A0A5K4FBZ2_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,042 aa.

						>A0A5K4FBZ2_SCHMA|A0A5K4FBZ2
MENIYPFNLSIILNLFNIQWIISYEQLYPTDFQSLNLGSCLLNGGDLYCQKYRRYSFCSIKHDECFCLPNYVSVYEMNDSWYTCKPLLTDLYCRIDSDCSYIHGSICHPGVGGCVCPSGYEFVFQHFSCLPRANDSLNPLCIDCQRINGVCVVNNRKNGLLLNDYYQDNLQCACPRKPNISDIQKYSFFDLCNPIPVDIGEECNHINKVCISQKAICHKNSMNDLDQTQLTTKHNLNICVCHDGWIPVYQKNLDYFECFHEITDPSIIDCQNCYQSNNKCYQFNIGSINKLHNQYRCTCSLFKQNNQCSSSDTTCLYHIDINDDPDFNQFLMKKKNIQFDQYKQVKEPSILNRNKKDCIEYLLHITCNQESIHICFNNPYPISIINHNYNYKLNSDLIYLKKSINFPKFIKNLFNYSINNKKCYLINNPNHNQYCLMLNIQFNELKQCGIYEINYKYGSVFYGTLHAEITQSEVSLLRNIHIDFACHINVSHLNGSNLSTSYFYDRSINMKKRTDPLILSQKSSEINNFLSINDIEKVTLQKERIRNMNSKFILIEYCLINGQSIPSKIRPTYEHEELLDLKCFNTNIHRIKRIMDLFKNLPEYQCILFKQIIHHRTSNNNNHSIWISQPFHLKNVSLYNSVYSTCLIRVCQIEQFCTYAEFYSFNRTDKQYNDQSIQSKVYIPLIMLSNNNNNDRNKTNLAHLFPPINFNNLIQFHFIQSTLKLNQTNMNIQLNDPIDIMGLGFSVNVNNEIQVDLTDETQIKQRTHVNKSQEYVWIKYILGISMFTLIFQIIIFIFKYLKKYYTKYKLANHRNSFLMTENANEVQQSINRDVNSKQIYHNGYHMENICQLHNTNIIIDNNRLNKERKDTECDIIEQNQPDHPHPHQHHQYQQQQLHPMNSLPKSKQTNQYMECLFTYPLNKSNTILHYTNSYLKSPIYDQQDHNNVDQNDNDDHDLPHFTMDSCIKTKNNNLPQHISKSTLNIVSSNQMKVPIEHSIINSCIHKDVLLPTCYHNDCLKQQYGYCTIYHNLKNHNYNNGWV
					

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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	39.2	Very low	52.7	Low	231 Å²	231	142.8 Å²	142.8	100%	1.138	72%	0.724	S	S	*	*				0	71.1	0	-79.6	-175.3	171.2	0	0	107.9
2	E	40.2	Very low	54.4	Low	178 Å²	178	137.5 Å²	137.5	83%	0.832	70%	0.697	S	S	*	*			trans	-128	13.9	-149.1	-84.2	137.7	130.4	0	0	116.9
3	N	46.1	Very low	56.1	Low	166 Å²	166	134.5 Å²	134.5	89%	0.888	68%	0.683	S	S	*	*			trans	-120.1	29.4	-168.5	-87.5	-21.8	0	0	0	116.1
4	I	44.7	Very low	57.5	Low	144 Å²	144	131.4 Å²	131.4	74%	0.738	67%	0.669	S	S	*	*	S	Bend	trans	-140.4	139.4	172.5	-46.5	179.4	0	0	0	109.3
5	Y	39.6	Very low	58.8	Low	191 Å²	191	128.9 Å²	128.9	75%	0.749	66%	0.658	S	S	*	*			trans	84	66.5	178.8	-58.5	-77.1	0	0	0	119.7
6	P	47.2	Very low	59.7	Low	123 Å²	123	126 Å²	126	80%	0.799	64%	0.639	S	S	*	*	S	Bend	trans	-98.8	-14.5	138.1	32.1	-30.3	0	0	0	112.6	N8	P6-N8 PolarHBondContact O-N 3.43Å
7	F	48.5	Very low	60.4	Low	166 Å²	166	123.9 Å²	123.9	73%	0.728	63%	0.63	S	S	*	*	S	Bend	trans	-80.8	96.4	173	-90	-100.5	0	0	0	111.3
8	N	59.6	Low	61.1	Low	77 Å²	77	122.2 Å²	122.2	41%	0.412	62%	0.621	S	S	.	*	S	Bend	trans	176.8	-15.8	135.4	-99.7	-36.5	0	0	0	115.8	P6 S10 I11 I12	P6-N8 PolarHBondContact O-N 3.43Å; N8-S10 VanDerWaalsContact C-N 3.34Å; N8-S10 PolarHBondContact O-N 2.72Å; N8-I11 PolarHBondContact O-N 2.84Å; N8-I12 HydrophobicContact CB-CD1 4Å; N8-I12 HydrophobicContact CB-CG1 4.37Å; N8-I12 WeakPolarHBondContact O-CG1 3.19Å; N8-I12 PolarHBondContact O-N 3.34Å
9	L	67.6	Low	61.6	Low	133 Å²	133	120.5 Å²	120.5	70%	0.696	61%	0.611	S	S	*	*	H	α-helix	trans	-60.2	-41	-170.3	-159.2	75	0	0	0	113.3	I12 L13	L9-I12 PolarHBondContact O-N 3.17Å; L9-L13 HydrophobicContact CG-CD1 4.44Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 PolarHBondContact O-N 3.49Å
10	S	72.6	Confident	61.6	Low	81 Å²	81	122.2 Å²	122.2	57%	0.566	61%	0.609	S	S	*	*	H	α-helix	trans	-62.3	-41.5	173.2	162.8	0	0	0	0	113	N8 L13 N14	N8-S10 VanDerWaalsContact C-N 3.34Å; N8-S10 PolarHBondContact O-N 2.72Å; S10-L13 PolarHBondContact O-N 3.42Å; S10-N14 WeakPolarHBondContact O-CB 3.44Å; S10-N14 PolarHBondContact O-N 3.26Å
11	I	74.2	Confident	61.7	Low	81 Å²	81	121 Å²	121	42%	0.415	60%	0.604	S	S	.	*	H	α-helix	trans	-68.1	-40.7	178.9	-61.9	174.5	0	0	0	110.2	N8 N14 L15	N8-I11 PolarHBondContact O-N 2.84Å; I11-N14 PolarHBondContact O-N 2.67Å; I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CB 3.04Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.45Å; I11-L15 PolarHBondContact O-N 3.28Å
12	I	73.9	Confident	62.6	Low	79 Å²	79	113.8 Å²	113.8	41%	0.405	57%	0.569	S	S	.	*	H	α-helix	trans	-64.7	-43.7	175.7	-66.8	168.6	0	0	0	110.8	N8 L9 L15 F16	N8-I12 HydrophobicContact CB-CD1 4Å; N8-I12 HydrophobicContact CB-CG1 4.37Å; N8-I12 WeakPolarHBondContact O-CG1 3.19Å; N8-I12 PolarHBondContact O-N 3.34Å; L9-I12 PolarHBondContact O-N 3.17Å; I12-L15 PolarHBondContact O-N 3.15Å; I12-F16 HydrophobicContact CG2-CD2 3.85Å; I12-F16 HydrophobicContact CG2-CE2 4.13Å; I12-F16 WeakPolarHBondContact O-CB 3.28Å; I12-F16 WeakPolarHBondContact O-CD2 3.31Å; I12-F16 PolarHBondContact O-N 3.06Å
13	L	75.5	Confident	63.1	Low	99 Å²	99	108 Å²	108	52%	0.518	55%	0.549	S	S	.	.	H	α-helix	trans	-61.6	-43.1	174.9	-88.2	157.5	0	0	0	112.3	L9 S10 F16 N17	L9-L13 HydrophobicContact CG-CD1 4.44Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 PolarHBondContact O-N 3.49Å; S10-L13 PolarHBondContact O-N 3.42Å; L13-F16 PolarHBondContact O-N 3.39Å; L13-N17 WeakPolarHBondContact O-CB 3.14Å; L13-N17 PolarHBondContact O-N 3.19Å
14	N	75.7	Confident	63.1	Low	90 Å²	90	106.8 Å²	106.8	48%	0.481	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-40	175.6	-77.6	-23.3	0	0	0	112.4	S10 I11 N17 I18	S10-N14 WeakPolarHBondContact O-CB 3.44Å; S10-N14 PolarHBondContact O-N 3.26Å; I11-N14 PolarHBondContact O-N 2.67Å; N14-N17 PolarHBondContact O-N 3.13Å; N14-I18 WeakPolarHBondContact O-CB 3.3Å; N14-I18 WeakPolarHBondContact O-CD1 3.4Å; N14-I18 VanDerWaalsContact O-CG1 3.24Å; N14-I18 WeakPolarHBondContact O-CG1 3.05Å; N14-I18 PolarHBondContact O-N 2.86Å
15	L	77.2	Confident	62.9	Low	95 Å²	95	106.8 Å²	106.8	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-38.3	174.1	-72.8	170.4	0	0	0	112.1	I11 I12 Q19	I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CB 3.04Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.45Å; I11-L15 PolarHBondContact O-N 3.28Å; I12-L15 PolarHBondContact O-N 3.15Å; L15-Q19 VanDerWaalsContact O-CB 3.3Å; L15-Q19 WeakPolarHBondContact O-CB 3.45Å; L15-Q19 PolarHBondContact O-N 2.91Å
16	F	73.9	Confident	62.9	Low	82 Å²	82	105.1 Å²	105.1	36%	0.36	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-41.8	172.8	-100.8	-84.2	0	0	0	111.9	I12 L13 Q19 W20 F798	I12-F16 HydrophobicContact CG2-CD2 3.85Å; I12-F16 HydrophobicContact CG2-CE2 4.13Å; I12-F16 WeakPolarHBondContact O-CB 3.28Å; I12-F16 WeakPolarHBondContact O-CD2 3.31Å; I12-F16 PolarHBondContact O-N 3.06Å; L13-F16 PolarHBondContact O-N 3.39Å; F16-Q19 PolarHBondContact O-N 3.44Å; F16-W20 VanDerWaalsContact O-CB 3.31Å; F16-W20 WeakPolarHBondContact O-CB 3.2Å; F16-W20 PolarHBondContact O-N 3.08Å; F16-F798 HydrophobicContact CZ-CE2 4.24Å
17	N	72	Confident	62.2	Low	91 Å²	91	104.2 Å²	104.2	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-46.9	175.3	-80.3	-16.2	0	0	0	111.9	L13 N14 Q19 W20 I21	L13-N17 WeakPolarHBondContact O-CB 3.14Å; L13-N17 PolarHBondContact O-N 3.19Å; N14-N17 PolarHBondContact O-N 3.13Å; N17-Q19 VanDerWaalsContact C-N 3.33Å; N17-Q19 PolarHBondContact O-N 3.14Å; N17-W20 WeakPolarHBondContact O-CB 3.38Å; N17-W20 PolarHBondContact O-N 3.31Å; N17-I21 WeakPolarHBondContact O-CB 3.41Å; N17-I21 WeakPolarHBondContact O-CD1 3.46Å; N17-I21 VanDerWaalsContact O-CG1 3.29Å; N17-I21 WeakPolarHBondContact O-CG1 3.46Å; N17-I21 PolarHBondContact O-N 3.17Å
18	I	72.5	Confident	61.2	Low	92 Å²	92	105.1 Å²	105.1	47%	0.472	52%	0.516	S	S	.	.	H	α-helix	trans	-60	-44.2	176.2	-70.2	164	0	0	0	110.3	N14 I21 I22	N14-I18 WeakPolarHBondContact O-CB 3.3Å; N14-I18 WeakPolarHBondContact O-CD1 3.4Å; N14-I18 VanDerWaalsContact O-CG1 3.24Å; N14-I18 WeakPolarHBondContact O-CG1 3.05Å; N14-I18 PolarHBondContact O-N 2.86Å; I18-I21 PolarHBondContact O-N 3.37Å; I18-I22 HydrophobicContact CG2-CD1 3.68Å; I18-I22 HydrophobicContact CG2-CG1 4.44Å; I18-I22 WeakPolarHBondContact O-CB 3.31Å; I18-I22 VanDerWaalsContact O-CG1 3.27Å; I18-I22 WeakPolarHBondContact O-CG1 3.41Å; I18-I22 PolarHBondContact O-N 2.95Å
19	Q	69.9	Low	59.8	Low	90 Å²	90	106 Å²	106	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-72.5	-27.9	177.8	-170.6	151.8	3.8	0	0	112.9	L15 F16 N17 S23 F791	L15-Q19 VanDerWaalsContact O-CB 3.3Å; L15-Q19 WeakPolarHBondContact O-CB 3.45Å; L15-Q19 PolarHBondContact O-N 2.91Å; F16-Q19 PolarHBondContact O-N 3.44Å; N17-Q19 VanDerWaalsContact C-N 3.33Å; N17-Q19 PolarHBondContact O-N 3.14Å; Q19-S23 WeakPolarHBondContact O-CB 3.39Å; Q19-S23 PolarHBondContact O-N 3.07Å; Q19-S23 PolarHBondContact O-OG 3.36Å; Q19-F791 VanDerWaalsContact OE1-CZ 3.31Å
20	W	62.3	Low	58.5	Low	155 Å²	155	103.1 Å²	103.1	59%	0.587	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-46.2	168.7	-111.9	76.8	0	0	0	111.6	F16 N17 S23 Y24	F16-W20 VanDerWaalsContact O-CB 3.31Å; F16-W20 WeakPolarHBondContact O-CB 3.2Å; F16-W20 PolarHBondContact O-N 3.08Å; N17-W20 WeakPolarHBondContact O-CB 3.38Å; N17-W20 PolarHBondContact O-N 3.31Å; W20-S23 CarbonylContact O-C 3.52Å; W20-S23 PolarHBondContact O-N 2.04Å; W20-Y24 AromaticContact CE3-CD2 3.65Å; W20-Y24 HydrophobicContact CE3-CD2 3.65Å; W20-Y24 AromaticContact CE3-CE2 3.61Å; W20-Y24 HydrophobicContact CE3-CE2 3.61Å; W20-Y24 AromaticContact CH2-CE2 3.89Å; W20-Y24 HydrophobicContact CH2-CE2 3.89Å; W20-Y24 AromaticContact CZ3-CD2 3.76Å; W20-Y24 HydrophobicContact CZ3-CD2 3.76Å; W20-Y24 AromaticContact CZ3-CE2 3.19Å; W20-Y24 HydrophobicContact CZ3-CE2 3.19Å; W20-Y24 AromaticContact CZ3-CZ 3.93Å; W20-Y24 WeakPolarHBondContact O-CB 3.14Å; W20-Y24 PolarHBondContact O-N 2.87Å
21	I	64.2	Low	57.5	Low	97 Å²	97	101 Å²	101	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-52.5	176.9	-70.1	159.1	0	0	0	109.8	N17 I18 S23 Y24 E25	N17-I21 WeakPolarHBondContact O-CB 3.41Å; N17-I21 WeakPolarHBondContact O-CD1 3.46Å; N17-I21 VanDerWaalsContact O-CG1 3.29Å; N17-I21 WeakPolarHBondContact O-CG1 3.46Å; N17-I21 PolarHBondContact O-N 3.17Å; I18-I21 PolarHBondContact O-N 3.37Å; I21-S23 VanDerWaalsContact C-N 3.26Å; I21-S23 PolarHBondContact O-N 3.33Å; I21-Y24 CarbonylContact O-C 3.59Å; I21-Y24 PolarHBondContact O-N 3.03Å; I21-E25 HydrophobicContact CG2-CG 4.4Å; I21-E25 PolarHBondContact O-N 3.26Å
22	I	58.1	Low	56.6	Low	80 Å²	80	101 Å²	101	41%	0.41	49%	0.494	S	S	.	.	H	α-helix	trans	-59.3	-36.8	176.9	-66.4	166.6	0	0	0	111.5	I18 Q26	I18-I22 HydrophobicContact CG2-CD1 3.68Å; I18-I22 HydrophobicContact CG2-CG1 4.44Å; I18-I22 WeakPolarHBondContact O-CB 3.31Å; I18-I22 VanDerWaalsContact O-CG1 3.27Å; I18-I22 WeakPolarHBondContact O-CG1 3.41Å; I18-I22 PolarHBondContact O-N 2.95Å; I22-Q26 WeakPolarHBondContact O-CB 3.5Å; I22-Q26 VanDerWaalsContact O-CG 3.3Å; I22-Q26 WeakPolarHBondContact O-CG 3.06Å; I22-Q26 PolarHBondContact O-N 3.03Å
23	S	50.2	Low	56.1	Low	56 Å²	56	100 Å²	100	39%	0.392	49%	0.487	S	S	.	.	H	α-helix	trans	-74.2	-24.3	176.8	-57.7	0	0	0	0	113.4	Q19 W20 I21 L27	Q19-S23 WeakPolarHBondContact O-CB 3.39Å; Q19-S23 PolarHBondContact O-N 3.07Å; Q19-S23 PolarHBondContact O-OG 3.36Å; W20-S23 CarbonylContact O-C 3.52Å; W20-S23 PolarHBondContact O-N 2.04Å; I21-S23 VanDerWaalsContact C-N 3.26Å; I21-S23 PolarHBondContact O-N 3.33Å; S23-L27 WeakPolarHBondContact O-CD1 3.43Å; S23-L27 WeakPolarHBondContact O-CG 3.33Å
24	Y	44.7	Very low	56	Low	141 Å²	141	96.3 Å²	96.3	55%	0.553	47%	0.47	S	S	*	.	H	α-helix	trans	-86.2	-36.1	175.9	-108	-99.3	0	0	0	112.3	W20 I21 Q26 L27	W20-Y24 AromaticContact CE3-CD2 3.65Å; W20-Y24 HydrophobicContact CE3-CD2 3.65Å; W20-Y24 AromaticContact CE3-CE2 3.61Å; W20-Y24 HydrophobicContact CE3-CE2 3.61Å; W20-Y24 AromaticContact CH2-CE2 3.89Å; W20-Y24 HydrophobicContact CH2-CE2 3.89Å; W20-Y24 AromaticContact CZ3-CD2 3.76Å; W20-Y24 HydrophobicContact CZ3-CD2 3.76Å; W20-Y24 AromaticContact CZ3-CE2 3.19Å; W20-Y24 HydrophobicContact CZ3-CE2 3.19Å; W20-Y24 AromaticContact CZ3-CZ 3.93Å; W20-Y24 WeakPolarHBondContact O-CB 3.14Å; W20-Y24 PolarHBondContact O-N 2.87Å; I21-Y24 CarbonylContact O-C 3.59Å; I21-Y24 PolarHBondContact O-N 3.03Å; Y24-Q26 PolarHBondContact O-N 2.94Å; Y24-L27 HydrophobicContact CD2-CD1 4.47Å; Y24-L27 WeakPolarHBondContact O-CB 2.98Å; Y24-L27 PolarHBondContact O-N 3.04Å
25	E	42.3	Very low	56.3	Low	144 Å²	144	92.2 Å²	92.2	67%	0.673	45%	0.448	S	S	*	.	H	α-helix	trans	-67.5	-24.3	171.5	-71.1	180	142.8	0	0	112	I21 L27	I21-E25 HydrophobicContact CG2-CG 4.4Å; I21-E25 PolarHBondContact O-N 3.26Å; E25-L27 VanDerWaalsContact C-N 3.32Å
