24Å; C670-C691 WeakPolarHBondContact SG-CB 2.99Å; C670-C691 CovalentContact SG-SG 2.04Å; C670-C691 PolarHBondContact SG-SG 2.58Å; C670-Q692 HydrophobicContact CB-CG 4.39Å
671	E	95.3	Very high	89.3	Confident	58 Å²	58	62 Å²	62	27%	0.271	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	159.2	-178.2	-70.5	174.9	-168.4	0	0	110.8	Y661 Y662 N664 T667 Q669	Y661-E671 CarbonylContact C-O 3.11Å; Y661-E671 VanDerWaalsContact CA-O 3.3Å; Y661-E671 WeakPolarHBondContact CA-O 3.36Å; Y662-E671 HydrophobicContact CD1-CB 4.18Å; Y662-E671 VanDerWaalsContact CD1-O 3.26Å; Y662-E671 WeakPolarHBondContact CD1-O 3.42Å; Y662-E671 HydrophobicContact CE1-CB 3.55Å; Y662-E671 PolarHBondContact N-O 3.16Å; Y662-E671 PolarHBondContact O-N 3Å; Y662-E671 PolarHBondContact OH-OE2 2.82Å; N664-E671 HydrophobicContact CB-CG 4.23Å; N664-E671 PolarHBondContact ND2-OE1 3.27Å; N664-E671 PolarHBondContact ND2-OE2 3.16Å; T667-E671 WeakPolarHBondContact CB-OE1 3.22Å; T667-E671 WeakPolarHBondContact CG2-OE1 3.32Å; T667-E671 PolarHBondContact OG1-OE1 3.17Å; Q669-E671 PolarHBondContact O-N 3.25Å
672	T	95.1	Very high	89.1	Confident	86 Å²	86	61.7 Å²	61.7	53%	0.528	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.3	176	58.4	0	0	0	0	111.9	T659 K660 Y661	T659-T672 HydrophobicContact CG2-CG2 4.23Å; K660-T672 CarbonylContact O-C 3.44Å; K660-T672 VanDerWaalsContact O-CA 3.25Å; K660-T672 WeakPolarHBondContact O-CA 3.41Å; Y661-T672 HydrophobicContact CD1-CG2 4.02Å; Y661-T672 HydrophobicContact CE1-CG2 3.63Å
673	F	94.9	Very high	89	Confident	24 Å²	24	60 Å²	60	11%	0.105	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	166.1	167.6	83.8	-67.5	0	0	0	111.7	A649 K660 Y662 Y675 N684	A649-F673 HydrophobicContact CB-CB 4.11Å; A649-F673 HydrophobicContact CB-CD2 3.86Å; A649-F673 HydrophobicContact CB-CE2 4.43Å; A649-F673 HydrophobicContact CB-CG 3.92Å; K660-F673 HydrophobicContact CB-CD1 3.94Å; K660-F673 HydrophobicContact CB-CE1 3.45Å; K660-F673 VanDerWaalsContact CB-CE1 3.45Å; K660-F673 HydrophobicContact CB-CZ 4.08Å; K660-F673 PolarHBondContact N-O 2.64Å; K660-F673 PolarHBondContact O-N 3.08Å; Y662-F673 HydrophobicContact CD1-CB 3.89Å; Y662-F673 AromaticContact CD1-CD1 3.88Å; Y662-F673 HydrophobicContact CD1-CD1 3.88Å; Y662-F673 HydrophobicContact CD1-CG 4.14Å; Y662-F673 HydrophobicContact CE1-CB 4.18Å; Y662-F673 HydrophobicContact CG-CD1 4.21Å; F673-Y675 HydrophobicContact CE2-CD2 4.47Å; F673-N684 HydrophobicContact CE1-CB 4.32Å; F673-N684 HydrophobicContact CZ-CB 3.99Å
674	I	93.7	Very high	89	Confident	74 Å²	74	60.4 Å²	60.4	38%	0.379	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.5	177.1	-57.1	-60.4	0	0	0	110.1	K651 A657	K651-I674 WeakPolarHBondContact CB-O 3.47Å; K651-I674 VanDerWaalsContact CG-O 3.3Å; K651-I674 WeakPolarHBondContact CG-O 3.45Å; A657-I674 HydrophobicContact CB-CG2 3.99Å
675	Y	92.8	Very high	89.1	Confident	40 Å²	40	59.8 Å²	59.8	16%	0.157	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	129	172	-179	-121.6	0	0	0	111.4	F658 F673 G677 C678 K679 N684	F658-Y675 HydrophobicContact CD2-CD1 4.25Å; F658-Y675 PolarHBondContact N-O 2.85Å; F658-Y675 PolarHBondContact O-N 2.65Å; F673-Y675 HydrophobicContact CE2-CD2 4.47Å; Y675-G677 PolarHBondContact O-N 2.84Å; Y675-C678 VanDerWaalsContact OH-C 3.29Å; Y675-C678 WeakPolarHBondContact OH-CA 3.19Å; Y675-C678 PolarHBondContact OH-N 3.01Å; Y675-K679 PolarHBondContact OH-N 2.79Å; Y675-N684 VanDerWaalsContact CD2-ND2 3.33Å; Y675-N684 WeakPolarHBondContact CD2-ND2 3.18Å
676	G	86.7	Confident	89.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.319	C	S	.	.			trans	-70.7	-13.3	-175.6	0	0	0	0	0	114.7	K651 C654 R655 A656	K651-G676 VanDerWaalsContact O-CA 3.22Å; K651-G676 WeakPolarHBondContact O-CA 3.35Å; K651-G676 PolarHBondContact O-N 3.43Å; C654-G676 CarbonylContact C-O 3.56Å; C654-G676 WeakPolarHBondContact CA-O 3.5Å; C654-G676 WeakPolarHBondContact CB-O 3.33Å; C654-G676 WeakPolarHBondContact O-CA 3.46Å; R655-G676 PolarHBondContact N-O 3.14Å; A656-G676 WeakPolarHBondContact CA-O 3.48Å; A656-G676 VanDerWaalsContact CB-O 3.3Å; A656-G676 WeakPolarHBondContact CB-O 3.22Å; A656-G676 PolarHBondContact N-O 3.35Å; A656-G676 VanDerWaalsContact O-CA 3.28Å; A656-G676 WeakPolarHBondContact O-CA 3.34Å
677	G	81.4	Confident	89.5	Confident	33 Å²	33	54.2 Å²	54.2	34%	0.34	30%	0.296	S	S	.	.	S	Bend	trans	95.9	-4	179.1	0	0	0	0	0	115.8	F658 Y675	F658-G677 VanDerWaalsContact CE2-CA 3.49Å; Y675-G677 PolarHBondContact O-N 2.84Å
678	C	80.9	Confident	89.5	Confident	37 Å²	37	54.1 Å²	54.1	25%	0.25	29%	0.292	C	S	.	.	S	Bend	trans	-155.5	154.5	169.6	74.8	0	0	0	0	110.2	G652 P653 C654 Y675	G652-C678 WeakPolarHBondContact CA-O 3Å; P653-C678 WeakPolarHBondContact CD-O 3.39Å; C654-C678 HydrophobicContact CB-CB 3.81Å; C654-C678 WeakPolarHBondContact CB-SG 2.98Å; C654-C678 PolarHBondContact N-SG 3.44Å; C654-C678 WeakPolarHBondContact SG-CB 3.48Å; C654-C678 CovalentContact SG-SG 2Å; C654-C678 PolarHBondContact SG-SG 2.98Å; Y675-C678 VanDerWaalsContact OH-C 3.29Å; Y675-C678 WeakPolarHBondContact OH-CA 3.19Å; Y675-C678 PolarHBondContact OH-N 3.01Å
679	K	75.8	Confident	89.6	Confident	159 Å²	159	54.6 Å²	54.6	69%	0.691	30%	0.296	S	S	*	.	S	Bend	trans	46.8	105.2	-176.6	-47.7	-166.9	177	-173.4	0	112.7	G652 P653 Y675	G652-K679 WeakPolarHBondContact CA-O 2.98Å; P653-K679 HydrophobicContact CG-CB 4.22Å; P653-K679 HydrophobicContact CG-CD 3.99Å; P653-K679 HydrophobicContact CG-CG 4.16Å; Y675-K679 PolarHBondContact OH-N 2.79Å
680	G	81.9	Confident	89.7	Confident	24 Å²	24	52.4 Å²	52.4	25%	0.247	29%	0.286	C	S	.	.			trans	-135.8	-149.3	174.8	0	0	0	0	0	109.5
681	N	89	Confident	89.7	Confident	33 Å²	33	51.4 Å²	51.4	18%	0.176	28%	0.279	C	S	.	.			trans	-135.1	-177.8	163.8	59.7	19.1	0	0	0	108.6	L647 P648 K650 N683	L647-N681 HydrophobicContact CD1-CB 4.1Å; P648-N681 PolarHBondContact O-ND2 2.9Å; P648-N681 PolarHBondContact O-OD1 2.79Å; K650-N681 HydrophobicContact CD-CB 4.38Å; N681-N683 PolarHBondContact O-N 3.19Å; N681-N683 PolarHBondContact OD1-N 2.03Å
682	A	91.3	Very high	89.4	Confident	57 Å²	57	53.7 Å²	53.7	47%	0.471	29%	0.29	S	S	.	.	S	Bend	trans	-70.7	-11.9	-174.3	0	0	0	0	0	114.4	P644 L647 N684	P644-A682 HydrophobicContact CB-CB 4.05Å; P644-A682 HydrophobicContact CG-CB 3.98Å; L647-A682 HydrophobicContact CD1-CB 3.95Å; A682-N684 PolarHBondContact O-N 3.11Å
683	N	93	Very high	89	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.			trans	-82.2	65	174.9	-158.8	-3	0	0	0	111.1	P644 L647 Y662 Y663 N681 F685	P644-N683 WeakPolarHBondContact O-CB 3.36Å; P644-N683 VanDerWaalsContact O-CG 3.28Å; P644-N683 PolarHBondContact O-ND2 3.34Å; L647-N683 HydrophobicContact CB-CB 4.04Å; L647-N683 PolarHBondContact O-ND2 2.81Å; Y662-N683 VanDerWaalsContact CA-OD1 3.26Å; Y662-N683 WeakPolarHBondContact CA-OD1 3.37Å; Y662-N683 WeakPolarHBondContact CB-O 3.27Å; Y662-N683 WeakPolarHBondContact CB-OD1 2.96Å; Y663-N683 PolarHBondContact N-ND2 3.33Å; Y663-N683 PolarHBondContact N-OD1 2.84Å; Y663-N683 PolarHBondContact O-ND2 3.11Å; N681-N683 PolarHBondContact O-N 3.19Å; N681-N683 PolarHBondContact OD1-N 2.03Å; N683-F685 VanDerWaalsContact OD1-CE2 3.3Å; N683-F685 WeakPolarHBondContact OD1-CE2 3.42Å
684	N	94.1	Very high	88.7	Confident	32 Å²	32	58.9 Å²	58.9	17%	0.171	32%	0.315	C	S	.	.			trans	-156.3	92.7	-171.3	-178	-2.7	0	0	0	110	K660 Y661 F673 Y675 A682	K660-N684 VanDerWaalsContact CB-OD1 3.31Å; K660-N684 WeakPolarHBondContact CB-OD1 3.35Å; K660-N684 WeakPolarHBondContact CD-OD1 3.45Å; K660-N684 WeakPolarHBondContact CG-OD1 3.4Å; Y661-N684 WeakPolarHBondContact O-CA 3.31Å; F673-N684 HydrophobicContact CE1-CB 4.32Å; F673-N684 HydrophobicContact CZ-CB 3.99Å; Y675-N684 VanDerWaalsContact CD2-ND2 3.33Å; Y675-N684 WeakPolarHBondContact CD2-ND2 3.18Å; A682-N684 PolarHBondContact O-N 3.11Å
685	F	94.7	Very high	88.5	Confident	9 Å²	9	55.4 Å²	55.4	4%	0.039	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-107.6	144.7	-173.7	-51.6	-76.6	0	0	0	110.8	P644 K660 Y661 N683 E690 C691 S694	P644-F685 HydrophobicContact CB-CZ 4.13Å; K660-F685 WeakPolarHBondContact CD-O 2.94Å; Y661-F685 PolarHBondContact N-O 3.33Å; Y661-F685 WeakPolarHBondContact O-CD2 3.27Å; Y661-F685 PolarHBondContact O-N 2.97Å; N683-F685 VanDerWaalsContact OD1-CE2 3.3Å; N683-F685 WeakPolarHBondContact OD1-CE2 3.42Å; F685-E690 HydrophobicContact CB-CB 4.22Å; F685-E690 HydrophobicContact CB-CG 4.26Å; F685-E690 HydrophobicContact CD1-CG 3.93Å; F685-C691 HydrophobicContact CB-CB 3.81Å; F685-C691 HydrophobicContact CD2-CB 3.39Å; F685-C691 VanDerWaalsContact CD2-SG 3.55Å; F685-C691 HydrophobicContact CE2-CB 4.08Å; F685-C691 HydrophobicContact CG-CB 3.69Å; F685-S694 WeakPolarHBondContact CE1-OG 3.49Å
686	E	90.5	Very high	87.5	Confident	117 Å²	117	58.1 Å²	58.1	55%	0.547	32%	0.32	S	S	.	.	S	Bend	trans	-69.8	-40.9	178.1	-174.7	70.3	-151.5	0	0	111.3	K660 E690	K660-E686 WeakPolarHBondContact CE-OE2 3.31Å; K660-E686 IonicContact NZ-OE2 3.12Å; K660-E686 PolarHBondContact NZ-OE2 3.42Å; E686-E690 WeakPolarHBondContact CB-OE2 3.48Å; E686-E690 PolarHBondContact N-OE2 2.76Å
687	T	89.7	Confident	86.1	Confident	55 Å²	55	59.4 Å²	59.4	34%	0.337	33%	0.333	S	S	.	.	S	Bend	trans	-124.8	162.4	-177.6	85.4	0	0	0	0	112.3	E689 E690 C691	T687-E689 VanDerWaalsContact C-N 3.26Å; T687-E689 WeakPolarHBondContact CB-OE2 3.45Å; T687-E689 PolarHBondContact O-N 3.37Å; T687-E689 PolarHBondContact OG1-N 2.01Å; T687-E689 PolarHBondContact OG1-OE2 2.95Å; T687-E690 PolarHBondContact O-N 2.95Å; T687-E690 PolarHBondContact OG1-N 2.81Å; T687-E690 VanDerWaalsContact OG1-N 3.15Å; T687-C691 PolarHBondContact O-N 3.36Å
688	I	90.9	Very high	84.3	Confident	55 Å²	55	64.7 Å²	64.7	28%	0.282	35%	0.349	S	S	.	.	H	α-helix	trans	-66.2	-34.1	175.6	-168	168	0	0	0	110.9	Y661 C670 C691 Q692	Y661-I688 HydrophobicContact CD1-CB 3.81Å; Y661-I688 HydrophobicContact CD1-CG1 4.1Å; Y661-I688 HydrophobicContact CE1-CB 3.6Å; Y661-I688 HydrophobicContact CE1-CD1 4.23Å; Y661-I688 HydrophobicContact CE1-CG1 4.09Å; Y661-I688 HydrophobicContact CE2-CB 4.44Å; Y661-I688 HydrophobicContact CG-CB 4.31Å; C670-I688 HydrophobicContact CB-CG1 4.12Å; I688-C691 WeakPolarHBondContact O-CB 2.9Å; I688-C691 PolarHBondContact O-N 3.27Å; I688-Q692 HydrophobicContact CG1-CG 4.34Å; I688-Q692 WeakPolarHBondContact O-CB 3.12Å; I688-Q692 VanDerWaalsContact O-CG 3.28Å; I688-Q692 WeakPolarHBondContact O-CG 3.31Å; I688-Q692 PolarHBondContact O-N 2.98Å
689	E	87.5	Confident	82.5	Confident	105 Å²	105	70.5 Å²	70.5	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-46.5	177	-58.6	76	-165	0	0	110.7	T687 C691 Q692 E693	T687-E689 VanDerWaalsContact C-N 3.26Å; T687-E689 WeakPolarHBondContact CB-OE2 3.45Å; T687-E689 PolarHBondContact O-N 3.37Å; T687-E689 PolarHBondContact OG1-N 2.01Å; T687-E689 PolarHBondContact OG1-OE2 2.95Å; E689-C691 VanDerWaalsContact C-N 3.28Å; E689-C691 PolarHBondContact O-N 3.18Å; E689-Q692 PolarHBondContact O-N 2.7Å; E689-E693 WeakPolarHBondContact O-CB 3.08Å; E689-E693 VanDerWaalsContact O-CG 3.29Å; E689-E693 WeakPolarHBondContact O-CG 3.48Å; E689-E693 PolarHBondContact O-N 3.33Å
690	E	90.6	Very high	80.6	Confident	81 Å²	81	72.3 Å²	72.3	38%	0.379	38%	0.383	S	S	.	.	H	α-helix	trans	-60.8	-39.4	176.7	-171.7	-169.6	179.9	0	0	111.5	F685 E686 T687 S694	F685-E690 HydrophobicContact CB-CB 4.22Å; F685-E690 HydrophobicContact CB-CG 4.26Å; F685-E690 HydrophobicContact CD1-CG 3.93Å; E686-E690 WeakPolarHBondContact CB-OE2 3.48Å; E686-E690 PolarHBondContact N-OE2 2.76Å; T687-E690 PolarHBondContact O-N 2.95Å; T687-E690 PolarHBondContact OG1-N 2.81Å; T687-E690 VanDerWaalsContact OG1-N 3.15Å; E690-S694 WeakPolarHBondContact O-CB 3.45Å; E690-S694 PolarHBondContact O-N 2.85Å; E690-S694 PolarHBondContact O-OG 3.49Å
691	C	93.5	Very high	78.3	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-65.2	-44.9	174.6	-179.8	0	0	0	0	112.1	C670 F685 T687 I688 E689 S694 C695	C670-C691 HydrophobicContact CB-CB 3.8Å; C670-C691 WeakPolarHBondContact CB-SG 3.24Å; C670-C691 WeakPolarHBondContact SG-CB 2.99Å; C670-C691 CovalentContact SG-SG 2.04Å; C670-C691 PolarHBondContact SG-SG 2.58Å; F685-C691 HydrophobicContact CB-CB 3.81Å; F685-C691 HydrophobicContact CD2-CB 3.39Å; F685-C691 VanDerWaalsContact CD2-SG 3.55Å; F685-C691 HydrophobicContact CE2-CB 4.08Å; F685-C691 HydrophobicContact CG-CB 3.69Å; T687-C691 PolarHBondContact O-N 3.36Å; I688-C691 WeakPolarHBondContact O-CB 2.9Å; I688-C691 PolarHBondContact O-N 3.27Å; E689-C691 VanDerWaalsContact C-N 3.28Å; E689-C691 PolarHBondContact O-N 3.18Å; C691-S694 PolarHBondContact O-N 2.86Å; C691-C695 WeakPolarHBondContact O-CA 3.46Å; C691-C695 VanDerWaalsContact O-CB 3.29Å; C691-C695 WeakPolarHBondContact O-CB 3.31Å; C691-C695 PolarHBondContact O-N 3.16Å
692	Q	89.9	Confident	75.8	Confident	107 Å²	107	82.1 Å²	82.1	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-69.7	-35.9	-179.4	-73.9	174.5	-32.6	0	0	112.4	C670 I688 E689 C695 P696	C670-Q692 HydrophobicContact CB-CG 4.39Å; I688-Q692 HydrophobicContact CG1-CG 4.34Å; I688-Q692 WeakPolarHBondContact O-CB 3.12Å; I688-Q692 VanDerWaalsContact O-CG 3.28Å; I688-Q692 WeakPolarHBondContact O-CG 3.31Å; I688-Q692 PolarHBondContact O-N 2.98Å; E689-Q692 PolarHBondContact O-N 2.7Å; Q692-C695 CarbonylContact O-C 3.48Å; Q692-P696 WeakPolarHBondContact O-CA 3.11Å
693	E	86.4	Confident	73	Confident	162 Å²	162	88.8 Å²	88.8	76%	0.757	44%	0.443	S	S	*	.	H	α-helix	trans	-68.9	-39.4	174.4	-73.9	179.7	172.3	0	0	111.7	E689	E689-E693 WeakPolarHBondContact O-CB 3.08Å; E689-E693 VanDerWaalsContact O-CG 3.29Å; E689-E693 WeakPolarHBondContact O-CG 3.48Å; E689-E693 PolarHBondContact O-N 3.33Å
694	S	88.3	Confident	70.3	Confident	56 Å²	56	94.8 Å²	94.8	39%	0.392	47%	0.471	S	S	.	.	H	α-helix	trans	-81.1	-30.9	-179.4	-58.7	0	0	0	0	113.2	C645 F685 E690 C691	C645-S694 PolarHBondContact SG-O 3.33Å; C645-S694 VanDerWaalsContact SG-O 3.34Å; F685-S694 WeakPolarHBondContact CE1-OG 3.49Å; E690-S694 WeakPolarHBondContact O-CB 3.45Å; E690-S694 PolarHBondContact O-N 2.85Å; E690-S694 PolarHBondContact O-OG 3.49Å; C691-S694 PolarHBondContact O-N 2.86Å
695	C	89	Confident	67.6	Low	1 Å²	1	103 Å²	103	1%	0.007	51%	0.508	C	S	.	.	S	Bend	trans	-133.9	74.5	-176.3	-65.8	0	0	0	0	110.3	C645 Y663 C691 Q692 G697	C645-C695 WeakPolarHBondContact CA-SG 3.49Å; C645-C695 HydrophobicContact CB-CB 3.77Å; C645-C695 WeakPolarHBondContact CB-SG 3.37Å; C645-C695 WeakPolarHBondContact SG-CA 3.49Å; C645-C695 WeakPolarHBondContact SG-CB 3.37Å; C645-C695 CovalentContact SG-SG 2.03Å; C645-C695 PolarHBondContact SG-SG 3.17Å; Y663-C695 HydrophobicContact CD1-CB 4.38Å; Y663-C695 HydrophobicContact CD2-CB 3.38Å; Y663-C695 WeakPolarHBondContact CD2-O 3.43Å; Y663-C695 HydrophobicContact CE2-CB 4.12Å; Y663-C695 WeakPolarHBondContact CE2-O 3.29Å; Y663-C695 HydrophobicContact CG-CB 3.52Å; C691-C695 WeakPolarHBondContact O-CA 3.46Å; C691-C695 VanDerWaalsContact O-CB 3.29Å; C691-C695 WeakPolarHBondContact O-CB 3.31Å; C691-C695 PolarHBondContact O-N 3.16Å; Q692-C695 CarbonylContact O-C 3.48Å; C695-G697 PolarHBondContact O-N 2.97Å
696	P	72.4	Confident	65	Low	98 Å²	98	106.7 Å²	106.7	64%	0.636	55%	0.549	S	S	*	.			trans	-57.7	112.4	176.1	22.1	-31	0	0	0	108.5	Q692	Q692-P696 WeakPolarHBondContact O-CA 3.11Å
697	G	56.7	Low	63.2	Low	27 Å²	27	103.8 Å²	103.8	28%	0.278	55%	0.55	S	S	.	*			trans	-54.5	143.5	164.6	0	0	0	0	0	108.1	C695 E699	C695-G697 PolarHBondContact O-N 2.97Å; G697-E699 PolarHBondContact O-N 3.16Å
698	E	45.3	Very low	62.5	Low	143 Å²	143	104.7 Å²	104.7	67%	0.668	55%	0.553	S	S	*	*			trans	-65.3	80.1	167.2	-69.5	178.7	-162.7	0	0	108	K668	K668-E698 HydrophobicContact CD-CB 4.3Å; K668-E698 VanDerWaalsContact NZ-CD 3.33Å; K668-E698 IonicContact NZ-OE1 2.55Å; K668-E698 IonicContact NZ-OE2 3.66Å; K668-E698 PolarHBondContact NZ-OE2 3.13Å
699	E	41.2	Very low	62.1	Low	159 Å²	159	104 Å²	104	74%	0.743	55%	0.552	S	S	*	*			trans	-61	128.7	143.4	-66.3	-166.8	175.3	0	0	105.2	G697 E701	G697-E699 PolarHBondContact O-N 3.16Å; E699-E701 PolarHBondContact O-N 3.49Å
700	E	36.4	Very low	62.2	Low	197 Å²	197	99.6 Å²	99.6	92%	0.921	53%	0.533	S	S	*	.			trans	-57.5	81.1	-177.6	-62.9	176.6	161.8	0	0	110.7
701	E	34	Very low	62	Low	149 Å²	149	102.2 Å²	102.2	70%	0.696	55%	0.545	S	S	*	.			trans	-109.8	91.3	176.7	-66	-148.2	141.8	0	0	108.2	E699 E703	E699-E701 PolarHBondContact O-N 3.49Å; E701-E703 PolarHBondContact O-N 2.85Å
702	E	36.8	Very low	61.8	Low	115 Å²	115	104.7 Å²	104.7	54%	0.537	56%	0.558	S	S	.	*			trans	-40.5	126.8	176.3	-63.6	174.5	165.4	0	0	113.2	E704 K715	E702-E704 PolarHBondContact O-N 3.48Å; E702-E704 VanDerWaalsContact O-N 3.14Å; E702-K715 WeakPolarHBondContact OE2-CD 3.19Å; E702-K715 VanDerWaalsContact OE2-CE 3.32Å; E702-K715 WeakPolarHBondContact OE2-CE 3.24Å; E702-K715 IonicContact OE2-NZ 2.56Å; E702-K715 PolarHBondContact OE2-NZ 3.12Å
703	E	33.1	Very low	61.9	Low	197 Å²	197	103.6 Å²	103.6	92%	0.921	56%	0.56	S	S	*	*			trans	-51.6	111.1	172.3	-66.4	-179.1	150.5	0	0	111.8	E701	E701-E703 PolarHBondContact O-N 2.85Å