26	Q	39	Very low	56.2	Low	156 Å²	156	93.5 Å²	93.5	73%	0.729	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.2	168.6	-71.7	-179	0	0	0	114.1	I22 Y24 Y28	I22-Q26 WeakPolarHBondContact O-CB 3.5Å; I22-Q26 VanDerWaalsContact O-CG 3.3Å; I22-Q26 WeakPolarHBondContact O-CG 3.06Å; I22-Q26 PolarHBondContact O-N 3.03Å; Y24-Q26 PolarHBondContact O-N 2.94Å; Q26-Y28 PolarHBondContact O-N 3.42Å
27	L	32	Very low	56.6	Low	103 Å²	103	91.2 Å²	91.2	54%	0.539	45%	0.446	S	S	.	.	S	Bend	trans	-92.2	70.5	173.6	-82.5	162.9	0	0	0	110.9	S23 Y24 E25	S23-L27 WeakPolarHBondContact O-CD1 3.43Å; S23-L27 WeakPolarHBondContact O-CG 3.33Å; Y24-L27 HydrophobicContact CD2-CD1 4.47Å; Y24-L27 WeakPolarHBondContact O-CB 2.98Å; Y24-L27 PolarHBondContact O-N 3.04Å; E25-L27 VanDerWaalsContact C-N 3.32Å
28	Y	28.4	Very low	57.1	Low	185 Å²	185	88.4 Å²	88.4	73%	0.725	44%	0.439	S	S	*	.			trans	63.8	106.7	166.7	-59.5	-88.6	0	0	0	116.7	Q26 T30	Q26-Y28 PolarHBondContact O-N 3.42Å; Y28-T30 VanDerWaalsContact C-N 3.34Å; Y28-T30 PolarHBondContact O-N 3.26Å
29	P	30	Very low	57.6	Low	95 Å²	95	85.4 Å²	85.4	62%	0.617	43%	0.426	S	S	*	.				-59.6	110.1	116.8	31.5	-28.4	0	0	0	106.5	D31	P29-D31 PolarHBondContact O-N 2.59Å
30	T	39.7	Very low	58.6	Low	73 Å²	73	81.1 Å²	81.1	45%	0.448	41%	0.406	S	S	.	.			trans	-65.5	106.2	162.2	44	0	0	0	0	105.8	Y28 F32	Y28-T30 VanDerWaalsContact C-N 3.34Å; Y28-T30 PolarHBondContact O-N 3.26Å; T30-F32 VanDerWaalsContact O-CD2 3.32Å; T30-F32 WeakPolarHBondContact O-CD2 3.33Å; T30-F32 VanDerWaalsContact O-CG 3.28Å; T30-F32 WeakPolarHBondContact O-CG 3.46Å; T30-F32 PolarHBondContact O-N 3.26Å; T30-F32 VanDerWaalsContact OG1-CE1 3.25Å; T30-F32 WeakPolarHBondContact OG1-CE1 3.41Å
31	D	51.4	Low	59.7	Low	38 Å²	38	77.6 Å²	77.6	20%	0.203	40%	0.399	C	S	.	.			trans	-52.2	104.7	168.5	-82.2	-14.6	0	0	0	106.5	P29 Q33 S34 H62 F66 N528	P29-D31 PolarHBondContact O-N 2.59Å; D31-Q33 PolarHBondContact O-N 2.87Å; D31-S34 PolarHBondContact O-N 3.02Å; D31-H62 IonicContact OD2-CE1 3.31Å; D31-F66 HydrophobicContact CB-CE1 4.1Å; D31-N528 PolarHBondContact OD1-ND2 2.96Å
32	F	55.6	Low	60.6	Low	81 Å²	81	80.1 Å²	80.1	36%	0.355	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	23.4	-166.4	-61.9	-75.6	0	0	0	114.2	T30 S73	T30-F32 VanDerWaalsContact O-CD2 3.32Å; T30-F32 WeakPolarHBondContact O-CD2 3.33Å; T30-F32 VanDerWaalsContact O-CG 3.28Å; T30-F32 WeakPolarHBondContact O-CG 3.46Å; T30-F32 PolarHBondContact O-N 3.26Å; T30-F32 VanDerWaalsContact OG1-CE1 3.25Å; T30-F32 WeakPolarHBondContact OG1-CE1 3.41Å; F32-S73 PolarHBondContact O-N 2.94Å; F32-S73 PolarHBondContact O-OG 3.12Å
33	Q	64	Low	61.8	Low	57 Å²	57	80.8 Å²	80.8	27%	0.266	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-19.9	177.9	-69.8	176.4	0.6	0	0	112	D31 F66 C67	D31-Q33 PolarHBondContact O-N 2.87Å; Q33-F66 HydrophobicContact CB-CB 4.38Å; Q33-F66 HydrophobicContact CB-CD1 3.76Å; Q33-F66 CarbonylContact O-C 3.54Å; Q33-F66 WeakPolarHBondContact O-CA 3.42Å; Q33-C67 PolarHBondContact O-N 3.09Å
34	S	74.1	Confident	63.3	Low	21 Å²	21	80.3 Å²	80.3	15%	0.147	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-70.2	136.8	179.1	178.1	0	0	0	0	111.4	D31 E64	D31-S34 PolarHBondContact O-N 3.02Å; S34-E64 PolarHBondContact OG-OE2 3.29Å
35	L	80.1	Confident	65.3	Low	4 Å²	4	74 Å²	74	2%	0.021	40%	0.399	C	S	.	.			trans	-104.5	-1.9	-172.7	-62.7	160.4	0	0	0	113.3	L37 R53 S56 C65 Y82	L35-L37 HydrophobicContact CB-CG 4.22Å; L35-L37 PolarHBondContact O-N 2.92Å; L35-R53 HydrophobicContact CD1-CB 3.96Å; L35-R53 HydrophobicContact CD1-CG 4.1Å; L35-S56 VanDerWaalsContact CD1-CB 3.4Å; L35-C65 HydrophobicContact CB-CB 4.3Å; L35-C65 WeakPolarHBondContact CB-O 3.48Å; L35-C65 HydrophobicContact CD1-CB 4.05Å; L35-C65 PolarHBondContact N-O 3.43Å; L35-Y82 WeakPolarHBondContact CD2-O 2.99Å
36	N	77.1	Confident	67.3	Low	123 Å²	123	69.3 Å²	69.3	66%	0.658	38%	0.378	S	S	*	.			trans	44.4	53.8	179.2	-165.6	6.7	0	0	0	114
37	L	81.4	Confident	69.5	Low	33 Å²	33	68 Å²	68	17%	0.173	38%	0.376	C	S	.	.			trans	-90.2	-2.9	174.6	-59.2	-177.7	0	0	0	113.2	L35 Y48 R53 C65	L35-L37 HydrophobicContact CB-CG 4.22Å; L35-L37 PolarHBondContact O-N 2.92Å; L37-Y48 HydrophobicContact CB-CE1 3.9Å; L37-Y48 HydrophobicContact CD1-CE1 4.36Å; L37-Y48 PolarHBondContact O-OH 3.4Å; L37-R53 HydrophobicContact CD1-CG 3.78Å; L37-R53 HydrophobicContact CD2-CG 4.32Å; L37-R53 HydrophobicContact CG-CG 4.47Å; L37-C65 HydrophobicContact CD1-CB 3.92Å; L37-C65 HydrophobicContact CG-CB 4.39Å
38	G	81.4	Confident	72.2	Confident	33 Å²	33	64.9 Å²	64.9	34%	0.34	36%	0.357	S	S	.	.			trans	77.7	-169.4	-165.8	0	0	0	0	0	113	C40	G38-C40 PolarHBondContact O-N 3.39Å; G38-C40 VanDerWaalsContact O-N 3.12Å
39	S	84.9	Confident	75.1	Confident	28 Å²	28	56 Å²	56	20%	0.196	32%	0.322	C	S	.	.			trans	-51.7	111.7	-173.8	178.7	0	0	0	0	112.6	L42 N43 D63	S39-L42 VanDerWaalsContact OG-CB 3.31Å; S39-L42 WeakPolarHBondContact OG-CB 3.3Å; S39-L42 WeakPolarHBondContact OG-CD1 3.35Å; S39-L42 WeakPolarHBondContact OG-CG 3.22Å; S39-L42 PolarHBondContact OG-N 3.06Å; S39-N43 PolarHBondContact O-ND2 3.46Å; S39-D63 WeakPolarHBondContact CA-O 3.49Å; S39-D63 WeakPolarHBondContact CA-OD1 3.4Å; S39-D63 VanDerWaalsContact CB-OD2 3.24Å; S39-D63 WeakPolarHBondContact CB-OD2 3.02Å; S39-D63 PolarHBondContact OG-OD1 3.36Å; S39-D63 PolarHBondContact OG-OD2 3.35Å
40	C	89.1	Confident	77.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-85.9	-30.9	177	64	0	0	0	0	112.5	G38 N43 G44 G45 Y48 C49 C58 D63 E64 C65	G38-C40 PolarHBondContact O-N 3.39Å; G38-C40 VanDerWaalsContact O-N 3.12Å; C40-N43 PolarHBondContact O-N 3.08Å; C40-G44 PolarHBondContact O-N 3.49Å; C40-G45 WeakPolarHBondContact O-CA 3.5Å; C40-G45 PolarHBondContact O-N 3.26Å; C40-Y48 HydrophobicContact CB-CD1 3.95Å; C40-C49 VanDerWaalsContact CB-SG 3.59Å; C40-C58 HydrophobicContact CB-CB 3.74Å; C40-C58 WeakPolarHBondContact CB-SG 3.48Å; C40-C58 WeakPolarHBondContact SG-CA 3.42Å; C40-C58 WeakPolarHBondContact SG-CB 3.49Å; C40-C58 CovalentContact SG-SG 2.03Å; C40-C58 PolarHBondContact SG-SG 2.91Å; C40-D63 PolarHBondContact N-O 2.84Å; C40-D63 VanDerWaalsContact N-O 3.08Å; C40-D63 PolarHBondContact N-OD1 3.35Å; C40-D63 VanDerWaalsContact SG-C 3.54Å; C40-E64 PolarHBondContact SG-N 2.85Å; C40-E64 PolarHBondContact SG-O 2.83Å; C40-E64 VanDerWaalsContact SG-O 3.34Å; C40-C65 VanDerWaalsContact CB-SG 3.56Å
41	L	85.6	Confident	79.9	Confident	82 Å²	82	60.4 Å²	60.4	43%	0.429	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-41.8	179	-65.7	173.5	0	0	0	112.1	N43 I60 D63	L41-N43 PolarHBondContact O-N 2.86Å; L41-I60 HydrophobicContact CD1-CG2 4.32Å; L41-I60 HydrophobicContact CD2-CB 4.39Å; L41-I60 HydrophobicContact CD2-CG1 4.22Å; L41-I60 HydrophobicContact CD2-CG2 4.23Å; L41-D63 WeakPolarHBondContact CB-OD1 3.27Å; L41-D63 HydrophobicContact CD1-CB 4.13Å; L41-D63 HydrophobicContact CG-CB 4.48Å; L41-D63 VanDerWaalsContact CG-OD1 3.3Å; L41-D63 WeakPolarHBondContact CG-OD1 3.31Å; L41-D63 PolarHBondContact N-OD1 2.88Å
42	L	84.4	Confident	81.4	Confident	150 Å²	150	63.7 Å²	63.7	79%	0.785	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.8	175.8	-68.7	176.1	0	0	0	112.5	S39	S39-L42 VanDerWaalsContact OG-CB 3.31Å; S39-L42 WeakPolarHBondContact OG-CB 3.3Å; S39-L42 WeakPolarHBondContact OG-CD1 3.35Å; S39-L42 WeakPolarHBondContact OG-CG 3.22Å; S39-L42 PolarHBondContact OG-N 3.06Å
43	N	82.3	Confident	82.8	Confident	93 Å²	93	61.4 Å²	61.4	50%	0.497	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	5.2	-171	-68.5	-51.1	0	0	0	115	S39 C40 L41 Y48	S39-N43 PolarHBondContact O-ND2 3.46Å; C40-N43 PolarHBondContact O-N 3.08Å; L41-N43 PolarHBondContact O-N 2.86Å; N43-Y48 HydrophobicContact CB-CD1 4.25Å; N43-Y48 HydrophobicContact CB-CD2 3.23Å; N43-Y48 HydrophobicContact CB-CE1 4.46Å; N43-Y48 HydrophobicContact CB-CE2 3.46Å; N43-Y48 VanDerWaalsContact CB-CE2 3.46Å; N43-Y48 HydrophobicContact CB-CG 3.65Å
44	G	81.5	Confident	83.7	Confident	47 Å²	47	65.2 Å²	65.2	49%	0.485	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	117.9	12.4	171.9	0	0	0	0	0	116.7	C40	C40-G44 PolarHBondContact O-N 3.49Å
45	G	87.5	Confident	84.2	Confident	9 Å²	9	69.4 Å²	69.4	9%	0.093	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	-138.1	173.8	0	0	0	0	0	113.4	C40 L47 Y48 C49	C40-G45 WeakPolarHBondContact O-CA 3.5Å; C40-G45 PolarHBondContact O-N 3.26Å; G45-L47 PolarHBondContact O-N 3.22Å; G45-Y48 VanDerWaalsContact O-CB 3.31Å; G45-Y48 WeakPolarHBondContact O-CB 3.08Å; G45-Y48 PolarHBondContact O-N 2.91Å; G45-C49 PolarHBondContact O-N 2.03Å
46	D	84.6	Confident	84.7	Confident	44 Å²	44	69.2 Å²	69.2	24%	0.235	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-34.8	-176.4	-60.2	-39.6	0	0	0	112.9	Y48 C49 Q50 C58 N709	D46-Y48 VanDerWaalsContact C-N 3.29Å; D46-Y48 PolarHBondContact O-N 3.43Å; D46-C49 PolarHBondContact O-N 3.41Å; D46-Q50 WeakPolarHBondContact O-CB 3.49Å; D46-Q50 WeakPolarHBondContact O-CG 3.36Å; D46-Q50 PolarHBondContact O-N 2.82Å; D46-C58 PolarHBondContact OD1-N 3.11Å; D46-N709 PolarHBondContact OD2-ND2 3.35Å
47	L	84.4	Confident	85.3	Confident	130 Å²	130	65.3 Å²	65.3	68%	0.681	33%	0.328	S	S	*	.	H	α-helix	trans	-60.6	-36.2	176	-80	154.8	0	0	0	112.5	G45 K51	G45-L47 PolarHBondContact O-N 3.22Å; L47-K51 WeakPolarHBondContact O-CB 3.42Å; L47-K51 PolarHBondContact O-N 3.02Å; L47-K51 VanDerWaalsContact O-N 3.14Å
48	Y	88.4	Confident	85.7	Confident	36 Å²	36	64 Å²	64	14%	0.141	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-51.1	174.5	174.8	-99.1	0	0	0	110.5	L37 C40 N43 G45 D46 K51 Y52	L37-Y48 HydrophobicContact CB-CE1 3.9Å; L37-Y48 HydrophobicContact CD1-CE1 4.36Å; L37-Y48 PolarHBondContact O-OH 3.4Å; C40-Y48 HydrophobicContact CB-CD1 3.95Å; N43-Y48 HydrophobicContact CB-CD1 4.25Å; N43-Y48 HydrophobicContact CB-CD2 3.23Å; N43-Y48 HydrophobicContact CB-CE1 4.46Å; N43-Y48 HydrophobicContact CB-CE2 3.46Å; N43-Y48 VanDerWaalsContact CB-CE2 3.46Å; N43-Y48 HydrophobicContact CB-CG 3.65Å; G45-Y48 VanDerWaalsContact O-CB 3.31Å; G45-Y48 WeakPolarHBondContact O-CB 3.08Å; G45-Y48 PolarHBondContact O-N 2.91Å; D46-Y48 VanDerWaalsContact C-N 3.29Å; D46-Y48 PolarHBondContact O-N 3.43Å; Y48-K51 PolarHBondContact O-N 3.2Å; Y48-Y52 AromaticContact CD2-CD2 4Å; Y48-Y52 HydrophobicContact CD2-CD2 4Å; Y48-Y52 AromaticContact CD2-CE2 3.59Å; Y48-Y52 HydrophobicContact CD2-CE2 3.59Å; Y48-Y52 HydrophobicContact CE1-CD2 4.41Å; Y48-Y52 AromaticContact CE2-CD2 3.83Å; Y48-Y52 HydrophobicContact CE2-CD2 3.83Å; Y48-Y52 AromaticContact CE2-CE2 3.31Å; Y48-Y52 HydrophobicContact CE2-CE2 3.31Å; Y48-Y52 HydrophobicContact CG-CD2 4.39Å; Y48-Y52 HydrophobicContact CG-CE2 4.41Å; Y48-Y52 AromaticContact CZ-CE2 3.9Å; Y48-Y52 VanDerWaalsContact O-CD2 3.28Å; Y48-Y52 WeakPolarHBondContact O-CD2 3.48Å; Y48-Y52 PolarHBondContact O-N 3.33Å
49	C	89.1	Confident	85.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-52.4	-179.5	-58.3	0	0	0	0	111.4	C40 G45 D46 K51 Y52 R53 S56 F57 C58 C65	C40-C49 VanDerWaalsContact CB-SG 3.59Å; G45-C49 PolarHBondContact O-N 2.03Å; D46-C49 PolarHBondContact O-N 3.41Å; C49-K51 VanDerWaalsContact C-N 3.28Å; C49-K51 PolarHBondContact O-N 2.99Å; C49-Y52 PolarHBondContact O-N 3.09Å; C49-R53 PolarHBondContact O-N 3.11Å; C49-R53 VanDerWaalsContact O-O 3.12Å; C49-S56 VanDerWaalsContact CB-OG 3.27Å; C49-S56 WeakPolarHBondContact CB-OG 3.29Å; C49-S56 PolarHBondContact O-OG 3.49Å; C49-S56 VanDerWaalsContact O-OG 3.05Å; C49-F57 VanDerWaalsContact SG-C 3.58Å; C49-C58 VanDerWaalsContact SG-CA 3.51Å; C49-C58 VanDerWaalsContact SG-CB 3.59Å; C49-C65 WeakPolarHBondContact CA-SG 3.33Å; C49-C65 HydrophobicContact CB-CB 3.64Å; C49-C65 WeakPolarHBondContact CB-SG 3.37Å; C49-C65 VanDerWaalsContact SG-CA 3.52Å; C49-C65 WeakPolarHBondContact SG-CB 3.39Å; C49-C65 CovalentContact SG-SG 2.03Å; C49-C65 PolarHBondContact SG-SG 2.81Å
50	Q	85.4	Confident	85.6	Confident	99 Å²	99	66.2 Å²	66.2	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-30.3	-178.7	-68.8	179.1	10.6	0	0	113.5	D46 R53 S56	D46-Q50 WeakPolarHBondContact O-CB 3.49Å; D46-Q50 WeakPolarHBondContact O-CG 3.36Å; D46-Q50 PolarHBondContact O-N 2.82Å; Q50-R53 WeakPolarHBondContact CA-O 3.45Å; Q50-S56 WeakPolarHBondContact CG-O 3.24Å; Q50-S56 PolarHBondContact NE2-O 2.65Å
51	K	85.2	Confident	84.9	Confident	161 Å²	161	70.8 Å²	70.8	70%	0.7	34%	0.343	S	S	*	.	H	α-helix	trans	-64.4	-40.7	175.1	178.8	-176.6	179	-173.5	0	112.5	L47 Y48 C49	L47-K51 WeakPolarHBondContact O-CB 3.42Å; L47-K51 PolarHBondContact O-N 3.02Å; L47-K51 VanDerWaalsContact O-N 3.14Å; Y48-K51 PolarHBondContact O-N 3.2Å; C49-K51 VanDerWaalsContact C-N 3.28Å; C49-K51 PolarHBondContact O-N 2.99Å
52	Y	83.5	Confident	84.6	Confident	107 Å²	107	69.9 Å²	69.9	42%	0.42	34%	0.336	S	S	.	.	H	α-helix	trans	-92	-32.6	-179	-69.6	-72.2	0	0	0	113.1	Y48 C49	Y48-Y52 AromaticContact CD2-CD2 4Å; Y48-Y52 HydrophobicContact CD2-CD2 4Å; Y48-Y52 AromaticContact CD2-CE2 3.59Å; Y48-Y52 HydrophobicContact CD2-CE2 3.59Å; Y48-Y52 HydrophobicContact CE1-CD2 4.41Å; Y48-Y52 AromaticContact CE2-CD2 3.83Å; Y48-Y52 HydrophobicContact CE2-CD2 3.83Å; Y48-Y52 AromaticContact CE2-CE2 3.31Å; Y48-Y52 HydrophobicContact CE2-CE2 3.31Å; Y48-Y52 HydrophobicContact CG-CD2 4.39Å; Y48-Y52 HydrophobicContact CG-CE2 4.41Å; Y48-Y52 AromaticContact CZ-CE2 3.9Å; Y48-Y52 VanDerWaalsContact O-CD2 3.28Å; Y48-Y52 WeakPolarHBondContact O-CD2 3.48Å; Y48-Y52 PolarHBondContact O-N 3.33Å; C49-Y52 PolarHBondContact O-N 3.09Å
53	R	84.7	Confident	84.6	Confident	33 Å²	33	65 Å²	65	13%	0.125	31%	0.311	C	S	.	.	S	Bend	trans	-137	105.8	-174.3	-55.1	-63.3	175.8	-113	0.9	109.1	L35 L37 C49 Q50 S56 W81 Y82	L35-R53 HydrophobicContact CD1-CB 3.96Å; L35-R53 HydrophobicContact CD1-CG 4.1Å; L37-R53 HydrophobicContact CD1-CG 3.78Å; L37-R53 HydrophobicContact CD2-CG 4.32Å; L37-R53 HydrophobicContact CG-CG 4.47Å; C49-R53 PolarHBondContact O-N 3.11Å; C49-R53 VanDerWaalsContact O-O 3.12Å; Q50-R53 WeakPolarHBondContact CA-O 3.45Å; R53-S56 WeakPolarHBondContact O-CB 3.5Å; R53-S56 PolarHBondContact O-N 2.73Å; R53-S56 PolarHBondContact O-OG 3.45Å; R53-W81 VanDerWaalsContact NH1-CE3 3.27Å; R53-W81 VanDerWaalsContact NH2-CG 3.33Å; R53-Y82 WeakPolarHBondContact CD-O 3.21Å; R53-Y82 PolarHBondContact NE-O 3.4Å
54	R	82.5	Confident	84.8	Confident	136 Å²	136	63.9 Å²	63.9	51%	0.513	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	145.3	171.8	-64.7	-178.3	179.5	-173	-3.2	109.4	N148	R54-N148 PolarHBondContact NH1-O 2.83Å; R54-N148 PolarHBondContact NH2-OD1 2.86Å
55	Y	86	Confident	85.1	Confident	109 Å²	109	61.6 Å²	61.6	43%	0.427	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	39.5	-178.2	-42.8	-69	0	0	0	115	L68 Y71	Y55-L68 WeakPolarHBondContact O-CG 3.48Å; Y55-L68 PolarHBondContact O-N 3.24Å; Y55-Y71 AromaticContact CD1-CE1 3.86Å; Y55-Y71 HydrophobicContact CD1-CE1 3.86Å; Y55-Y71 HydrophobicContact CD1-CE2 4.2Å; Y55-Y71 AromaticContact CD1-CZ 3.6Å; Y55-Y71 WeakPolarHBondContact CD1-OH 3.23Å; Y55-Y71 AromaticContact CD2-CD1 3.96Å; Y55-Y71 HydrophobicContact CD2-CD1 3.96Å; Y55-Y71 AromaticContact CD2-CE1 3.41Å; Y55-Y71 HydrophobicContact CD2-CE1 3.41Å; Y55-Y71 VanDerWaalsContact CD2-CE1 3.41Å; Y55-Y71 HydrophobicContact CE1-CE1 4.38Å; Y55-Y71 AromaticContact CE2-CE1 3.99Å; Y55-Y71 HydrophobicContact CE2-CE1 3.99Å; Y55-Y71 AromaticContact CG-CD1 3.84Å; Y55-Y71 HydrophobicContact CG-CD1 3.84Å; Y55-Y71 AromaticContact CG-CE1 3.33Å; Y55-Y71 HydrophobicContact CG-CE1 3.33Å; Y55-Y71 HydrophobicContact CG-CE2 4.23Å; Y55-Y71 HydrophobicContact CG-CG 4.49Å; Y55-Y71 AromaticContact CG-CZ 3.57Å
56	S	88.9	Confident	85.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	166.2	172.6	69.3	0	0	0	0	113.1	L35 C49 Q50 R53 F66	L35-S56 VanDerWaalsContact CD1-CB 3.4Å; C49-S56 VanDerWaalsContact CB-OG 3.27Å; C49-S56 WeakPolarHBondContact CB-OG 3.29Å; C49-S56 PolarHBondContact O-OG 3.49Å; C49-S56 VanDerWaalsContact O-OG 3.05Å; Q50-S56 WeakPolarHBondContact CG-O 3.24Å; Q50-S56 PolarHBondContact NE2-O 2.65Å; R53-S56 WeakPolarHBondContact O-CB 3.5Å; R53-S56 PolarHBondContact O-N 2.73Å; R53-S56 PolarHBondContact O-OG 3.45Å; S56-F66 CarbonylContact C-O 3.54Å; S56-F66 WeakPolarHBondContact CA-O 3.35Å; S56-F66 WeakPolarHBondContact CB-O 3.46Å
57	F	90.3	Very high	85.5	Confident	41 Å²	41	59.3 Å²	59.3	18%	0.18	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.6	175.7	75.9	-82.1	0	0	0	110.6	C49 C65 F66 C67 L68	C49-F57 VanDerWaalsContact SG-C 3.58Å; F57-C65 CarbonylContact O-C 3.52Å; F57-C65 VanDerWaalsContact O-CA 3.31Å; F57-C65 WeakPolarHBondContact O-CA 3.48Å; F57-F66 HydrophobicContact CD1-CB 4.13Å; F57-F66 WeakPolarHBondContact CD1-O 3.4Å; F57-F66 HydrophobicContact CE1-CB 3.59Å; F57-F66 HydrophobicContact CZ-CB 3.81Å; F57-F66 PolarHBondContact N-O 2.96Å; F57-F66 PolarHBondContact O-N 3.35Å; F57-C67 WeakPolarHBondContact CE1-O 3.41Å; F57-L68 HydrophobicContact CB-CD2 4.03Å; F57-L68 HydrophobicContact CD1-CD2 4.01Å; F57-L68 HydrophobicContact CG-CD2 4.37Å
58	C	89.3	Confident	85.5	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.034	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.6	176.9	177.9	0	0	0	0	110.1	C40 D46 C49 I60	C40-C58 HydrophobicContact CB-CB 3.74Å; C40-C58 WeakPolarHBondContact CB-SG 3.48Å; C40-C58 WeakPolarHBondContact SG-CA 3.42Å; C40-C58 WeakPolarHBondContact SG-CB 3.49Å; C40-C58 CovalentContact SG-SG 2.03Å; C40-C58 PolarHBondContact SG-SG 2.91Å; D46-C58 PolarHBondContact OD1-N 3.11Å; C49-C58 VanDerWaalsContact SG-CA 3.51Å; C49-C58 VanDerWaalsContact SG-CB 3.59Å; C58-I60 PolarHBondContact O-N 3.41Å
59	S	85.6	Confident	85.1	Confident	10 Å²	10	58.6 Å²	58.6	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	103.5	174	-177.7	0	0	0	0	109.6	K61 H62 D63 E64 F66	S59-K61 PolarHBondContact O-N 3.1Å; S59-H62 PolarHBondContact O-N 3.34Å; S59-D63 PolarHBondContact O-N 3.4Å; S59-E64 PolarHBondContact N-O 3.28Å; S59-F66 VanDerWaalsContact CB-CE2 3.42Å
60	I	80.3	Confident	84.6	Confident	98 Å²	98	61.8 Å²	61.8	50%	0.503	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.3	179.8	-53.7	174.9	0	0	0	112	L41 C58	L41-I60 HydrophobicContact CD1-CG2 4.32Å; L41-I60 HydrophobicContact CD2-CB 4.39Å; L41-I60 HydrophobicContact CD2-CG1 4.22Å; L41-I60 HydrophobicContact CD2-CG2 4.23Å; C58-I60 PolarHBondContact O-N 3.41Å
61	K	72.9	Confident	84.7	Confident	97 Å²	97	59.2 Å²	59.2	42%	0.422	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-40.1	179.3	-176.1	-157	162	-154.7	0	112.7	S59 S524 I526	S59-K61 PolarHBondContact O-N 3.1Å; K61-S524 WeakPolarHBondContact CD-O 3.29Å; K61-I526 VanDerWaalsContact NZ-N 3.14Å
62	H	78.8	Confident	84.9	Confident	62 Å²	62	51.7 Å²	51.7	29%	0.287	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-13.1	-173.2	-70.3	-107.4	0	0	0	113	D31 S59 E64 F66	D31-H62 IonicContact OD2-CE1 3.31Å; S59-H62 PolarHBondContact O-N 3.34Å; H62-E64 HydrophobicContact CB-CB 4.4Å; H62-E64 PolarHBondContact O-N 2.88Å; H62-F66 HydrophobicContact CB-CE2 3.76Å; H62-F66 HydrophobicContact CB-CZ 3.98Å; H62-F66 AromaticContact CG-CZ 3.89Å
63	D	84.9	Confident	85.1	Confident	49 Å²	49	47.2 Å²	47.2	26%	0.262	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	30.8	-170.4	-164.6	17.2	0	0	0	112.9	S39 C40 L41 S59	S39-D63 WeakPolarHBondContact CA-O 3.49Å; S39-D63 WeakPolarHBondContact CA-OD1 3.4Å; S39-D63 VanDerWaalsContact CB-OD2 3.24Å; S39-D63 WeakPolarHBondContact CB-OD2 3.02Å; S39-D63 PolarHBondContact OG-OD1 3.36Å; S39-D63 PolarHBondContact OG-OD2 3.35Å; C40-D63 PolarHBondContact N-O 2.84Å; C40-D63 VanDerWaalsContact N-O 3.08Å; C40-D63 PolarHBondContact N-OD1 3.35Å; C40-D63 VanDerWaalsContact SG-C 3.54Å; L41-D63 WeakPolarHBondContact CB-OD1 3.27Å; L41-D63 HydrophobicContact CD1-CB 4.13Å; L41-D63 HydrophobicContact CG-CB 4.48Å; L41-D63 VanDerWaalsContact CG-OD1 3.3Å; L41-D63 WeakPolarHBondContact CG-OD1 3.31Å; L41-D63 PolarHBondContact N-OD1 2.88Å; S59-D63 PolarHBondContact O-N 3.4Å
64	E	86	Confident	85.2	Confident	68 Å²	68	46.4 Å²	46.4	32%	0.318	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.9	-179.4	-74.5	178.8	-169.8	0	0	110.5	S34 C40 S59 H62 F66	S34-E64 PolarHBondContact OG-OE2 3.29Å; C40-E64 PolarHBondContact SG-N 2.85Å; C40-E64 PolarHBondContact SG-O 2.83Å; C40-E64 VanDerWaalsContact SG-O 3.34Å; S59-E64 PolarHBondContact N-O 3.28Å; H62-E64 HydrophobicContact CB-CB 4.4Å; H62-E64 PolarHBondContact O-N 2.88Å; E64-F66 HydrophobicContact CB-CD2 4.46Å; E64-F66 HydrophobicContact CB-CE2 3.83Å; E64-F66 WeakPolarHBondContact O-CD2 3.5Å
65	C	89.3	Confident	85.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.1	175.6	-63.2	0	0	0	0	111.5	L35 L37 C40 C49 F57	L35-C65 HydrophobicContact CB-CB 4.3Å; L35-C65 WeakPolarHBondContact CB-O 3.48Å; L35-C65 HydrophobicContact CD1-CB 4.05Å; L35-C65 PolarHBondContact N-O 3.43Å; L37-C65 HydrophobicContact CD1-CB 3.92Å; L37-C65 HydrophobicContact CG-CB 4.39Å; C40-C65 VanDerWaalsContact CB-SG 3.56Å; C49-C65 WeakPolarHBondContact CA-SG 3.33Å; C49-C65 HydrophobicContact CB-CB 3.64Å; C49-C65 WeakPolarHBondContact CB-SG 3.37Å; C49-C65 VanDerWaalsContact SG-CA 3.52Å; C49-C65 WeakPolarHBondContact SG-CB 3.39Å; C49-C65 CovalentContact SG-SG 2.03Å; C49-C65 PolarHBondContact SG-SG 2.81Å; F57-C65 CarbonylContact O-C 3.52Å; F57-C65 VanDerWaalsContact O-CA 3.31Å; F57-C65 WeakPolarHBondContact O-CA 3.48Å
66	F	89.3	Confident	85.2	Confident	5 Å²	5	40 Å²	40	2%	0.022	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.6	179.7	-73.2	-109.1	0	0	0	111	D31 Q33 S56 F57 S59 H62 E64	D31-F66 HydrophobicContact CB-CE1 4.1Å; Q33-F66 HydrophobicContact CB-CB 4.38Å; Q33-F66 HydrophobicContact CB-CD1 3.76Å; Q33-F66 CarbonylContact O-C 3.54Å; Q33-F66 WeakPolarHBondContact O-CA 3.42Å; S56-F66 CarbonylContact C-O 3.54Å; S56-F66 WeakPolarHBondContact CA-O 3.35Å; S56-F66 WeakPolarHBondContact CB-O 3.46Å; F57-F66 HydrophobicContact CD1-CB 4.13Å; F57-F66 WeakPolarHBondContact CD1-O 3.4Å; F57-F66 HydrophobicContact CE1-CB 3.59Å; F57-F66 HydrophobicContact CZ-CB 3.81Å; F57-F66 PolarHBondContact N-O 2.96Å; F57-F66 PolarHBondContact O-N 3.35Å; S59-F66 VanDerWaalsContact CB-CE2 3.42Å; H62-F66 HydrophobicContact CB-CE2 3.76Å; H62-F66 HydrophobicContact CB-CZ 3.98Å; H62-F66 AromaticContact CG-CZ 3.89Å; E64-F66 HydrophobicContact CB-CD2 4.46Å; E64-F66 HydrophobicContact CB-CE2 3.83Å; E64-F66 WeakPolarHBondContact O-CD2 3.5Å
67	C	89.9	Confident	84.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	143.1	169.8	-64.7	0	0	0	0	112.6	Q33 F57 C84	Q33-C67 PolarHBondContact O-N 3.09Å; F57-C67 WeakPolarHBondContact CE1-O 3.41Å; C67-C84 WeakPolarHBondContact CA-SG 3.25Å; C67-C84 HydrophobicContact CB-CB 3.82Å; C67-C84 WeakPolarHBondContact CB-SG 3.24Å; C67-C84 WeakPolarHBondContact SG-CA 3.2Å; C67-C84 WeakPolarHBondContact SG-CB 3.3Å; C67-C84 CovalentContact SG-SG 2.05Å; C67-C84 PolarHBondContact SG-SG 3.27Å
68	L	85.4	Confident	83.6	Confident	55 Å²	55	51 Å²	51	29%	0.288	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-60.8	157.5	174.6	-73.5	175.6	0	0	0	111.7	Y55 F57 N70 Y71	Y55-L68 WeakPolarHBondContact O-CG 3.48Å; Y55-L68 PolarHBondContact O-N 3.24Å; F57-L68 HydrophobicContact CB-CD2 4.03Å; F57-L68 HydrophobicContact CD1-CD2 4.01Å; F57-L68 HydrophobicContact CG-CD2 4.37Å; L68-N70 PolarHBondContact O-N 3.09Å; L68-Y71 HydrophobicContact CB-CD2 4.07Å; L68-Y71 WeakPolarHBondContact O-CB 3.09Å; L68-Y71 PolarHBondContact O-N 3.41Å
69	P	80.1	Confident	82.7	Confident	96 Å²	96	54.2 Å²	54.2	62%	0.623	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	141.1	171.5	-27.1	35.4	0	0	0	112.4	Y71	P69-Y71 WeakPolarHBondContact O-CD2 3.43Å; P69-Y71 PolarHBondContact O-N 2.85Å
70	N	79.5	Confident	82.3	Confident	67 Å²	67	57.9 Å²	57.9	36%	0.358	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	8.6	-171	-49.6	-7.2	0	0	0	115.3	L68 L87 N252	L68-N70 PolarHBondContact O-N 3.09Å; N70-L87 PolarHBondContact O-N 2.76Å; N70-N252 PolarHBondContact ND2-OD1 2.85Å; N70-N252 PolarHBondContact OD1-OD1 3.03Å
71	Y	86.9	Confident	82.3	Confident	45 Å²	45	56.8 Å²	56.8	18%	0.176	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	149.4	168	-63.9	-105.2	0	0	0	110.8	Y55 L68 P69 C84 K85 P86	Y55-Y71 AromaticContact CD1-CE1 3.86Å; Y55-Y71 HydrophobicContact CD1-CE1 3.86Å; Y55-Y71 HydrophobicContact CD1-CE2 4.2Å; Y55-Y71 AromaticContact CD1-CZ 3.6Å; Y55-Y71 WeakPolarHBondContact CD1-OH 3.23Å; Y55-Y71 AromaticContact CD2-CD1 3.96Å; Y55-Y71 HydrophobicContact CD2-CD1 3.96Å; Y55-Y71 AromaticContact CD2-CE1 3.41Å; Y55-Y71 HydrophobicContact CD2-CE1 3.41Å; Y55-Y71 VanDerWaalsContact CD2-CE1 3.41Å; Y55-Y71 HydrophobicContact CE1-CE1 4.38Å; Y55-Y71 AromaticContact CE2-CE1 3.99Å; Y55-Y71 HydrophobicContact CE2-CE1 3.99Å; Y55-Y71 AromaticContact CG-CD1 3.84Å; Y55-Y71 HydrophobicContact CG-CD1 3.84Å; Y55-Y71 AromaticContact CG-CE1 3.33Å; Y55-Y71 HydrophobicContact CG-CE1 3.33Å; Y55-Y71 HydrophobicContact CG-CE2 4.23Å; Y55-Y71 HydrophobicContact CG-CG 4.49Å; Y55-Y71 AromaticContact CG-CZ 3.57Å; L68-Y71 HydrophobicContact CB-CD2 4.07Å; L68-Y71 WeakPolarHBondContact O-CB 3.09Å; L68-Y71 PolarHBondContact O-N 3.41Å; P69-Y71 WeakPolarHBondContact O-CD2 3.43Å; P69-Y71 PolarHBondContact O-N 2.85Å; Y71-C84 HydrophobicContact CD1-CB 4.42Å; Y71-K85 CarbonylContact C-O 3.41Å; Y71-K85 VanDerWaalsContact CA-O 3.25Å; Y71-K85 WeakPolarHBondContact CA-O 3.31Å; Y71-P86 HydrophobicContact CD1-CB 4.08Å; Y71-P86 HydrophobicContact CE1-CB 3.8Å; Y71-P86 HydrophobicContact CE1-CG 4.37Å