704	E	34.6	Very low	62.3	Low	126 Å²	126	97.8 Å²	97.8	59%	0.589	54%	0.54	S	S	*	.			trans	-111.7	105.6	155.5	-86.9	-153.9	163.9	0	0	109.6	E702	E702-E704 PolarHBondContact O-N 3.48Å; E702-E704 VanDerWaalsContact O-N 3.14Å
705	Q	37.8	Very low	62.5	Low	205 Å²	205	98.1 Å²	98.1	96%	0.958	53%	0.534	S	S	*	.	S	Bend	trans	-169.2	92.9	134.1	-101.2	162.4	63.5	0	0	110
706	G	39.9	Very low	62.7	Low	86 Å²	86	103.8 Å²	103.8	89%	0.887	56%	0.559	S	S	*	*	S	Bend	trans	122.3	12.3	157.3	0	0	0	0	0	119.1
707	G	54.2	Low	63.4	Low	56 Å²	56	100.4 Å²	100.4	58%	0.577	54%	0.541	S	S	*	.			trans	-85.2	151.4	177.5	0	0	0	0	0	114.3	P709	G707-P709 WeakPolarHBondContact O-CD 3.49Å
708	N	73.5	Confident	64.8	Low	74 Å²	74	103.4 Å²	103.4	40%	0.396	56%	0.556	S	S	.	*			trans	-56.8	117.8	172.5	178.2	2.8	0	0	0	110.1	C710 E711	N708-C710 PolarHBondContact O-N 3.42Å; N708-C710 WeakPolarHBondContact OD1-CB 3.28Å; N708-C710 PolarHBondContact OD1-N 2.98Å; N708-C710 VanDerWaalsContact OD1-N 3.17Å; N708-C710 PolarHBondContact OD1-SG 2.95Å; N708-E711 HydrophobicContact CB-CG 4.12Å; N708-E711 PolarHBondContact ND2-OE1 3.32Å; N708-E711 PolarHBondContact O-N 3.35Å
709	P	84	Confident	66.7	Low	41 Å²	41	99 Å²	99	27%	0.266	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-52.9	-26.6	-179.1	-28.8	36	0	0	0	113.7	G707 E711 A747 N748 F750	G707-P709 WeakPolarHBondContact O-CD 3.49Å; P709-E711 VanDerWaalsContact C-N 3.27Å; P709-E711 PolarHBondContact O-N 2.95Å; P709-A747 HydrophobicContact CB-CB 3.9Å; P709-A747 HydrophobicContact CG-CB 4.05Å; P709-N748 WeakPolarHBondContact O-CB 3.27Å; P709-N748 VanDerWaalsContact O-CG 3.31Å; P709-F750 HydrophobicContact CB-CZ 4.46Å
710	C	88.4	Confident	68.9	Low	12 Å²	12	103.4 Å²	103.4	8%	0.081	55%	0.55	C	S	.	*	G	3₁₀ helix	trans	-80	-4.8	-176.7	-45.2	0	0	0	0	113.8	N708 Y728 R759 C760	N708-C710 PolarHBondContact O-N 3.42Å; N708-C710 WeakPolarHBondContact OD1-CB 3.28Å; N708-C710 PolarHBondContact OD1-N 2.98Å; N708-C710 VanDerWaalsContact OD1-N 3.17Å; N708-C710 PolarHBondContact OD1-SG 2.95Å; C710-Y728 HydrophobicContact CB-CD1 3.97Å; C710-Y728 HydrophobicContact CB-CG 4.36Å; C710-Y728 VanDerWaalsContact O-CD1 3.28Å; C710-Y728 WeakPolarHBondContact O-CD1 3.5Å; C710-R759 PolarHBondContact SG-O 3.33Å; C710-R759 VanDerWaalsContact SG-O 3.35Å; C710-C760 VanDerWaalsContact CA-SG 3.5Å; C710-C760 HydrophobicContact CB-CB 3.58Å; C710-C760 WeakPolarHBondContact CB-SG 3.43Å; C710-C760 WeakPolarHBondContact SG-CA 3.34Å; C710-C760 WeakPolarHBondContact SG-CB 3.22Å; C710-C760 CovalentContact SG-SG 2.03Å; C710-C760 PolarHBondContact SG-SG 3.32Å
711	E	86	Confident	70.8	Confident	135 Å²	135	96 Å²	96	63%	0.631	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-100.7	-12.1	177.2	-68.4	174.3	-158.4	0	0	112.7	N708 P709	N708-E711 HydrophobicContact CB-CG 4.12Å; N708-E711 PolarHBondContact ND2-OE1 3.32Å; N708-E711 PolarHBondContact O-N 3.35Å; P709-E711 VanDerWaalsContact C-N 3.27Å; P709-E711 PolarHBondContact O-N 2.95Å
712	L	89.5	Confident	73.4	Confident	53 Å²	53	92.9 Å²	92.9	28%	0.277	52%	0.522	S	S	.	.	S	Bend	trans	-79.6	151.6	-179.2	-54.5	169.5	0	0	0	111.2	N746 A747 N748	L712-N746 HydrophobicContact CD1-CB 4.18Å; L712-A747 HydrophobicContact CD1-CB 3.84Å; L712-N748 HydrophobicContact CB-CB 4.01Å; L712-N748 PolarHBondContact O-ND2 3.19Å
713	P	93	Very high	75.8	Confident	84 Å²	84	92.4 Å²	92.4	55%	0.545	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-75	165.1	173.6	31.7	-35.4	0	0	0	112.1	K715 N746	P713-K715 PolarHBondContact O-N 2.96Å; P713-N746 PolarHBondContact O-ND2 2.73Å; P713-N746 PolarHBondContact O-OD1 3.35Å
714	A	93.6	Very high	78.7	Confident	40 Å²	40	87.4 Å²	87.4	33%	0.331	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-69.1	122.9	170.2	0	0	0	0	0	110.6	Y727 F738	A714-Y727 HydrophobicContact CB-CD1 3.84Å; A714-Y727 HydrophobicContact CB-CD2 3.49Å; A714-Y727 VanDerWaalsContact CB-CD2 3.49Å; A714-Y727 HydrophobicContact CB-CE1 4.1Å; A714-Y727 HydrophobicContact CB-CE2 3.75Å; A714-Y727 HydrophobicContact CB-CG 3.53Å; A714-F738 HydrophobicContact CB-CB 4.01Å; A714-F738 HydrophobicContact CB-CD1 4.36Å; A714-F738 HydrophobicContact CB-CD2 3.79Å; A714-F738 HydrophobicContact CB-CE2 4.35Å; A714-F738 HydrophobicContact CB-CG 3.8Å
715	K	93.9	Very high	81.6	Confident	62 Å²	62	83.1 Å²	83.1	27%	0.27	48%	0.481	S	S	.	.			trans	-116.4	109.9	-176.7	-171.8	174.6	-176.8	179	0	112.8	E702 P713 F738 K744 N746	E702-K715 WeakPolarHBondContact OE2-CD 3.19Å; E702-K715 VanDerWaalsContact OE2-CE 3.32Å; E702-K715 WeakPolarHBondContact OE2-CE 3.24Å; E702-K715 IonicContact OE2-NZ 2.56Å; E702-K715 PolarHBondContact OE2-NZ 3.12Å; P713-K715 PolarHBondContact O-N 2.96Å; K715-F738 WeakPolarHBondContact O-CE2 3.27Å; K715-K744 WeakPolarHBondContact CD-O 3.23Å; K715-K744 WeakPolarHBondContact CE-O 2.93Å; K715-N746 HydrophobicContact CB-CB 4.3Å; K715-N746 HydrophobicContact CD-CB 4.15Å
716	K	93.3	Very high	84.3	Confident	121 Å²	121	76.5 Å²	76.5	53%	0.526	45%	0.448	S	S	.	.			trans	-66.7	-39.5	177.3	-179.8	173.3	179.6	-177.4	0	112.8	I739 G741	K716-I739 WeakPolarHBondContact CB-O 3.24Å; K716-I739 WeakPolarHBondContact CG-O 3.29Å; K716-G741 VanDerWaalsContact O-CA 3.24Å; K716-G741 WeakPolarHBondContact O-CA 3.49Å; K716-G741 PolarHBondContact O-N 3.28Å
717	G	87.2	Confident	87	Confident	26 Å²	26	74.1 Å²	74.1	27%	0.268	41%	0.412	S	S	.	.			trans	72.1	175.7	-172.9	0	0	0	0	0	114.2	C743 K744	G717-C743 WeakPolarHBondContact CA-O 3.03Å; G717-K744 WeakPolarHBondContact CA-O 3.3Å
718	P	84.5	Confident	88.9	Confident	91 Å²	91	72.7 Å²	72.7	59%	0.591	39%	0.39	S	S	*	.	S	Bend	trans	-83.9	-11.5	-168.8	32.1	-34.2	0	0	0	114.6	K744	P718-K744 HydrophobicContact CG-CB 4.22Å; P718-K744 HydrophobicContact CG-CD 3.96Å; P718-K744 HydrophobicContact CG-CG 4.06Å
719	C	86.2	Confident	89.7	Confident	50 Å²	50	70.1 Å²	70.1	34%	0.338	38%	0.376	S	S	.	.			trans	-74.1	155.6	179.5	-73.1	0	0	0	0	112.6	G741 C743	C719-G741 CarbonylContact C-O 3.44Å; C719-G741 WeakPolarHBondContact CB-O 3.4Å; C719-G741 VanDerWaalsContact O-CA 3.26Å; C719-G741 WeakPolarHBondContact O-CA 3.38Å; C719-C743 HydrophobicContact CB-CB 3.89Å; C719-C743 WeakPolarHBondContact CB-SG 3.27Å; C719-C743 PolarHBondContact N-SG 2.74Å; C719-C743 VanDerWaalsContact N-SG 3.39Å; C719-C743 WeakPolarHBondContact SG-CB 3.18Å; C719-C743 CovalentContact SG-SG 2.01Å; C719-C743 PolarHBondContact SG-SG 3.13Å
720	R	86.8	Confident	89.8	Confident	251 Å²	251	74.7 Å²	74.7	95%	0.947	39%	0.392	S	S	*	.			trans	-99.1	2.5	-171.5	-64.2	-176.5	179.7	173	0.4	114.7
721	A	76.4	Confident	89.6	Confident	43 Å²	43	80.5 Å²	80.5	36%	0.355	42%	0.422	S	S	.	.			trans	-70.7	158.3	173.9	0	0	0	0	0	110.1	F723 G741	A721-F723 HydrophobicContact CB-CD2 3.89Å; A721-F723 HydrophobicContact CB-CE2 3.29Å; A721-F723 HydrophobicContact CB-CZ 3.83Å; A721-G741 WeakPolarHBondContact CA-O 2.97Å; A721-G741 WeakPolarHBondContact CB-O 3.22Å; A721-G741 PolarHBondContact N-O 2.02Å; A721-G741 CarbonylContact O-C 3.47Å; A721-G741 VanDerWaalsContact O-CA 3.23Å; A721-G741 WeakPolarHBondContact O-CA 3Å
722	A	88.5	Confident	89.8	Confident	82 Å²	82	76.8 Å²	76.8	68%	0.678	41%	0.409	S	S	*	.			trans	-122.7	87.6	-179.3	0	0	0	0	0	109.5	I739	A722-I739 HydrophobicContact CB-CG2 4.16Å
723	F	88	Confident	89.5	Confident	105 Å²	105	81 Å²	81	46%	0.461	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.9	174.8	-57.4	-72.3	0	0	0	109.5	A721 K725 Y740	A721-F723 HydrophobicContact CB-CD2 3.89Å; A721-F723 HydrophobicContact CB-CE2 3.29Å; A721-F723 HydrophobicContact CB-CZ 3.83Å; F723-K725 HydrophobicContact CB-CG 4.38Å; F723-K725 PolarHBondContact O-N 3.21Å; F723-Y740 HydrophobicContact CB-CD1 4.45Å; F723-Y740 HydrophobicContact CD2-CD1 4.18Å; F723-Y740 PolarHBondContact N-O 2.72Å; F723-Y740 PolarHBondContact O-N 3.43Å
724	T	92.8	Very high	89.2	Confident	92 Å²	92	82.9 Å²	82.9	56%	0.564	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	117.7	170.3	-56.2	0	0	0	0	108.9	T737	T724-T737 HydrophobicContact CG2-CG2 4.17Å
725	K	95.7	Very high	89.2	Confident	37 Å²	37	81.4 Å²	81.4	16%	0.161	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	167.6	-179.3	-67.9	-73.1	-167.5	165.2	0	109.8	F723 T737 F738 Y740 N749 E751	F723-K725 HydrophobicContact CB-CG 4.38Å; F723-K725 PolarHBondContact O-N 3.21Å; K725-T737 CarbonylContact O-C 3.41Å; K725-T737 VanDerWaalsContact O-CA 3.25Å; K725-T737 WeakPolarHBondContact O-CA 3.3Å; K725-F738 HydrophobicContact CB-CD1 3.98Å; K725-F738 HydrophobicContact CB-CE1 3.45Å; K725-F738 VanDerWaalsContact CB-CE1 3.45Å; K725-F738 HydrophobicContact CB-CZ 4.01Å; K725-F738 PolarHBondContact N-O 2.75Å; K725-F738 PolarHBondContact O-N 3.39Å; K725-Y740 HydrophobicContact CG-CD1 4.49Å; K725-Y740 HydrophobicContact CG-CG 4.48Å; K725-N749 WeakPolarHBondContact CB-OD1 2.93Å; K725-N749 VanDerWaalsContact CD-OD1 3.31Å; K725-N749 WeakPolarHBondContact CD-OD1 3.03Å; K725-N749 WeakPolarHBondContact CG-OD1 3.19Å; K725-E751 IonicContact NZ-OE2 3.9Å; K725-E751 PolarHBondContact NZ-OE2 2.94Å
726	Y	95.6	Very high	89.3	Confident	65 Å²	65	81.3 Å²	81.3	26%	0.255	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.8	173.3	-69.9	-93	0	0	0	110.8	E736 T737 F750 K753	Y726-E736 CarbonylContact C-O 3.55Å; Y726-E736 VanDerWaalsContact CA-O 3.27Å; Y726-E736 WeakPolarHBondContact CA-O 3.36Å; Y726-T737 HydrophobicContact CD1-CG2 4.01Å; Y726-T737 HydrophobicContact CE1-CG2 3.57Å; Y726-T737 HydrophobicContact CE2-CG2 4.45Å; Y726-F750 PolarHBondContact N-O 3.17Å; Y726-F750 WeakPolarHBondContact O-CD2 3.24Å; Y726-F750 PolarHBondContact O-N 3.39Å; Y726-K753 HydrophobicContact CD1-CB 3.79Å; Y726-K753 HydrophobicContact CD1-CG 3.89Å; Y726-K753 HydrophobicContact CD2-CB 4.48Å; Y726-K753 HydrophobicContact CE1-CB 3.48Å; Y726-K753 VanDerWaalsContact CE1-CB 3.48Å; Y726-K753 HydrophobicContact CE1-CD 4.27Å; Y726-K753 HydrophobicContact CE1-CG 3.72Å; Y726-K753 HydrophobicContact CE2-CB 4.21Å; Y726-K753 VanDerWaalsContact CE2-N 3.32Å; Y726-K753 HydrophobicContact CG-CB 4.27Å
727	Y	95.3	Very high	89.4	Confident	36 Å²	36	79.5 Å²	79.5	14%	0.141	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.8	169.5	82.5	-69.7	0	0	0	108.8	A714 N729 C735 E736 F738 N748 C756	A714-Y727 HydrophobicContact CB-CD1 3.84Å; A714-Y727 HydrophobicContact CB-CD2 3.49Å; A714-Y727 VanDerWaalsContact CB-CD2 3.49Å; A714-Y727 HydrophobicContact CB-CE1 4.1Å; A714-Y727 HydrophobicContact CB-CE2 3.75Å; A714-Y727 HydrophobicContact CB-CG 3.53Å; Y727-N729 HydrophobicContact CE2-CB 3.77Å; Y727-N729 PolarHBondContact OH-ND2 3.36Å; Y727-N729 VanDerWaalsContact OH-ND2 3.13Å; Y727-C735 WeakPolarHBondContact O-CA 3.19Å; Y727-E736 HydrophobicContact CD1-CB 4.19Å; Y727-E736 WeakPolarHBondContact CD1-O 3.37Å; Y727-E736 HydrophobicContact CE1-CB 3.55Å; Y727-E736 PolarHBondContact N-O 3.22Å; Y727-E736 PolarHBondContact O-N 2.89Å; Y727-E736 PolarHBondContact OH-OE2 2.9Å; Y727-F738 HydrophobicContact CD1-CB 3.96Å; Y727-F738 AromaticContact CD1-CD1 3.88Å; Y727-F738 HydrophobicContact CD1-CD1 3.88Å; Y727-F738 HydrophobicContact CD1-CG 4.18Å; Y727-F738 HydrophobicContact CE1-CB 4.26Å; Y727-F738 HydrophobicContact CG-CD1 4.2Å; Y727-N748 VanDerWaalsContact CA-OD1 3.3Å; Y727-N748 WeakPolarHBondContact CA-OD1 3.48Å; Y727-N748 VanDerWaalsContact CB-O 3.24Å; Y727-N748 WeakPolarHBondContact CB-O 3.43Å; Y727-N748 WeakPolarHBondContact CB-OD1 3.1Å; Y727-C756 VanDerWaalsContact C-SG 3.58Å
728	Y	94	Very high	89.8	Confident	26 Å²	26	79.3 Å²	79.3	10%	0.102	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.3	172.1	-176.6	-99.6	0	0	0	109.7	C710 N748 C760	C710-Y728 HydrophobicContact CB-CD1 3.97Å; C710-Y728 HydrophobicContact CB-CG 4.36Å; C710-Y728 VanDerWaalsContact O-CD1 3.28Å; C710-Y728 WeakPolarHBondContact O-CD1 3.5Å; Y728-N748 PolarHBondContact N-OD1 2.96Å; Y728-N748 PolarHBondContact O-ND2 2.85Å; Y728-C760 VanDerWaalsContact CB-CB 3.42Å; Y728-C760 HydrophobicContact CD1-CB 4.15Å; Y728-C760 HydrophobicContact CD2-CB 3.43Å; Y728-C760 VanDerWaalsContact CD2-CB 3.43Å; Y728-C760 HydrophobicContact CE2-CB 4.19Å; Y728-C760 VanDerWaalsContact CE2-O 3.24Å; Y728-C760 WeakPolarHBondContact CE2-O 3.25Å; Y728-C760 HydrophobicContact CG-CB 3.4Å
729	N	92	Very high	90.3	Very high	20 Å²	20	78.6 Å²	78.6	11%	0.107	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.5	175.1	-177.4	-21.6	0	0	0	109.4	Y727 D731 T732 K733 Q734 E736	Y727-N729 HydrophobicContact CE2-CB 3.77Å; Y727-N729 PolarHBondContact OH-ND2 3.36Å; Y727-N729 VanDerWaalsContact OH-ND2 3.13Å; N729-D731 PolarHBondContact O-N 3.46Å; N729-D731 WeakPolarHBondContact OD1-CB 3.47Å; N729-D731 PolarHBondContact OD1-N 3.31Å; N729-T732 VanDerWaalsContact CB-OG1 3.3Å; N729-T732 WeakPolarHBondContact CB-OG1 3.44Å; N729-T732 VanDerWaalsContact CG-OG1 3.32Å; N729-T732 PolarHBondContact OD1-N 2.76Å; N729-K733 VanDerWaalsContact O-CA 3.27Å; N729-K733 WeakPolarHBondContact O-CA 3.46Å; N729-K733 PolarHBondContact O-N 2.76Å; N729-Q734 PolarHBondContact N-O 2.03Å; N729-Q734 PolarHBondContact O-N 3.13Å; N729-E736 HydrophobicContact CB-CG 4.25Å; N729-E736 PolarHBondContact ND2-OE1 2.75Å; N729-E736 VanDerWaalsContact ND2-OE1 3.12Å; N729-E736 PolarHBondContact ND2-OE2 3.26Å
730	K	86.1	Confident	90.6	Very high	137 Å²	137	78.3 Å²	78.3	60%	0.596	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.1	179.8	70.7	-178.3	-177	-177	0	113.8
731	D	84.1	Confident	90.8	Very high	134 Å²	134	66.3 Å²	66.3	72%	0.717	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-40.7	-176	-59.5	-41.2	0	0	0	111	N729	N729-D731 PolarHBondContact O-N 3.46Å; N729-D731 WeakPolarHBondContact OD1-CB 3.47Å; N729-D731 PolarHBondContact OD1-N 3.31Å
732	T	89	Confident	91.1	Very high	58 Å²	58	66 Å²	66	36%	0.356	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.7	178.6	66	0	0	0	0	113.4	N729 Q734 E736	N729-T732 VanDerWaalsContact CB-OG1 3.3Å; N729-T732 WeakPolarHBondContact CB-OG1 3.44Å; N729-T732 VanDerWaalsContact CG-OG1 3.32Å; N729-T732 PolarHBondContact OD1-N 2.76Å; T732-Q734 PolarHBondContact O-N 2.92Å; T732-Q734 PolarHBondContact OG1-N 3.38Å; T732-E736 VanDerWaalsContact CB-OE1 3.29Å; T732-E736 WeakPolarHBondContact CB-OE1 3.34Å; T732-E736 WeakPolarHBondContact CG2-OE1 3.29Å; T732-E736 PolarHBondContact OG1-OE1 3.37Å
733	K	83.5	Confident	90.9	Very high	142 Å²	142	63.6 Å²	63.6	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	33.9	-171.5	-57.8	-167.3	175.7	-168.8	0	113	N729	N729-K733 VanDerWaalsContact O-CA 3.27Å; N729-K733 WeakPolarHBondContact O-CA 3.46Å; N729-K733 PolarHBondContact O-N 2.76Å
734	Q	87.6	Confident	90.8	Very high	122 Å²	122	65.1 Å²	65.1	57%	0.57	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	151.1	-177.5	-69.6	178	39.4	0	0	110.9	N729 T732 E736	N729-Q734 PolarHBondContact N-O 2.03Å; N729-Q734 PolarHBondContact O-N 3.13Å; T732-Q734 PolarHBondContact O-N 2.92Å; T732-Q734 PolarHBondContact OG1-N 3.38Å; Q734-E736 PolarHBondContact O-N 3.45Å
735	C	93	Very high	90.5	Very high	10 Å²	10	61.7 Å²	61.7	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	110.4	168.2	-72.6	0	0	0	0	109.6	Y727 K753 C756 E757	Y727-C735 WeakPolarHBondContact O-CA 3.19Å; C735-K753 HydrophobicContact CB-CG 4.05Å; C735-C756 HydrophobicContact CB-CB 3.7Å; C735-C756 WeakPolarHBondContact CB-SG 3.35Å; C735-C756 WeakPolarHBondContact SG-CB 3.39Å; C735-C756 CovalentContact SG-SG 2.03Å; C735-C756 PolarHBondContact SG-SG 3.34Å; C735-E757 HydrophobicContact CB-CG 4.14Å; C735-E757 PolarHBondContact SG-N 3.16Å
736	E	95.8	Very high	90.2	Very high	60 Å²	60	60.7 Å²	60.7	28%	0.28	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	161.8	-177.5	-70.6	174.9	-169.2	0	0	110.5	Y726 Y727 N729 T732 Q734	Y726-E736 CarbonylContact C-O 3.55Å; Y726-E736 VanDerWaalsContact CA-O 3.27Å; Y726-E736 WeakPolarHBondContact CA-O 3.36Å; Y727-E736 HydrophobicContact CD1-CB 4.19Å; Y727-E736 WeakPolarHBondContact CD1-O 3.37Å; Y727-E736 HydrophobicContact CE1-CB 3.55Å; Y727-E736 PolarHBondContact N-O 3.22Å; Y727-E736 PolarHBondContact O-N 2.89Å; Y727-E736 PolarHBondContact OH-OE2 2.9Å; N729-E736 HydrophobicContact CB-CG 4.25Å; N729-E736 PolarHBondContact ND2-OE1 2.75Å; N729-E736 VanDerWaalsContact ND2-OE1 3.12Å; N729-E736 PolarHBondContact ND2-OE2 3.26Å; T732-E736 VanDerWaalsContact CB-OE1 3.29Å; T732-E736 WeakPolarHBondContact CB-OE1 3.34Å; T732-E736 WeakPolarHBondContact CG2-OE1 3.29Å; T732-E736 PolarHBondContact OG1-OE1 3.37Å; Q734-E736 PolarHBondContact O-N 3.45Å
737	T	95.6	Very high	90	Very high	82 Å²	82	59.6 Å²	59.6	50%	0.503	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	146.1	176.5	53.5	0	0	0	0	111.5	T724 K725 Y726	T724-T737 HydrophobicContact CG2-CG2 4.17Å; K725-T737 CarbonylContact O-C 3.41Å; K725-T737 VanDerWaalsContact O-CA 3.25Å; K725-T737 WeakPolarHBondContact O-CA 3.3Å; Y726-T737 HydrophobicContact CD1-CG2 4.01Å; Y726-T737 HydrophobicContact CE1-CG2 3.57Å; Y726-T737 HydrophobicContact CE2-CG2 4.45Å