72	V	88	Confident	82.8	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.4	179.3	-62.4	0	0	0	0	110.7	V74 C84 K85 L87 V111 V115	V72-V74 HydrophobicContact CG2-CG2 4.24Å; V72-V74 PolarHBondContact O-N 3.03Å; V72-C84 WeakPolarHBondContact O-CA 3.26Å; V72-K85 PolarHBondContact N-O 3.09Å; V72-K85 PolarHBondContact O-N 3.19Å; V72-L87 HydrophobicContact CG1-CD1 4.39Å; V72-L87 HydrophobicContact CG1-CD2 3.68Å; V72-L87 HydrophobicContact CG1-CG 3.96Å; V72-L87 HydrophobicContact CG2-CD2 4.32Å; V72-V111 HydrophobicContact CG1-CB 4.22Å; V72-V111 HydrophobicContact CG1-CG1 4.21Å; V72-V111 HydrophobicContact CG1-CG2 3.75Å; V72-V115 HydrophobicContact CG2-CB 4.26Å; V72-V115 HydrophobicContact CG2-CG2 3.74Å
73	S	88.2	Confident	83.2	Confident	12 Å²	12	54 Å²	54	8%	0.084	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.3	178	68.4	0	0	0	0	110.7	F32 T83 H108	F32-S73 PolarHBondContact O-N 2.94Å; F32-S73 PolarHBondContact O-OG 3.12Å; S73-T83 CarbonylContact C-O 3.57Å; S73-T83 VanDerWaalsContact CA-O 3.29Å; S73-T83 WeakPolarHBondContact CA-O 3.41Å; S73-H108 PolarHBondContact O-NE2 3.11Å
74	V	87.5	Confident	83.4	Confident	17 Å²	17	52.2 Å²	52.2	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123	174.7	180	0	0	0	0	108.9	V72 E76 T83 K85 V115	V72-V74 HydrophobicContact CG2-CG2 4.24Å; V72-V74 PolarHBondContact O-N 3.03Å; V74-E76 PolarHBondContact O-N 3.16Å; V74-T83 PolarHBondContact N-O 3.23Å; V74-T83 PolarHBondContact O-N 3.37Å; V74-T83 PolarHBondContact O-OG1 3.42Å; V74-K85 HydrophobicContact CB-CD 4.02Å; V74-K85 HydrophobicContact CB-CG 4.13Å; V74-K85 HydrophobicContact CG1-CD 4.24Å; V74-K85 HydrophobicContact CG2-CB 4.05Å; V74-K85 HydrophobicContact CG2-CD 4.05Å; V74-K85 HydrophobicContact CG2-CG 4.07Å; V74-V115 HydrophobicContact CG2-CG1 4.49Å; V74-V115 HydrophobicContact CG2-CG2 3.98Å
75	Y	85.7	Confident	83.5	Confident	108 Å²	108	49.1 Å²	49.1	42%	0.424	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	122.4	176.9	-174.8	-99.9	0	0	0	110.6	S80 Y82 S118	Y75-S80 WeakPolarHBondContact OH-CA 3.2Å; Y75-Y82 HydrophobicContact CD2-CD1 4.23Å; Y75-Y82 HydrophobicContact CD2-CD2 4.11Å; Y75-Y82 HydrophobicContact CD2-CE1 4.06Å; Y75-Y82 AromaticContact CD2-CE2 3.92Å; Y75-Y82 HydrophobicContact CD2-CE2 3.92Å; Y75-Y82 HydrophobicContact CD2-CG 4.26Å; Y75-Y82 AromaticContact CD2-CZ 3.89Å; Y75-Y82 HydrophobicContact CE2-CE2 4.49Å; Y75-Y82 HydrophobicContact CG-CE1 4.41Å; Y75-S118 WeakPolarHBondContact O-CB 3.48Å; Y75-S118 PolarHBondContact O-OG 3.36Å
76	E	83.2	Confident	83.4	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.7	177.1	-65.6	-70.5	-160.2	0	0	111.8	V74 D79 S80 W81 T83 K85 S118 G119 R132	V74-E76 PolarHBondContact O-N 3.16Å; E76-D79 HydrophobicContact CB-CB 3.71Å; E76-D79 PolarHBondContact O-N 3.49Å; E76-S80 WeakPolarHBondContact O-CA 3.43Å; E76-S80 PolarHBondContact O-N 3.46Å; E76-W81 PolarHBondContact N-O 3.01Å; E76-T83 HydrophobicContact CG-CG2 3.37Å; E76-K85 WeakPolarHBondContact OE1-CE 3.31Å; E76-K85 IonicContact OE1-NZ 3.74Å; E76-K85 PolarHBondContact OE1-NZ 3.23Å; E76-K85 IonicContact OE2-NZ 2.58Å; E76-S118 VanDerWaalsContact CA-OG 3.31Å; E76-S118 WeakPolarHBondContact CA-OG 3.5Å; E76-S118 WeakPolarHBondContact OE2-CA 3.35Å; E76-S118 WeakPolarHBondContact OE2-CB 3.47Å; E76-S118 PolarHBondContact OE2-OG 3.16Å; E76-G119 PolarHBondContact OE2-N 2.84Å; E76-R132 IonicContact OE1-CZ 3.15Å; E76-R132 IonicContact OE1-NH1 2.64Å; E76-R132 PolarHBondContact OE1-NH1 2.98Å; E76-R132 IonicContact OE1-NH2 2.76Å; E76-R132 PolarHBondContact OE1-NH2 2.95Å
77	M	75.1	Confident	83.3	Confident	143 Å²	143	50.9 Å²	50.9	70%	0.704	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-44.3	-175.5	-64.8	-170.6	-178.5	0	0	113.2	D79 S118	M77-D79 PolarHBondContact O-N 2.84Å; M77-S118 PolarHBondContact N-OG 3.14Å
78	N	70.6	Confident	83.2	Confident	127 Å²	127	50.9 Å²	50.9	68%	0.679	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.9	-179	-65.7	-11.2	0	0	0	112.9
79	D	70	Confident	82.8	Confident	74 Å²	74	48.6 Å²	48.6	40%	0.396	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-25.1	-169.1	-107.8	-47.9	0	0	0	111.3	E76 M77 W81	E76-D79 HydrophobicContact CB-CB 3.71Å; E76-D79 PolarHBondContact O-N 3.49Å; M77-D79 PolarHBondContact O-N 2.84Å; D79-W81 VanDerWaalsContact C-N 3.33Å; D79-W81 HydrophobicContact CB-CD2 4.29Å; D79-W81 HydrophobicContact CB-CG 4.19Å; D79-W81 HydrophobicContact CB-CZ2 4.46Å; D79-W81 VanDerWaalsContact CB-NE1 3.26Å; D79-W81 PolarHBondContact OD1-NE1 2.82Å
80	S	76.1	Confident	82.6	Confident	86 Å²	86	46 Å²	46	60%	0.601	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	25.3	-174.1	69.8	0	0	0	0	115.6	Y75 E76	Y75-S80 WeakPolarHBondContact OH-CA 3.2Å; E76-S80 WeakPolarHBondContact O-CA 3.43Å; E76-S80 PolarHBondContact O-N 3.46Å
81	W	80.3	Confident	82.4	Confident	75 Å²	75	43.1 Å²	43.1	28%	0.284	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.5	177.6	52.6	-93.6	0	0	0	114.8	R53 E76 D79 T83	R53-W81 VanDerWaalsContact NH1-CE3 3.27Å; R53-W81 VanDerWaalsContact NH2-CG 3.33Å; E76-W81 PolarHBondContact N-O 3.01Å; D79-W81 VanDerWaalsContact C-N 3.33Å; D79-W81 HydrophobicContact CB-CD2 4.29Å; D79-W81 HydrophobicContact CB-CG 4.19Å; D79-W81 HydrophobicContact CB-CZ2 4.46Å; D79-W81 VanDerWaalsContact CB-NE1 3.26Å; D79-W81 PolarHBondContact OD1-NE1 2.82Å; W81-T83 HydrophobicContact CE3-CG2 3.73Å; W81-T83 HydrophobicContact CH2-CG2 3.77Å; W81-T83 HydrophobicContact CZ3-CG2 3.24Å
82	Y	84.3	Confident	82	Confident	89 Å²	89	48.2 Å²	48.2	35%	0.349	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.6	176	-66.4	-88	0	0	0	112.1	L35 R53 Y75	L35-Y82 WeakPolarHBondContact CD2-O 2.99Å; R53-Y82 WeakPolarHBondContact CD-O 3.21Å; R53-Y82 PolarHBondContact NE-O 3.4Å; Y75-Y82 HydrophobicContact CD2-CD1 4.23Å; Y75-Y82 HydrophobicContact CD2-CD2 4.11Å; Y75-Y82 HydrophobicContact CD2-CE1 4.06Å; Y75-Y82 AromaticContact CD2-CE2 3.92Å; Y75-Y82 HydrophobicContact CD2-CE2 3.92Å; Y75-Y82 HydrophobicContact CD2-CG 4.26Å; Y75-Y82 AromaticContact CD2-CZ 3.89Å; Y75-Y82 HydrophobicContact CE2-CE2 4.49Å; Y75-Y82 HydrophobicContact CG-CE1 4.41Å
83	T	86.8	Confident	81.8	Confident	11 Å²	11	48.3 Å²	48.3	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	159.2	168.4	53.2	0	0	0	0	111.4	S73 V74 E76 W81 K85	S73-T83 CarbonylContact C-O 3.57Å; S73-T83 VanDerWaalsContact CA-O 3.29Å; S73-T83 WeakPolarHBondContact CA-O 3.41Å; V74-T83 PolarHBondContact N-O 3.23Å; V74-T83 PolarHBondContact O-N 3.37Å; V74-T83 PolarHBondContact O-OG1 3.42Å; E76-T83 HydrophobicContact CG-CG2 3.37Å; W81-T83 HydrophobicContact CE3-CG2 3.73Å; W81-T83 HydrophobicContact CH2-CG2 3.77Å; W81-T83 HydrophobicContact CZ3-CG2 3.24Å; T83-K85 WeakPolarHBondContact OG1-CE 3.27Å
84	C	88.8	Confident	81.5	Confident	12 Å²	12	58.1 Å²	58.1	8%	0.081	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.4	164.5	-63.6	0	0	0	0	109.9	C67 Y71 V72	C67-C84 WeakPolarHBondContact CA-SG 3.25Å; C67-C84 HydrophobicContact CB-CB 3.82Å; C67-C84 WeakPolarHBondContact CB-SG 3.24Å; C67-C84 WeakPolarHBondContact SG-CA 3.2Å; C67-C84 WeakPolarHBondContact SG-CB 3.3Å; C67-C84 CovalentContact SG-SG 2.05Å; C67-C84 PolarHBondContact SG-SG 3.27Å; Y71-C84 HydrophobicContact CD1-CB 4.42Å; V72-C84 WeakPolarHBondContact O-CA 3.26Å
85	K	88.9	Confident	81.2	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.017	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.3	175.9	-64.1	-163.3	-176.9	-163.5	0	110.7	Y71 V72 V74 E76 T83 V115 C116 P117 Y120	Y71-K85 CarbonylContact C-O 3.41Å; Y71-K85 VanDerWaalsContact CA-O 3.25Å; Y71-K85 WeakPolarHBondContact CA-O 3.31Å; V72-K85 PolarHBondContact N-O 3.09Å; V72-K85 PolarHBondContact O-N 3.19Å; V74-K85 HydrophobicContact CB-CD 4.02Å; V74-K85 HydrophobicContact CB-CG 4.13Å; V74-K85 HydrophobicContact CG1-CD 4.24Å; V74-K85 HydrophobicContact CG2-CB 4.05Å; V74-K85 HydrophobicContact CG2-CD 4.05Å; V74-K85 HydrophobicContact CG2-CG 4.07Å; E76-K85 WeakPolarHBondContact OE1-CE 3.31Å; E76-K85 IonicContact OE1-NZ 3.74Å; E76-K85 PolarHBondContact OE1-NZ 3.23Å; E76-K85 IonicContact OE2-NZ 2.58Å; T83-K85 WeakPolarHBondContact OG1-CE 3.27Å; K85-V115 HydrophobicContact CB-CG2 3.58Å; K85-C116 HydrophobicContact CD-CB 4.5Å; K85-C116 VanDerWaalsContact CD-O 3.29Å; K85-C116 WeakPolarHBondContact CD-O 3.47Å; K85-P117 PolarHBondContact NZ-O 3.04Å; K85-Y120 PolarHBondContact NZ-O 2.78Å
86	P	87.8	Confident	81.2	Confident	20 Å²	20	60.7 Å²	60.7	13%	0.13	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.3	179.6	28.8	-34.4	0	0	0	110.6	Y71 L88	Y71-P86 HydrophobicContact CD1-CB 4.08Å; Y71-P86 HydrophobicContact CE1-CB 3.8Å; Y71-P86 HydrophobicContact CE1-CG 4.37Å; P86-L88 HydrophobicContact CG-CD2 4.16Å
87	L	87.1	Confident	81	Confident	22 Å²	22	62.8 Å²	62.8	12%	0.115	31%	0.306	C	S	.	.			trans	-64.2	135.4	159.6	-69.9	175.4	0	0	0	108.8	N70 V72 V111 N252	N70-L87 PolarHBondContact O-N 2.76Å; V72-L87 HydrophobicContact CG1-CD1 4.39Å; V72-L87 HydrophobicContact CG1-CD2 3.68Å; V72-L87 HydrophobicContact CG1-CG 3.96Å; V72-L87 HydrophobicContact CG2-CD2 4.32Å; L87-V111 HydrophobicContact CD1-CG1 4.21Å; L87-V111 HydrophobicContact CD2-CG1 4.16Å; L87-N252 HydrophobicContact CB-CB 4.38Å
88	L	86.4	Confident	81.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.			trans	-98.9	-12.2	-169.2	-60.5	-177.4	0	0	0	113.6	P86 I102 C114 F122 L253	P86-L88 HydrophobicContact CG-CD2 4.16Å; L88-I102 HydrophobicContact CB-CD1 3.72Å; L88-I102 HydrophobicContact CD1-CG2 3.94Å; L88-I102 WeakPolarHBondContact O-CD1 3.02Å; L88-C114 HydrophobicContact CB-CB 4.35Å; L88-C114 WeakPolarHBondContact CB-O 3.05Å; L88-C114 PolarHBondContact N-O 3.05Å; L88-F122 HydrophobicContact CD2-CB 3.95Å; L88-F122 HydrophobicContact CD2-CD1 3.55Å; L88-F122 HydrophobicContact CD2-CD2 4.16Å; L88-F122 HydrophobicContact CD2-CE1 4.04Å; L88-F122 HydrophobicContact CD2-CG 3.62Å; L88-L253 VanDerWaalsContact O-CD1 3.26Å; L88-L253 WeakPolarHBondContact O-CD1 3.43Å; L88-L253 WeakPolarHBondContact O-CD2 3.29Å; L88-L253 WeakPolarHBondContact O-CG 3.47Å
89	T	77.7	Confident	81.7	Confident	7 Å²	7	51 Å²	51	4%	0.043	25%	0.247	C	C	.	.			trans	-149.8	156.6	-179.3	53.6	0	0	0	0	110.4	L91 N252	T89-L91 HydrophobicContact CG2-CD1 4.49Å; T89-L91 PolarHBondContact OG1-O 2.94Å; T89-N252 PolarHBondContact O-ND2 3.3Å
90	D	75.9	Confident	82.2	Confident	42 Å²	42	50.5 Å²	50.5	23%	0.225	25%	0.249	C	C	.	.	S	Bend	trans	-80.5	-3.8	165.1	-70.4	1	0	0	0	112.3	K251 N252	D90-K251 VanDerWaalsContact CG-N 3.29Å; D90-K251 PolarHBondContact OD1-N 2.83Å; D90-K251 WeakPolarHBondContact OD2-CB 3.4Å; D90-K251 PolarHBondContact OD2-N 2.77Å; D90-N252 VanDerWaalsContact OD1-CB 3.3Å; D90-N252 WeakPolarHBondContact OD1-CB 3.34Å; D90-N252 VanDerWaalsContact OD1-CG 3.23Å; D90-N252 PolarHBondContact OD1-N 2.8Å; D90-N252 PolarHBondContact OD1-ND2 3.4Å
91	L	74.7	Confident	82.1	Confident	6 Å²	6	48 Å²	48	3%	0.031	23%	0.227	C	C	.	.	S	Bend	trans	-78.9	132.4	-178.6	-49.3	-179.5	0	0	0	109.8	T89 Y101 F259 F283	T89-L91 HydrophobicContact CG2-CD1 4.49Å; T89-L91 PolarHBondContact OG1-O 2.94Å; L91-Y101 HydrophobicContact CD1-CD2 3.58Å; L91-Y101 HydrophobicContact CD1-CE2 3.45Å; L91-Y101 VanDerWaalsContact CD1-CE2 3.45Å; L91-Y101 HydrophobicContact CD1-CG 4.31Å; L91-F259 HydrophobicContact CD1-CE1 4.05Å; L91-F259 HydrophobicContact CD1-CZ 4.25Å; L91-F259 HydrophobicContact CD2-CE1 4.29Å; L91-F259 HydrophobicContact CD2-CZ 4.31Å; L91-F283 WeakPolarHBondContact CD1-O 3.2Å; L91-F283 HydrophobicContact CD2-CB 3.95Å; L91-F283 HydrophobicContact CD2-CD2 3.77Å; L91-F283 HydrophobicContact CD2-CG 4.17Å
92	Y	80	Confident	82.1	Confident	151 Å²	151	44.5 Å²	44.5	59%	0.592	21%	0.214	S	C	*	.	B	Isolated β-bridge	trans	-80.3	130.8	172	-69.3	-80.6	0	0	0	110.2	G112	Y92-G112 CarbonylContact C-O 3.6Å; Y92-G112 WeakPolarHBondContact CA-O 3.4Å; Y92-G112 WeakPolarHBondContact CD1-O 3.41Å
93	C	83.2	Confident	82.1	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.034	22%	0.221	C	C	.	.			trans	-106.6	158.9	170.7	64.1	0	0	0	0	110.3	D98 C107 G112 G113	C93-D98 HydrophobicContact CB-CB 3.78Å; C93-C107 HydrophobicContact CB-CB 3.72Å; C93-C107 WeakPolarHBondContact CB-SG 3.35Å; C93-C107 PolarHBondContact O-SG 2.98Å; C93-C107 VanDerWaalsContact O-SG 3.41Å; C93-C107 WeakPolarHBondContact SG-CA 3.11Å; C93-C107 WeakPolarHBondContact SG-CB 3.41Å; C93-C107 CovalentContact SG-SG 2.03Å; C93-C107 PolarHBondContact SG-SG 3.46Å; C93-G112 PolarHBondContact N-O 2.93Å; C93-G112 CarbonylContact O-C 3.57Å; C93-G112 VanDerWaalsContact O-CA 3.31Å; C93-G112 WeakPolarHBondContact O-CA 3.34Å; C93-G113 VanDerWaalsContact SG-CA 3.57Å; C93-G113 PolarHBondContact SG-N 2.87Å
94	R	80.9	Confident	82	Confident	219 Å²	219	46.6 Å²	46.6	83%	0.826	24%	0.235	S	C	*	.	S	Bend	trans	-122.2	-28.1	167.8	-65.2	-179.6	175.8	-175	-2	111.9	D98	R94-D98 PolarHBondContact N-OD2 3.23Å
95	I	82.7	Confident	82	Confident	92 Å²	92	46.5 Å²	46.5	47%	0.472	23%	0.234	S	C	.	.	S	Bend	trans	-138	157.8	179	53.8	176.5	0	0	0	109.3	S97 D98	I95-S97 WeakPolarHBondContact CD1-OG 3.29Å; I95-S97 WeakPolarHBondContact CG1-OG 3.29Å; I95-S97 PolarHBondContact O-N 3.22Å; I95-S97 VanDerWaalsContact O-N 3.16Å; I95-D98 WeakPolarHBondContact CG1-OD2 2.97Å; I95-D98 PolarHBondContact N-OD2 2.68Å; I95-D98 VanDerWaalsContact N-OD2 3.09Å; I95-D98 WeakPolarHBondContact O-CB 3.48Å; I95-D98 PolarHBondContact O-N 3.31Å
96	D	84.7	Confident	82.1	Confident	87 Å²	87	49 Å²	49	47%	0.465	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-60.3	-29.6	-174.7	-62.1	-18.6	0	0	0	113.3	D98 C99 C107	D96-D98 PolarHBondContact O-N 3.4Å; D96-C99 WeakPolarHBondContact O-CB 3.48Å; D96-C99 PolarHBondContact O-N 2.99Å; D96-C107 WeakPolarHBondContact OD1-CB 3.43Å; D96-C107 PolarHBondContact OD1-N 2.82Å
97	S	79.5	Confident	82.2	Confident	46 Å²	46	48.5 Å²	48.5	32%	0.322	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-66	-18.2	175.9	61.9	0	0	0	0	114.2	I95 C99	I95-S97 WeakPolarHBondContact CD1-OG 3.29Å; I95-S97 WeakPolarHBondContact CG1-OG 3.29Å; I95-S97 PolarHBondContact O-N 3.22Å; I95-S97 VanDerWaalsContact O-N 3.16Å; S97-C99 PolarHBondContact O-N 3.48Å
98	D	77.6	Confident	82.3	Confident	15 Å²	15	48.1 Å²	48.1	8%	0.08	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-71.5	-22.9	173	-57.9	-31.7	0	0	0	111	C93 R94 I95 D96 S100	C93-D98 HydrophobicContact CB-CB 3.78Å; R94-D98 PolarHBondContact N-OD2 3.23Å; I95-D98 WeakPolarHBondContact CG1-OD2 2.97Å; I95-D98 PolarHBondContact N-OD2 2.68Å; I95-D98 VanDerWaalsContact N-OD2 3.09Å; I95-D98 WeakPolarHBondContact O-CB 3.48Å; I95-D98 PolarHBondContact O-N 3.31Å; D96-D98 PolarHBondContact O-N 3.4Å; D98-S100 PolarHBondContact O-N 3.29Å
99	C	83	Confident	82.1	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.054	28%	0.281	C	S	.	.			trans	-81.2	43.3	-179.5	-65.1	0	0	0	0	113.2	D96 S97 Y101 S105 C114	D96-C99 WeakPolarHBondContact O-CB 3.48Å; D96-C99 PolarHBondContact O-N 2.99Å; S97-C99 PolarHBondContact O-N 3.48Å; C99-Y101 VanDerWaalsContact C-N 3.28Å; C99-Y101 PolarHBondContact O-N 2.81Å; C99-S105 WeakPolarHBondContact CB-OG 3.41Å; C99-S105 PolarHBondContact O-OG 3.25Å; C99-C114 WeakPolarHBondContact CA-SG 3.16Å; C99-C114 HydrophobicContact CB-CB 3.81Å; C99-C114 WeakPolarHBondContact CB-SG 3.39Å; C99-C114 WeakPolarHBondContact SG-CA 3.08Å; C99-C114 WeakPolarHBondContact SG-CB 3.41Å; C99-C114 CovalentContact SG-SG 2.04Å; C99-C114 PolarHBondContact SG-SG 3.25Å
100	S	79.7	Confident	82.1	Confident	63 Å²	63	54.6 Å²	54.6	44%	0.441	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.9	-173.8	61.2	0	0	0	0	115.2	D98	D98-S100 PolarHBondContact O-N 3.29Å
101	Y	73.7	Confident	82.4	Confident	33 Å²	33	54.2 Å²	54.2	13%	0.129	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-26.9	-173.2	-71.1	-95.2	0	0	0	113.8	L91 C99 F259 F283	L91-Y101 HydrophobicContact CD1-CD2 3.58Å; L91-Y101 HydrophobicContact CD1-CE2 3.45Å; L91-Y101 VanDerWaalsContact CD1-CE2 3.45Å; L91-Y101 HydrophobicContact CD1-CG 4.31Å; C99-Y101 VanDerWaalsContact C-N 3.28Å; C99-Y101 PolarHBondContact O-N 2.81Å; Y101-F259 HydrophobicContact CE1-CD1 4.07Å; Y101-F259 AromaticContact CE1-CE1 3.64Å; Y101-F259 HydrophobicContact CE1-CE1 3.64Å; Y101-F259 HydrophobicContact CE1-CZ 4.22Å; Y101-F259 HydrophobicContact CE2-CE1 4.44Å; Y101-F259 AromaticContact CZ-CE1 3.59Å; Y101-F259 WeakPolarHBondContact OH-CE1 3.3Å; Y101-F283 WeakPolarHBondContact CE2-O 3.31Å; Y101-F283 VanDerWaalsContact OH-C 3.31Å; Y101-F283 PolarHBondContact OH-O 3.35Å; Y101-F283 VanDerWaalsContact OH-O 3.14Å
102	I	80.1	Confident	82.8	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	29%	0.293	C	S	.	.	S	Bend	trans	-127.3	116.6	179.6	-74.6	163.1	0	0	0	108.7	L88 G104 S105 F122 F127 L253	L88-I102 HydrophobicContact CB-CD1 3.72Å; L88-I102 HydrophobicContact CD1-CG2 3.94Å; L88-I102 WeakPolarHBondContact O-CD1 3.02Å; I102-G104 PolarHBondContact O-N 3.18Å; I102-S105 WeakPolarHBondContact O-CB 3.35Å; I102-S105 PolarHBondContact O-N 3.35Å; I102-S105 PolarHBondContact O-OG 2.87Å; I102-F122 HydrophobicContact CB-CE2 4.34Å; I102-F122 HydrophobicContact CD1-CE1 4.39Å; I102-F122 HydrophobicContact CD1-CE2 3.78Å; I102-F122 HydrophobicContact CD1-CZ 3.59Å; I102-F122 HydrophobicContact CG1-CE2 3.94Å; I102-F122 HydrophobicContact CG1-CZ 4.13Å; I102-F122 HydrophobicContact CG2-CD2 3.81Å; I102-F122 HydrophobicContact CG2-CE2 3.45Å; I102-F122 VanDerWaalsContact CG2-CE2 3.45Å; I102-F122 HydrophobicContact CG2-CZ 4.39Å; I102-F127 CarbonylContact C-O 3.52Å; I102-F127 WeakPolarHBondContact CA-O 3Å; I102-F127 HydrophobicContact CG1-CB 4.35Å; I102-F127 HydrophobicContact CG1-CD1 4.32Å; I102-L253 HydrophobicContact CD1-CD2 4.34Å
103	H	84.1	Confident	83	Confident	109 Å²	109	47.8 Å²	47.8	51%	0.505	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-68.9	134.2	-169.2	-175.9	83.7	0	0	0	112	S105 F127 S128 C129 R156	H103-S105 PolarHBondContact O-N 3.09Å; H103-F127 PolarHBondContact N-O 2.64Å; H103-S128 CarbonylContact O-C 3.6Å; H103-S128 WeakPolarHBondContact O-CA 3.37Å; H103-C129 PolarHBondContact O-N 2.96Å; H103-R156 PolarHBondContact CD2-NH2 3.49Å; H103-R156 PolarHBondContact CE1-NH2 3.43Å; H103-R156 VanDerWaalsContact CE1-NH2 3.34Å; H103-R156 PolarHBondContact ND1-NH2 2.88Å; H103-R156 PolarHBondContact NE2-NH2 2.89Å
104	G	85.5	Confident	83.3	Confident	34 Å²	34	47.8 Å²	47.8	35%	0.351	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	10.3	-177.1	0	0	0	0	0	114.2	I102 P117 C129	I102-G104 PolarHBondContact O-N 3.18Å; G104-P117 WeakPolarHBondContact O-CD 3.5Å; G104-C129 WeakPolarHBondContact O-CB 3.45Å
105	S	89.6	Confident	83.9	Confident	11 Å²	11	37.4 Å²	37.4	8%	0.077	23%	0.228	C	C	.	.			trans	-80.4	153.2	164.8	66.7	0	0	0	0	111.2	C99 I102 H103 V115	C99-S105 WeakPolarHBondContact CB-OG 3.41Å; C99-S105 PolarHBondContact O-OG 3.25Å; I102-S105 WeakPolarHBondContact O-CB 3.35Å; I102-S105 PolarHBondContact O-N 3.35Å; I102-S105 PolarHBondContact O-OG 2.87Å; H103-S105 PolarHBondContact O-N 3.09Å; S105-V115 WeakPolarHBondContact CA-O 3.3Å; S105-V115 WeakPolarHBondContact CB-O 3.09Å
106	I	90.8	Very high	84.3	Confident	55 Å²	55	33.2 Å²	33.2	28%	0.282	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	162.9	-179.8	59.6	158.8	0	0	0	109.8	C114 V115 P117	I106-C114 CarbonylContact O-C 3.59Å; I106-C114 WeakPolarHBondContact O-CA 3.3Å; I106-V115 HydrophobicContact CG1-CG1 4.09Å; I106-V115 PolarHBondContact N-O 2.99Å; I106-V115 PolarHBondContact O-N 3.25Å; I106-P117 HydrophobicContact CD1-CB 3.84Å; I106-P117 HydrophobicContact CG1-CB 4.04Å; I106-P117 HydrophobicContact CG2-CB 4.31Å; I106-P117 HydrophobicContact CG2-CG 4.3Å
107	C	90	Very high	84.6	Confident	10 Å²	10	30.1 Å²	30.1	7%	0.068	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.7	176.1	-170.5	0	0	0	0	111.1	C93 D96 P109	C93-C107 HydrophobicContact CB-CB 3.72Å; C93-C107 WeakPolarHBondContact CB-SG 3.35Å; C93-C107 PolarHBondContact O-SG 2.98Å; C93-C107 VanDerWaalsContact O-SG 3.41Å; C93-C107 WeakPolarHBondContact SG-CA 3.11Å; C93-C107 WeakPolarHBondContact SG-CB 3.41Å; C93-C107 CovalentContact SG-SG 2.03Å; C93-C107 PolarHBondContact SG-SG 3.46Å; D96-C107 WeakPolarHBondContact OD1-CB 3.43Å; D96-C107 PolarHBondContact OD1-N 2.82Å; C107-P109 WeakPolarHBondContact O-CD 3.33Å
108	H	89	Confident	85.1	Confident	15 Å²	15	29.4 Å²	29.4	7%	0.069	19%	0.187	C	C	.	.			trans	-71.1	115.7	178.7	-172.2	-92.2	0	0	0	111.1	S73 G110 V111 G112 G113 V115	S73-H108 PolarHBondContact O-NE2 3.11Å; H108-G110 VanDerWaalsContact C-N 3.29Å; H108-G110 PolarHBondContact ND1-N 3.26Å; H108-G110 PolarHBondContact O-N 3.38Å; H108-G110 VanDerWaalsContact O-N 3.16Å; H108-V111 HydrophobicContact CB-CB 4.47Å; H108-V111 PolarHBondContact ND1-N 3.07Å; H108-V111 PolarHBondContact O-N 3.4Å; H108-V111 VanDerWaalsContact O-N 3.1Å; H108-G112 PolarHBondContact O-N 2.83Å; H108-G113 VanDerWaalsContact CB-O 3.29Å; H108-G113 WeakPolarHBondContact CB-O 3.27Å; H108-G113 PolarHBondContact N-O 3.37Å; H108-V115 HydrophobicContact CB-CB 4.48Å; H108-V115 HydrophobicContact CB-CG1 3.84Å
109	P	82.1	Confident	85.5	Confident	125 Å²	125	29.5 Å²	29.5	81%	0.812	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-28	-167	24.7	-35	0	0	0	114.1	C107	C107-P109 WeakPolarHBondContact O-CD 3.33Å
110	G	77.1	Confident	85.9	Confident	17 Å²	17	33.4 Å²	33.4	18%	0.175	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.9	178.7	0	0	0	0	0	115.4	H108	H108-G110 VanDerWaalsContact C-N 3.29Å; H108-G110 PolarHBondContact ND1-N 3.26Å; H108-G110 PolarHBondContact O-N 3.38Å; H108-G110 VanDerWaalsContact O-N 3.16Å
111	V	81.6	Confident	86.3	Confident	34 Å²	34	32.3 Å²	32.3	21%	0.206	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-22.7	-173.1	176.7	0	0	0	0	112.7	V72 L87 H108 G113 F529	V72-V111 HydrophobicContact CG1-CB 4.22Å; V72-V111 HydrophobicContact CG1-CG1 4.21Å; V72-V111 HydrophobicContact CG1-CG2 3.75Å; L87-V111 HydrophobicContact CD1-CG1 4.21Å; L87-V111 HydrophobicContact CD2-CG1 4.16Å; H108-V111 HydrophobicContact CB-CB 4.47Å; H108-V111 PolarHBondContact ND1-N 3.07Å; H108-V111 PolarHBondContact O-N 3.4Å; H108-V111 VanDerWaalsContact O-N 3.1Å; V111-G113 VanDerWaalsContact C-N 3.32Å; V111-F529 HydrophobicContact CG2-CZ 4.34Å
112	G	83.2	Confident	87	Confident	17 Å²	17	31.5 Å²	31.5	18%	0.175	19%	0.19	C	C	.	.			trans	64.4	36.9	-176.1	0	0	0	0	0	112.2	Y92 C93 H108	Y92-G112 CarbonylContact C-O 3.6Å; Y92-G112 WeakPolarHBondContact CA-O 3.4Å; Y92-G112 WeakPolarHBondContact CD1-O 3.41Å; C93-G112 PolarHBondContact N-O 2.93Å; C93-G112 CarbonylContact O-C 3.57Å; C93-G112 VanDerWaalsContact O-CA 3.31Å; C93-G112 WeakPolarHBondContact O-CA 3.34Å; H108-G112 PolarHBondContact O-N 2.83Å
113	G	85	Confident	87.1	Confident	6 Å²	6	31.4 Å²	31.4	6%	0.062	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-134.4	151.9	175.4	0	0	0	0	0	111.3	C93 H108 V111	C93-G113 VanDerWaalsContact SG-CA 3.57Å; C93-G113 PolarHBondContact SG-N 2.87Å; H108-G113 VanDerWaalsContact CB-O 3.29Å; H108-G113 WeakPolarHBondContact CB-O 3.27Å; H108-G113 PolarHBondContact N-O 3.37Å; V111-G113 VanDerWaalsContact C-N 3.32Å
114	C	90.3	Very high	86.7	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.1	-174.3	-58.7	0	0	0	0	112.2	L88 C99 I106	L88-C114 HydrophobicContact CB-CB 4.35Å; L88-C114 WeakPolarHBondContact CB-O 3.05Å; L88-C114 PolarHBondContact N-O 3.05Å; C99-C114 WeakPolarHBondContact CA-SG 3.16Å; C99-C114 HydrophobicContact CB-CB 3.81Å; C99-C114 WeakPolarHBondContact CB-SG 3.39Å; C99-C114 WeakPolarHBondContact SG-CA 3.08Å; C99-C114 WeakPolarHBondContact SG-CB 3.41Å; C99-C114 CovalentContact SG-SG 2.04Å; C99-C114 PolarHBondContact SG-SG 3.25Å; I106-C114 CarbonylContact O-C 3.59Å; I106-C114 WeakPolarHBondContact O-CA 3.3Å