738	F	95.6	Very high	89.9	Confident	23 Å²	23	57.9 Å²	57.9	10%	0.101	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	166	168.9	82.1	-69.3	0	0	0	110.7	A714 K715 K725 Y727 N749	A714-F738 HydrophobicContact CB-CB 4.01Å; A714-F738 HydrophobicContact CB-CD1 4.36Å; A714-F738 HydrophobicContact CB-CD2 3.79Å; A714-F738 HydrophobicContact CB-CE2 4.35Å; A714-F738 HydrophobicContact CB-CG 3.8Å; K715-F738 WeakPolarHBondContact O-CE2 3.27Å; K725-F738 HydrophobicContact CB-CD1 3.98Å; K725-F738 HydrophobicContact CB-CE1 3.45Å; K725-F738 VanDerWaalsContact CB-CE1 3.45Å; K725-F738 HydrophobicContact CB-CZ 4.01Å; K725-F738 PolarHBondContact N-O 2.75Å; K725-F738 PolarHBondContact O-N 3.39Å; Y727-F738 HydrophobicContact CD1-CB 3.96Å; Y727-F738 AromaticContact CD1-CD1 3.88Å; Y727-F738 HydrophobicContact CD1-CD1 3.88Å; Y727-F738 HydrophobicContact CD1-CG 4.18Å; Y727-F738 HydrophobicContact CE1-CB 4.26Å; Y727-F738 HydrophobicContact CG-CD1 4.2Å; F738-N749 HydrophobicContact CE1-CB 4.43Å; F738-N749 HydrophobicContact CZ-CB 4.04Å
739	I	94.7	Very high	89.9	Confident	76 Å²	76	58.3 Å²	58.3	39%	0.39	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.5	175.9	-57.4	-58.7	0	0	0	109.7	K716 A722	K716-I739 WeakPolarHBondContact CB-O 3.24Å; K716-I739 WeakPolarHBondContact CG-O 3.29Å; A722-I739 HydrophobicContact CB-CG2 4.16Å
740	Y	93.4	Very high	90	Very high	43 Å²	43	57.4 Å²	57.4	17%	0.169	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.8	171.9	177.9	-125.1	0	0	0	110.8	F723 K725 G742 C743 N749	F723-Y740 HydrophobicContact CB-CD1 4.45Å; F723-Y740 HydrophobicContact CD2-CD1 4.18Å; F723-Y740 PolarHBondContact N-O 2.72Å; F723-Y740 PolarHBondContact O-N 3.43Å; K725-Y740 HydrophobicContact CG-CD1 4.49Å; K725-Y740 HydrophobicContact CG-CG 4.48Å; Y740-G742 VanDerWaalsContact C-N 3.25Å; Y740-G742 PolarHBondContact O-N 2.87Å; Y740-C743 WeakPolarHBondContact OH-CA 3.37Å; Y740-C743 PolarHBondContact OH-N 3.02Å; Y740-N749 WeakPolarHBondContact CD2-ND2 3.37Å
741	G	89.2	Confident	90.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.			trans	-69.6	-16.1	-176.4	0	0	0	0	0	114.7	K716 C719 A721	K716-G741 VanDerWaalsContact O-CA 3.24Å; K716-G741 WeakPolarHBondContact O-CA 3.49Å; K716-G741 PolarHBondContact O-N 3.28Å; C719-G741 CarbonylContact C-O 3.44Å; C719-G741 WeakPolarHBondContact CB-O 3.4Å; C719-G741 VanDerWaalsContact O-CA 3.26Å; C719-G741 WeakPolarHBondContact O-CA 3.38Å; A721-G741 WeakPolarHBondContact CA-O 2.97Å; A721-G741 WeakPolarHBondContact CB-O 3.22Å; A721-G741 PolarHBondContact N-O 2.02Å; A721-G741 CarbonylContact O-C 3.47Å; A721-G741 VanDerWaalsContact O-CA 3.23Å; A721-G741 WeakPolarHBondContact O-CA 3Å
742	G	83.5	Confident	90.5	Very high	35 Å²	35	53.2 Å²	53.2	36%	0.361	29%	0.286	S	S	.	.	S	Bend	trans	99.7	-2.3	-179	0	0	0	0	0	115.6	Y740	Y740-G742 VanDerWaalsContact C-N 3.25Å; Y740-G742 PolarHBondContact O-N 2.87Å
743	C	84.8	Confident	90.5	Very high	33 Å²	33	55 Å²	55	22%	0.223	29%	0.289	C	S	.	.	S	Bend	trans	-157.2	165.4	172.4	70.9	0	0	0	0	111.6	G717 C719 Y740 G745	G717-C743 WeakPolarHBondContact CA-O 3.03Å; C719-C743 HydrophobicContact CB-CB 3.89Å; C719-C743 WeakPolarHBondContact CB-SG 3.27Å; C719-C743 PolarHBondContact N-SG 2.74Å; C719-C743 VanDerWaalsContact N-SG 3.39Å; C719-C743 WeakPolarHBondContact SG-CB 3.18Å; C719-C743 CovalentContact SG-SG 2.01Å; C719-C743 PolarHBondContact SG-SG 3.13Å; Y740-C743 WeakPolarHBondContact OH-CA 3.37Å; Y740-C743 PolarHBondContact OH-N 3.02Å; C743-G745 VanDerWaalsContact C-N 3.26Å; C743-G745 PolarHBondContact O-N 3.14Å; C743-G745 VanDerWaalsContact O-N 3.16Å
744	K	84.8	Confident	90.5	Very high	137 Å²	137	51.3 Å²	51.3	60%	0.596	29%	0.285	S	S	*	.	S	Bend	trans	40.5	48.3	-178.9	-48.4	-164.4	175.7	-167.1	0	114.2	K715 G717 P718	K715-K744 WeakPolarHBondContact CD-O 3.23Å; K715-K744 WeakPolarHBondContact CE-O 2.93Å; G717-K744 WeakPolarHBondContact CA-O 3.3Å; P718-K744 HydrophobicContact CG-CB 4.22Å; P718-K744 HydrophobicContact CG-CD 3.96Å; P718-K744 HydrophobicContact CG-CG 4.06Å
745	G	86.2	Confident	90.6	Very high	20 Å²	20	48.2 Å²	48.2	21%	0.206	27%	0.271	C	S	.	.			trans	-82.5	-169.4	166.4	0	0	0	0	0	110.3	C743	C743-G745 VanDerWaalsContact C-N 3.26Å; C743-G745 PolarHBondContact O-N 3.14Å; C743-G745 VanDerWaalsContact O-N 3.16Å
746	N	89.9	Confident	90.5	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.08	27%	0.267	C	S	.	.			trans	-124.9	178.2	170.1	64.5	18.9	0	0	0	110.2	L712 P713 K715 N748 N749	L712-N746 HydrophobicContact CD1-CB 4.18Å; P713-N746 PolarHBondContact O-ND2 2.73Å; P713-N746 PolarHBondContact O-OD1 3.35Å; K715-N746 HydrophobicContact CB-CB 4.3Å; K715-N746 HydrophobicContact CD-CB 4.15Å; N746-N748 PolarHBondContact O-N 3.18Å; N746-N748 VanDerWaalsContact O-N 3.16Å; N746-N748 PolarHBondContact OD1-N 3.4Å; N746-N749 WeakPolarHBondContact O-CB 3.29Å
747	A	91.8	Very high	90.1	Very high	43 Å²	43	48.4 Å²	48.4	36%	0.355	27%	0.271	S	S	.	.	S	Bend	trans	-65.2	-12.9	-175.7	0	0	0	0	0	115.6	P709 L712 N749	P709-A747 HydrophobicContact CB-CB 3.9Å; P709-A747 HydrophobicContact CG-CB 4.05Å; L712-A747 HydrophobicContact CD1-CB 3.84Å; A747-N749 PolarHBondContact O-N 2.98Å
748	N	93.4	Very high	89.4	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.			trans	-81.9	60	173.8	-159.2	-3	0	0	0	111.4	P709 L712 Y727 Y728 N746 F750	P709-N748 WeakPolarHBondContact O-CB 3.27Å; P709-N748 VanDerWaalsContact O-CG 3.31Å; L712-N748 HydrophobicContact CB-CB 4.01Å; L712-N748 PolarHBondContact O-ND2 3.19Å; Y727-N748 VanDerWaalsContact CA-OD1 3.3Å; Y727-N748 WeakPolarHBondContact CA-OD1 3.48Å; Y727-N748 VanDerWaalsContact CB-O 3.24Å; Y727-N748 WeakPolarHBondContact CB-O 3.43Å; Y727-N748 WeakPolarHBondContact CB-OD1 3.1Å; Y728-N748 PolarHBondContact N-OD1 2.96Å; Y728-N748 PolarHBondContact O-ND2 2.85Å; N746-N748 PolarHBondContact O-N 3.18Å; N746-N748 VanDerWaalsContact O-N 3.16Å; N746-N748 PolarHBondContact OD1-N 3.4Å; N748-F750 WeakPolarHBondContact OD1-CE2 3.46Å
749	N	94.4	Very high	88.9	Confident	34 Å²	34	55.5 Å²	55.5	18%	0.182	30%	0.302	C	S	.	.			trans	-148.5	100.2	-171.3	-175.9	-12.8	0	0	0	109.7	K725 F738 Y740 N746 A747	K725-N749 WeakPolarHBondContact CB-OD1 2.93Å; K725-N749 VanDerWaalsContact CD-OD1 3.31Å; K725-N749 WeakPolarHBondContact CD-OD1 3.03Å; K725-N749 WeakPolarHBondContact CG-OD1 3.19Å; F738-N749 HydrophobicContact CE1-CB 4.43Å; F738-N749 HydrophobicContact CZ-CB 4.04Å; Y740-N749 WeakPolarHBondContact CD2-ND2 3.37Å; N746-N749 WeakPolarHBondContact O-CB 3.29Å; A747-N749 PolarHBondContact O-N 2.98Å
750	F	94.4	Very high	88.3	Confident	1 Å²	1	52 Å²	52	0%	0.004	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-115	144.8	-173.2	-50.9	-72.3	0	0	0	111.1	P709 Y726 N748 E755 C756 R759 C760	P709-F750 HydrophobicContact CB-CZ 4.46Å; Y726-F750 PolarHBondContact N-O 3.17Å; Y726-F750 WeakPolarHBondContact O-CD2 3.24Å; Y726-F750 PolarHBondContact O-N 3.39Å; N748-F750 WeakPolarHBondContact OD1-CE2 3.46Å; F750-E755 HydrophobicContact CB-CB 4.26Å; F750-E755 HydrophobicContact CB-CG 4.22Å; F750-E755 HydrophobicContact CD1-CG 3.97Å; F750-E755 HydrophobicContact CG-CG 4.48Å; F750-C756 HydrophobicContact CB-CB 3.85Å; F750-C756 HydrophobicContact CD2-CB 3.3Å; F750-C756 VanDerWaalsContact CD2-SG 3.56Å; F750-C756 HydrophobicContact CE2-CB 3.99Å; F750-C756 HydrophobicContact CG-CB 3.68Å; F750-R759 HydrophobicContact CE1-CB 3.97Å; F750-R759 HydrophobicContact CE1-CG 4.33Å; F750-R759 HydrophobicContact CZ-CB 4.27Å; F750-C760 WeakPolarHBondContact CZ-SG 3.3Å
751	E	90.1	Very high	86.9	Confident	118 Å²	118	52.8 Å²	52.8	55%	0.551	30%	0.296	S	S	*	.	S	Bend	trans	-70	-36.6	180	-173.4	65.3	-144.8	0	0	111.2	K725 E755	K725-E751 IonicContact NZ-OE2 3.9Å; K725-E751 PolarHBondContact NZ-OE2 2.94Å; E751-E755 PolarHBondContact N-OE2 3.16Å
752	T	89.7	Confident	85	Confident	65 Å²	65	58.2 Å²	58.2	40%	0.399	33%	0.329	S	S	.	.	S	Bend	trans	-131.7	153.8	-174	68.5	0	0	0	0	111.6	A754 E755 C756	T752-A754 PolarHBondContact O-N 3.31Å; T752-E755 PolarHBondContact O-N 2.03Å; T752-E755 VanDerWaalsContact O-N 3.17Å; T752-E755 WeakPolarHBondContact OG1-CB 3.15Å; T752-E755 PolarHBondContact OG1-N 2.75Å; T752-C756 PolarHBondContact O-N 3.5Å; T752-C756 VanDerWaalsContact O-N 3.11Å
753	K	90.1	Very high	83.1	Confident	96 Å²	96	64.1 Å²	64.1	42%	0.417	35%	0.347	S	S	.	.	H	α-helix	trans	-55.7	-40.4	172.4	-160.4	-174.1	-176	-153.2	0	111.6	Y726 C735 E755 C756 E757	Y726-K753 HydrophobicContact CD1-CB 3.79Å; Y726-K753 HydrophobicContact CD1-CG 3.89Å; Y726-K753 HydrophobicContact CD2-CB 4.48Å; Y726-K753 HydrophobicContact CE1-CB 3.48Å; Y726-K753 VanDerWaalsContact CE1-CB 3.48Å; Y726-K753 HydrophobicContact CE1-CD 4.27Å; Y726-K753 HydrophobicContact CE1-CG 3.72Å; Y726-K753 HydrophobicContact CE2-CB 4.21Å; Y726-K753 VanDerWaalsContact CE2-N 3.32Å; Y726-K753 HydrophobicContact CG-CB 4.27Å; C735-K753 HydrophobicContact CB-CG 4.05Å; K753-E755 PolarHBondContact O-N 2.73Å; K753-C756 PolarHBondContact O-N 3.45Å; K753-E757 WeakPolarHBondContact CD-OE1 3.36Å; K753-E757 WeakPolarHBondContact CE-OE1 2.99Å; K753-E757 HydrophobicContact CG-CG 4.31Å; K753-E757 IonicContact NZ-OE1 2.66Å; K753-E757 PolarHBondContact NZ-OE1 2.94Å; K753-E757 VanDerWaalsContact NZ-OE1 3.11Å; K753-E757 WeakPolarHBondContact O-CB 3.24Å; K753-E757 VanDerWaalsContact O-CG 3.27Å; K753-E757 WeakPolarHBondContact O-CG 3.37Å; K753-E757 PolarHBondContact O-N 3.23Å
754	A	82.4	Confident	81.1	Confident	65 Å²	65	72.2 Å²	72.2	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-64.8	-37.2	179.5	0	0	0	0	0	112.6	T752 S758	T752-A754 PolarHBondContact O-N 3.31Å; A754-S758 VanDerWaalsContact O-CB 3.24Å; A754-S758 WeakPolarHBondContact O-CB 2.96Å; A754-S758 PolarHBondContact O-N 2.91Å; A754-S758 PolarHBondContact O-OG 2.91Å
755	E	88.7	Confident	79.1	Confident	56 Å²	56	71.4 Å²	71.4	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-48.2	174.4	-176.9	-176.3	-170.6	0	0	110.9	F750 E751 T752 K753 E757 S758 R759	F750-E755 HydrophobicContact CB-CB 4.26Å; F750-E755 HydrophobicContact CB-CG 4.22Å; F750-E755 HydrophobicContact CD1-CG 3.97Å; F750-E755 HydrophobicContact CG-CG 4.48Å; E751-E755 PolarHBondContact N-OE2 3.16Å; T752-E755 PolarHBondContact O-N 2.03Å; T752-E755 VanDerWaalsContact O-N 3.17Å; T752-E755 WeakPolarHBondContact OG1-CB 3.15Å; T752-E755 PolarHBondContact OG1-N 2.75Å; K753-E755 PolarHBondContact O-N 2.73Å; E755-E757 PolarHBondContact O-N 2.88Å; E755-S758 PolarHBondContact O-N 3.26Å; E755-S758 PolarHBondContact O-OG 2.01Å; E755-R759 WeakPolarHBondContact O-CB 3.28Å; E755-R759 WeakPolarHBondContact O-CG 3.4Å; E755-R759 PolarHBondContact O-N 3.39Å; E755-R759 IonicContact OE1-CZ 2.76Å; E755-R759 IonicContact OE1-NE 2.59Å; E755-R759 IonicContact OE1-NH2 3.91Å
756	C	92.2	Very high	77.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-57.7	-47.9	174.8	177.3	0	0	0	0	111.6	Y727 C735 F750 T752 K753 S758 R759 C760	Y727-C756 VanDerWaalsContact C-SG 3.58Å; C735-C756 HydrophobicContact CB-CB 3.7Å; C735-C756 WeakPolarHBondContact CB-SG 3.35Å; C735-C756 WeakPolarHBondContact SG-CB 3.39Å; C735-C756 CovalentContact SG-SG 2.03Å; C735-C756 PolarHBondContact SG-SG 3.34Å; F750-C756 HydrophobicContact CB-CB 3.85Å; F750-C756 HydrophobicContact CD2-CB 3.3Å; F750-C756 VanDerWaalsContact CD2-SG 3.56Å; F750-C756 HydrophobicContact CE2-CB 3.99Å; F750-C756 HydrophobicContact CG-CB 3.68Å; T752-C756 PolarHBondContact O-N 3.5Å; T752-C756 VanDerWaalsContact O-N 3.11Å; K753-C756 PolarHBondContact O-N 3.45Å; C756-S758 VanDerWaalsContact C-N 3.35Å; C756-S758 PolarHBondContact O-N 3.39Å; C756-R759 PolarHBondContact O-N 3.32Å; C756-C760 WeakPolarHBondContact O-CA 3.33Å; C756-C760 WeakPolarHBondContact O-CB 3.5Å; C756-C760 PolarHBondContact O-N 2.96Å
757	E	87.5	Confident	76.2	Confident	75 Å²	75	76.6 Å²	76.6	35%	0.35	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-41.4	179.3	-73.1	171.7	171.6	0	0	110.6	C735 K753 E755 R759 S761	C735-E757 HydrophobicContact CB-CG 4.14Å; C735-E757 PolarHBondContact SG-N 3.16Å; K753-E757 WeakPolarHBondContact CD-OE1 3.36Å; K753-E757 WeakPolarHBondContact CE-OE1 2.99Å; K753-E757 HydrophobicContact CG-CG 4.31Å; K753-E757 IonicContact NZ-OE1 2.66Å; K753-E757 PolarHBondContact NZ-OE1 2.94Å; K753-E757 VanDerWaalsContact NZ-OE1 3.11Å; K753-E757 WeakPolarHBondContact O-CB 3.24Å; K753-E757 VanDerWaalsContact O-CG 3.27Å; K753-E757 WeakPolarHBondContact O-CG 3.37Å; K753-E757 PolarHBondContact O-N 3.23Å; E755-E757 PolarHBondContact O-N 2.88Å; E757-R759 VanDerWaalsContact C-N 3.29Å; E757-R759 PolarHBondContact O-N 2.88Å; E757-S761 WeakPolarHBondContact CA-OG 3.48Å; E757-S761 WeakPolarHBondContact CB-OG 3.23Å; E757-S761 WeakPolarHBondContact O-CA 3.32Å; E757-S761 WeakPolarHBondContact O-CB 2.87Å; E757-S761 PolarHBondContact O-N 3Å; E757-S761 PolarHBondContact O-OG 2.76Å
758	S	81.4	Confident	75.8	Confident	95 Å²	95	75.2 Å²	75.2	66%	0.664	40%	0.402	S	S	*	.	H	α-helix	trans	-64.6	-32.3	177.3	77.9	0	0	0	0	113.7	A754 E755 C756	A754-S758 VanDerWaalsContact O-CB 3.24Å; A754-S758 WeakPolarHBondContact O-CB 2.96Å; A754-S758 PolarHBondContact O-N 2.91Å; A754-S758 PolarHBondContact O-OG 2.91Å; E755-S758 PolarHBondContact O-N 3.26Å; E755-S758 PolarHBondContact O-OG 2.01Å; C756-S758 VanDerWaalsContact C-N 3.35Å; C756-S758 PolarHBondContact O-N 3.39Å
759	R	84.2	Confident	75.5	Confident	159 Å²	159	75.4 Å²	75.4	60%	0.6	40%	0.403	S	S	*	.	H	α-helix	trans	-92.7	-30.4	-176.3	-73.6	-169.9	178.7	-168.5	12	113.3	C710 F750 E755 C756 E757	C710-R759 PolarHBondContact SG-O 3.33Å; C710-R759 VanDerWaalsContact SG-O 3.35Å; F750-R759 HydrophobicContact CE1-CB 3.97Å; F750-R759 HydrophobicContact CE1-CG 4.33Å; F750-R759 HydrophobicContact CZ-CB 4.27Å; E755-R759 WeakPolarHBondContact O-CB 3.28Å; E755-R759 WeakPolarHBondContact O-CG 3.4Å; E755-R759 PolarHBondContact O-N 3.39Å; E755-R759 IonicContact OE1-CZ 2.76Å; E755-R759 IonicContact OE1-NE 2.59Å; E755-R759 IonicContact OE1-NH2 3.91Å; C756-R759 PolarHBondContact O-N 3.32Å; E757-R759 VanDerWaalsContact C-N 3.29Å; E757-R759 PolarHBondContact O-N 2.88Å
760	C	82.6	Confident	75.1	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.014	42%	0.416	C	S	.	.	H	α-helix	trans	-126.3	-13.5	-169.5	-65.2	0	0	0	0	115.6	C710 Y728 F750 C756 V762	C710-C760 VanDerWaalsContact CA-SG 3.5Å; C710-C760 HydrophobicContact CB-CB 3.58Å; C710-C760 WeakPolarHBondContact CB-SG 3.43Å; C710-C760 WeakPolarHBondContact SG-CA 3.34Å; C710-C760 WeakPolarHBondContact SG-CB 3.22Å; C710-C760 CovalentContact SG-SG 2.03Å; C710-C760 PolarHBondContact SG-SG 3.32Å; Y728-C760 VanDerWaalsContact CB-CB 3.42Å; Y728-C760 HydrophobicContact CD1-CB 4.15Å; Y728-C760 HydrophobicContact CD2-CB 3.43Å; Y728-C760 VanDerWaalsContact CD2-CB 3.43Å; Y728-C760 HydrophobicContact CE2-CB 4.19Å; Y728-C760 VanDerWaalsContact CE2-O 3.24Å; Y728-C760 WeakPolarHBondContact CE2-O 3.25Å; Y728-C760 HydrophobicContact CG-CB 3.4Å; F750-C760 WeakPolarHBondContact CZ-SG 3.3Å; C756-C760 WeakPolarHBondContact O-CA 3.33Å; C756-C760 WeakPolarHBondContact O-CB 3.5Å; C756-C760 PolarHBondContact O-N 2.96Å; C760-V762 PolarHBondContact O-N 3.06Å
761	S	63	Low	74.8	Confident	59 Å²	59	78.8 Å²	78.8	41%	0.413	43%	0.426	S	S	.	.			trans	-73.2	85.4	167.7	-56.8	0	0	0	0	109.7	E757 E763	E757-S761 WeakPolarHBondContact CA-OG 3.48Å; E757-S761 WeakPolarHBondContact CB-OG 3.23Å; E757-S761 WeakPolarHBondContact O-CA 3.32Å; E757-S761 WeakPolarHBondContact O-CB 2.87Å; E757-S761 PolarHBondContact O-N 3Å; E757-S761 PolarHBondContact O-OG 2.76Å; S761-E763 PolarHBondContact O-N 2.83Å
762	V	49.5	Very low	74.9	Confident	115 Å²	115	77.8 Å²	77.8	70%	0.697	43%	0.429	S	S	*	.			trans	-56.3	130.2	144	-166	0	0	0	0	105.5	C760	C760-V762 PolarHBondContact O-N 3.06Å
763	E	43.7	Very low	75	Confident	158 Å²	158	80.8 Å²	80.8	74%	0.738	44%	0.437	S	S	*	.			trans	114.2	62.9	170.4	-50.6	-105.6	163.9	0	0	115.9	S761	S761-E763 PolarHBondContact O-N 2.83Å
764	K	42.7	Very low	75.2	Confident	203 Å²	203	79.1 Å²	79.1	88%	0.883	43%	0.432	S	S	*	.	S	Bend	trans	-150	68.9	131.4	-82.1	-156.4	179.2	168.2	0	111.4
765	D	42.5	Very low	75.8	Confident	120 Å²	120	78.5 Å²	78.5	64%	0.642	42%	0.424	S	S	*	.	S	Bend	trans	-169.3	81.7	141.3	-104.3	-21.2	0	0	0	105.1	D767	D765-D767 PolarHBondContact O-N 2.97Å; D765-D767 VanDerWaalsContact O-N 3.14Å
766	G	48.4	Very low	75.9	Confident	46 Å²	46	77 Å²	77	47%	0.474	42%	0.423	S	S	.	.			trans	-48	127.4	173.4	0	0	0	0	0	107.9	V768 M771	G766-V768 PolarHBondContact O-N 2.93Å; G766-M771 WeakPolarHBondContact O-CE 3.46Å
767	D	68.4	Low	75.7	Confident	98 Å²	98	81 Å²	81	52%	0.524	45%	0.449	S	S	.	.			trans	-21.2	108.5	-169.5	167.5	20	0	0	0	110	D765 C769 S770 M771	D765-D767 PolarHBondContact O-N 2.97Å; D765-D767 VanDerWaalsContact O-N 3.14Å; D767-C769 CarbonylContact O-C 3.53Å; D767-C769 PolarHBondContact O-N 3.33Å; D767-C769 WeakPolarHBondContact OD1-CB 3.3Å; D767-C769 PolarHBondContact OD1-N 2.82Å; D767-C769 VanDerWaalsContact OD1-N 3.08Å; D767-S770 WeakPolarHBondContact O-CA 3.49Å; D767-S770 VanDerWaalsContact O-CB 3.32Å; D767-S770 WeakPolarHBondContact O-CB 3.48Å; D767-S770 PolarHBondContact O-N 3.45Å; D767-S770 PolarHBondContact O-OG 2.97Å; D767-M771 PolarHBondContact O-N 3.41Å
768	V	82.9	Confident	76	Confident	14 Å²	14	80.1 Å²	80.1	9%	0.085	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-31.3	-175.2	166.3	0	0	0	0	110.9	G766 G806 N807 F809	G766-V768 PolarHBondContact O-N 2.93Å; V768-G806 VanDerWaalsContact CG1-C 3.41Å; V768-G806 WeakPolarHBondContact CG1-O 3.35Å; V768-N807 WeakPolarHBondContact O-CB 3.26Å; V768-F809 HydrophobicContact CG1-CE1 4.39Å; V768-F809 HydrophobicContact CG1-CZ 3.93Å
769	C	87	Confident	76.4	Confident	4 Å²	4	85.5 Å²	85.5	3%	0.027	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-23	179.3	-49.2	0	0	0	0	113.2	D767 F787 C819	D767-C769 CarbonylContact O-C 3.53Å; D767-C769 PolarHBondContact O-N 3.33Å; D767-C769 WeakPolarHBondContact OD1-CB 3.3Å; D767-C769 PolarHBondContact OD1-N 2.82Å; D767-C769 VanDerWaalsContact OD1-N 3.08Å; C769-F787 HydrophobicContact CB-CB 4.31Å; C769-F787 HydrophobicContact CB-CD1 3.67Å; C769-F787 HydrophobicContact CB-CE1 4.14Å; C769-F787 HydrophobicContact CB-CG 4.16Å; C769-F787 VanDerWaalsContact O-CD1 3.24Å; C769-F787 WeakPolarHBondContact O-CD1 3.32Å; C769-C819 HydrophobicContact CB-CB 3.56Å; C769-C819 WeakPolarHBondContact CB-SG 3.42Å; C769-C819 WeakPolarHBondContact SG-CA 3.31Å; C769-C819 WeakPolarHBondContact SG-CB 3.47Å; C769-C819 CovalentContact SG-SG 2.02Å; C769-C819 PolarHBondContact SG-SG 2.83Å
770	S	86.3	Confident	76.1	Confident	66 Å²	66	80.2 Å²	80.2	46%	0.462	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-19	174	74.1	0	0	0	0	114.5	D767	D767-S770 WeakPolarHBondContact O-CA 3.49Å; D767-S770 VanDerWaalsContact O-CB 3.32Å; D767-S770 WeakPolarHBondContact O-CB 3.48Å; D767-S770 PolarHBondContact O-N 3.45Å; D767-S770 PolarHBondContact O-OG 2.97Å
771	M	88.1	Confident	76.5	Confident	41 Å²	41	85 Å²	85	20%	0.202	49%	0.486	C	S	.	.	S	Bend	trans	-68.6	148.7	-179.8	-56.5	-174.2	-178.4	0	0	111.4	G766 D767 N805 N807	G766-M771 WeakPolarHBondContact O-CE 3.46Å; D767-M771 PolarHBondContact O-N 3.41Å; M771-N805 HydrophobicContact SD-CB 3.72Å; M771-N807 HydrophobicContact CB-CB 4.07Å; M771-N807 PolarHBondContact O-ND2 3.12Å
772	P	90.7	Very high	77.6	Confident	96 Å²	96	86.2 Å²	86.2	62%	0.623	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-70.1	163.1	177.6	29.1	-35.3	0	0	0	112	D774 N805	P772-D774 PolarHBondContact O-N 3.44Å; P772-N805 PolarHBondContact O-ND2 3.01Å; P772-N805 PolarHBondContact O-OD1 3.31Å
773	K	92.4	Very high	79.7	Confident	128 Å²	128	89.9 Å²	89.9	56%	0.557	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-60.5	130.7	165	58.6	168.2	-172.2	152	0	109.8	F786 F797	K773-F786 HydrophobicContact CB-CB 4.4Å; K773-F786 HydrophobicContact CB-CD1 4.06Å; K773-F786 HydrophobicContact CB-CD2 3.69Å; K773-F786 HydrophobicContact CB-CE1 4.25Å; K773-F786 HydrophobicContact CB-CE2 3.9Å; K773-F786 HydrophobicContact CB-CG 3.78Å; K773-F786 HydrophobicContact CB-CZ 4.17Å; K773-F786 HydrophobicContact CD-CE1 4.15Å; K773-F786 HydrophobicContact CD-CE2 4.45Å; K773-F786 HydrophobicContact CD-CZ 4.02Å; K773-F786 HydrophobicContact CG-CE2 4.22Å; K773-F786 HydrophobicContact CG-CZ 4.29Å; K773-F797 HydrophobicContact CB-CD2 4.2Å; K773-F797 HydrophobicContact CB-CG 4.3Å; K773-F797 HydrophobicContact CD-CB 4.28Å
774	D	94.2	Very high	82.1	Confident	61 Å²	61	84.5 Å²	84.5	33%	0.326	46%	0.46	S	S	.	.			trans	-130.1	108.7	179.1	-174.6	-1.9	0	0	0	111.1	P772 G776 F797 G804 N805	P772-D774 PolarHBondContact O-N 3.44Å; D774-G776 VanDerWaalsContact C-N 3.27Å; D774-G776 PolarHBondContact O-N 2.93Å; D774-G776 PolarHBondContact OD1-N 3.24Å; D774-F797 WeakPolarHBondContact O-CE2 3.09Å; D774-G804 VanDerWaalsContact OD2-CA 3.23Å; D774-G804 WeakPolarHBondContact OD2-CA 3.37Å; D774-N805 HydrophobicContact CB-CB 4.45Å; D774-N805 WeakPolarHBondContact CB-ND2 3.41Å
775	S	94.5	Very high	84.5	Confident	53 Å²	53	77.5 Å²	77.5	37%	0.371	43%	0.429	S	S	.	.			trans	-73.1	-17	179.1	-68.5	0	0	0	0	113.3	V798 G800	S775-V798 WeakPolarHBondContact CB-O 3.43Å; S775-V798 PolarHBondContact OG-O 3.36Å; S775-G800 VanDerWaalsContact O-CA 3.31Å; S775-G800 WeakPolarHBondContact O-CA 3Å; S775-G800 PolarHBondContact O-N 2.85Å
776	G	90.8	Very high	87	Confident	23 Å²	23	72.8 Å²	72.8	24%	0.237	40%	0.402	C	S	.	.			trans	66.3	178.7	-173	0	0	0	0	0	113.6	D774	D774-G776 VanDerWaalsContact C-N 3.27Å; D774-G776 PolarHBondContact O-N 2.93Å; D774-G776 PolarHBondContact OD1-N 3.24Å
777	P	89.8	Confident	89.1	Confident	84 Å²	84	70.8 Å²	70.8	55%	0.545	38%	0.381	S	S	.	.	S	Bend	trans	-87.2	-12.5	-174.4	34.4	-36.2	0	0	0	114.5	K803	P777-K803 HydrophobicContact CG-CB 4.46Å; P777-K803 HydrophobicContact CG-CD 3.69Å; P777-K803 HydrophobicContact CG-CG 3.99Å
778	C	92.2	Very high	90.1	Very high	57 Å²	57	67.3 Å²	67.3	39%	0.385	36%	0.362	S	S	.	.			trans	-77	161.5	-179.6	-72.3	0	0	0	0	112.2	G800 C802	C778-G800 CarbonylContact C-O 3.08Å; C778-G800 VanDerWaalsContact C-O 3.23Å; C778-G800 WeakPolarHBondContact CB-O 3.28Å; C778-G800 WeakPolarHBondContact O-CA 3.35Å; C778-C802 HydrophobicContact CB-CB 3.86Å; C778-C802 WeakPolarHBondContact CB-SG 3.19Å; C778-C802 WeakPolarHBondContact SG-CB 3.46Å; C778-C802 CovalentContact SG-SG 2.01Å; C778-C802 PolarHBondContact SG-SG 3.07Å
779	K	89.6	Confident	90.2	Very high	209 Å²	209	68.2 Å²	68.2	91%	0.909	37%	0.371	S	S	*	.			trans	-110	8.1	-171.2	-62.3	-171.4	179.6	-178.4	0	114.9	G800	K779-G800 PolarHBondContact N-O 3.05Å
780	A	79.7	Confident	90	Very high	48 Å²	48	74.2 Å²	74.2	40%	0.397	41%	0.407	S	S	.	.			trans	-70.6	155.5	173.9	0	0	0	0	0	110.5	H782 Y799 G800	A780-H782 WeakPolarHBondContact CB-NE2 3.14Å; A780-Y799 VanDerWaalsContact O-O 3.07Å; A780-G800 WeakPolarHBondContact CB-O 3.41Å; A780-G800 PolarHBondContact N-O 2.96Å; A780-G800 CarbonylContact O-C 3.58Å; A780-G800 VanDerWaalsContact O-CA 3.23Å; A780-G800 WeakPolarHBondContact O-CA 3.27Å
781	S	89.3	Confident	89.8	Confident	101 Å²	101	76.1 Å²	76.1	71%	0.706	41%	0.407	S	S	*	.			trans	-110.2	87.7	-178	-171.2	0	0	0	0	110.3
782	H	87.6	Confident	89.6	Confident	86 Å²	86	77 Å²	77	40%	0.398	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113	173.7	-58.2	-79.6	0	0	0	109.7	A780 K784 Y799	A780-H782 WeakPolarHBondContact CB-NE2 3.14Å; H782-K784 HydrophobicContact CB-CG 4.41Å; H782-K784 PolarHBondContact O-N 3.4Å; H782-Y799 HydrophobicContact CB-CD1 4.38Å; H782-Y799 PolarHBondContact N-O 2.92Å; H782-Y799 PolarHBondContact O-N 3.31Å
783	R	92.4	Very high	89.3	Confident	192 Å²	192	73.1 Å²	73.1	73%	0.725	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	115.3	171.6	-171.6	-179.4	-69.1	-112.1	3.5	108.4	T796	R783-T796 HydrophobicContact CG-CG2 4.39Å
784	K	94.3	Very high	89.2	Confident	44 Å²	44	67.3 Å²	67.3	19%	0.191	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	168.9	177.9	-64.3	-66.4	-176.7	179.5	0	109.6	H782 T796 F797 Y799 R808 D810	H782-K784 HydrophobicContact CB-CG 4.41Å; H782-K784 PolarHBondContact O-N 3.4Å; K784-T796 CarbonylContact O-C 3.56Å; K784-T796 VanDerWaalsContact O-CA 3.23Å; K784-T796 WeakPolarHBondContact O-CA 3.32Å; K784-F797 HydrophobicContact CB-CD1 4.16Å; K784-F797 HydrophobicContact CB-CE1 3.64Å; K784-F797 HydrophobicContact CB-CZ 4.21Å; K784-F797 PolarHBondContact N-O 3.38Å; K784-F797 WeakPolarHBondContact O-CD1 3.36Å; K784-F797 PolarHBondContact O-N 2.9Å; K784-Y799 HydrophobicContact CG-CD1 4.46Å; K784-R808 HydrophobicContact CB-CG 3.93Å; K784-R808 HydrophobicContact CG-CG 4Å; K784-D810 WeakPolarHBondContact CD-OD1 3.27Å; K784-D810 WeakPolarHBondContact CE-OD1 3.2Å; K784-D810 IonicContact NZ-OD1 2.58Å; K784-D810 PolarHBondContact NZ-OD1 3.19Å; K784-D810 IonicContact NZ-OD2 3.85Å
785	W	93.6	Very high	89	Confident	57 Å²	57	69.3 Å²	69.3	22%	0.216	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.7	175.4	-67.6	84.2	0	0	0	110.7	C794 R795 T796 R808 F809 K812 C815	W785-C794 HydrophobicContact CE3-CB 4.11Å; W785-C794 WeakPolarHBondContact CZ3-O 3.27Å; W785-R795 CarbonylContact C-O 3.47Å; W785-R795 VanDerWaalsContact CA-O 3.31Å; W785-R795 WeakPolarHBondContact CA-O 3.34Å; W785-T796 HydrophobicContact CD2-CG2 3.87Å; W785-T796 HydrophobicContact CE3-CG2 4.05Å; W785-T796 HydrophobicContact CH2-CG2 3.77Å; W785-T796 HydrophobicContact CZ2-CG2 3.58Å; W785-T796 HydrophobicContact CZ3-CG2 4Å; W785-R808 CarbonylContact O-C 3.51Å; W785-R808 VanDerWaalsContact O-CA 3.3Å; W785-R808 WeakPolarHBondContact O-CA 3.32Å; W785-F809 HydrophobicContact CB-CB 4.1Å; W785-F809 PolarHBondContact N-O 2.88Å; W785-F809 PolarHBondContact O-N 3.2Å; W785-K812 HydrophobicContact CD2-CB 3.92Å; W785-K812 HydrophobicContact CD2-CG 4.41Å; W785-K812 HydrophobicContact CE3-CB 4.06Å; W785-K812 HydrophobicContact CE3-CG 4.03Å; W785-K812 HydrophobicContact CH2-CB 3.85Å; W785-K812 HydrophobicContact CH2-CD 3.82Å; W785-K812 HydrophobicContact CH2-CG 3.85Å; W785-K812 HydrophobicContact CZ2-CB 3.69Å; W785-K812 HydrophobicContact CZ2-CD 4.4Å; W785-K812 HydrophobicContact CZ2-CG 4.23Å; W785-K812 HydrophobicContact CZ3-CB 4.02Å; W785-K812 HydrophobicContact CZ3-CD 4.03Å; W785-K812 HydrophobicContact CZ3-CG 3.73Å; W785-C815 HydrophobicContact CB-CB 4.24Å
786	F	94	Very high	88.8	Confident	21 Å²	21	69.7 Å²	69.7	9%	0.092	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.1	169.6	79.3	-75.8	0	0	0	108.7	K773 D788 C794 R795 F797 N807	K773-F786 HydrophobicContact CB-CB 4.4Å; K773-F786 HydrophobicContact CB-CD1 4.06Å; K773-F786 HydrophobicContact CB-CD2 3.69Å; K773-F786 HydrophobicContact CB-CE1 4.25Å; K773-F786 HydrophobicContact CB-CE2 3.9Å; K773-F786 HydrophobicContact CB-CG 3.78Å; K773-F786 HydrophobicContact CB-CZ 4.17Å; K773-F786 HydrophobicContact CD-CE1 4.15Å; K773-F786 HydrophobicContact CD-CE2 4.45Å; K773-F786 HydrophobicContact CD-CZ 4.02Å; K773-F786 HydrophobicContact CG-CE2 4.22Å; K773-F786 HydrophobicContact CG-CZ 4.29Å; F786-D788 HydrophobicContact CE2-CB 3.92Å; F786-D788 HydrophobicContact CZ-CB 4.29Å; F786-C794 CarbonylContact O-C 3.55Å; F786-C794 WeakPolarHBondContact O-CA 3.09Å; F786-R795 HydrophobicContact CD1-CB 4.24Å; F786-R795 VanDerWaalsContact CD1-O 3.22Å; F786-R795 WeakPolarHBondContact CD1-O 3.24Å; F786-R795 HydrophobicContact CE1-CB 3.62Å; F786-R795 HydrophobicContact CZ-CB 4.07Å; F786-R795 PolarHBondContact N-O 2.85Å; F786-R795 PolarHBondContact O-N 3.49Å; F786-F797 HydrophobicContact CB-CD1 3.89Å; F786-F797 HydrophobicContact CB-CE1 3.95Å; F786-F797 HydrophobicContact CD1-CB 3.84Å; F786-F797 AromaticContact CD1-CD1 3.73Å; F786-F797 HydrophobicContact CD1-CD1 3.73Å; F786-F797 HydrophobicContact CD1-CG 4.02Å; F786-F797 HydrophobicContact CE1-CB 4.07Å; F786-F797 HydrophobicContact CG-CD1 4.19Å; F786-N807 WeakPolarHBondContact CA-OD1 3.25Å; F786-N807 WeakPolarHBondContact CB-O 3.34Å
787	F	92.1	Very high	89	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.018	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	117	171.9	-177.6	-101.7	0	0	0	110.4	C769 A789 K792 N807 C819 V820 L823	C769-F787 HydrophobicContact CB-CB 4.31Å; C769-F787 HydrophobicContact CB-CD1 3.67Å; C769-F787 HydrophobicContact CB-CE1 4.14Å; C769-F787 HydrophobicContact CB-CG 4.16Å; C769-F787 VanDerWaalsContact O-CD1 3.24Å; C769-F787 WeakPolarHBondContact O-CD1 3.32Å; F787-A789 HydrophobicContact CD1-CB 4.42Å; F787-A789 HydrophobicContact CE1-CB 4.4Å; F787-A789 PolarHBondContact O-N 2.9Å; F787-A789 VanDerWaalsContact O-N 3.16Å; F787-K792 HydrophobicContact CE1-CD 4.1Å; F787-K792 HydrophobicContact CZ-CB 4.18Å; F787-K792 HydrophobicContact CZ-CD 3.75Å; F787-N807 PolarHBondContact N-OD1 3.3Å; F787-N807 PolarHBondContact O-ND2 3.09Å; F787-C819 HydrophobicContact CB-CB 3.68Å; F787-C819 HydrophobicContact CD1-CB 4.09Å; F787-C819 HydrophobicContact CD2-CB 3.44Å; F787-C819 VanDerWaalsContact CD2-CB 3.44Å; F787-C819 HydrophobicContact CE2-CB 4Å; F787-C819 HydrophobicContact CG-CB 3.47Å; F787-C819 VanDerWaalsContact CG-CB 3.47Å; F787-C819 HydrophobicContact CZ-CB 4.49Å; F787-V820 HydrophobicContact CD2-CG2 4.05Å; F787-V820 HydrophobicContact CE2-CG2 3.77Å; F787-L823 HydrophobicContact CE2-CD1 4.37Å; F787-L823 HydrophobicContact CZ-CD1 4.08Å; F787-L823 HydrophobicContact CZ-CD2 4.22Å
788	D	90.5	Very high	89.2	Confident	24 Å²	24	69 Å²	69	13%	0.128	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	99.9	171.7	-174.5	-35.6	0	0	0	108.5	F786 V790 K791 K792 V793 R795	F786-D788 HydrophobicContact CE2-CB 3.92Å; F786-D788 HydrophobicContact CZ-CB 4.29Å; D788-V790 PolarHBondContact O-N 3.44Å; D788-V790 WeakPolarHBondContact OD1-CB 3.49Å; D788-V790 PolarHBondContact OD1-N 3.03Å; D788-V790 VanDerWaalsContact OD1-N 3.12Å; D788-K791 HydrophobicContact CB-CB 4.23Å; D788-K791 PolarHBondContact O-N 3.35Å; D788-K791 PolarHBondContact OD1-N 3.25Å; D788-K791 WeakPolarHBondContact OD2-CD 3.17Å; D788-K791 IonicContact OD2-NZ 3.99Å; D788-K792 VanDerWaalsContact O-CA 3.31Å; D788-K792 WeakPolarHBondContact O-CA 3.44Å; D788-K792 PolarHBondContact O-N 2.89Å; D788-V793 HydrophobicContact CB-CG1 4.31Å; D788-V793 WeakPolarHBondContact CB-O 3.48Å; D788-V793 PolarHBondContact N-O 3.32Å; D788-V793 PolarHBondContact O-N 2.74Å; D788-R795 IonicContact OD2-NE 3.15Å
789	A	85.1	Confident	89.3	Confident	33 Å²	33	67.3 Å²	67.3	27%	0.273	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.6	-176.8	0	0	0	0	0	114	F787 K792	F787-A789 HydrophobicContact CD1-CB 4.42Å; F787-A789 HydrophobicContact CE1-CB 4.4Å; F787-A789 PolarHBondContact O-N 2.9Å; F787-A789 VanDerWaalsContact O-N 3.16Å; A789-K792 VanDerWaalsContact O-CD 3.29Å; A789-K792 WeakPolarHBondContact O-CD 3.38Å; A789-K792 WeakPolarHBondContact O-CE 3.38Å; A789-K792 PolarHBondContact O-NZ 2.88Å
790	V	82.3	Confident	89.3	Confident	131 Å²	131	57.6 Å²	57.6	79%	0.794	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-47.6	177.8	179.1	0	0	0	0	109.9	D788	D788-V790 PolarHBondContact O-N 3.44Å; D788-V790 WeakPolarHBondContact OD1-CB 3.49Å; D788-V790 PolarHBondContact OD1-N 3.03Å; D788-V790 VanDerWaalsContact OD1-N 3.12Å
791	K	82.1	Confident	89.6	Confident	105 Å²	105	57.1 Å²	57.1	46%	0.457	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.2	-177.1	-63.5	-178.8	-177.4	141.7	0	113.8	D788 V793	D788-K791 HydrophobicContact CB-CB 4.23Å; D788-K791 PolarHBondContact O-N 3.35Å; D788-K791 PolarHBondContact OD1-N 3.25Å; D788-K791 WeakPolarHBondContact OD2-CD 3.17Å; D788-K791 IonicContact OD2-NZ 3.99Å; K791-V793 HydrophobicContact CB-CG1 3.51Å; K791-V793 PolarHBondContact O-N 2.87Å
792	K	84.4	Confident	89.5	Confident	59 Å²	59	54 Å²	54	26%	0.257	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	43.7	-177.2	-56.6	-61.1	-176.7	-162.7	0	112.6	F787 D788 A789 L823 V827 L831	F787-K792 HydrophobicContact CE1-CD 4.1Å; F787-K792 HydrophobicContact CZ-CB 4.18Å; F787-K792 HydrophobicContact CZ-CD 3.75Å; D788-K792 VanDerWaalsContact O-CA 3.31Å; D788-K792 WeakPolarHBondContact O-CA 3.44Å; D788-K792 PolarHBondContact O-N 2.89Å; A789-K792 VanDerWaalsContact O-CD 3.29Å; A789-K792 WeakPolarHBondContact O-CD 3.38Å; A789-K792 WeakPolarHBondContact O-CE 3.38Å; A789-K792 PolarHBondContact O-NZ 2.88Å; K792-L823 HydrophobicContact CB-CD1 4.15Å; K792-L823 HydrophobicContact CD-CD1 4.39Å; K792-L823 HydrophobicContact CD-CD2 4.23Å; K792-V827 HydrophobicContact CD-CG1 4.42Å; K792-V827 HydrophobicContact CG-CG1 4.19Å; K792-L831 HydrophobicContact CB-CD1 4.13Å; K792-L831 HydrophobicContact CB-CD2 4.14Å; K792-L831 HydrophobicContact CG-CD2 4.24Å
793	V	85.1	Confident	89.5	Confident	16 Å²	16	57.4 Å²	57.4	10%	0.097	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.1	-175.5	56	0	0	0	0	111.1	D788 K791 R795 G864	D788-V793 HydrophobicContact CB-CG1 4.31Å; D788-V793 WeakPolarHBondContact CB-O 3.48Å; D788-V793 PolarHBondContact N-O 3.32Å; D788-V793 PolarHBondContact O-N 2.74Å; K791-V793 HydrophobicContact CB-CG1 3.51Å; K791-V793 PolarHBondContact O-N 2.87Å; V793-R795 HydrophobicContact CG1-CG 4.07Å; V793-R795 HydrophobicContact CG2-CG 4.37Å; V793-G864 WeakPolarHBondContact CG2-O 3.29Å
794	C	89.4	Confident	89.1	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.034	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.9	169.5	-68.1	0	0	0	0	110.9	W785 F786 C815 Q816	W785-C794 HydrophobicContact CE3-CB 4.11Å; W785-C794 WeakPolarHBondContact CZ3-O 3.27Å; F786-C794 CarbonylContact O-C 3.55Å; F786-C794 WeakPolarHBondContact O-CA 3.09Å; C794-C815 HydrophobicContact CB-CB 3.78Å; C794-C815 WeakPolarHBondContact CB-SG 3.34Å; C794-C815 WeakPolarHBondContact SG-CB 3.29Å; C794-C815 PolarHBondContact SG-O 3.37Å; C794-C815 CovalentContact SG-SG 2.03Å; C794-C815 PolarHBondContact SG-SG 2.9Å; C794-Q816 HydrophobicContact CB-CG 4.34Å; C794-Q816 PolarHBondContact SG-N 3.13Å