115	V	91.8	Very high	85.9	Confident	1 Å²	1	28 Å²	28	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.4	-178	71.4	0	0	0	0	110.5	V72 V74 K85 S105 I106 H108	V72-V115 HydrophobicContact CG2-CB 4.26Å; V72-V115 HydrophobicContact CG2-CG2 3.74Å; V74-V115 HydrophobicContact CG2-CG1 4.49Å; V74-V115 HydrophobicContact CG2-CG2 3.98Å; K85-V115 HydrophobicContact CB-CG2 3.58Å; S105-V115 WeakPolarHBondContact CA-O 3.3Å; S105-V115 WeakPolarHBondContact CB-O 3.09Å; I106-V115 HydrophobicContact CG1-CG1 4.09Å; I106-V115 PolarHBondContact N-O 2.99Å; I106-V115 PolarHBondContact O-N 3.25Å; H108-V115 HydrophobicContact CB-CB 4.48Å; H108-V115 HydrophobicContact CB-CG1 3.84Å
116	C	92.6	Very high	85.1	Confident	4 Å²	4	28.4 Å²	28.4	3%	0.027	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-75.2	136.7	169.5	-66.6	0	0	0	0	111.1	K85 F122 C129	K85-C116 HydrophobicContact CD-CB 4.5Å; K85-C116 VanDerWaalsContact CD-O 3.29Å; K85-C116 WeakPolarHBondContact CD-O 3.47Å; C116-F122 VanDerWaalsContact SG-CB 3.58Å; C116-C129 WeakPolarHBondContact CA-SG 3.41Å; C116-C129 HydrophobicContact CB-CB 3.74Å; C116-C129 WeakPolarHBondContact CB-SG 3.4Å; C116-C129 VanDerWaalsContact SG-CA 3.6Å; C116-C129 WeakPolarHBondContact SG-CB 3.47Å; C116-C129 CovalentContact SG-SG 2.04Å; C116-C129 PolarHBondContact SG-SG 3.18Å
117	P	91.3	Very high	84.5	Confident	23 Å²	23	26.3 Å²	26.3	15%	0.149	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-65	172.5	178.4	24.3	-31.3	0	0	0	112.9	K85 G104 I106 G119 Y120	K85-P117 PolarHBondContact NZ-O 3.04Å; G104-P117 WeakPolarHBondContact O-CD 3.5Å; I106-P117 HydrophobicContact CD1-CB 3.84Å; I106-P117 HydrophobicContact CG1-CB 4.04Å; I106-P117 HydrophobicContact CG2-CB 4.31Å; I106-P117 HydrophobicContact CG2-CG 4.3Å; P117-G119 PolarHBondContact O-N 3.21Å; P117-Y120 HydrophobicContact CB-CD2 4.37Å; P117-Y120 HydrophobicContact CG-CD2 3.69Å; P117-Y120 HydrophobicContact CG-CE2 4.22Å; P117-Y120 HydrophobicContact CG-CG 3.9Å; P117-Y120 PolarHBondContact O-N 3.15Å
118	S	88.6	Confident	84.3	Confident	31 Å²	31	25.8 Å²	25.8	22%	0.217	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	137.3	173.7	177.9	0	0	0	0	111.3	Y75 E76 M77 Y120	Y75-S118 WeakPolarHBondContact O-CB 3.48Å; Y75-S118 PolarHBondContact O-OG 3.36Å; E76-S118 VanDerWaalsContact CA-OG 3.31Å; E76-S118 WeakPolarHBondContact CA-OG 3.5Å; E76-S118 WeakPolarHBondContact OE2-CA 3.35Å; E76-S118 WeakPolarHBondContact OE2-CB 3.47Å; E76-S118 PolarHBondContact OE2-OG 3.16Å; M77-S118 PolarHBondContact N-OG 3.14Å; S118-Y120 VanDerWaalsContact C-N 3.28Å; S118-Y120 VanDerWaalsContact O-CD2 3.31Å; S118-Y120 WeakPolarHBondContact O-CD2 3.34Å; S118-Y120 PolarHBondContact O-N 3.44Å
119	G	86.8	Confident	84.3	Confident	16 Å²	16	25.3 Å²	25.3	17%	0.165	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-6.7	-177	0	0	0	0	0	114.5	E76 P117 R132	E76-G119 PolarHBondContact OE2-N 2.84Å; P117-G119 PolarHBondContact O-N 3.21Å; G119-R132 PolarHBondContact O-N 3.09Å
120	Y	90.4	Very high	84.7	Confident	91 Å²	91	19.8 Å²	19.8	36%	0.357	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.7	-178.5	-66.8	-113.6	0	0	0	112.3	K85 P117 S118 C129 L130 P131	K85-Y120 PolarHBondContact NZ-O 2.78Å; P117-Y120 HydrophobicContact CB-CD2 4.37Å; P117-Y120 HydrophobicContact CG-CD2 3.69Å; P117-Y120 HydrophobicContact CG-CE2 4.22Å; P117-Y120 HydrophobicContact CG-CG 3.9Å; P117-Y120 PolarHBondContact O-N 3.15Å; S118-Y120 VanDerWaalsContact C-N 3.28Å; S118-Y120 VanDerWaalsContact O-CD2 3.31Å; S118-Y120 WeakPolarHBondContact O-CD2 3.34Å; S118-Y120 PolarHBondContact O-N 3.44Å; Y120-C129 HydrophobicContact CD1-CB 4.31Å; Y120-C129 WeakPolarHBondContact CD1-O 3.3Å; Y120-L130 CarbonylContact C-O 3.59Å; Y120-L130 VanDerWaalsContact CA-O 3.3Å; Y120-L130 WeakPolarHBondContact CA-O 3.38Å; Y120-L130 VanDerWaalsContact CD1-C 3.49Å; Y120-P131 HydrophobicContact CD1-CB 4.24Å; Y120-P131 HydrophobicContact CE1-CB 4.04Å; Y120-P131 HydrophobicContact CE1-CG 4.28Å
121	E	89	Confident	85.2	Confident	39 Å²	39	20.9 Å²	20.9	18%	0.182	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.1	174.6	-164.7	61	-126.1	0	0	110.6	V123 C129 L130 R132 V150 V152 A173	E121-V123 PolarHBondContact O-N 3.23Å; E121-C129 CarbonylContact O-C 3.55Å; E121-C129 WeakPolarHBondContact O-CA 3.4Å; E121-L130 PolarHBondContact N-O 3.36Å; E121-L130 PolarHBondContact O-N 2.69Å; E121-R132 HydrophobicContact CB-CG 4.03Å; E121-R132 IonicContact OE2-CZ 3.99Å; E121-R132 IonicContact OE2-NE 2.68Å; E121-R132 PolarHBondContact OE2-NE 2.93Å; E121-R132 IonicContact OE2-NH2 2.83Å; E121-R132 PolarHBondContact OE2-NH2 2.82Å; E121-V150 HydrophobicContact CB-CG1 4.22Å; E121-V150 HydrophobicContact CG-CB 3.98Å; E121-V150 HydrophobicContact CG-CG1 4.07Å; E121-V150 HydrophobicContact CG-CG2 4.26Å; E121-V152 HydrophobicContact CB-CG1 3.86Å; E121-A173 HydrophobicContact CG-CB 3.99Å
122	F	87.3	Confident	85.5	Confident	16 Å²	16	22.3 Å²	22.3	7%	0.07	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.4	177.2	-177.1	-135.5	0	0	0	111.2	L88 I102 C116 F124 F127 L253	L88-F122 HydrophobicContact CD2-CB 3.95Å; L88-F122 HydrophobicContact CD2-CD1 3.55Å; L88-F122 HydrophobicContact CD2-CD2 4.16Å; L88-F122 HydrophobicContact CD2-CE1 4.04Å; L88-F122 HydrophobicContact CD2-CG 3.62Å; I102-F122 HydrophobicContact CB-CE2 4.34Å; I102-F122 HydrophobicContact CD1-CE1 4.39Å; I102-F122 HydrophobicContact CD1-CE2 3.78Å; I102-F122 HydrophobicContact CD1-CZ 3.59Å; I102-F122 HydrophobicContact CG1-CE2 3.94Å; I102-F122 HydrophobicContact CG1-CZ 4.13Å; I102-F122 HydrophobicContact CG2-CD2 3.81Å; I102-F122 HydrophobicContact CG2-CE2 3.45Å; I102-F122 VanDerWaalsContact CG2-CE2 3.45Å; I102-F122 HydrophobicContact CG2-CZ 4.39Å; C116-F122 VanDerWaalsContact SG-CB 3.58Å; F122-F124 AromaticContact CD1-CD2 3.82Å; F122-F124 HydrophobicContact CD1-CD2 3.82Å; F122-F124 AromaticContact CD1-CE2 3.39Å; F122-F124 HydrophobicContact CD1-CE2 3.39Å; F122-F124 HydrophobicContact CD1-CZ 4.12Å; F122-F124 AromaticContact CE1-CD2 3.67Å; F122-F124 HydrophobicContact CE1-CD2 3.67Å; F122-F124 HydrophobicContact CE1-CE1 4.19Å; F122-F124 AromaticContact CE1-CE2 3.18Å; F122-F124 HydrophobicContact CE1-CE2 3.18Å; F122-F124 HydrophobicContact CE1-CG 4.3Å; F122-F124 AromaticContact CE1-CZ 3.48Å; F122-F124 HydrophobicContact CE1-CZ 3.48Å; F122-F124 VanDerWaalsContact CE1-CZ 3.48Å; F122-F124 HydrophobicContact CZ-CD2 4.47Å; F122-F124 HydrophobicContact CZ-CE2 4.28Å; F122-F124 HydrophobicContact CZ-CZ 4.44Å; F122-F127 HydrophobicContact CZ-CD1 4.09Å; F122-F127 HydrophobicContact CZ-CE1 4.4Å; F122-L253 HydrophobicContact CE1-CD2 4.17Å
123	V	84	Confident	85.6	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	107.4	179.7	-166.6	0	0	0	0	109.7	E121 Q125 H126 F127 S128 L130 V152 A173	E121-V123 PolarHBondContact O-N 3.23Å; V123-Q125 VanDerWaalsContact C-N 3.32Å; V123-Q125 PolarHBondContact O-N 2.92Å; V123-H126 PolarHBondContact O-N 3.34Å; V123-H126 VanDerWaalsContact O-N 3.14Å; V123-F127 PolarHBondContact O-N 2.03Å; V123-F127 VanDerWaalsContact O-N 3.12Å; V123-S128 PolarHBondContact N-O 2.68Å; V123-S128 PolarHBondContact O-N 2.9Å; V123-L130 HydrophobicContact CB-CD1 4.32Å; V123-L130 HydrophobicContact CG2-CB 3.97Å; V123-L130 HydrophobicContact CG2-CD1 3.9Å; V123-L130 HydrophobicContact CG2-CG 3.98Å; V123-V152 HydrophobicContact CG2-CG1 4.18Å; V123-V152 HydrophobicContact CG2-CG2 4.05Å; V123-A173 HydrophobicContact CG2-CB 3.84Å
124	F	73.9	Confident	84.9	Confident	24 Å²	24	28.1 Å²	28.1	11%	0.105	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-53.3	-47.7	-176.7	-99	-96.6	0	0	0	112.5	F122 H126 F127 R176 L253 Y255	F122-F124 AromaticContact CD1-CD2 3.82Å; F122-F124 HydrophobicContact CD1-CD2 3.82Å; F122-F124 AromaticContact CD1-CE2 3.39Å; F122-F124 HydrophobicContact CD1-CE2 3.39Å; F122-F124 HydrophobicContact CD1-CZ 4.12Å; F122-F124 AromaticContact CE1-CD2 3.67Å; F122-F124 HydrophobicContact CE1-CD2 3.67Å; F122-F124 HydrophobicContact CE1-CE1 4.19Å; F122-F124 AromaticContact CE1-CE2 3.18Å; F122-F124 HydrophobicContact CE1-CE2 3.18Å; F122-F124 HydrophobicContact CE1-CG 4.3Å; F122-F124 AromaticContact CE1-CZ 3.48Å; F122-F124 HydrophobicContact CE1-CZ 3.48Å; F122-F124 VanDerWaalsContact CE1-CZ 3.48Å; F122-F124 HydrophobicContact CZ-CD2 4.47Å; F122-F124 HydrophobicContact CZ-CE2 4.28Å; F122-F124 HydrophobicContact CZ-CZ 4.44Å; F124-H126 PolarHBondContact O-N 2.83Å; F124-F127 VanDerWaalsContact O-CD2 3.27Å; F124-F127 WeakPolarHBondContact O-CD2 3.39Å; F124-F127 WeakPolarHBondContact O-CE2 3.37Å; F124-F127 WeakPolarHBondContact O-CZ 3.37Å; F124-F127 PolarHBondContact O-N 2.04Å; F124-R176 HydrophobicContact CD2-CG 3.88Å; F124-R176 HydrophobicContact CE2-CG 3.55Å; F124-R176 VanDerWaalsContact CE2-CZ 3.47Å; F124-R176 VanDerWaalsContact CZ-CD 3.49Å; F124-R176 HydrophobicContact CZ-CG 3.95Å; F124-L253 HydrophobicContact CZ-CD2 4.37Å; F124-Y255 HydrophobicContact CE1-CD1 4.41Å; F124-Y255 HydrophobicContact CE1-CE1 4.27Å
125	Q	69.6	Low	84	Confident	46 Å²	46	31.4 Å²	31.4	22%	0.215	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-65.5	-13.2	-174.5	-57.1	94.1	-31.1	0	0	113.6	V123 N193	V123-Q125 VanDerWaalsContact C-N 3.32Å; V123-Q125 PolarHBondContact O-N 2.92Å; Q125-N193 HydrophobicContact CB-CB 3.92Å; Q125-N193 HydrophobicContact CG-CB 3.72Å
126	H	73.9	Confident	82.8	Confident	20 Å²	20	35 Å²	35	9%	0.093	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-119.3	-2.5	179.8	-62.4	-63.7	0	0	0	114.1	V123 F124 S128 N154 Q171 Q213	V123-H126 PolarHBondContact O-N 3.34Å; V123-H126 VanDerWaalsContact O-N 3.14Å; F124-H126 PolarHBondContact O-N 2.83Å; H126-S128 PolarHBondContact O-N 3.33Å; H126-S128 VanDerWaalsContact O-N 3.12Å; H126-S128 PolarHBondContact O-OG 3.37Å; H126-N154 PolarHBondContact CE1-ND2 3.13Å; H126-N154 PolarHBondContact NE2-ND2 3.29Å; H126-Q171 PolarHBondContact CD2-OE1 2.75Å; H126-Q171 PolarHBondContact NE2-OE1 2.86Å; H126-Q213 PolarHBondContact O-NE2 3.12Å
127	F	77.3	Confident	81.8	Confident	11 Å²	11	42 Å²	42	5%	0.048	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	40	47.2	-167.1	-67	-86.4	0	0	0	112.6	I102 H103 F122 V123 F124 I211 Q213 Y255	I102-F127 CarbonylContact C-O 3.52Å; I102-F127 WeakPolarHBondContact CA-O 3Å; I102-F127 HydrophobicContact CG1-CB 4.35Å; I102-F127 HydrophobicContact CG1-CD1 4.32Å; H103-F127 PolarHBondContact N-O 2.64Å; F122-F127 HydrophobicContact CZ-CD1 4.09Å; F122-F127 HydrophobicContact CZ-CE1 4.4Å; V123-F127 PolarHBondContact O-N 2.03Å; V123-F127 VanDerWaalsContact O-N 3.12Å; F124-F127 VanDerWaalsContact O-CD2 3.27Å; F124-F127 WeakPolarHBondContact O-CD2 3.39Å; F124-F127 WeakPolarHBondContact O-CE2 3.37Å; F124-F127 WeakPolarHBondContact O-CZ 3.37Å; F124-F127 PolarHBondContact O-N 2.04Å; F127-I211 HydrophobicContact CE1-CG2 4.36Å; F127-I211 WeakPolarHBondContact CE2-O 3.38Å; F127-I211 HydrophobicContact CZ-CG2 3.61Å; F127-I211 WeakPolarHBondContact CZ-O 3.36Å; F127-Q213 HydrophobicContact CB-CG 4.21Å; F127-Q213 HydrophobicContact CD2-CG 3.42Å; F127-Q213 VanDerWaalsContact CD2-CG 3.42Å; F127-Q213 HydrophobicContact CE2-CG 4.17Å; F127-Q213 HydrophobicContact CG-CG 3.94Å; F127-Y255 AromaticContact CE1-CE1 3.92Å; F127-Y255 HydrophobicContact CE1-CE1 3.92Å; F127-Y255 AromaticContact CE1-CZ 3.68Å; F127-Y255 WeakPolarHBondContact CE1-OH 3.47Å; F127-Y255 HydrophobicContact CZ-CE1 4.43Å
128	S	84.8	Confident	81.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.2	-171.8	-62	0	0	0	0	110.1	H103 V123 H126 L130 R156	H103-S128 CarbonylContact O-C 3.6Å; H103-S128 WeakPolarHBondContact O-CA 3.37Å; V123-S128 PolarHBondContact N-O 2.68Å; V123-S128 PolarHBondContact O-N 2.9Å; H126-S128 PolarHBondContact O-N 3.33Å; H126-S128 VanDerWaalsContact O-N 3.12Å; H126-S128 PolarHBondContact O-OG 3.37Å; S128-L130 PolarHBondContact O-N 3.42Å; S128-R156 PolarHBondContact OG-NH1 3.31Å
129	C	90.4	Very high	81	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	115	158.7	-62.1	0	0	0	0	107.6	H103 G104 C116 Y120 E121	H103-C129 PolarHBondContact O-N 2.96Å; G104-C129 WeakPolarHBondContact O-CB 3.45Å; C116-C129 WeakPolarHBondContact CA-SG 3.41Å; C116-C129 HydrophobicContact CB-CB 3.74Å; C116-C129 WeakPolarHBondContact CB-SG 3.4Å; C116-C129 VanDerWaalsContact SG-CA 3.6Å; C116-C129 WeakPolarHBondContact SG-CB 3.47Å; C116-C129 CovalentContact SG-SG 2.04Å; C116-C129 PolarHBondContact SG-SG 3.18Å; Y120-C129 HydrophobicContact CD1-CB 4.31Å; Y120-C129 WeakPolarHBondContact CD1-O 3.3Å; E121-C129 CarbonylContact O-C 3.55Å; E121-C129 WeakPolarHBondContact O-CA 3.4Å
130	L	89.7	Confident	80.8	Confident	10 Å²	10	43.5 Å²	43.5	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.3	177.1	-64.6	-174.9	0	0	0	110.2	Y120 E121 V123 S128 R132 V152 N154	Y120-L130 CarbonylContact C-O 3.59Å; Y120-L130 VanDerWaalsContact CA-O 3.3Å; Y120-L130 WeakPolarHBondContact CA-O 3.38Å; Y120-L130 VanDerWaalsContact CD1-C 3.49Å; E121-L130 PolarHBondContact N-O 3.36Å; E121-L130 PolarHBondContact O-N 2.69Å; V123-L130 HydrophobicContact CB-CD1 4.32Å; V123-L130 HydrophobicContact CG2-CB 3.97Å; V123-L130 HydrophobicContact CG2-CD1 3.9Å; V123-L130 HydrophobicContact CG2-CG 3.98Å; S128-L130 PolarHBondContact O-N 3.42Å; L130-R132 PolarHBondContact O-N 3.41Å; L130-V152 HydrophobicContact CB-CB 3.95Å; L130-V152 HydrophobicContact CB-CG1 4.26Å; L130-V152 HydrophobicContact CB-CG2 4.37Å; L130-V152 HydrophobicContact CD1-CG2 4.24Å; L130-N154 HydrophobicContact CD1-CB 3.74Å
131	P	88.2	Confident	80.6	Confident	40 Å²	40	39.2 Å²	39.2	26%	0.26	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	134.7	179.1	26.8	-34.1	0	0	0	110	Y120 V152 V153	Y120-P131 HydrophobicContact CD1-CB 4.24Å; Y120-P131 HydrophobicContact CE1-CB 4.04Å; Y120-P131 HydrophobicContact CE1-CG 4.28Å; P131-V152 CarbonylContact O-C 3.5Å; P131-V152 VanDerWaalsContact O-CA 3.31Å; P131-V152 WeakPolarHBondContact O-CA 3.45Å; P131-V153 WeakPolarHBondContact CD-O 3.48Å; P131-V153 HydrophobicContact CG-CB 4.26Å; P131-V153 PolarHBondContact O-N 3.47Å
132	R	87.3	Confident	80.3	Confident	64 Å²	64	40.1 Å²	40.1	24%	0.242	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-64.5	138.9	175.5	-66.9	-173.2	-175.6	138.5	5.7	110	E76 G119 E121 L130 V150 C151	E76-R132 IonicContact OE1-CZ 3.15Å; E76-R132 IonicContact OE1-NH1 2.64Å; E76-R132 PolarHBondContact OE1-NH1 2.98Å; E76-R132 IonicContact OE1-NH2 2.76Å; E76-R132 PolarHBondContact OE1-NH2 2.95Å; G119-R132 PolarHBondContact O-N 3.09Å; E121-R132 HydrophobicContact CB-CG 4.03Å; E121-R132 IonicContact OE2-CZ 3.99Å; E121-R132 IonicContact OE2-NE 2.68Å; E121-R132 PolarHBondContact OE2-NE 2.93Å; E121-R132 IonicContact OE2-NH2 2.83Å; E121-R132 PolarHBondContact OE2-NH2 2.82Å; L130-R132 PolarHBondContact O-N 3.41Å; R132-V150 HydrophobicContact CG-CG1 3.81Å; R132-C151 WeakPolarHBondContact CA-O 3.49Å
133	A	85	Confident	80	Confident	16 Å²	16	41.2 Å²	41.2	13%	0.132	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-88.9	125.8	172	0	0	0	0	0	109.8	D135 C151 V153 L170	A133-D135 PolarHBondContact O-N 3.46Å; A133-C151 HydrophobicContact CB-CB 4.14Å; A133-C151 PolarHBondContact N-O 2.84Å; A133-V153 HydrophobicContact CB-CG2 3.82Å; A133-L170 HydrophobicContact CB-CD2 3.27Å
134	N	71.5	Confident	80.1	Confident	129 Å²	129	41.1 Å²	41.1	69%	0.69	23%	0.225	S	C	*	.			trans	-85	9.1	175.1	-75.7	-0.4	0	0	0	113.1	S136	N134-S136 PolarHBondContact O-N 3.13Å
135	D	70.3	Confident	80.6	Confident	72 Å²	72	44.7 Å²	44.7	39%	0.385	24%	0.242	S	C	.	.			trans	-81.8	83.2	-176.8	-166.2	-11.2	0	0	0	111.5	A133 L137 N138 C141	A133-D135 PolarHBondContact O-N 3.46Å; D135-L137 PolarHBondContact O-N 3.15Å; D135-L137 PolarHBondContact OD1-N 2.96Å; D135-L137 VanDerWaalsContact OD1-N 3.1Å; D135-N138 HydrophobicContact CB-CB 4.34Å; D135-N138 PolarHBondContact OD1-N 2.97Å; D135-N138 VanDerWaalsContact OD1-N 3.14Å; D135-C141 WeakPolarHBondContact O-CB 3.3Å; D135-C141 PolarHBondContact O-SG 2.92Å; D135-C141 VanDerWaalsContact O-SG 3.36Å
136	S	66.5	Low	81.2	Confident	76 Å²	76	49.2 Å²	49.2	53%	0.531	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.2	176.1	57.1	0	0	0	0	114.3	N134 I142	N134-S136 PolarHBondContact O-N 3.13Å; S136-I142 WeakPolarHBondContact O-CG1 3.46Å
137	L	72.5	Confident	81.4	Confident	151 Å²	151	48.3 Å²	48.3	79%	0.791	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-22.6	178.7	-66.7	171.4	0	0	0	112.2	D135	D135-L137 PolarHBondContact O-N 3.15Å; D135-L137 PolarHBondContact OD1-N 2.96Å; D135-L137 VanDerWaalsContact OD1-N 3.1Å
138	N	81	Confident	81.4	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.102	27%	0.27	C	S	.	.	S	Bend	trans	-66.5	127	177.7	-164.7	-63.6	0	0	0	111.1	D135 L140 C141 I142 D168 L170	D135-N138 HydrophobicContact CB-CB 4.34Å; D135-N138 PolarHBondContact OD1-N 2.97Å; D135-N138 VanDerWaalsContact OD1-N 3.14Å; N138-L140 PolarHBondContact O-N 2.75Å; N138-L140 WeakPolarHBondContact OD1-CB 3.45Å; N138-L140 PolarHBondContact OD1-N 3.34Å; N138-C141 HydrophobicContact CB-CB 4.34Å; N138-C141 PolarHBondContact O-N 2.94Å; N138-I142 PolarHBondContact O-N 3.1Å; N138-I142 VanDerWaalsContact O-N 3.07Å; N138-D168 PolarHBondContact ND2-OD2 3.34Å; N138-L170 HydrophobicContact CB-CD1 4.01Å; N138-L170 VanDerWaalsContact ND2-CD1 3.3Å; N138-L170 WeakPolarHBondContact ND2-CD1 3.05Å
139	P	81.7	Confident	81.3	Confident	76 Å²	76	51.8 Å²	51.8	49%	0.494	27%	0.273	S	S	.	.	H	α-helix	trans	-58.1	-35.2	-177.7	22.5	-33.6	0	0	0	112.9	C141 I142 D143	P139-C141 VanDerWaalsContact C-N 3.34Å; P139-C141 PolarHBondContact O-N 2.82Å; P139-I142 PolarHBondContact O-N 2.92Å; P139-D143 PolarHBondContact O-N 2.6Å
140	L	83.1	Confident	81.1	Confident	8 Å²	8	53.5 Å²	53.5	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-42.8	176	-174.8	71	0	0	0	111.6	N138 D143 C144 Y166 L170 L191	N138-L140 PolarHBondContact O-N 2.75Å; N138-L140 WeakPolarHBondContact OD1-CB 3.45Å; N138-L140 PolarHBondContact OD1-N 3.34Å; L140-D143 PolarHBondContact O-N 3.27Å; L140-C144 WeakPolarHBondContact O-CB 3.25Å; L140-C144 PolarHBondContact O-N 3.43Å; L140-Y166 HydrophobicContact CB-CD1 3.93Å; L140-Y166 HydrophobicContact CB-CE1 3.78Å; L140-Y166 HydrophobicContact CD1-CD1 4.31Å; L140-Y166 HydrophobicContact CD1-CD2 4.14Å; L140-Y166 HydrophobicContact CD1-CE1 4.03Å; L140-Y166 HydrophobicContact CD1-CE2 3.84Å; L140-Y166 HydrophobicContact CD1-CG 4.36Å; L140-Y166 HydrophobicContact CD2-CD1 4.22Å; L140-Y166 HydrophobicContact CD2-CG 4.16Å; L140-Y166 HydrophobicContact CG-CD1 4.39Å; L140-Y166 HydrophobicContact CG-CE1 4.37Å; L140-L170 HydrophobicContact CD2-CB 3.88Å; L140-L170 VanDerWaalsContact CD2-O 3.31Å; L140-L170 WeakPolarHBondContact CD2-O 3.49Å; L140-L191 HydrophobicContact CD1-CD2 3.89Å
141	C	85.1	Confident	81.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-37.2	177.9	-66.2	0	0	0	0	111.9	D135 N138 P139 Q145 C151	D135-C141 WeakPolarHBondContact O-CB 3.3Å; D135-C141 PolarHBondContact O-SG 2.92Å; D135-C141 VanDerWaalsContact O-SG 3.36Å; N138-C141 HydrophobicContact CB-CB 4.34Å; N138-C141 PolarHBondContact O-N 2.94Å; P139-C141 VanDerWaalsContact C-N 3.34Å; P139-C141 PolarHBondContact O-N 2.82Å; C141-Q145 WeakPolarHBondContact O-CB 3.24Å; C141-Q145 VanDerWaalsContact O-CG 3.22Å; C141-Q145 WeakPolarHBondContact O-CG 3.22Å; C141-Q145 PolarHBondContact O-N 3.37Å; C141-C151 WeakPolarHBondContact CA-SG 3.29Å; C141-C151 HydrophobicContact CB-CB 3.55Å; C141-C151 WeakPolarHBondContact CB-SG 3.32Å; C141-C151 WeakPolarHBondContact SG-CB 3.31Å; C141-C151 CovalentContact SG-SG 2.04Å; C141-C151 PolarHBondContact SG-SG 3.4Å
142	I	82.5	Confident	81.1	Confident	59 Å²	59	51.3 Å²	51.3	30%	0.303	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-47.3	175.1	-65.1	169	0	0	0	110.6	S136 N138 P139 Q145 R146	S136-I142 WeakPolarHBondContact O-CG1 3.46Å; N138-I142 PolarHBondContact O-N 3.1Å; N138-I142 VanDerWaalsContact O-N 3.07Å; P139-I142 PolarHBondContact O-N 2.92Å; I142-Q145 PolarHBondContact O-N 3.06Å; I142-R146 WeakPolarHBondContact O-CG 3.43Å; I142-R146 PolarHBondContact O-N 3.46Å
143	D	82.9	Confident	81	Confident	39 Å²	39	50 Å²	50	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-70	-36.2	179.3	-77.1	-35.9	0	0	0	112.6	P139 L140 Q145 R146 I147 L191	P139-D143 PolarHBondContact O-N 2.6Å; L140-D143 PolarHBondContact O-N 3.27Å; D143-Q145 VanDerWaalsContact C-N 3.34Å; D143-Q145 PolarHBondContact O-N 3.16Å; D143-R146 WeakPolarHBondContact O-CB 3.29Å; D143-R146 PolarHBondContact O-N 2.04Å; D143-R146 WeakPolarHBondContact OD1-CD 3.4Å; D143-R146 IonicContact OD1-CZ 2.78Å; D143-R146 IonicContact OD1-NE 2.68Å; D143-R146 IonicContact OD1-NH1 3.73Å; D143-R146 PolarHBondContact OD1-NH1 2.52Å; D143-I147 PolarHBondContact O-N 3.27Å; D143-L191 HydrophobicContact CB-CD1 3.98Å; D143-L191 HydrophobicContact CB-CD2 3.67Å; D143-L191 HydrophobicContact CB-CG 4.44Å
144	C	85.5	Confident	80.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-44.6	169.7	-177.8	0	0	0	0	112.4	L140 R146 I147 G149 V150 C172	L140-C144 WeakPolarHBondContact O-CB 3.25Å; L140-C144 PolarHBondContact O-N 3.43Å; C144-R146 VanDerWaalsContact C-N 3.35Å; C144-R146 PolarHBondContact O-N 3.42Å; C144-I147 WeakPolarHBondContact O-CG1 3.28Å; C144-I147 PolarHBondContact O-N 3.06Å; C144-G149 WeakPolarHBondContact O-CA 3.32Å; C144-G149 PolarHBondContact O-N 3.04Å; C144-G149 VanDerWaalsContact SG-C 3.58Å; C144-V150 PolarHBondContact SG-N 2.98Å; C144-C172 WeakPolarHBondContact CA-SG 3.26Å; C144-C172 HydrophobicContact CB-CB 3.62Å; C144-C172 WeakPolarHBondContact CB-SG 3.16Å; C144-C172 WeakPolarHBondContact SG-CA 3.04Å; C144-C172 WeakPolarHBondContact SG-CB 3.16Å; C144-C172 CovalentContact SG-SG 2.03Å; C144-C172 PolarHBondContact SG-SG 2.91Å
145	Q	84.3	Confident	80.7	Confident	99 Å²	99	48.7 Å²	48.7	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-66.8	-33.6	177.4	-73.2	171.3	11.1	0	0	112.4	C141 I142 D143 I147 N148	C141-Q145 WeakPolarHBondContact O-CB 3.24Å; C141-Q145 VanDerWaalsContact O-CG 3.22Å; C141-Q145 WeakPolarHBondContact O-CG 3.22Å; C141-Q145 PolarHBondContact O-N 3.37Å; I142-Q145 PolarHBondContact O-N 3.06Å; D143-Q145 VanDerWaalsContact C-N 3.34Å; D143-Q145 PolarHBondContact O-N 3.16Å; Q145-I147 VanDerWaalsContact C-N 3.28Å; Q145-I147 PolarHBondContact O-N 3.11Å; Q145-N148 PolarHBondContact O-N 3.34Å
146	R	81.5	Confident	80.4	Confident	140 Å²	140	50.1 Å²	50.1	53%	0.528	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-33.5	175.7	-73.9	170.1	-179.1	168.7	-0.7	113	I142 D143 C144 N148	I142-R146 WeakPolarHBondContact O-CG 3.43Å; I142-R146 PolarHBondContact O-N 3.46Å; D143-R146 WeakPolarHBondContact O-CB 3.29Å; D143-R146 PolarHBondContact O-N 2.04Å; D143-R146 WeakPolarHBondContact OD1-CD 3.4Å; D143-R146 IonicContact OD1-CZ 2.78Å; D143-R146 IonicContact OD1-NE 2.68Å; D143-R146 IonicContact OD1-NH1 3.73Å; D143-R146 PolarHBondContact OD1-NH1 2.52Å; C144-R146 VanDerWaalsContact C-N 3.35Å; C144-R146 PolarHBondContact O-N 3.42Å; R146-N148 VanDerWaalsContact C-N 3.27Å; R146-N148 PolarHBondContact O-N 2.78Å
147	I	77.7	Confident	79.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	19.7	174.2	65.1	170.3	0	0	0	113.2	D143 C144 Q145 G149 P175 Y186 F188 L191 C192	D143-I147 PolarHBondContact O-N 3.27Å; C144-I147 WeakPolarHBondContact O-CG1 3.28Å; C144-I147 PolarHBondContact O-N 3.06Å; Q145-I147 VanDerWaalsContact C-N 3.28Å; Q145-I147 PolarHBondContact O-N 3.11Å; I147-G149 PolarHBondContact O-N 3.18Å; I147-G149 VanDerWaalsContact O-N 3.16Å; I147-P175 WeakPolarHBondContact O-CG 3.08Å; I147-Y186 HydrophobicContact CG2-CD2 3.8Å; I147-Y186 HydrophobicContact CG2-CG 4.09Å; I147-F188 HydrophobicContact CD1-CD2 4.24Å; I147-F188 HydrophobicContact CD1-CE2 4.27Å; I147-L191 HydrophobicContact CD1-CB 4.08Å; I147-L191 HydrophobicContact CD1-CD1 4.4Å; I147-C192 VanDerWaalsContact CD1-SG 3.56Å
148	N	77.7	Confident	78	Confident	79 Å²	79	55.7 Å²	55.7	42%	0.422	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	11.1	-176.3	-71.3	-61.8	0	0	0	116.3	R54 Q145 R146	R54-N148 PolarHBondContact NH1-O 2.83Å; R54-N148 PolarHBondContact NH2-OD1 2.86Å; Q145-N148 PolarHBondContact O-N 3.34Å; R146-N148 VanDerWaalsContact C-N 3.27Å; R146-N148 PolarHBondContact O-N 2.78Å
149	G	82.6	Confident	76	Confident	6 Å²	6	55.9 Å²	55.9	6%	0.062	28%	0.282	C	S	.	.			trans	-73.8	176.3	172.2	0	0	0	0	0	113.3	C144 I147 A173	C144-G149 WeakPolarHBondContact O-CA 3.32Å; C144-G149 PolarHBondContact O-N 3.04Å; C144-G149 VanDerWaalsContact SG-C 3.58Å; I147-G149 PolarHBondContact O-N 3.18Å; I147-G149 VanDerWaalsContact O-N 3.16Å; G149-A173 WeakPolarHBondContact CA-O 3.32Å