795	R	89.7	Confident	88.9	Confident	104 Å²	104	49.1 Å²	49.1	39%	0.392	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156	-178.5	-70.4	176.5	170.7	-136	-13	110.3	W785 F786 D788 V793	W785-R795 CarbonylContact C-O 3.47Å; W785-R795 VanDerWaalsContact CA-O 3.31Å; W785-R795 WeakPolarHBondContact CA-O 3.34Å; F786-R795 HydrophobicContact CD1-CB 4.24Å; F786-R795 VanDerWaalsContact CD1-O 3.22Å; F786-R795 WeakPolarHBondContact CD1-O 3.24Å; F786-R795 HydrophobicContact CE1-CB 3.62Å; F786-R795 HydrophobicContact CZ-CB 4.07Å; F786-R795 PolarHBondContact N-O 2.85Å; F786-R795 PolarHBondContact O-N 3.49Å; D788-R795 IonicContact OD2-NE 3.15Å; V793-R795 HydrophobicContact CG1-CG 4.07Å; V793-R795 HydrophobicContact CG2-CG 4.37Å
796	T	91.4	Very high	88.6	Confident	60 Å²	60	48 Å²	48	37%	0.368	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.4	174.2	62.2	0	0	0	0	111.4	R783 K784 W785	R783-T796 HydrophobicContact CG-CG2 4.39Å; K784-T796 CarbonylContact O-C 3.56Å; K784-T796 VanDerWaalsContact O-CA 3.23Å; K784-T796 WeakPolarHBondContact O-CA 3.32Å; W785-T796 HydrophobicContact CD2-CG2 3.87Å; W785-T796 HydrophobicContact CE3-CG2 4.05Å; W785-T796 HydrophobicContact CH2-CG2 3.77Å; W785-T796 HydrophobicContact CZ2-CG2 3.58Å; W785-T796 HydrophobicContact CZ3-CG2 4Å
797	F	94.2	Very high	88.6	Confident	14 Å²	14	47 Å²	47	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	166.2	167	79.9	-67.1	0	0	0	110.7	K773 D774 K784 F786 R808	K773-F797 HydrophobicContact CB-CD2 4.2Å; K773-F797 HydrophobicContact CB-CG 4.3Å; K773-F797 HydrophobicContact CD-CB 4.28Å; D774-F797 WeakPolarHBondContact O-CE2 3.09Å; K784-F797 HydrophobicContact CB-CD1 4.16Å; K784-F797 HydrophobicContact CB-CE1 3.64Å; K784-F797 HydrophobicContact CB-CZ 4.21Å; K784-F797 PolarHBondContact N-O 3.38Å; K784-F797 WeakPolarHBondContact O-CD1 3.36Å; K784-F797 PolarHBondContact O-N 2.9Å; F786-F797 HydrophobicContact CB-CD1 3.89Å; F786-F797 HydrophobicContact CB-CE1 3.95Å; F786-F797 HydrophobicContact CD1-CB 3.84Å; F786-F797 AromaticContact CD1-CD1 3.73Å; F786-F797 HydrophobicContact CD1-CD1 3.73Å; F786-F797 HydrophobicContact CD1-CG 4.02Å; F786-F797 HydrophobicContact CE1-CB 4.07Å; F786-F797 HydrophobicContact CG-CD1 4.19Å; F797-R808 HydrophobicContact CE1-CB 4.39Å; F797-R808 HydrophobicContact CE1-CG 4.13Å; F797-R808 HydrophobicContact CZ-CB 4.15Å; F797-R808 HydrophobicContact CZ-CG 3.89Å
798	V	93.3	Very high	88.7	Confident	78 Å²	78	50.4 Å²	50.4	47%	0.473	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.6	175.9	-178	0	0	0	0	108.9	S775	S775-V798 WeakPolarHBondContact CB-O 3.43Å; S775-V798 PolarHBondContact OG-O 3.36Å
799	Y	94.4	Very high	88.8	Confident	23 Å²	23	49.3 Å²	49.3	9%	0.09	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.1	175.4	174.2	-117.9	0	0	0	110.5	A780 H782 K784 G801 C802 K803	A780-Y799 VanDerWaalsContact O-O 3.07Å; H782-Y799 HydrophobicContact CB-CD1 4.38Å; H782-Y799 PolarHBondContact N-O 2.92Å; H782-Y799 PolarHBondContact O-N 3.31Å; K784-Y799 HydrophobicContact CG-CD1 4.46Å; Y799-G801 VanDerWaalsContact CE1-CA 3.45Å; Y799-G801 PolarHBondContact O-N 2.84Å; Y799-C802 VanDerWaalsContact OH-CA 3.29Å; Y799-C802 WeakPolarHBondContact OH-CA 3.44Å; Y799-C802 PolarHBondContact OH-N 3.5Å; Y799-K803 WeakPolarHBondContact CE2-O 3.01Å; Y799-K803 PolarHBondContact OH-O 3.36Å
800	G	90.9	Very high	89.1	Confident	5 Å²	5	52.5 Å²	52.5	5%	0.052	29%	0.286	C	S	.	.			trans	-67.6	-12.4	-174.5	0	0	0	0	0	115.4	S775 C778 K779 A780	S775-G800 VanDerWaalsContact O-CA 3.31Å; S775-G800 WeakPolarHBondContact O-CA 3Å; S775-G800 PolarHBondContact O-N 2.85Å; C778-G800 CarbonylContact C-O 3.08Å; C778-G800 VanDerWaalsContact C-O 3.23Å; C778-G800 WeakPolarHBondContact CB-O 3.28Å; C778-G800 WeakPolarHBondContact O-CA 3.35Å; K779-G800 PolarHBondContact N-O 3.05Å; A780-G800 WeakPolarHBondContact CB-O 3.41Å; A780-G800 PolarHBondContact N-O 2.96Å; A780-G800 CarbonylContact O-C 3.58Å; A780-G800 VanDerWaalsContact O-CA 3.23Å; A780-G800 WeakPolarHBondContact O-CA 3.27Å
801	G	85.6	Confident	89.4	Confident	37 Å²	37	49.2 Å²	49.2	38%	0.381	27%	0.267	S	S	.	.	S	Bend	trans	95.9	-1.7	178.9	0	0	0	0	0	115.3	Y799	Y799-G801 VanDerWaalsContact CE1-CA 3.45Å; Y799-G801 PolarHBondContact O-N 2.84Å
802	C	87	Confident	89.5	Confident	35 Å²	35	45.4 Å²	45.4	24%	0.236	25%	0.25	C	S	.	.	S	Bend	trans	-151.4	159.7	173.4	77.2	0	0	0	0	112.5	C778 Y799	C778-C802 HydrophobicContact CB-CB 3.86Å; C778-C802 WeakPolarHBondContact CB-SG 3.19Å; C778-C802 WeakPolarHBondContact SG-CB 3.46Å; C778-C802 CovalentContact SG-SG 2.01Å; C778-C802 PolarHBondContact SG-SG 3.07Å; Y799-C802 VanDerWaalsContact OH-CA 3.29Å; Y799-C802 WeakPolarHBondContact OH-CA 3.44Å; Y799-C802 PolarHBondContact OH-N 3.5Å
803	K	88.2	Confident	89.5	Confident	159 Å²	159	47.8 Å²	47.8	69%	0.691	26%	0.263	S	S	*	.			trans	53.7	-137.2	-173	-50.2	-164.4	-175	-179.8	0	111.3	P777 Y799 R808	P777-K803 HydrophobicContact CG-CB 4.46Å; P777-K803 HydrophobicContact CG-CD 3.69Å; P777-K803 HydrophobicContact CG-CG 3.99Å; Y799-K803 WeakPolarHBondContact CE2-O 3.01Å; Y799-K803 PolarHBondContact OH-O 3.36Å; K803-R808 PolarHBondContact O-NH1 3.08Å
804	G	84.5	Confident	89.6	Confident	27 Å²	27	50.6 Å²	50.6	28%	0.278	27%	0.274	S	S	.	.			trans	84.5	177.2	-173.1	0	0	0	0	0	112.4	D774	D774-G804 VanDerWaalsContact OD2-CA 3.23Å; D774-G804 WeakPolarHBondContact OD2-CA 3.37Å
805	N	89.4	Confident	89.7	Confident	34 Å²	34	50.3 Å²	50.3	18%	0.182	27%	0.273	C	S	.	.			trans	-110.2	-175.8	174.8	67.6	34	0	0	0	112	M771 P772 D774 N807 R808	M771-N805 HydrophobicContact SD-CB 3.72Å; P772-N805 PolarHBondContact O-ND2 3.01Å; P772-N805 PolarHBondContact O-OD1 3.31Å; D774-N805 HydrophobicContact CB-CB 4.45Å; D774-N805 WeakPolarHBondContact CB-ND2 3.41Å; N805-N807 VanDerWaalsContact C-N 3.3Å; N805-N807 PolarHBondContact O-N 3.16Å; N805-N807 WeakPolarHBondContact OD1-CB 3.25Å; N805-N807 PolarHBondContact OD1-N 3.18Å; N805-R808 PolarHBondContact O-NH1 3.07Å
806	G	88	Confident	89.5	Confident	34 Å²	34	48.5 Å²	48.5	35%	0.351	27%	0.269	S	S	.	.	S	Bend	trans	-70.8	-17.2	-176.3	0	0	0	0	0	115.1	V768 R808	V768-G806 VanDerWaalsContact CG1-C 3.41Å; V768-G806 WeakPolarHBondContact CG1-O 3.35Å; G806-R808 PolarHBondContact O-N 3.04Å
807	N	93.1	Very high	89	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.283	C	S	.	.			trans	-77.5	59.8	-178.8	-161.2	-1.5	0	0	0	111.5	V768 M771 F786 F787 N805 F809	V768-N807 WeakPolarHBondContact O-CB 3.26Å; M771-N807 HydrophobicContact CB-CB 4.07Å; M771-N807 PolarHBondContact O-ND2 3.12Å; F786-N807 WeakPolarHBondContact CA-OD1 3.25Å; F786-N807 WeakPolarHBondContact CB-O 3.34Å; F787-N807 PolarHBondContact N-OD1 3.3Å; F787-N807 PolarHBondContact O-ND2 3.09Å; N805-N807 VanDerWaalsContact C-N 3.3Å; N805-N807 PolarHBondContact O-N 3.16Å; N805-N807 WeakPolarHBondContact OD1-CB 3.25Å; N805-N807 PolarHBondContact OD1-N 3.18Å; N807-F809 WeakPolarHBondContact OD1-CE2 3.4Å
808	R	94	Very high	88.7	Confident	76 Å²	76	58.1 Å²	58.1	29%	0.287	30%	0.304	S	S	.	.			trans	-148.5	115	-172.8	-178	178	66.2	-116.1	3	109.1	K784 W785 F797 K803 N805 G806	K784-R808 HydrophobicContact CB-CG 3.93Å; K784-R808 HydrophobicContact CG-CG 4Å; W785-R808 CarbonylContact O-C 3.51Å; W785-R808 VanDerWaalsContact O-CA 3.3Å; W785-R808 WeakPolarHBondContact O-CA 3.32Å; F797-R808 HydrophobicContact CE1-CB 4.39Å; F797-R808 HydrophobicContact CE1-CG 4.13Å; F797-R808 HydrophobicContact CZ-CB 4.15Å; F797-R808 HydrophobicContact CZ-CG 3.89Å; K803-R808 PolarHBondContact O-NH1 3.08Å; N805-R808 PolarHBondContact O-NH1 3.07Å; G806-R808 PolarHBondContact O-N 3.04Å
809	F	93.9	Very high	88.5	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-124.3	150.9	-176.1	-50.3	-74.6	0	0	0	110.7	V768 W785 N807 E814 C815 R818 C819	V768-F809 HydrophobicContact CG1-CE1 4.39Å; V768-F809 HydrophobicContact CG1-CZ 3.93Å; W785-F809 HydrophobicContact CB-CB 4.1Å; W785-F809 PolarHBondContact N-O 2.88Å; W785-F809 PolarHBondContact O-N 3.2Å; N807-F809 WeakPolarHBondContact OD1-CE2 3.4Å; F809-E814 HydrophobicContact CB-CB 4.32Å; F809-E814 HydrophobicContact CB-CG 4.28Å; F809-E814 HydrophobicContact CD1-CG 3.9Å; F809-E814 HydrophobicContact CG-CG 4.5Å; F809-C815 HydrophobicContact CB-CB 3.91Å; F809-C815 HydrophobicContact CD2-CB 3.33Å; F809-C815 VanDerWaalsContact CD2-SG 3.56Å; F809-C815 HydrophobicContact CE2-CB 3.96Å; F809-C815 HydrophobicContact CG-CB 3.66Å; F809-R818 HydrophobicContact CE1-CB 4.29Å; F809-R818 HydrophobicContact CE1-CG 4.48Å; F809-C819 VanDerWaalsContact CZ-SG 3.58Å
810	D	90	Very high	88.1	Confident	99 Å²	99	54.1 Å²	54.1	53%	0.529	28%	0.282	S	S	.	.	S	Bend	trans	-80.8	-32.5	-178.2	-73.2	-8.5	0	0	0	111.5	K784 E814	K784-D810 WeakPolarHBondContact CD-OD1 3.27Å; K784-D810 WeakPolarHBondContact CE-OD1 3.2Å; K784-D810 IonicContact NZ-OD1 2.58Å; K784-D810 PolarHBondContact NZ-OD1 3.19Å; K784-D810 IonicContact NZ-OD2 3.85Å; D810-E814 PolarHBondContact N-OE2 3.3Å
811	T	88.1	Confident	87.5	Confident	63 Å²	63	57 Å²	57	39%	0.387	31%	0.306	S	S	.	.	S	Bend	trans	-127	162.7	-177.6	66.5	0	0	0	0	111.5	E813 E814 C815	T811-E813 VanDerWaalsContact C-N 3.29Å; T811-E813 WeakPolarHBondContact CB-OE2 3.5Å; T811-E814 VanDerWaalsContact OG1-CB 3.27Å; T811-E814 WeakPolarHBondContact OG1-CB 3.45Å; T811-E814 PolarHBondContact OG1-N 2.9Å; T811-E814 VanDerWaalsContact OG1-N 3.14Å; T811-C815 PolarHBondContact O-N 3.31Å
812	K	85.8	Confident	87.2	Confident	24 Å²	24	60.1 Å²	60.1	10%	0.104	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-39.4	174.9	-176.2	-176.4	175.5	-173.1	0	110	W785 C815 Q816 Y859 E863	W785-K812 HydrophobicContact CD2-CB 3.92Å; W785-K812 HydrophobicContact CD2-CG 4.41Å; W785-K812 HydrophobicContact CE3-CB 4.06Å; W785-K812 HydrophobicContact CE3-CG 4.03Å; W785-K812 HydrophobicContact CH2-CB 3.85Å; W785-K812 HydrophobicContact CH2-CD 3.82Å; W785-K812 HydrophobicContact CH2-CG 3.85Å; W785-K812 HydrophobicContact CZ2-CB 3.69Å; W785-K812 HydrophobicContact CZ2-CD 4.4Å; W785-K812 HydrophobicContact CZ2-CG 4.23Å; W785-K812 HydrophobicContact CZ3-CB 4.02Å; W785-K812 HydrophobicContact CZ3-CD 4.03Å; W785-K812 HydrophobicContact CZ3-CG 3.73Å; K812-C815 WeakPolarHBondContact O-CB 3.3Å; K812-C815 PolarHBondContact O-N 2.86Å; K812-Q816 HydrophobicContact CG-CG 4.23Å; K812-Q816 WeakPolarHBondContact O-CB 3.24Å; K812-Q816 VanDerWaalsContact O-CG 3.29Å; K812-Q816 WeakPolarHBondContact O-CG 3.42Å; K812-Q816 PolarHBondContact O-N 3.4Å; K812-Y859 PolarHBondContact NZ-OH 3.17Å; K812-E863 PolarHBondContact NZ-O 3.14Å
813	E	83	Confident	87	Confident	110 Å²	110	59.4 Å²	59.4	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-47.3	-176.7	-65.5	65.5	-144.5	0	0	110.3	T811 C815 Q816 E817	T811-E813 VanDerWaalsContact C-N 3.29Å; T811-E813 WeakPolarHBondContact CB-OE2 3.5Å; E813-C815 PolarHBondContact O-N 3.44Å; E813-Q816 PolarHBondContact O-N 2.66Å; E813-Q816 VanDerWaalsContact O-N 3.12Å; E813-E817 WeakPolarHBondContact O-CB 3.41Å; E813-E817 WeakPolarHBondContact O-CG 3.28Å; E813-E817 PolarHBondContact O-N 2.77Å
814	E	88	Confident	86.8	Confident	74 Å²	74	55 Å²	55	35%	0.346	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-45	175.5	-175.4	-168.8	174.9	0	0	112	F809 D810 T811 R818	F809-E814 HydrophobicContact CB-CB 4.32Å; F809-E814 HydrophobicContact CB-CG 4.28Å; F809-E814 HydrophobicContact CD1-CG 3.9Å; F809-E814 HydrophobicContact CG-CG 4.5Å; D810-E814 PolarHBondContact N-OE2 3.3Å; T811-E814 VanDerWaalsContact OG1-CB 3.27Å; T811-E814 WeakPolarHBondContact OG1-CB 3.45Å; T811-E814 PolarHBondContact OG1-N 2.9Å; T811-E814 VanDerWaalsContact OG1-N 3.14Å; E814-R818 WeakPolarHBondContact O-CB 3.15Å; E814-R818 PolarHBondContact O-N 2.86Å
815	C	90.4	Very high	86.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-42.6	175.1	178.6	0	0	0	0	111.8	W785 C794 F809 T811 K812 E813 C819	W785-C815 HydrophobicContact CB-CB 4.24Å; C794-C815 HydrophobicContact CB-CB 3.78Å; C794-C815 WeakPolarHBondContact CB-SG 3.34Å; C794-C815 WeakPolarHBondContact SG-CB 3.29Å; C794-C815 PolarHBondContact SG-O 3.37Å; C794-C815 CovalentContact SG-SG 2.03Å; C794-C815 PolarHBondContact SG-SG 2.9Å; F809-C815 HydrophobicContact CB-CB 3.91Å; F809-C815 HydrophobicContact CD2-CB 3.33Å; F809-C815 VanDerWaalsContact CD2-SG 3.56Å; F809-C815 HydrophobicContact CE2-CB 3.96Å; F809-C815 HydrophobicContact CG-CB 3.66Å; T811-C815 PolarHBondContact O-N 3.31Å; K812-C815 WeakPolarHBondContact O-CB 3.3Å; K812-C815 PolarHBondContact O-N 2.86Å; E813-C815 PolarHBondContact O-N 3.44Å; C815-C819 VanDerWaalsContact O-CB 3.25Å; C815-C819 WeakPolarHBondContact O-CB 3.44Å; C815-C819 PolarHBondContact O-N 3.12Å
816	Q	85.5	Confident	86.4	Confident	65 Å²	65	55.5 Å²	55.5	30%	0.304	30%	0.302	S	S	.	.	I	π-helix	trans	-68.5	-44.2	-178.7	-74.8	-177	-48.8	0	0	111.9	C794 K812 E813 V820 A821	C794-Q816 HydrophobicContact CB-CG 4.34Å; C794-Q816 PolarHBondContact SG-N 3.13Å; K812-Q816 HydrophobicContact CG-CG 4.23Å; K812-Q816 WeakPolarHBondContact O-CB 3.24Å; K812-Q816 VanDerWaalsContact O-CG 3.29Å; K812-Q816 WeakPolarHBondContact O-CG 3.42Å; K812-Q816 PolarHBondContact O-N 3.4Å; E813-Q816 PolarHBondContact O-N 2.66Å; E813-Q816 VanDerWaalsContact O-N 3.12Å; Q816-V820 HydrophobicContact CB-CB 4.35Å; Q816-V820 HydrophobicContact CB-CG2 4.38Å; Q816-V820 HydrophobicContact CG-CG2 4.19Å; Q816-V820 CarbonylContact O-C 3.14Å; Q816-V820 VanDerWaalsContact O-CA 3.29Å; Q816-V820 WeakPolarHBondContact O-CA 3.36Å; Q816-V820 WeakPolarHBondContact O-CB 3.24Å; Q816-V820 PolarHBondContact O-N 2.76Å; Q816-A821 PolarHBondContact O-N 2.56Å
817	E	82.8	Confident	86.3	Confident	145 Å²	145	56.2 Å²	56.2	68%	0.678	30%	0.299	S	S	*	.	I	π-helix	trans	-63.8	-42.1	177.1	-73.9	-176.9	169.4	0	0	111.5	E813 A821	E813-E817 WeakPolarHBondContact O-CB 3.41Å; E813-E817 WeakPolarHBondContact O-CG 3.28Å; E813-E817 PolarHBondContact O-N 2.77Å; E817-A821 WeakPolarHBondContact O-CB 3.3Å
818	R	87.4	Confident	86.1	Confident	131 Å²	131	56.6 Å²	56.6	49%	0.494	30%	0.301	S	S	.	.	I	π-helix	trans	-76.3	-41	-178	-161.6	179.5	-174.1	152	-5.8	113.4	F809 E814 T822	F809-R818 HydrophobicContact CE1-CB 4.29Å; F809-R818 HydrophobicContact CE1-CG 4.48Å; E814-R818 WeakPolarHBondContact O-CB 3.15Å; E814-R818 PolarHBondContact O-N 2.86Å; R818-T822 WeakPolarHBondContact O-CG2 3.26Å; R818-T822 PolarHBondContact O-OG1 2.6Å; R818-T822 VanDerWaalsContact O-OG1 3.09Å
819	C	89.1	Confident	85.9	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.007	29%	0.29	C	S	.	.	I	π-helix	trans	-111.7	-26.1	-169	-62.5	0	0	0	0	115.5	C769 F787 F809 C815 L823	C769-C819 HydrophobicContact CB-CB 3.56Å; C769-C819 WeakPolarHBondContact CB-SG 3.42Å; C769-C819 WeakPolarHBondContact SG-CA 3.31Å; C769-C819 WeakPolarHBondContact SG-CB 3.47Å; C769-C819 CovalentContact SG-SG 2.02Å; C769-C819 PolarHBondContact SG-SG 2.83Å; F787-C819 HydrophobicContact CB-CB 3.68Å; F787-C819 HydrophobicContact CD1-CB 4.09Å; F787-C819 HydrophobicContact CD2-CB 3.44Å; F787-C819 VanDerWaalsContact CD2-CB 3.44Å; F787-C819 HydrophobicContact CE2-CB 4Å; F787-C819 HydrophobicContact CG-CB 3.47Å; F787-C819 VanDerWaalsContact CG-CB 3.47Å; F787-C819 HydrophobicContact CZ-CB 4.49Å; F809-C819 VanDerWaalsContact CZ-SG 3.58Å; C815-C819 VanDerWaalsContact O-CB 3.25Å; C815-C819 WeakPolarHBondContact O-CB 3.44Å; C815-C819 PolarHBondContact O-N 3.12Å; C819-L823 WeakPolarHBondContact O-CG 3.27Å
820	V	85.4	Confident	85.7	Confident	17 Å²	17	61.1 Å²	61.1	10%	0.103	32%	0.32	C	S	.	.	I	π-helix	trans	-96.1	-43.2	-178.2	-179.8	0	0	0	0	111.2	F787 Q816 T822 L823 A866	F787-V820 HydrophobicContact CD2-CG2 4.05Å; F787-V820 HydrophobicContact CE2-CG2 3.77Å; Q816-V820 HydrophobicContact CB-CB 4.35Å; Q816-V820 HydrophobicContact CB-CG2 4.38Å; Q816-V820 HydrophobicContact CG-CG2 4.19Å; Q816-V820 CarbonylContact O-C 3.14Å; Q816-V820 VanDerWaalsContact O-CA 3.29Å; Q816-V820 WeakPolarHBondContact O-CA 3.36Å; Q816-V820 WeakPolarHBondContact O-CB 3.24Å; Q816-V820 PolarHBondContact O-N 2.76Å; V820-T822 PolarHBondContact O-N 2.92Å; V820-L823 HydrophobicContact CG1-CD1 4.48Å; V820-L823 WeakPolarHBondContact O-CB 3Å; V820-L823 PolarHBondContact O-N 2.85Å; V820-L823 VanDerWaalsContact O-N 3.12Å; V820-A866 HydrophobicContact CG1-CB 3.48Å; V820-A866 VanDerWaalsContact CG1-CB 3.48Å
821	A	77.7	Confident	85.7	Confident	66 Å²	66	57.7 Å²	57.7	55%	0.545	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26	-177.4	0	0	0	0	0	113.1	Q816 E817	Q816-A821 PolarHBondContact O-N 2.56Å; E817-A821 WeakPolarHBondContact O-CB 3.3Å
822	T	79.7	Confident	85.8	Confident	101 Å²	101	59.1 Å²	59.1	62%	0.62	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.6	177.5	53.4	0	0	0	0	113.5	R818 V820	R818-T822 WeakPolarHBondContact O-CG2 3.26Å; R818-T822 PolarHBondContact O-OG1 2.6Å; R818-T822 VanDerWaalsContact O-OG1 3.09Å; V820-T822 PolarHBondContact O-N 2.92Å
823	L	83.8	Confident	86	Confident	20 Å²	20	63.3 Å²	63.3	11%	0.105	33%	0.327	C	S	.	.	S	Bend	trans	-65.1	134.2	178	-66.4	174.6	0	0	0	110.6	F787 K792 C819 V820 I828	F787-L823 HydrophobicContact CE2-CD1 4.37Å; F787-L823 HydrophobicContact CZ-CD1 4.08Å; F787-L823 HydrophobicContact CZ-CD2 4.22Å; K792-L823 HydrophobicContact CB-CD1 4.15Å; K792-L823 HydrophobicContact CD-CD1 4.39Å; K792-L823 HydrophobicContact CD-CD2 4.23Å; C819-L823 WeakPolarHBondContact O-CG 3.27Å; V820-L823 HydrophobicContact CG1-CD1 4.48Å; V820-L823 WeakPolarHBondContact O-CB 3Å; V820-L823 PolarHBondContact O-N 2.85Å; V820-L823 VanDerWaalsContact O-N 3.12Å; L823-I828 HydrophobicContact CB-CD1 4.02Å; L823-I828 HydrophobicContact CB-CG1 3.76Å; L823-I828 WeakPolarHBondContact O-CD1 3.21Å
824	P	83.8	Confident	86.3	Confident	66 Å²	66	59.3 Å²	59.3	43%	0.429	31%	0.313	S	S	.	.			trans	-65.3	148.2	176.8	27.8	-34.4	0	0	0	110.2	S826 V827 I828	P824-S826 PolarHBondContact O-N 2.89Å; P824-S826 VanDerWaalsContact O-N 3.07Å; P824-V827 HydrophobicContact CG-CB 4.25Å; P824-V827 HydrophobicContact CG-CG2 3.8Å; P824-V827 PolarHBondContact O-N 3.47Å; P824-I828 PolarHBondContact O-N 2.87Å
825	A	81.8	Confident	86.3	Confident	25 Å²	25	60.1 Å²	60.1	21%	0.207	32%	0.318	C	S	.	.	H	α-helix	trans	-53.6	-32.5	177.2	0	0	0	0	0	112.5	V827 I828 C829 K878	A825-V827 PolarHBondContact O-N 2.8Å; A825-I828 PolarHBondContact O-N 2.93Å; A825-C829 VanDerWaalsContact O-CB 3.25Å; A825-C829 WeakPolarHBondContact O-CB 3.27Å; A825-C829 PolarHBondContact O-N 3.4Å; A825-C829 PolarHBondContact O-SG 3.42Å; A825-K878 VanDerWaalsContact CB-O 3.27Å; A825-K878 WeakPolarHBondContact CB-O 3.19Å
826	S	82.7	Confident	86	Confident	47 Å²	47	61.1 Å²	61.1	33%	0.329	33%	0.328	S	S	.	.	H	α-helix	trans	-59.2	-27.6	176	48.3	0	0	0	0	114.2	P824 R830	P824-S826 PolarHBondContact O-N 2.89Å; P824-S826 VanDerWaalsContact O-N 3.07Å; S826-R830 VanDerWaalsContact O-CD 3.25Å; S826-R830 WeakPolarHBondContact O-CD 3.35Å; S826-R830 WeakPolarHBondContact O-CG 3.48Å; S826-R830 PolarHBondContact O-NE 2.81Å
827	V	86.2	Confident	85.9	Confident	49 Å²	49	62.5 Å²	62.5	30%	0.297	35%	0.345	S	S	.	.	H	α-helix	trans	-89.7	-50.6	176.4	174.1	0	0	0	0	110.1	K792 P824 A825 C829 R830	K792-V827 HydrophobicContact CD-CG1 4.42Å; K792-V827 HydrophobicContact CG-CG1 4.19Å; P824-V827 HydrophobicContact CG-CB 4.25Å; P824-V827 HydrophobicContact CG-CG2 3.8Å; P824-V827 PolarHBondContact O-N 3.47Å; A825-V827 PolarHBondContact O-N 2.8Å; V827-C829 VanDerWaalsContact C-N 3.34Å; V827-C829 PolarHBondContact O-N 3.47Å; V827-R830 PolarHBondContact O-N 2.85Å
828	I	88.8	Confident	85.8	Confident	8 Å²	8	58.2 Å²	58.2	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-54.1	-51	-178	-64.7	178.7	0	0	0	111.1	L823 P824 A825 R830 L831 A866 N867 F869	L823-I828 HydrophobicContact CB-CD1 4.02Å; L823-I828 HydrophobicContact CB-CG1 3.76Å; L823-I828 WeakPolarHBondContact O-CD1 3.21Å; P824-I828 PolarHBondContact O-N 2.87Å; A825-I828 PolarHBondContact O-N 2.93Å; I828-R830 PolarHBondContact O-N 3.37Å; I828-R830 VanDerWaalsContact O-N 3.13Å; I828-L831 WeakPolarHBondContact O-CB 3.35Å; I828-L831 PolarHBondContact O-N 3.18Å; I828-L831 VanDerWaalsContact O-N 3.14Å; I828-A866 HydrophobicContact CB-CB 4.19Å; I828-A866 HydrophobicContact CD1-CB 4.14Å; I828-A866 HydrophobicContact CG1-CB 3.74Å; I828-A866 HydrophobicContact CG2-CB 3.75Å; I828-A866 WeakPolarHBondContact CG2-O 3.49Å; I828-N867 WeakPolarHBondContact O-CB 3.01Å; I828-F869 HydrophobicContact CG2-CZ 4.05Å
829	C	90.4	Very high	85.6	Confident	7 Å²	7	58.1 Å²	58.1	5%	0.047	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-1.7	-171.7	-51.2	0	0	0	0	113.5	A825 V827 F847 C879	A825-C829 VanDerWaalsContact O-CB 3.25Å; A825-C829 WeakPolarHBondContact O-CB 3.27Å; A825-C829 PolarHBondContact O-N 3.4Å; A825-C829 PolarHBondContact O-SG 3.42Å; V827-C829 VanDerWaalsContact C-N 3.34Å; V827-C829 PolarHBondContact O-N 3.47Å; C829-F847 HydrophobicContact CB-CB 4.22Å; C829-F847 HydrophobicContact CB-CD1 3.91Å; C829-F847 HydrophobicContact CB-CG 4.2Å; C829-F847 WeakPolarHBondContact O-CD1 3.36Å; C829-C879 HydrophobicContact CB-CB 3.65Å; C829-C879 WeakPolarHBondContact CB-SG 3.3Å; C829-C879 WeakPolarHBondContact SG-CA 3.46Å; C829-C879 WeakPolarHBondContact SG-CB 3.48Å; C829-C879 CovalentContact SG-SG 2.02Å; C829-C879 PolarHBondContact SG-SG 3.47Å
830	R	90.4	Very high	84.8	Confident	166 Å²	166	60.9 Å²	60.9	63%	0.626	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-8.3	173.5	-68.5	-177.5	-173.3	-147.2	1.4	112.8	S826 V827 I828 F849	S826-R830 VanDerWaalsContact O-CD 3.25Å; S826-R830 WeakPolarHBondContact O-CD 3.35Å; S826-R830 WeakPolarHBondContact O-CG 3.48Å; S826-R830 PolarHBondContact O-NE 2.81Å; V827-R830 PolarHBondContact O-N 2.85Å; I828-R830 PolarHBondContact O-N 3.37Å; I828-R830 VanDerWaalsContact O-N 3.13Å; R830-F849 HydrophobicContact CG-CD2 3.68Å; R830-F849 HydrophobicContact CG-CE2 3.77Å; R830-F849 HydrophobicContact CG-CG 4.12Å; R830-F849 HydrophobicContact CG-CZ 4.28Å
831	L	89	Confident	84.7	Confident	27 Å²	27	66.4 Å²	66.4	14%	0.141	40%	0.398	C	S	.	.	S	Bend	trans	-70.3	143.5	178.1	-61	170.9	0	0	0	109.7	K792 I828 N865 A866 N867	K792-L831 HydrophobicContact CB-CD1 4.13Å; K792-L831 HydrophobicContact CB-CD2 4.14Å; K792-L831 HydrophobicContact CG-CD2 4.24Å; I828-L831 WeakPolarHBondContact O-CB 3.35Å; I828-L831 PolarHBondContact O-N 3.18Å; I828-L831 VanDerWaalsContact O-N 3.14Å; L831-N865 HydrophobicContact CD1-CB 4.1Å; L831-A866 HydrophobicContact CD1-CB 4.09Å; L831-N867 HydrophobicContact CB-CB 4.03Å; L831-N867 PolarHBondContact O-ND2 2.92Å
832	P	90.1	Very high	85	Confident	93 Å²	93	66.5 Å²	66.5	60%	0.604	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-63.4	156.9	170.5	28.3	-34.6	0	0	0	110.1	N865	P832-N865 PolarHBondContact O-ND2 2.75Å; P832-N865 PolarHBondContact O-OD1 3.41Å
833	Y	91.1	Very high	85.6	Confident	112 Å²	112	70 Å²	70	44%	0.439	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-62.5	146.6	168.6	74.5	-87	0	0	0	109.8	M835 F846 F857	Y833-M835 HydrophobicContact CD2-CG 4.1Å; Y833-M835 HydrophobicContact CE2-CE 3.59Å; Y833-M835 HydrophobicContact CE2-CG 3.81Å; Y833-F846 VanDerWaalsContact CB-CG 3.49Å; Y833-F846 HydrophobicContact CD1-CD2 4.48Å; Y833-F846 HydrophobicContact CD1-CE1 4.07Å; Y833-F846 AromaticContact CD1-CE2 3.96Å; Y833-F846 HydrophobicContact CD1-CE2 3.96Å; Y833-F846 AromaticContact CD1-CZ 3.73Å; Y833-F846 HydrophobicContact CD1-CZ 3.73Å; Y833-F846 HydrophobicContact CG-CD1 4.29Å; Y833-F846 HydrophobicContact CG-CE1 4.16Å; Y833-F846 HydrophobicContact CG-CE2 4.44Å; Y833-F846 HydrophobicContact CG-CG 4.48Å; Y833-F846 HydrophobicContact CG-CZ 4.24Å; Y833-F857 HydrophobicContact CD2-CB 4.2Å; Y833-F857 AromaticContact CD2-CD2 3.76Å; Y833-F857 HydrophobicContact CD2-CD2 3.76Å; Y833-F857 HydrophobicContact CD2-CE2 4.45Å; Y833-F857 HydrophobicContact CD2-CG 4.16Å; Y833-F857 HydrophobicContact CG-CD2 4.38Å; Y833-F857 HydrophobicContact CG-CG 4.46Å
834	A	88.5	Confident	86	Confident	26 Å²	26	72 Å²	72	22%	0.215	40%	0.397	C	S	.	.			trans	-131.8	105	-179.7	0	0	0	0	0	109.7	G836 F857 N865	A834-G836 VanDerWaalsContact C-N 3.26Å; A834-G836 PolarHBondContact O-N 3.26Å; A834-F857 WeakPolarHBondContact O-CE2 3.47Å; A834-N865 HydrophobicContact CB-CB 4.46Å
835	M	88.6	Confident	86.5	Confident	91 Å²	91	70.2 Å²	70.2	45%	0.448	38%	0.383	S	S	.	.			trans	-60.7	-36.3	-179.5	-61.4	-168	-170.6	0	0	112	Y833 F857 T858 Y859 T860	Y833-M835 HydrophobicContact CD2-CG 4.1Å; Y833-M835 HydrophobicContact CE2-CE 3.59Å; Y833-M835 HydrophobicContact CE2-CG 3.81Å; M835-F857 HydrophobicContact CG-CD2 4.42Å; M835-T858 WeakPolarHBondContact CB-O 3.43Å; M835-T858 WeakPolarHBondContact CG-O 3.04Å; M835-Y859 WeakPolarHBondContact O-CD2 3.39Å; M835-T860 HydrophobicContact CB-CG2 4.45Å; M835-T860 PolarHBondContact O-N 2.98Å; M835-T860 PolarHBondContact O-OG1 2.83Å
836	G	84	Confident	87.1	Confident	20 Å²	20	70 Å²	70	21%	0.206	38%	0.377	C	S	.	.			trans	78.3	169.8	-172.9	0	0	0	0	0	113.1	A834 T860 C862	A834-G836 VanDerWaalsContact C-N 3.26Å; A834-G836 PolarHBondContact O-N 3.26Å; G836-T860 WeakPolarHBondContact O-CG2 3.39Å; G836-T860 PolarHBondContact O-OG1 3.38Å; G836-C862 WeakPolarHBondContact CA-O 3.36Å
837	S	82.1	Confident	87.6	Confident	94 Å²	94	67.8 Å²	67.8	66%	0.657	36%	0.362	S	S	*	.	S	Bend	trans	-101.5	10.7	-170.5	-50.5	0	0	0	0	116.1	T860 E863	S837-T860 PolarHBondContact N-OG1 3.49Å; S837-E863 VanDerWaalsContact CB-OE2 3.27Å; S837-E863 WeakPolarHBondContact CB-OE2 3.35Å; S837-E863 PolarHBondContact N-OE2 2.03Å; S837-E863 PolarHBondContact OG-OE1 3.49Å; S837-E863 PolarHBondContact OG-OE2 3.22Å
838	C	82.3	Confident	87.9	Confident	55 Å²	55	66.2 Å²	66.2	37%	0.372	35%	0.351	S	S	.	.	S	Bend	trans	-85	-167.8	178.1	-80.7	0	0	0	0	112.5	T860 C862	C838-T860 VanDerWaalsContact C-CB 3.43Å; C838-T860 CarbonylContact C-O 3.53Å; C838-T860 WeakPolarHBondContact CB-O 3.24Å; C838-T860 PolarHBondContact N-OG1 2.77Å; C838-T860 WeakPolarHBondContact O-CB 2.93Å; C838-C862 HydrophobicContact CB-CB 3.83Å; C838-C862 WeakPolarHBondContact CB-SG 3.03Å; C838-C862 PolarHBondContact N-SG 2.86Å; C838-C862 VanDerWaalsContact N-SG 3.4Å; C838-C862 WeakPolarHBondContact SG-CB 3.32Å; C838-C862 CovalentContact SG-SG 2Å; C838-C862 PolarHBondContact SG-SG 2.62Å
839	S	82.4	Confident	87.8	Confident	129 Å²	129	69.4 Å²	69.4	90%	0.902	37%	0.365	S	S	*	.	S	Bend	trans	-120.1	6.3	-173	-47	0	0	0	0	114.7	T860	S839-T860 PolarHBondContact N-O 3Å
840	S	71.9	Confident	87.6	Confident	60 Å²	60	77.7 Å²	77.7	42%	0.42	40%	0.403	S	S	.	.			trans	-72.6	161.3	174.9	-49	0	0	0	0	110.4	T860	S840-T860 WeakPolarHBondContact CA-O 3.3Å; S840-T860 WeakPolarHBondContact CB-O 3.38Å; S840-T860 PolarHBondContact N-O 3.49Å; S840-T860 VanDerWaalsContact O-CA 3.26Å; S840-T860 WeakPolarHBondContact O-CA 3.4Å; S840-T860 PolarHBondContact OG-O 3.38Å
841	N	83.5	Confident	87.5	Confident	132 Å²	132	72.5 Å²	72.5	71%	0.706	39%	0.39	S	S	*	.			trans	-121	65.2	174.1	-166.5	-6.2	0	0	0	109.6	T858	N841-T858 WeakPolarHBondContact OD1-CG2 3.45Å; N841-T858 PolarHBondContact OD1-OG1 2.9Å
842	L	84	Confident	87.3	Confident	68 Å²	68	74.2 Å²	74.2	36%	0.356	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.5	-175.4	-55.7	176	0	0	0	109.7	R844 Y859	L842-R844 PolarHBondContact O-N 3.41Å; L842-Y859 WeakPolarHBondContact CB-O 3.28Å; L842-Y859 HydrophobicContact CD1-CD1 4.17Å; L842-Y859 PolarHBondContact N-O 3.34Å; L842-Y859 PolarHBondContact O-N 3.26Å
843	R	91.6	Very high	87.2	Confident	175 Å²	175	74.7 Å²	74.7	66%	0.66	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	120.2	170.7	-171.7	178.8	-177.8	-149.7	1.8	109.6
844	R	93.2	Very high	87.1	Confident	62 Å²	62	70 Å²	70	23%	0.234	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	169.4	176.3	-64.1	-65.5	-179.6	84.8	-2.1	109.7	L842 S856 F857 Y859 N868 F869	L842-R844 PolarHBondContact O-N 3.41Å; R844-S856 CarbonylContact O-C 3.53Å; R844-S856 WeakPolarHBondContact O-CA 3.4Å; R844-F857 HydrophobicContact CB-CD1 4.04Å; R844-F857 HydrophobicContact CB-CE1 3.49Å; R844-F857 VanDerWaalsContact CB-CE1 3.49Å; R844-F857 HydrophobicContact CB-CZ 3.89Å; R844-F857 PolarHBondContact N-O 3.49Å; R844-F857 PolarHBondContact O-N 3.21Å; R844-Y859 VanDerWaalsContact CG-CB 3.47Å; R844-Y859 HydrophobicContact CG-CD1 4.16Å; R844-Y859 HydrophobicContact CG-CG 4.13Å; R844-N868 VanDerWaalsContact CB-OD1 3.3Å; R844-N868 WeakPolarHBondContact CB-OD1 3.11Å; R844-N868 VanDerWaalsContact CD-OD1 3.3Å; R844-N868 WeakPolarHBondContact CD-OD1 3.28Å; R844-N868 WeakPolarHBondContact CG-OD1 3.44Å; R844-N868 PolarHBondContact NH1-OD1 2.97Å; R844-F869 CarbonylContact C-O 3.56Å; R844-F869 WeakPolarHBondContact CA-O 3.28Å
845	F	94.5	Very high	87.3	Confident	29 Å²	29	74.7 Å²	74.7	13%	0.127	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.7	177.5	-66.3	-97.8	0	0	0	109.9	R855 N868 F869 A872 C875	F845-R855 CarbonylContact C-O 3.59Å; F845-R855 VanDerWaalsContact CA-O 3.27Å; F845-R855 WeakPolarHBondContact CA-O 3.45Å; F845-N868 CarbonylContact O-C 3.48Å; F845-N868 WeakPolarHBondContact O-CA 3.18Å; F845-F869 HydrophobicContact CB-CB 4.31Å; F845-F869 PolarHBondContact N-O 3.13Å; F845-F869 WeakPolarHBondContact O-CD2 3.11Å; F845-F869 PolarHBondContact O-N 2.03Å; F845-A872 HydrophobicContact CD1-CB 3.76Å; F845-A872 VanDerWaalsContact CD2-N 3.32Å; F845-A872 HydrophobicContact CE1-CB 3.67Å; F845-A872 HydrophobicContact CG-CB 4.29Å; F845-A872 HydrophobicContact CZ-CB 4.13Å; F845-C875 HydrophobicContact CB-CB 4.17Å
846	F	94.2	Very high	87.5	Confident	20 Å²	20	73.3 Å²	73.3	9%	0.088	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.8	171	76.8	-80.3	0	0	0	108.6	Y833 D848 C854 R855 F857 N867	Y833-F846 VanDerWaalsContact CB-CG 3.49Å; Y833-F846 HydrophobicContact CD1-CD2 4.48Å; Y833-F846 HydrophobicContact CD1-CE1 4.07Å; Y833-F846 AromaticContact CD1-CE2 3.96Å; Y833-F846 HydrophobicContact CD1-CE2 3.96Å; Y833-F846 AromaticContact CD1-CZ 3.73Å; Y833-F846 HydrophobicContact CD1-CZ 3.73Å; Y833-F846 HydrophobicContact CG-CD1 4.29Å; Y833-F846 HydrophobicContact CG-CE1 4.16Å; Y833-F846 HydrophobicContact CG-CE2 4.44Å; Y833-F846 HydrophobicContact CG-CG 4.48Å; Y833-F846 HydrophobicContact CG-CZ 4.24Å; F846-D848 HydrophobicContact CD2-CB 4.32Å; F846-D848 HydrophobicContact CE2-CB 3.64Å; F846-D848 HydrophobicContact CZ-CB 4.1Å; F846-D848 PolarHBondContact O-N 3.38Å; F846-C854 CarbonylContact O-C 3.54Å; F846-C854 VanDerWaalsContact O-CA 3.3Å; F846-C854 WeakPolarHBondContact O-CA 3.39Å; F846-R855 HydrophobicContact CD1-CB 4.29Å; F846-R855 VanDerWaalsContact CD1-O 3.24Å; F846-R855 WeakPolarHBondContact CD1-O 3.48Å; F846-R855 HydrophobicContact CE1-CB 3.7Å; F846-R855 HydrophobicContact CZ-CB 4.06Å; F846-R855 PolarHBondContact N-O 3.11Å; F846-R855 PolarHBondContact O-N 3.35Å; F846-F857 HydrophobicContact CB-CD1 4.1Å; F846-F857 HydrophobicContact CB-CE1 4.03Å; F846-F857 HydrophobicContact CD1-CB 4.09Å; F846-F857 AromaticContact CD1-CD1 3.7Å; F846-F857 HydrophobicContact CD1-CD1 3.7Å; F846-F857 HydrophobicContact CD1-CE1 4.47Å; F846-F857 HydrophobicContact CD1-CG 4.13Å; F846-F857 HydrophobicContact CE1-CB 4.24Å; F846-F857 HydrophobicContact CG-CD1 4.34Å; F846-N867 WeakPolarHBondContact CA-OD1 3.42Å; F846-N867 WeakPolarHBondContact CB-O 3.29Å
847	F	93.5	Very high	88	Confident	1 Å²	1	73.2 Å²	73.2	0%	0.004	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.8	170.8	-168.7	-95	0	0	0	108.9	C829 F849 K852 N867 C875 C879 I883	C829-F847 HydrophobicContact CB-CB 4.22Å; C829-F847 HydrophobicContact CB-CD1 3.91Å; C829-F847 HydrophobicContact CB-CG 4.2Å; C829-F847 WeakPolarHBondContact O-CD1 3.36Å; F847-F849 HydrophobicContact CE1-CD2 4.18Å; F847-F849 PolarHBondContact O-N 3.34Å; F847-K852 HydrophobicContact CE1-CD 4.44Å; F847-K852 HydrophobicContact CZ-CB 4.29Å; F847-K852 HydrophobicContact CZ-CD 4.32Å; F847-N867 PolarHBondContact N-OD1 2.8Å; F847-N867 PolarHBondContact O-ND2 2.82Å; F847-C875 PolarHBondContact N-SG 3.19Å; F847-C879 HydrophobicContact CB-CB 3.76Å; F847-C879 VanDerWaalsContact CB-SG 3.56Å; F847-C879 HydrophobicContact CD1-CB 4.16Å; F847-C879 HydrophobicContact CD2-CB 3.38Å; F847-C879 HydrophobicContact CE2-CB 4.05Å; F847-C879 HydrophobicContact CG-CB 3.47Å; F847-C879 VanDerWaalsContact CG-CB 3.47Å; F847-I883 HydrophobicContact CD1-CD1 4.38Å; F847-I883 HydrophobicContact CE1-CD1 3.27Å; F847-I883 HydrophobicContact CE2-CD1 4.06Å; F847-I883 HydrophobicContact CZ-CD1 3.09Å; F847-I883 HydrophobicContact CZ-CG1 4.49Å
848	D	92.1	Very high	88.4	Confident	15 Å²	15	71.7 Å²	71.7	8%	0.08	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	105.7	172	-178.8	-20.6	0	0	0	108	F846 E850 T851 K852 Q853 R855	F846-D848 HydrophobicContact CD2-CB 4.32Å; F846-D848 HydrophobicContact CE2-CB 3.64Å; F846-D848 HydrophobicContact CZ-CB 4.1Å; F846-D848 PolarHBondContact O-N 3.38Å; D848-E850 PolarHBondContact O-N 2.02Å; D848-E850 WeakPolarHBondContact OD1-CB 3.44Å; D848-E850 PolarHBondContact OD1-N 2.86Å; D848-T851 VanDerWaalsContact CB-OG1 3.24Å; D848-T851 WeakPolarHBondContact CB-OG1 3.02Å; D848-T851 PolarHBondContact O-N 3.2Å; D848-T851 PolarHBondContact OD1-N 2.83Å; D848-T851 VanDerWaalsContact OD1-N 3.07Å; D848-T851 PolarHBondContact OD1-OG1 2.99Å; D848-T851 WeakPolarHBondContact OD2-CG2 3.23Å; D848-T851 PolarHBondContact OD2-OG1 3.3Å; D848-K852 VanDerWaalsContact O-CA 3.28Å; D848-K852 WeakPolarHBondContact O-CA 3.39Å; D848-K852 PolarHBondContact O-N 3.27Å; D848-Q853 WeakPolarHBondContact CB-O 3.43Å; D848-Q853 PolarHBondContact N-O 3.17Å; D848-Q853 PolarHBondContact O-N 2.83Å; D848-R855 HydrophobicContact CB-CG 4.2Å; D848-R855 WeakPolarHBondContact OD2-CD 3.44Å; D848-R855 IonicContact OD2-CZ 3.42Å; D848-R855 IonicContact OD2-NE 3.87Å; D848-R855 IonicContact OD2-NH1 3.5Å; D848-R855 PolarHBondContact OD2-NH1 3.09Å
849	F	86.8	Confident	88.8	Confident	76 Å²	76	69.7 Å²	69.7	33%	0.333	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.3	-176.2	-170.4	-96.5	0	0	0	113.1	R830 F847 K852	R830-F849 HydrophobicContact CG-CD2 3.68Å; R830-F849 HydrophobicContact CG-CE2 3.77Å; R830-F849 HydrophobicContact CG-CG 4.12Å; R830-F849 HydrophobicContact CG-CZ 4.28Å; F847-F849 HydrophobicContact CE1-CD2 4.18Å; F847-F849 PolarHBondContact O-N 3.34Å; F849-K852 VanDerWaalsContact CZ-NZ 3.31Å; F849-K852 WeakPolarHBondContact O-CD 3.31Å; F849-K852 WeakPolarHBondContact O-CE 3.47Å; F849-K852 PolarHBondContact O-NZ 2.76Å
850	E	85.3	Confident	88.9	Confident	180 Å²	180	64.6 Å²	64.6	84%	0.841	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-48.7	177.9	-64.2	179.4	178.6	0	0	110	D848	D848-E850 PolarHBondContact O-N 2.02Å; D848-E850 WeakPolarHBondContact OD1-CB 3.44Å; D848-E850 PolarHBondContact OD1-N 2.86Å
851	T	87.9	Confident	89.1	Confident	57 Å²	57	63.3 Å²	63.3	35%	0.35	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.4	-178.3	64.5	0	0	0	0	114	D848 Q853	D848-T851 VanDerWaalsContact CB-OG1 3.24Å; D848-T851 WeakPolarHBondContact CB-OG1 3.02Å; D848-T851 PolarHBondContact O-N 3.2Å; D848-T851 PolarHBondContact OD1-N 2.83Å; D848-T851 VanDerWaalsContact OD1-N 3.07Å; D848-T851 PolarHBondContact OD1-OG1 2.99Å; D848-T851 WeakPolarHBondContact OD2-CG2 3.23Å; D848-T851 PolarHBondContact OD2-OG1 3.3Å; T851-Q853 WeakPolarHBondContact O-CG 2.86Å; T851-Q853 PolarHBondContact O-N 3.43Å
852	K	86	Confident	88.7	Confident	64 Å²	64	58.5 Å²	58.5	28%	0.278	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	25.8	-173	-52.5	-59.4	-176.5	-156.4	0	113.6	F847 D848 F849 I883 Y884	F847-K852 HydrophobicContact CE1-CD 4.44Å; F847-K852 HydrophobicContact CZ-CB 4.29Å; F847-K852 HydrophobicContact CZ-CD 4.32Å; D848-K852 VanDerWaalsContact O-CA 3.28Å; D848-K852 WeakPolarHBondContact O-CA 3.39Å; D848-K852 PolarHBondContact O-N 3.27Å; F849-K852 VanDerWaalsContact CZ-NZ 3.31Å; F849-K852 WeakPolarHBondContact O-CD 3.31Å; F849-K852 WeakPolarHBondContact O-CE 3.47Å; F849-K852 PolarHBondContact O-NZ 2.76Å; K852-I883 HydrophobicContact CD-CD1 4.32Å; K852-I883 HydrophobicContact CD-CG2 4.01Å; K852-I883 HydrophobicContact CG-CG2 4.43Å; K852-Y884 WeakPolarHBondContact CB-OH 3.39Å; K852-Y884 PolarHBondContact O-OH 2.73Å
853	Q	86.8	Confident	88.3	Confident	103 Å²	103	59.6 Å²	59.6	48%	0.481	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.4	-176	-69.9	176.5	12.3	0	0	111.9	D848 T851 R855	D848-Q853 WeakPolarHBondContact CB-O 3.43Å; D848-Q853 PolarHBondContact N-O 3.17Å; D848-Q853 PolarHBondContact O-N 2.83Å; T851-Q853 WeakPolarHBondContact O-CG 2.86Å; T851-Q853 PolarHBondContact O-N 3.43Å; Q853-R855 HydrophobicContact CB-CG 4.21Å; Q853-R855 PolarHBondContact O-N 2.66Å
854	C	90.8	Very high	87.7	Confident	14 Å²	14	51.7 Å²	51.7	10%	0.095	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	105.3	166.9	-72.7	0	0	0	0	109.5	F846 C875 Y876	F846-C854 CarbonylContact O-C 3.54Å; F846-C854 VanDerWaalsContact O-CA 3.3Å; F846-C854 WeakPolarHBondContact O-CA 3.39Å; C854-C875 HydrophobicContact CB-CB 3.72Å; C854-C875 WeakPolarHBondContact CB-SG 3.33Å; C854-C875 WeakPolarHBondContact SG-CB 3.26Å; C854-C875 CovalentContact SG-SG 2.03Å; C854-C875 PolarHBondContact SG-SG 3.5Å; C854-Y876 HydrophobicContact CB-CD1 4.47Å; C854-Y876 HydrophobicContact CB-CD2 3.88Å; C854-Y876 HydrophobicContact CB-CE1 4.23Å; C854-Y876 HydrophobicContact CB-CE2 3.61Å; C854-Y876 HydrophobicContact CB-CG 4.28Å; C854-Y876 PolarHBondContact N-OH 2.91Å; C854-Y876 PolarHBondContact SG-N 2.88Å; C854-Y876 VanDerWaalsContact SG-N 3.38Å
855	R	92.7	Very high	87.3	Confident	123 Å²	123	49.9 Å²	49.9	46%	0.464	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	147.3	-177.8	-62.2	177	79.2	-178.5	4.6	110.1	F845 F846 D848 Q853	F845-R855 CarbonylContact C-O 3.59Å; F845-R855 VanDerWaalsContact CA-O 3.27Å; F845-R855 WeakPolarHBondContact CA-O 3.45Å; F846-R855 HydrophobicContact CD1-CB 4.29Å; F846-R855 VanDerWaalsContact CD1-O 3.24Å; F846-R855 WeakPolarHBondContact CD1-O 3.48Å; F846-R855 HydrophobicContact CE1-CB 3.7Å; F846-R855 HydrophobicContact CZ-CB 4.06Å; F846-R855 PolarHBondContact N-O 3.11Å; F846-R855 PolarHBondContact O-N 3.35Å; D848-R855 HydrophobicContact CB-CG 4.2Å; D848-R855 WeakPolarHBondContact OD2-CD 3.44Å; D848-R855 IonicContact OD2-CZ 3.42Å; D848-R855 IonicContact OD2-NE 3.87Å; D848-R855 IonicContact OD2-NH1 3.5Å; D848-R855 PolarHBondContact OD2-NH1 3.09Å; Q853-R855 HydrophobicContact CB-CG 4.21Å; Q853-R855 PolarHBondContact O-N 2.66Å
856	S	92.2	Very high	87	Confident	62 Å²	62	49.3 Å²	49.3	43%	0.434	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	146.1	175	60	0	0	0	0	111.8	R844	R844-S856 CarbonylContact O-C 3.53Å; R844-S856 WeakPolarHBondContact O-CA 3.4Å
857	F	93.8	Very high	86.9	Confident	18 Å²	18	48.3 Å²	48.3	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	163.7	172.8	77.5	-71.5	0	0	0	110.7	Y833 A834 M835 R844 F846 Y859 N868	Y833-F857 HydrophobicContact CD2-CB 4.2Å; Y833-F857 AromaticContact CD2-CD2 3.76Å; Y833-F857 HydrophobicContact CD2-CD2 3.76Å; Y833-F857 HydrophobicContact CD2-CE2 4.45Å; Y833-F857 HydrophobicContact CD2-CG 4.16Å; Y833-F857 HydrophobicContact CG-CD2 4.38Å; Y833-F857 HydrophobicContact CG-CG 4.46Å; A834-F857 WeakPolarHBondContact O-CE2 3.47Å; M835-F857 HydrophobicContact CG-CD2 4.42Å; R844-F857 HydrophobicContact CB-CD1 4.04Å; R844-F857 HydrophobicContact CB-CE1 3.49Å; R844-F857 VanDerWaalsContact CB-CE1 3.49Å; R844-F857 HydrophobicContact CB-CZ 3.89Å; R844-F857 PolarHBondContact N-O 3.49Å; R844-F857 PolarHBondContact O-N 3.21Å; F846-F857 HydrophobicContact CB-CD1 4.1Å; F846-F857 HydrophobicContact CB-CE1 4.03Å; F846-F857 HydrophobicContact CD1-CB 4.09Å; F846-F857 AromaticContact CD1-CD1 3.7Å; F846-F857 HydrophobicContact CD1-CD1 3.7Å; F846-F857 HydrophobicContact CD1-CE1 4.47Å; F846-F857 HydrophobicContact CD1-CG 4.13Å; F846-F857 HydrophobicContact CE1-CB 4.24Å; F846-F857 HydrophobicContact CG-CD1 4.34Å; F857-Y859 HydrophobicContact CE2-CD2 4.37Å; F857-N868 HydrophobicContact CZ-CB 4.11Å
858	T	91.5	Very high	86.8	Confident	62 Å²	62	49.6 Å²	49.6	38%	0.38	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	116.4	172.9	-65	0	0	0	0	110	M835 N841	M835-T858 WeakPolarHBondContact CB-O 3.43Å; M835-T858 WeakPolarHBondContact CG-O 3.04Å; N841-T858 WeakPolarHBondContact OD1-CG2 3.45Å; N841-T858 PolarHBondContact OD1-OG1 2.9Å
859	Y	89.6	Confident	86.8	Confident	14 Å²	14	50 Å²	50	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.7	170.4	179.4	-121.4	0	0	0	109.9	K812 M835 L842 R844 F857 G861 C862 E863 N868	K812-Y859 PolarHBondContact NZ-OH 3.17Å; M835-Y859 WeakPolarHBondContact O-CD2 3.39Å; L842-Y859 WeakPolarHBondContact CB-O 3.28Å; L842-Y859 HydrophobicContact CD1-CD1 4.17Å; L842-Y859 PolarHBondContact N-O 3.34Å; L842-Y859 PolarHBondContact O-N 3.26Å; R844-Y859 VanDerWaalsContact CG-CB 3.47Å; R844-Y859 HydrophobicContact CG-CD1 4.16Å; R844-Y859 HydrophobicContact CG-CG 4.13Å; F857-Y859 HydrophobicContact CE2-CD2 4.37Å; Y859-G861 PolarHBondContact O-N 3.32Å; Y859-C862 WeakPolarHBondContact CE2-O 2.92Å; Y859-C862 WeakPolarHBondContact OH-CA 3.39Å; Y859-C862 PolarHBondContact OH-O 2.7Å; Y859-E863 PolarHBondContact OH-O 3.35Å; Y859-N868 WeakPolarHBondContact CD2-ND2 3.42Å; Y859-N868 VanDerWaalsContact CE2-ND2 3.34Å; Y859-N868 WeakPolarHBondContact CE2-ND2 3.38Å
860	T	85.3	Confident	86.8	Confident	21 Å²	21	52.9 Å²	52.9	13%	0.129	28%	0.28	C	S	.	.			trans	-83.7	0.6	-171.9	64.9	0	0	0	0	114.5	M835 G836 S837 C838 S839 S840	M835-T860 HydrophobicContact CB-CG2 4.45Å; M835-T860 PolarHBondContact O-N 2.98Å; M835-T860 PolarHBondContact O-OG1 2.83Å; G836-T860 WeakPolarHBondContact O-CG2 3.39Å; G836-T860 PolarHBondContact O-OG1 3.38Å; S837-T860 PolarHBondContact N-OG1 3.49Å; C838-T860 VanDerWaalsContact C-CB 3.43Å; C838-T860 CarbonylContact C-O 3.53Å; C838-T860 WeakPolarHBondContact CB-O 3.24Å; C838-T860 PolarHBondContact N-OG1 2.77Å; C838-T860 WeakPolarHBondContact O-CB 2.93Å; S839-T860 PolarHBondContact N-O 3Å; S840-T860 WeakPolarHBondContact CA-O 3.3Å; S840-T860 WeakPolarHBondContact CB-O 3.38Å; S840-T860 PolarHBondContact N-O 3.49Å; S840-T860 VanDerWaalsContact O-CA 3.26Å; S840-T860 WeakPolarHBondContact O-CA 3.4Å; S840-T860 PolarHBondContact OG-O 3.38Å
861	G	75.5	Confident	86.9	Confident	33 Å²	33	46.2 Å²	46.2	34%	0.34	25%	0.253	S	S	.	.	S	Bend	trans	96.5	-5.7	173.1	0	0	0	0	0	114.9	Y859	Y859-G861 PolarHBondContact O-N 3.32Å
862	C	74.8	Confident	86.7	Confident	32 Å²	32	44 Å²	44	22%	0.216	24%	0.24	C	C	.	.	S	Bend	trans	-142.1	175.5	170.5	72.8	0	0	0	0	112	G836 C838 Y859 G864	G836-C862 WeakPolarHBondContact CA-O 3.36Å; C838-C862 HydrophobicContact CB-CB 3.83Å; C838-C862 WeakPolarHBondContact CB-SG 3.03Å; C838-C862 PolarHBondContact N-SG 2.86Å; C838-C862 VanDerWaalsContact N-SG 3.4Å; C838-C862 WeakPolarHBondContact SG-CB 3.32Å; C838-C862 CovalentContact SG-SG 2Å; C838-C862 PolarHBondContact SG-SG 2.62Å; Y859-C862 WeakPolarHBondContact CE2-O 2.92Å; Y859-C862 WeakPolarHBondContact OH-CA 3.39Å; Y859-C862 PolarHBondContact OH-O 2.7Å; C862-G864 PolarHBondContact O-N 3.49Å
863	E	77.2	Confident	86.5	Confident	90 Å²	90	47.3 Å²	47.3	42%	0.421	25%	0.252	S	S	.	.	S	Bend	trans	52.9	-133.8	-172.7	-55.3	177.3	161.7	0	0	111	K812 S837 Y859	K812-E863 PolarHBondContact NZ-O 3.14Å; S837-E863 VanDerWaalsContact CB-OE2 3.27Å; S837-E863 WeakPolarHBondContact CB-OE2 3.35Å; S837-E863 PolarHBondContact N-OE2 2.03Å; S837-E863 PolarHBondContact OG-OE1 3.49Å; S837-E863 PolarHBondContact OG-OE2 3.22Å; Y859-E863 PolarHBondContact OH-O 3.35Å
864	G	78	Confident	86.5	Confident	10 Å²	10	43.6 Å²	43.6	10%	0.103	24%	0.239	C	C	.	.			trans	83.5	-172.8	-176.8	0	0	0	0	0	112.7	V793 C862	V793-G864 WeakPolarHBondContact CG2-O 3.29Å; C862-G864 PolarHBondContact O-N 3.49Å
865	N	84.4	Confident	86.5	Confident	24 Å²	24	43 Å²	43	13%	0.128	24%	0.235	C	C	.	.			trans	-135.1	-176	171	63.8	35.6	0	0	0	109.4	L831 P832 A834 N867 N868	L831-N865 HydrophobicContact CD1-CB 4.1Å; P832-N865 PolarHBondContact O-ND2 2.75Å; P832-N865 PolarHBondContact O-OD1 3.41Å; A834-N865 HydrophobicContact CB-CB 4.46Å; N865-N867 PolarHBondContact O-N 3.43Å; N865-N867 WeakPolarHBondContact OD1-CB 3.35Å; N865-N867 PolarHBondContact OD1-N 3.07Å; N865-N868 WeakPolarHBondContact O-CB 3.48Å
866	A	88.3	Confident	86.2	Confident	16 Å²	16	38.6 Å²	38.6	13%	0.132	22%	0.219	C	C	.	.	S	Bend	trans	-64.7	-19.4	-175.7	0	0	0	0	0	114.4	V820 I828 L831 N868	V820-A866 HydrophobicContact CG1-CB 3.48Å; V820-A866 VanDerWaalsContact CG1-CB 3.48Å; I828-A866 HydrophobicContact CB-CB 4.19Å; I828-A866 HydrophobicContact CD1-CB 4.14Å; I828-A866 HydrophobicContact CG1-CB 3.74Å; I828-A866 HydrophobicContact CG2-CB 3.75Å; I828-A866 WeakPolarHBondContact CG2-O 3.49Å; L831-A866 HydrophobicContact CD1-CB 4.09Å; A866-N868 PolarHBondContact O-N 3Å
867	N	91.7	Very high	85.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.			trans	-81.9	59.1	178.7	-160.8	3.8	0	0	0	110.7	I828 L831 F846 F847 N865 F869	I828-N867 WeakPolarHBondContact O-CB 3.01Å; L831-N867 HydrophobicContact CB-CB 4.03Å; L831-N867 PolarHBondContact O-ND2 2.92Å; F846-N867 WeakPolarHBondContact CA-OD1 3.42Å; F846-N867 WeakPolarHBondContact CB-O 3.29Å; F847-N867 PolarHBondContact N-OD1 2.8Å; F847-N867 PolarHBondContact O-ND2 2.82Å; N865-N867 PolarHBondContact O-N 3.43Å; N865-N867 WeakPolarHBondContact OD1-CB 3.35Å; N865-N867 PolarHBondContact OD1-N 3.07Å; N867-F869 VanDerWaalsContact OD1-CE2 3.27Å; N867-F869 WeakPolarHBondContact OD1-CE2 3.33Å
868	N	91.8	Very high	85.6	Confident	28 Å²	28	44.1 Å²	44.1	15%	0.15	24%	0.236	C	C	.	.			trans	-148.1	99.3	-173.5	-179.4	-22.4	0	0	0	108.9	R844 F845 F857 Y859 N865 A866	R844-N868 VanDerWaalsContact CB-OD1 3.3Å; R844-N868 WeakPolarHBondContact CB-OD1 3.11Å; R844-N868 VanDerWaalsContact CD-OD1 3.3Å; R844-N868 WeakPolarHBondContact CD-OD1 3.28Å; R844-N868 WeakPolarHBondContact CG-OD1 3.44Å; R844-N868 PolarHBondContact NH1-OD1 2.97Å; F845-N868 CarbonylContact O-C 3.48Å; F845-N868 WeakPolarHBondContact O-CA 3.18Å; F857-N868 HydrophobicContact CZ-CB 4.11Å; Y859-N868 WeakPolarHBondContact CD2-ND2 3.42Å; Y859-N868 VanDerWaalsContact CE2-ND2 3.34Å; Y859-N868 WeakPolarHBondContact CE2-ND2 3.38Å; N865-N868 WeakPolarHBondContact O-CB 3.48Å; A866-N868 PolarHBondContact O-N 3Å
869	F	92.1	Very high	85.5	Confident	24 Å²	24	41.3 Å²	41.3	11%	0.105	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-111.4	144.3	-174.2	-55.8	-81.4	0	0	0	110.9	I828 R844 F845 N867 S871 A874 C875 K878	I828-F869 HydrophobicContact CG2-CZ 4.05Å; R844-F869 CarbonylContact C-O 3.56Å; R844-F869 WeakPolarHBondContact CA-O 3.28Å; F845-F869 HydrophobicContact CB-CB 4.31Å; F845-F869 PolarHBondContact N-O 3.13Å; F845-F869 WeakPolarHBondContact O-CD2 3.11Å; F845-F869 PolarHBondContact O-N 2.03Å; N867-F869 VanDerWaalsContact OD1-CE2 3.27Å; N867-F869 WeakPolarHBondContact OD1-CE2 3.33Å; F869-S871 VanDerWaalsContact C-N 3.26Å; F869-S871 PolarHBondContact O-N 3.1Å; F869-A874 HydrophobicContact CB-CB 4.33Å; F869-C875 HydrophobicContact CB-CB 3.78Å; F869-C875 HydrophobicContact CD1-CB 4.4Å; F869-C875 HydrophobicContact CD2-CB 3.34Å; F869-C875 HydrophobicContact CE2-CB 3.96Å; F869-C875 VanDerWaalsContact CG-CA 3.43Å; F869-C875 HydrophobicContact CG-CB 3.59Å; F869-K878 HydrophobicContact CE1-CB 3.73Å; F869-K878 HydrophobicContact CE1-CG 3.96Å; F869-K878 HydrophobicContact CZ-CB 4.09Å; F869-K878 HydrophobicContact CZ-CG 4.23Å
870	I	87	Confident	84.8	Confident	135 Å²	135	40.7 Å²	40.7	69%	0.692	22%	0.217	S	C	*	.	S	Bend	trans	-71.4	-20.8	-180	-164.1	166.9	0	0	0	113
871	S	86.7	Confident	83.9	Confident	41 Å²	41	45.1 Å²	45.1	29%	0.287	23%	0.234	S	C	.	.	S	Bend	trans	-146.2	157.9	178.9	71.8	0	0	0	0	111.7	F869 Y873 A874 C875	F869-S871 VanDerWaalsContact C-N 3.26Å; F869-S871 PolarHBondContact O-N 3.1Å; S871-Y873 PolarHBondContact O-N 2.78Å; S871-A874 PolarHBondContact O-N 2.94Å; S871-A874 WeakPolarHBondContact OG-CB 3.48Å; S871-A874 PolarHBondContact OG-N 2.61Å; S871-C875 PolarHBondContact O-N 3.47Å
872	A	84.4	Confident	83.3	Confident	9 Å²	9	52.6 Å²	52.6	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-56.6	-40.8	171.5	0	0	0	0	0	111	F845 C875 Y876 W896	F845-A872 HydrophobicContact CD1-CB 3.76Å; F845-A872 VanDerWaalsContact CD2-N 3.32Å; F845-A872 HydrophobicContact CE1-CB 3.67Å; F845-A872 HydrophobicContact CG-CB 4.29Å; F845-A872 HydrophobicContact CZ-CB 4.13Å; A872-C875 WeakPolarHBondContact O-CB 3.3Å; A872-C875 PolarHBondContact O-N 2.8Å; A872-Y876 HydrophobicContact CB-CD2 4.49Å; A872-Y876 VanDerWaalsContact O-CB 3.29Å; A872-Y876 WeakPolarHBondContact O-CB 3.46Å; A872-Y876 VanDerWaalsContact O-CD2 3.29Å; A872-Y876 WeakPolarHBondContact O-CD2 3.37Å; A872-Y876 PolarHBondContact O-N 3.33Å; A872-W896 HydrophobicContact CB-CH2 4.3Å; A872-W896 HydrophobicContact CB-CZ2 3.93Å
873	Y	81.1	Confident	82.6	Confident	134 Å²	134	53.8 Å²	53.8	53%	0.525	26%	0.256	S	S	.	.	H	α-helix	trans	-58.7	-49.1	177.4	178.8	-90.1	0	0	0	112.2	S871 C875 Y876 E877	S871-Y873 PolarHBondContact O-N 2.78Å; Y873-C875 VanDerWaalsContact C-N 3.3Å; Y873-C875 PolarHBondContact O-N 3.36Å; Y873-Y876 CarbonylContact O-C 3.49Å; Y873-Y876 PolarHBondContact O-N 2.77Å; Y873-Y876 VanDerWaalsContact O-N 3.13Å; Y873-E877 HydrophobicContact CE1-CB 4.42Å; Y873-E877 WeakPolarHBondContact O-CB 3.36Å; Y873-E877 PolarHBondContact O-N 2.79Å
874	A	87.6	Confident	81.7	Confident	26 Å²	26	51.7 Å²	51.7	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-37.5	179.4	0	0	0	0	0	112.3	F869 S871 K878	F869-A874 HydrophobicContact CB-CB 4.33Å; S871-A874 PolarHBondContact O-N 2.94Å; S871-A874 WeakPolarHBondContact OG-CB 3.48Å; S871-A874 PolarHBondContact OG-N 2.61Å; A874-K878 WeakPolarHBondContact O-CB 3.42Å; A874-K878 PolarHBondContact O-N 3.15Å; A874-K878 VanDerWaalsContact O-N 3.16Å
875	C	90.6	Very high	80.7	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-47.7	172.7	172.7	0	0	0	0	111.3	F845 F847 C854 F869 S871 A872 Y873 K878 C879	F845-C875 HydrophobicContact CB-CB 4.17Å; F847-C875 PolarHBondContact N-SG 3.19Å; C854-C875 HydrophobicContact CB-CB 3.72Å; C854-C875 WeakPolarHBondContact CB-SG 3.33Å; C854-C875 WeakPolarHBondContact SG-CB 3.26Å; C854-C875 CovalentContact SG-SG 2.03Å; C854-C875 PolarHBondContact SG-SG 3.5Å; F869-C875 HydrophobicContact CB-CB 3.78Å; F869-C875 HydrophobicContact CD1-CB 4.4Å; F869-C875 HydrophobicContact CD2-CB 3.34Å; F869-C875 HydrophobicContact CE2-CB 3.96Å; F869-C875 VanDerWaalsContact CG-CA 3.43Å; F869-C875 HydrophobicContact CG-CB 3.59Å; S871-C875 PolarHBondContact O-N 3.47Å; A872-C875 WeakPolarHBondContact O-CB 3.3Å; A872-C875 PolarHBondContact O-N 2.8Å; Y873-C875 VanDerWaalsContact C-N 3.3Å; Y873-C875 PolarHBondContact O-N 3.36Å; C875-K878 PolarHBondContact O-N 3.22Å; C875-C879 VanDerWaalsContact O-CB 3.23Å; C875-C879 WeakPolarHBondContact O-CB 3.17Å; C875-C879 PolarHBondContact O-N 3.25Å
876	Y	87.8	Confident	79.3	Confident	32 Å²	32	58.2 Å²	58.2	13%	0.125	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-43.2	-179.3	-94.7	-45.6	0	0	0	111.9	C854 A872 Y873 K878 G880 W889	C854-Y876 HydrophobicContact CB-CD1 4.47Å; C854-Y876 HydrophobicContact CB-CD2 3.88Å; C854-Y876 HydrophobicContact CB-CE1 4.23Å; C854-Y876 HydrophobicContact CB-CE2 3.61Å; C854-Y876 HydrophobicContact CB-CG 4.28Å; C854-Y876 PolarHBondContact N-OH 2.91Å; C854-Y876 PolarHBondContact SG-N 2.88Å; C854-Y876 VanDerWaalsContact SG-N 3.38Å; A872-Y876 HydrophobicContact CB-CD2 4.49Å; A872-Y876 VanDerWaalsContact O-CB 3.29Å; A872-Y876 WeakPolarHBondContact O-CB 3.46Å; A872-Y876 VanDerWaalsContact O-CD2 3.29Å; A872-Y876 WeakPolarHBondContact O-CD2 3.37Å; A872-Y876 PolarHBondContact O-N 3.33Å; Y873-Y876 CarbonylContact O-C 3.49Å; Y873-Y876 PolarHBondContact O-N 2.77Å; Y873-Y876 VanDerWaalsContact O-N 3.13Å; Y876-K878 VanDerWaalsContact C-N 3.33Å; Y876-K878 PolarHBondContact O-N 2.83Å; Y876-G880 WeakPolarHBondContact O-CA 3.4Å; Y876-G880 PolarHBondContact O-N 2.7Å; Y876-W889 VanDerWaalsContact CB-CH2 3.49Å; Y876-W889 AromaticContact CD1-CH2 3.86Å; Y876-W889 HydrophobicContact CD1-CH2 3.86Å; Y876-W889 AromaticContact CD1-CZ3 3.86Å; Y876-W889 HydrophobicContact CD1-CZ3 3.86Å; Y876-W889 AromaticContact CG-CH2 3.98Å; Y876-W889 HydrophobicContact CG-CH2 3.98Å; Y876-W889 HydrophobicContact CG-CZ3 4.41Å; Y876-W889 WeakPolarHBondContact O-CH2 2.99Å; Y876-W889 WeakPolarHBondContact O-CZ2 2.95Å
877	E	84.8	Confident	77.6	Confident	98 Å²	98	63.5 Å²	63.5	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-43.1	176.5	-166.1	-162.2	162.3	0	0	111.9	Y873	Y873-E877 HydrophobicContact CE1-CB 4.42Å; Y873-E877 WeakPolarHBondContact O-CB 3.36Å; Y873-E877 PolarHBondContact O-N 2.79Å
878	K	87.5	Confident	75.9	Confident	98 Å²	98	69.1 Å²	69.1	43%	0.426	34%	0.342	S	S	.	.	H	α-helix	trans	-76.8	-40.3	-179.3	-165.8	73.2	173.1	-172.5	0	112.8	A825 F869 A874 C875 Y876	A825-K878 VanDerWaalsContact CB-O 3.27Å; A825-K878 WeakPolarHBondContact CB-O 3.19Å; F869-K878 HydrophobicContact CE1-CB 3.73Å; F869-K878 HydrophobicContact CE1-CG 3.96Å; F869-K878 HydrophobicContact CZ-CB 4.09Å; F869-K878 HydrophobicContact CZ-CG 4.23Å; A874-K878 WeakPolarHBondContact O-CB 3.42Å; A874-K878 PolarHBondContact O-N 3.15Å; A874-K878 VanDerWaalsContact O-N 3.16Å; C875-K878 PolarHBondContact O-N 3.22Å; Y876-K878 VanDerWaalsContact C-N 3.33Å; Y876-K878 PolarHBondContact O-N 2.83Å
879	C	89.8	Confident	74.3	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.02	34%	0.339	C	S	.	.	H	α-helix	trans	-107.1	-22.9	-169.5	-63.6	0	0	0	0	115.1	C829 F847 C875 I883	C829-C879 HydrophobicContact CB-CB 3.65Å; C829-C879 WeakPolarHBondContact CB-SG 3.3Å; C829-C879 WeakPolarHBondContact SG-CA 3.46Å; C829-C879 WeakPolarHBondContact SG-CB 3.48Å; C829-C879 CovalentContact SG-SG 2.02Å; C829-C879 PolarHBondContact SG-SG 3.47Å; F847-C879 HydrophobicContact CB-CB 3.76Å; F847-C879 VanDerWaalsContact CB-SG 3.56Å; F847-C879 HydrophobicContact CD1-CB 4.16Å; F847-C879 HydrophobicContact CD2-CB 3.38Å; F847-C879 HydrophobicContact CE2-CB 4.05Å; F847-C879 HydrophobicContact CG-CB 3.47Å; F847-C879 VanDerWaalsContact CG-CB 3.47Å; C875-C879 VanDerWaalsContact O-CB 3.23Å; C875-C879 WeakPolarHBondContact O-CB 3.17Å; C875-C879 PolarHBondContact O-N 3.25Å; C879-I883 WeakPolarHBondContact O-CD1 3.31Å
880	G	75.1	Confident	72.6	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-37	-170.8	0	0	0	0	0	114.8	Y876 R882 I883 Y884 W889	Y876-G880 WeakPolarHBondContact O-CA 3.4Å; Y876-G880 PolarHBondContact O-N 2.7Å; G880-R882 PolarHBondContact O-N 3.28Å; G880-R882 VanDerWaalsContact O-N 3.09Å; G880-I883 PolarHBondContact O-N 3.24Å; G880-Y884 WeakPolarHBondContact O-CD2 3Å; G880-Y884 PolarHBondContact O-N 3.36Å; G880-W889 VanDerWaalsContact CA-CZ3 3.42Å
881	K	66.5	Low	71.3	Confident	115 Å²	115	67 Å²	67	50%	0.5	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.3	-177.2	-76.7	-176.5	176.5	176.8	0	114.1
882	R	62	Low	70.2	Confident	190 Å²	190	66.9 Å²	66.9	72%	0.717	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.9	-178.2	-113.4	-178	176.6	178.2	-1.1	114.6	G880	G880-R882 PolarHBondContact O-N 3.28Å; G880-R882 VanDerWaalsContact O-N 3.09Å
883	I	61.1	Low	69	Low	57 Å²	57	69.1 Å²	69.1	29%	0.292	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-36	-171.8	-68	174.7	0	0	0	111.2	F847 K852 C879 G880	F847-I883 HydrophobicContact CD1-CD1 4.38Å; F847-I883 HydrophobicContact CE1-CD1 3.27Å; F847-I883 HydrophobicContact CE2-CD1 4.06Å; F847-I883 HydrophobicContact CZ-CD1 3.09Å; F847-I883 HydrophobicContact CZ-CG1 4.49Å; K852-I883 HydrophobicContact CD-CD1 4.32Å; K852-I883 HydrophobicContact CD-CG2 4.01Å; K852-I883 HydrophobicContact CG-CG2 4.43Å; C879-I883 WeakPolarHBondContact O-CD1 3.31Å; G880-I883 PolarHBondContact O-N 3.24Å
884	Y	58.3	Low	68.2	Low	45 Å²	45	67 Å²	67	18%	0.176	35%	0.348	C	S	.	.	S	Bend	trans	-100.8	-3.9	-175.2	-65.9	-71.7	0	0	0	112.9	K852 G880 E888 W889 V892	K852-Y884 WeakPolarHBondContact CB-OH 3.39Å; K852-Y884 PolarHBondContact O-OH 2.73Å; G880-Y884 WeakPolarHBondContact O-CD2 3Å; G880-Y884 PolarHBondContact O-N 3.36Å; Y884-E888 WeakPolarHBondContact O-CB 3.3Å; Y884-E888 PolarHBondContact O-N 3.47Å; Y884-W889 AromaticContact CD2-CE3 3.9Å; Y884-W889 HydrophobicContact CD2-CE3 3.9Å; Y884-W889 HydrophobicContact CD2-CZ3 4.08Å; Y884-W889 HydrophobicContact CG-CE3 4.46Å; Y884-V892 HydrophobicContact CD1-CG2 3.9Å; Y884-V892 HydrophobicContact CD2-CG2 4.5Å; Y884-V892 HydrophobicContact CE1-CG2 3.96Å; Y884-V892 HydrophobicContact CG-CG2 4.18Å
885	G	56.1	Low	67.1	Low	38 Å²	38	74.5 Å²	74.5	39%	0.392	37%	0.371	S	S	.	.	H	α-helix	trans	58.8	174.4	-169.1	0	0	0	0	0	112.3	V887 W889	G885-V887 VanDerWaalsContact C-N 3.28Å; G885-V887 PolarHBondContact O-N 2.73Å; G885-W889 WeakPolarHBondContact O-CB 3.49Å; G885-W889 PolarHBondContact O-N 3.5Å
886	N	55.4	Low	65.5	Low	134 Å²	134	79.2 Å²	79.2	72%	0.717	39%	0.389	S	S	*	.	H	α-helix	trans	-65.5	-30.4	-175.2	-76.9	-24.2	0	0	0	113.5	C890	N886-C890 PolarHBondContact O-SG 2.55Å
887	V	52.4	Low	64.1	Low	126 Å²	126	84.4 Å²	84.4	76%	0.764	41%	0.414	S	S	*	.	H	α-helix	trans	-84.2	-47.1	-172.3	-174.8	0	0	0	0	112.1	G885 W889 C890 A891	G885-V887 VanDerWaalsContact C-N 3.28Å; G885-V887 PolarHBondContact O-N 2.73Å; V887-W889 VanDerWaalsContact C-N 3.3Å; V887-W889 PolarHBondContact O-N 2.8Å; V887-C890 PolarHBondContact O-N 3.26Å; V887-A891 PolarHBondContact O-N 2.85Å
888	E	56.5	Low	63.1	Low	118 Å²	118	88.5 Å²	88.5	55%	0.551	43%	0.426	S	S	*	.	H	α-helix	trans	-74.2	-25.9	-180	-127.6	-177.9	-157.3	0	0	110.9	Y884 A891 V892	Y884-E888 WeakPolarHBondContact O-CB 3.3Å; Y884-E888 PolarHBondContact O-N 3.47Å; E888-A891 WeakPolarHBondContact O-CB 2.95Å; E888-A891 PolarHBondContact O-N 2.8Å; E888-V892 WeakPolarHBondContact O-CG2 3.49Å; E888-V892 PolarHBondContact O-N 2.87Å
889	W	57.4	Low	61.7	Low	23 Å²	23	89.9 Å²	89.9	9%	0.087	43%	0.433	C	S	.	.	H	α-helix	trans	-59.8	-44.8	171.6	-179.2	-117.6	0	0	0	113.1	Y876 G880 Y884 G885 V887 A891 V892 L893	Y876-W889 VanDerWaalsContact CB-CH2 3.49Å; Y876-W889 AromaticContact CD1-CH2 3.86Å; Y876-W889 HydrophobicContact CD1-CH2 3.86Å; Y876-W889 AromaticContact CD1-CZ3 3.86Å; Y876-W889 HydrophobicContact CD1-CZ3 3.86Å; Y876-W889 AromaticContact CG-CH2 3.98Å; Y876-W889 HydrophobicContact CG-CH2 3.98Å; Y876-W889 HydrophobicContact CG-CZ3 4.41Å; Y876-W889 WeakPolarHBondContact O-CH2 2.99Å; Y876-W889 WeakPolarHBondContact O-CZ2 2.95Å; G880-W889 VanDerWaalsContact CA-CZ3 3.42Å; Y884-W889 AromaticContact CD2-CE3 3.9Å; Y884-W889 HydrophobicContact CD2-CE3 3.9Å; Y884-W889 HydrophobicContact CD2-CZ3 4.08Å; Y884-W889 HydrophobicContact CG-CE3 4.46Å; G885-W889 WeakPolarHBondContact O-CB 3.49Å; G885-W889 PolarHBondContact O-N 3.5Å; V887-W889 VanDerWaalsContact C-N 3.3Å; V887-W889 PolarHBondContact O-N 2.8Å; W889-A891 VanDerWaalsContact C-N 3.31Å; W889-A891 PolarHBondContact O-N 2.04Å; W889-V892 PolarHBondContact O-N 3.48Å; W889-L893 HydrophobicContact CD2-CD1 4.37Å; W889-L893 HydrophobicContact CG-CD1 4.43Å; W889-L893 HydrophobicContact CZ2-CD1 4.29Å; W889-L893 HydrophobicContact CZ2-CG 4.43Å; W889-L893 PolarHBondContact O-N 2.88Å
890	C	55.8	Low	60.1	Low	67 Å²	67	95.1 Å²	95.1	45%	0.453	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-40.3	173.6	-72.7	0	0	0	0	111.3	N886 V887 L893 I894	N886-C890 PolarHBondContact O-SG 2.55Å; V887-C890 PolarHBondContact O-N 3.26Å; C890-L893 PolarHBondContact O-N 2.9Å; C890-I894 WeakPolarHBondContact O-CB 3.26Å; C890-I894 WeakPolarHBondContact O-CD1 3.34Å; C890-I894 WeakPolarHBondContact O-CG1 3.42Å; C890-I894 PolarHBondContact O-N 3.46Å
891	A	61.3	Low	59	Low	52 Å²	52	97.9 Å²	97.9	43%	0.43	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-40.6	177.9	0	0	0	0	0	112.7	V887 E888 W889 I894 R895	V887-A891 PolarHBondContact O-N 2.85Å; E888-A891 WeakPolarHBondContact O-CB 2.95Å; E888-A891 PolarHBondContact O-N 2.8Å; W889-A891 VanDerWaalsContact C-N 3.31Å; W889-A891 PolarHBondContact O-N 2.04Å; A891-I894 PolarHBondContact O-N 2.83Å; A891-R895 WeakPolarHBondContact O-CB 3.28Å; A891-R895 PolarHBondContact O-N 3.4Å
892	V	61.7	Low	58.2	Low	40 Å²	40	95.8 Å²	95.8	24%	0.242	48%	0.479	C	S	.	.	H	α-helix	trans	-63.6	-43.2	174.5	172.8	0	0	0	0	111	Y884 E888 W889 R895 W896	Y884-V892 HydrophobicContact CD1-CG2 3.9Å; Y884-V892 HydrophobicContact CD2-CG2 4.5Å; Y884-V892 HydrophobicContact CE1-CG2 3.96Å; Y884-V892 HydrophobicContact CG-CG2 4.18Å; E888-V892 WeakPolarHBondContact O-CG2 3.49Å; E888-V892 PolarHBondContact O-N 2.87Å; W889-V892 PolarHBondContact O-N 3.48Å; V892-R895 PolarHBondContact O-N 3.27Å; V892-W896 WeakPolarHBondContact O-CB 3.38Å; V892-W896 PolarHBondContact O-N 3.32Å
893	L	60.5	Low	57.4	Low	56 Å²	56	93.9 Å²	93.9	29%	0.293	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-48	174.5	-79.2	167.3	0	0	0	111.9	W889 C890 R895 W896 E897	W889-L893 HydrophobicContact CD2-CD1 4.37Å; W889-L893 HydrophobicContact CG-CD1 4.43Å; W889-L893 HydrophobicContact CZ2-CD1 4.29Å; W889-L893 HydrophobicContact CZ2-CG 4.43Å; W889-L893 PolarHBondContact O-N 2.88Å; C890-L893 PolarHBondContact O-N 2.9Å; L893-R895 VanDerWaalsContact C-N 3.33Å; L893-R895 PolarHBondContact O-N 3.49Å; L893-W896 PolarHBondContact O-N 3.12Å; L893-E897 WeakPolarHBondContact O-CG 3.25Å; L893-E897 PolarHBondContact O-N 2Å
894	I	63.2	Low	56.7	Low	88 Å²	88	97.4 Å²	97.4	45%	0.451	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-41.2	177.2	-68.8	162	0	0	0	111.4	C890 A891 E897 R898	C890-I894 WeakPolarHBondContact O-CB 3.26Å; C890-I894 WeakPolarHBondContact O-CD1 3.34Å; C890-I894 WeakPolarHBondContact O-CG1 3.42Å; C890-I894 PolarHBondContact O-N 3.46Å; A891-I894 PolarHBondContact O-N 2.83Å; I894-E897 PolarHBondContact O-N 3.5Å; I894-R898 WeakPolarHBondContact O-CB 3.19Å; I894-R898 WeakPolarHBondContact O-CG 3.37Å; I894-R898 PolarHBondContact O-N 3.44Å
895	R	65.1	Low	56.2	Low	185 Å²	185	102 Å²	102	70%	0.698	51%	0.509	S	S	*	.	H	α-helix	trans	-67.7	-38.3	178.9	-146.3	178.5	-152.8	174.1	5.9	111.7	A891 V892 L893 R898 Q899	A891-R895 WeakPolarHBondContact O-CB 3.28Å; A891-R895 PolarHBondContact O-N 3.4Å; V892-R895 PolarHBondContact O-N 3.27Å; L893-R895 VanDerWaalsContact C-N 3.33Å; L893-R895 PolarHBondContact O-N 3.49Å; R895-R898 PolarHBondContact O-N 2.73Å; R895-Q899 WeakPolarHBondContact O-CG 2.85Å; R895-Q899 PolarHBondContact O-N 3.3Å
896	W	56.4	Low	55.7	Low	99 Å²	99	103.6 Å²	103.6	38%	0.375	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-40.6	176.2	-156.5	69.9	0	0	0	111.5	A872 V892 L893 Q899 K900	A872-W896 HydrophobicContact CB-CH2 4.3Å; A872-W896 HydrophobicContact CB-CZ2 3.93Å; V892-W896 WeakPolarHBondContact O-CB 3.38Å; V892-W896 PolarHBondContact O-N 3.32Å; L893-W896 PolarHBondContact O-N 3.12Å; W896-Q899 PolarHBondContact O-N 2.72Å; W896-K900 WeakPolarHBondContact O-CB 3.48Å; W896-K900 PolarHBondContact O-N 3.41Å
897	E	58.8	Low	55.2	Low	140 Å²	140	102.4 Å²	102.4	65%	0.654	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-40.5	173.6	-71.3	-156.8	164.7	0	0	112.8	L893 I894 K900 A901	L893-E897 WeakPolarHBondContact O-CG 3.25Å; L893-E897 PolarHBondContact O-N 2Å; I894-E897 PolarHBondContact O-N 3.5Å; E897-K900 WeakPolarHBondContact O-CB 3.3Å; E897-K900 PolarHBondContact O-N 3.21Å; E897-A901 PolarHBondContact O-N 2.96Å
898	R	63.7	Low	54.8	Low	185 Å²	185	105.1 Å²	105.1	70%	0.698	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-39.4	174.2	-74.1	177.3	179.7	-172.3	1	113	I894 R895 A901 S902	I894-R898 WeakPolarHBondContact O-CB 3.19Å; I894-R898 WeakPolarHBondContact O-CG 3.37Å; I894-R898 PolarHBondContact O-N 3.44Å; R895-R898 PolarHBondContact O-N 2.73Å; R898-A901 WeakPolarHBondContact O-CB 3.48Å; R898-A901 PolarHBondContact O-N 2.8Å; R898-S902 PolarHBondContact O-N 3.37Å
899	Q	58.7	Low	53.8	Low	126 Å²	126	111.4 Å²	111.4	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-70.3	-33.3	175.6	-76.8	-176.2	-7.1	0	0	112.4	R895 W896 S902 Y903	R895-Q899 WeakPolarHBondContact O-CG 2.85Å; R895-Q899 PolarHBondContact O-N 3.3Å; W896-Q899 PolarHBondContact O-N 2.72Å; Q899-S902 PolarHBondContact O-N 2.93Å; Q899-Y903 WeakPolarHBondContact O-CB 3.34Å; Q899-Y903 PolarHBondContact O-N 2.89Å
900	K	57	Low	53.6	Low	113 Å²	113	115.8 Å²	115.8	49%	0.491	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-44.3	170.9	-140.9	176.9	-178.1	-172.8	0	110.2	W896 E897 S902 Y903 F904	W896-K900 WeakPolarHBondContact O-CB 3.48Å; W896-K900 PolarHBondContact O-N 3.41Å; E897-K900 WeakPolarHBondContact O-CB 3.3Å; E897-K900 PolarHBondContact O-N 3.21Å; K900-S902 VanDerWaalsContact C-N 3.33Å; K900-S902 PolarHBondContact O-N 2.82Å; K900-Y903 PolarHBondContact O-N 2.84Å; K900-F904 HydrophobicContact CG-CD2 4.26Å; K900-F904 HydrophobicContact CG-CE2 4.2Å; K900-F904 WeakPolarHBondContact O-CB 3.22Å; K900-F904 VanDerWaalsContact O-CD2 3.28Å; K900-F904 WeakPolarHBondContact O-CD2 3.28Å; K900-F904 PolarHBondContact O-N 3.45Å; K900-F904 VanDerWaalsContact O-N 3.12Å
901	A	50	Low	53.5	Low	59 Å²	59	118.4 Å²	118.4	49%	0.488	56%	0.562	S	S	.	*	H	α-helix	trans	-60.8	-39.7	174.4	0	0	0	0	0	112.7	E897 R898 Q905	E897-A901 PolarHBondContact O-N 2.96Å; R898-A901 WeakPolarHBondContact O-CB 3.48Å; R898-A901 PolarHBondContact O-N 2.8Å; A901-Q905 WeakPolarHBondContact O-CB 3.3Å; A901-Q905 PolarHBondContact O-N 2.89Å
902	S	51.5	Low	53.1	Low	71 Å²	71	122.1 Å²	122.1	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-71.5	-42.2	177.6	171.1	0	0	0	0	113.9	R898 Q899 K900 Q905 S906	R898-S902 PolarHBondContact O-N 3.37Å; Q899-S902 PolarHBondContact O-N 2.93Å; K900-S902 VanDerWaalsContact C-N 3.33Å; K900-S902 PolarHBondContact O-N 2.82Å; S902-Q905 WeakPolarHBondContact O-CB 3.44Å; S902-Q905 PolarHBondContact O-N 3.2Å; S902-Q905 VanDerWaalsContact O-N 3.13Å; S902-S906 PolarHBondContact O-N 2.99Å; S902-S906 PolarHBondContact O-OG 2.64Å
903	Y	43.5	Very low	52.5	Low	150 Å²	150	126.9 Å²	126.9	59%	0.588	59%	0.589	S	S	*	*	H	α-helix	trans	-68.5	-34.2	179	-173	-103.9	0	0	0	112.3	Q899 K900 Q905 S906 L907	Q899-Y903 WeakPolarHBondContact O-CB 3.34Å; Q899-Y903 PolarHBondContact O-N 2.89Å; K900-Y903 PolarHBondContact O-N 2.84Å; Y903-Q905 VanDerWaalsContact C-N 3.33Å; Y903-S906 PolarHBondContact O-N 3.49Å; Y903-S906 PolarHBondContact O-OG 2.93Å; Y903-L907 HydrophobicContact CD1-CD1 3.87Å; Y903-L907 HydrophobicContact CE1-CD1 3.4Å; Y903-L907 VanDerWaalsContact CE1-CD1 3.4Å; Y903-L907 HydrophobicContact CE2-CD1 4.33Å; Y903-L907 PolarHBondContact O-N 3.42Å
904	F	47.1	Very low	52	Low	131 Å²	131	131.3 Å²	131.3	58%	0.575	61%	0.608	S	S	*	*	H	α-helix	trans	-76.3	-17.5	171.7	-84.3	-81.3	0	0	0	113.5	K900	K900-F904 HydrophobicContact CG-CD2 4.26Å; K900-F904 HydrophobicContact CG-CE2 4.2Å; K900-F904 WeakPolarHBondContact O-CB 3.22Å; K900-F904 VanDerWaalsContact O-CD2 3.28Å; K900-F904 WeakPolarHBondContact O-CD2 3.28Å; K900-F904 PolarHBondContact O-N 3.45Å; K900-F904 VanDerWaalsContact O-N 3.12Å
905	Q	48.4	Very low	51.3	Low	142 Å²	142	134.2 Å²	134.2	66%	0.664	62%	0.618	S	S	*	*	H	α-helix	trans	-81.1	-34.1	168.8	-93.6	175.1	-26.7	0	0	112.5	A901 S902 Y903	A901-Q905 WeakPolarHBondContact O-CB 3.3Å; A901-Q905 PolarHBondContact O-N 2.89Å; S902-Q905 WeakPolarHBondContact O-CB 3.44Å; S902-Q905 PolarHBondContact O-N 3.2Å; S902-Q905 VanDerWaalsContact O-N 3.13Å; Y903-Q905 VanDerWaalsContact C-N 3.33Å
906	S	45.5	Very low	50.3	Low	70 Å²	70	130.6 Å²	130.6	49%	0.49	61%	0.612	S	S	.	*	H	α-helix	trans	-81.5	-16.9	-179	64.2	0	0	0	0	114.9	S902 Y903 K908	S902-S906 PolarHBondContact O-N 2.99Å; S902-S906 PolarHBondContact O-OG 2.64Å; Y903-S906 PolarHBondContact O-N 3.49Å; Y903-S906 PolarHBondContact O-OG 2.93Å; S906-K908 VanDerWaalsContact C-N 3.33Å
907	L	45.6	Very low	49.8	Very low	110 Å²	110	133 Å²	133	58%	0.576	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	7.2	173.2	-74.7	165.9	0	0	0	113.2	Y903	Y903-L907 HydrophobicContact CD1-CD1 3.87Å; Y903-L907 HydrophobicContact CE1-CD1 3.4Å; Y903-L907 VanDerWaalsContact CE1-CD1 3.4Å; Y903-L907 HydrophobicContact CE2-CD1 4.33Å; Y903-L907 PolarHBondContact O-N 3.42Å
908	K	43.7	Very low	49.1	Very low	183 Å²	183	132.4 Å²	132.4	80%	0.796	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	7.5	175.3	-84.3	-176.3	175.9	176.6	0	113.6	S906	S906-K908 VanDerWaalsContact C-N 3.33Å
909	F	34.6	Very low	47.8	Very low	249 Å²	249	127.6 Å²	127.6	100%	1.092	62%	0.622	S	S	*	*			trans	-110.1	0	156.5	-75.8	-85.1	0	0	0	107.5

Retrieved 909 of 909 residues in 1249.1 ms (Link to these results)

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