150	V	86.4	Confident	73.8	Confident	39 Å²	39	59 Å²	59	24%	0.236	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.5	177.9	178.3	0	0	0	0	109.1	E121 R132 C144 A173	E121-V150 HydrophobicContact CB-CG1 4.22Å; E121-V150 HydrophobicContact CG-CB 3.98Å; E121-V150 HydrophobicContact CG-CG1 4.07Å; E121-V150 HydrophobicContact CG-CG2 4.26Å; R132-V150 HydrophobicContact CG-CG1 3.81Å; C144-V150 PolarHBondContact SG-N 2.98Å; V150-A173 HydrophobicContact CB-CB 4.31Å; V150-A173 PolarHBondContact N-O 3.47Å; V150-A173 VanDerWaalsContact O-CB 3.27Å; V150-A173 WeakPolarHBondContact O-CB 3.43Å; V150-A173 PolarHBondContact O-N 3.4Å
151	C	89.1	Confident	71.5	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.027	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.8	177.8	-149.8	0	0	0	0	110.4	R132 A133 C141	R132-C151 WeakPolarHBondContact CA-O 3.49Å; A133-C151 HydrophobicContact CB-CB 4.14Å; A133-C151 PolarHBondContact N-O 2.84Å; C141-C151 WeakPolarHBondContact CA-SG 3.29Å; C141-C151 HydrophobicContact CB-CB 3.55Å; C141-C151 WeakPolarHBondContact CB-SG 3.32Å; C141-C151 WeakPolarHBondContact SG-CB 3.31Å; C141-C151 CovalentContact SG-SG 2.04Å; C141-C151 PolarHBondContact SG-SG 3.4Å
152	V	88.4	Confident	69.4	Low	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.4	-176.3	-69.7	0	0	0	0	111.5	E121 V123 L130 P131 L170 Q171 A173	E121-V152 HydrophobicContact CB-CG1 3.86Å; V123-V152 HydrophobicContact CG2-CG1 4.18Å; V123-V152 HydrophobicContact CG2-CG2 4.05Å; L130-V152 HydrophobicContact CB-CB 3.95Å; L130-V152 HydrophobicContact CB-CG1 4.26Å; L130-V152 HydrophobicContact CB-CG2 4.37Å; L130-V152 HydrophobicContact CD1-CG2 4.24Å; P131-V152 CarbonylContact O-C 3.5Å; P131-V152 VanDerWaalsContact O-CA 3.31Å; P131-V152 WeakPolarHBondContact O-CA 3.45Å; V152-L170 CarbonylContact O-C 3.6Å; V152-L170 WeakPolarHBondContact O-CA 3.38Å; V152-Q171 HydrophobicContact CG2-CB 4.09Å; V152-Q171 VanDerWaalsContact CG2-O 3.24Å; V152-Q171 WeakPolarHBondContact CG2-O 3.44Å; V152-Q171 PolarHBondContact N-O 3.29Å; V152-Q171 PolarHBondContact O-N 2.91Å; V152-A173 HydrophobicContact CG1-CB 4.04Å; V152-A173 HydrophobicContact CG2-CB 4.44Å
153	V	86.6	Confident	67.1	Low	38 Å²	38	71 Å²	71	23%	0.23	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.9	173.4	-168.5	0	0	0	0	109.9	P131 A133 N155 N169 L170	P131-V153 WeakPolarHBondContact CD-O 3.48Å; P131-V153 HydrophobicContact CG-CB 4.26Å; P131-V153 PolarHBondContact O-N 3.47Å; A133-V153 HydrophobicContact CB-CG2 3.82Å; V153-N155 WeakPolarHBondContact CG1-OD1 3.16Å; V153-N169 CarbonylContact C-O 3.57Å; V153-N169 WeakPolarHBondContact CA-O 3.4Å; V153-N169 HydrophobicContact CG1-CB 3.94Å; V153-L170 HydrophobicContact CG2-CD2 4.02Å
154	N	80.1	Confident	65	Low	5 Å²	5	77.6 Å²	77.6	3%	0.027	39%	0.393	C	S	.	.			trans	-102	87.9	175.3	-165.8	-9.2	0	0	0	111.4	H126 L130 R156 N169 Q171	H126-N154 PolarHBondContact CE1-ND2 3.13Å; H126-N154 PolarHBondContact NE2-ND2 3.29Å; L130-N154 HydrophobicContact CD1-CB 3.74Å; N154-R156 PolarHBondContact O-N 3.33Å; N154-R156 VanDerWaalsContact O-N 3.14Å; N154-R156 VanDerWaalsContact OD1-CB 3.29Å; N154-R156 WeakPolarHBondContact OD1-CB 3.3Å; N154-R156 PolarHBondContact OD1-N 3.2Å; N154-N169 PolarHBondContact N-O 3.23Å; N154-Q171 VanDerWaalsContact CB-CD 3.49Å; N154-Q171 HydrophobicContact CB-CG 4.17Å; N154-Q171 PolarHBondContact ND2-NE2 3.19Å; N154-Q171 VanDerWaalsContact ND2-NE2 3.16Å; N154-Q171 PolarHBondContact ND2-OE1 3.49Å
155	N	70.2	Confident	62.8	Low	111 Å²	111	87.5 Å²	87.5	59%	0.594	43%	0.432	S	S	*	.			trans	-73.6	4.4	177.3	-69.7	-31.6	0	0	0	114.1	V153 K157 N169	V153-N155 WeakPolarHBondContact CG1-OD1 3.16Å; N155-K157 PolarHBondContact O-N 3.01Å; N155-N169 PolarHBondContact OD1-ND2 3.48Å
156	R	62.3	Low	61	Low	102 Å²	102	88.2 Å²	88.2	39%	0.385	43%	0.431	S	S	.	.			trans	-84.2	98.2	177.9	-63.6	171.6	151.4	-154.7	-15.2	110.1	H103 S128 N154 N158 G159	H103-R156 PolarHBondContact CD2-NH2 3.49Å; H103-R156 PolarHBondContact CE1-NH2 3.43Å; H103-R156 VanDerWaalsContact CE1-NH2 3.34Å; H103-R156 PolarHBondContact ND1-NH2 2.88Å; H103-R156 PolarHBondContact NE2-NH2 2.89Å; S128-R156 PolarHBondContact OG-NH1 3.31Å; N154-R156 PolarHBondContact O-N 3.33Å; N154-R156 VanDerWaalsContact O-N 3.14Å; N154-R156 VanDerWaalsContact OD1-CB 3.29Å; N154-R156 WeakPolarHBondContact OD1-CB 3.3Å; N154-R156 PolarHBondContact OD1-N 3.2Å; R156-N158 PolarHBondContact O-N 2.92Å; R156-G159 PolarHBondContact O-N 2.92Å
157	K	46.9	Very low	59.5	Low	186 Å²	186	91 Å²	91	81%	0.809	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	2.6	-178.4	-65.4	-172.5	172.5	-173.3	0	116.9	N155	N155-K157 PolarHBondContact O-N 3.01Å
158	N	42.8	Very low	58.6	Low	159 Å²	159	95.4 Å²	95.4	85%	0.85	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	9.6	-171	-64.3	11.2	0	0	0	114.1	R156	R156-N158 PolarHBondContact O-N 2.92Å
159	G	37.8	Very low	58.4	Low	23 Å²	23	95.4 Å²	95.4	24%	0.237	47%	0.474	C	S	.	.	S	Bend	trans	-79.1	146.8	172.2	0	0	0	0	0	111.4	R156 L161	R156-G159 PolarHBondContact O-N 2.92Å; G159-L161 PolarHBondContact O-N 3.44Å
160	L	36	Very low	58.2	Low	142 Å²	142	96 Å²	96	74%	0.743	48%	0.475	S	S	*	.			trans	-55.4	100.1	172.1	-75.8	163.3	0	0	0	109.6	N193	L160-N193 PolarHBondContact O-ND2 3.45Å
161	L	35.9	Very low	58	Low	101 Å²	101	94.9 Å²	94.9	53%	0.529	47%	0.467	S	S	.	.			trans	-103.8	134.6	-175.5	-103.5	165	0	0	0	108.7	G159 Q171	G159-L161 PolarHBondContact O-N 3.44Å; L161-Q171 HydrophobicContact CD2-CG 4.29Å
162	L	39.9	Very low	57.7	Low	73 Å²	73	95.1 Å²	95.1	38%	0.382	47%	0.469	S	S	.	.			trans	-53.2	145.1	164.5	-95.4	69.7	0	0	0	109.3	D190 N193	L162-D190 VanDerWaalsContact CD2-O 3.3Å; L162-D190 WeakPolarHBondContact CD2-O 3.48Å; L162-N193 WeakPolarHBondContact CD1-OD1 3.02Å
163	N	34.8	Very low	57.6	Low	145 Å²	145	95.5 Å²	95.5	78%	0.775	47%	0.472	S	S	*	.			trans	-32.7	143.1	-179.4	-61.2	-35.8	0	0	0	114.6	Y165	N163-Y165 PolarHBondContact O-N 3.18Å
164	D	38.1	Very low	57.3	Low	176 Å²	176	94.4 Å²	94.4	94%	0.941	47%	0.466	S	S	*	.	S	Bend	trans	-51.3	43.2	-173.5	-58.9	-65.6	0	0	0	118.4
165	Y	40.5	Very low	56.9	Low	208 Å²	208	95.8 Å²	95.8	82%	0.816	48%	0.475	S	S	*	.			trans	-106.7	-13.4	-173.1	-139.1	-91	0	0	0	114.1	N163	N163-Y165 PolarHBondContact O-N 3.18Å
166	Y	46.9	Very low	56.7	Low	115 Å²	115	95.3 Å²	95.3	45%	0.451	47%	0.465	S	S	.	.			trans	-111	110.2	171	-70.8	-76.8	0	0	0	109.2	L140 D168	L140-Y166 HydrophobicContact CB-CD1 3.93Å; L140-Y166 HydrophobicContact CB-CE1 3.78Å; L140-Y166 HydrophobicContact CD1-CD1 4.31Å; L140-Y166 HydrophobicContact CD1-CD2 4.14Å; L140-Y166 HydrophobicContact CD1-CE1 4.03Å; L140-Y166 HydrophobicContact CD1-CE2 3.84Å; L140-Y166 HydrophobicContact CD1-CG 4.36Å; L140-Y166 HydrophobicContact CD2-CD1 4.22Å; L140-Y166 HydrophobicContact CD2-CG 4.16Å; L140-Y166 HydrophobicContact CG-CD1 4.39Å; L140-Y166 HydrophobicContact CG-CE1 4.37Å; Y166-D168 PolarHBondContact O-N 2.9Å
167	Q	48.5	Very low	56.8	Low	198 Å²	198	97.9 Å²	97.9	93%	0.925	48%	0.479	S	S	*	.			trans	-79.5	-1.9	-168.6	-131.6	180	3	0	0	114.4
168	D	58.7	Low	57.3	Low	94 Å²	94	90.7 Å²	90.7	50%	0.503	45%	0.451	S	S	.	.	S	Bend	trans	-109.8	153.1	176.6	-60.7	-57.1	0	0	0	109.8	N138 Y166 L170	N138-D168 PolarHBondContact ND2-OD2 3.34Å; Y166-D168 PolarHBondContact O-N 2.9Å; D168-L170 HydrophobicContact CB-CB 4.44Å; D168-L170 HydrophobicContact CB-CD1 3.85Å; D168-L170 HydrophobicContact CB-CG 3.93Å; D168-L170 PolarHBondContact O-N 3.5Å
169	N	73.8	Confident	58	Low	79 Å²	79	87.7 Å²	87.7	42%	0.422	44%	0.435	S	S	.	.	S	Bend	trans	-67.4	26.2	177	-67.8	-20.3	0	0	0	113.6	V153 N154 N155	V153-N169 CarbonylContact C-O 3.57Å; V153-N169 WeakPolarHBondContact CA-O 3.4Å; V153-N169 HydrophobicContact CG1-CB 3.94Å; N154-N169 PolarHBondContact N-O 3.23Å; N155-N169 PolarHBondContact OD1-ND2 3.48Å
170	L	78.5	Confident	58.7	Low	17 Å²	17	92.6 Å²	92.6	9%	0.089	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.1	-174.7	-66.6	170.1	0	0	0	111.4	A133 N138 L140 V152 V153 D168	A133-L170 HydrophobicContact CB-CD2 3.27Å; N138-L170 HydrophobicContact CB-CD1 4.01Å; N138-L170 VanDerWaalsContact ND2-CD1 3.3Å; N138-L170 WeakPolarHBondContact ND2-CD1 3.05Å; L140-L170 HydrophobicContact CD2-CB 3.88Å; L140-L170 VanDerWaalsContact CD2-O 3.31Å; L140-L170 WeakPolarHBondContact CD2-O 3.49Å; V152-L170 CarbonylContact O-C 3.6Å; V152-L170 WeakPolarHBondContact O-CA 3.38Å; V153-L170 HydrophobicContact CG2-CD2 4.02Å; D168-L170 HydrophobicContact CB-CB 4.44Å; D168-L170 HydrophobicContact CB-CD1 3.85Å; D168-L170 HydrophobicContact CB-CG 3.93Å; D168-L170 PolarHBondContact O-N 3.5Å
171	Q	82.6	Confident	59.5	Low	16 Å²	16	89 Å²	89	8%	0.075	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	162.3	176.6	-64.4	178.4	2.9	0	0	110.2	H126 V152 N154 L161	H126-Q171 PolarHBondContact CD2-OE1 2.75Å; H126-Q171 PolarHBondContact NE2-OE1 2.86Å; V152-Q171 HydrophobicContact CG2-CB 4.09Å; V152-Q171 VanDerWaalsContact CG2-O 3.24Å; V152-Q171 WeakPolarHBondContact CG2-O 3.44Å; V152-Q171 PolarHBondContact N-O 3.29Å; V152-Q171 PolarHBondContact O-N 2.91Å; N154-Q171 VanDerWaalsContact CB-CD 3.49Å; N154-Q171 HydrophobicContact CB-CG 4.17Å; N154-Q171 PolarHBondContact ND2-NE2 3.19Å; N154-Q171 VanDerWaalsContact ND2-NE2 3.16Å; N154-Q171 PolarHBondContact ND2-OE1 3.49Å; L161-Q171 HydrophobicContact CD2-CG 4.29Å
172	C	83.4	Confident	60.4	Low	9 Å²	9	85.5 Å²	85.5	6%	0.061	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.7	174.5	-169.3	0	0	0	0	112.2	C144 C174 L191	C144-C172 WeakPolarHBondContact CA-SG 3.26Å; C144-C172 HydrophobicContact CB-CB 3.62Å; C144-C172 WeakPolarHBondContact CB-SG 3.16Å; C144-C172 WeakPolarHBondContact SG-CA 3.04Å; C144-C172 WeakPolarHBondContact SG-CB 3.16Å; C144-C172 CovalentContact SG-SG 2.03Å; C144-C172 PolarHBondContact SG-SG 2.91Å; C172-C174 PolarHBondContact O-N 3.31Å; C172-C174 VanDerWaalsContact O-N 3.12Å; C172-L191 WeakPolarHBondContact CB-O 3.37Å
173	A	85.8	Confident	61.1	Low	8 Å²	8	85.6 Å²	85.6	7%	0.066	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	89.3	164	0	0	0	0	0	108.7	E121 V123 G149 V150 V152	E121-A173 HydrophobicContact CG-CB 3.99Å; V123-A173 HydrophobicContact CG2-CB 3.84Å; G149-A173 WeakPolarHBondContact CA-O 3.32Å; V150-A173 HydrophobicContact CB-CB 4.31Å; V150-A173 PolarHBondContact N-O 3.47Å; V150-A173 VanDerWaalsContact O-CB 3.27Å; V150-A173 WeakPolarHBondContact O-CB 3.43Å; V150-A173 PolarHBondContact O-N 3.4Å; V152-A173 HydrophobicContact CG1-CB 4.04Å; V152-A173 HydrophobicContact CG2-CB 4.44Å
174	C	79.6	Confident	61.9	Low	16 Å²	16	86.2 Å²	86.2	11%	0.108	42%	0.422	C	S	.	.			trans	-73.5	150.7	-174.7	-61.7	0	0	0	0	113.1	C172 F188 C192	C172-C174 PolarHBondContact O-N 3.31Å; C172-C174 VanDerWaalsContact O-N 3.12Å; C174-F188 HydrophobicContact CB-CZ 4.37Å; C174-C192 HydrophobicContact CB-CB 3.92Å; C174-C192 WeakPolarHBondContact CB-SG 3.37Å; C174-C192 VanDerWaalsContact SG-CA 3.51Å; C174-C192 WeakPolarHBondContact SG-CB 3.01Å; C174-C192 CovalentContact SG-SG 2.03Å; C174-C192 PolarHBondContact SG-SG 3.21Å
175	P	73	Confident	62.6	Low	34 Å²	34	85.1 Å²	85.1	22%	0.221	41%	0.409	C	S	.	.			trans	-64.4	137.1	177.5	27.4	-35.7	0	0	0	111.7	I147 K177 P178	I147-P175 WeakPolarHBondContact O-CG 3.08Å; P175-K177 PolarHBondContact O-N 2.94Å; P175-K177 VanDerWaalsContact O-N 3.1Å; P175-P178 HydrophobicContact CG-CB 4.32Å
176	R	65.7	Low	63.4	Low	100 Å²	100	78.2 Å²	78.2	38%	0.377	38%	0.382	S	S	.	.	S	Bend	trans	-52.8	-34.6	-179.3	-60.2	-172.9	-161.4	-164.1	-4	113.9	F124 N252 L253	F124-R176 HydrophobicContact CD2-CG 3.88Å; F124-R176 HydrophobicContact CE2-CG 3.55Å; F124-R176 VanDerWaalsContact CE2-CZ 3.47Å; F124-R176 VanDerWaalsContact CZ-CD 3.49Å; F124-R176 HydrophobicContact CZ-CG 3.95Å; R176-N252 PolarHBondContact NH1-O 3.46Å; R176-L253 PolarHBondContact NH1-O 3.37Å
177	K	64.6	Low	63.9	Low	157 Å²	157	75.8 Å²	75.8	68%	0.683	38%	0.381	S	S	*	.	S	Bend	trans	-132.7	84.4	-177.9	-67.5	178.2	-175.7	170.5	0	107.6	P175 D254	P175-K177 PolarHBondContact O-N 2.94Å; P175-K177 VanDerWaalsContact O-N 3.1Å; K177-D254 IonicContact NZ-OD2 2.68Å; K177-D254 PolarHBondContact NZ-OD2 2.78Å
178	P	56.6	Low	64.3	Low	34 Å²	34	67.5 Å²	67.5	22%	0.221	34%	0.342	C	S	.	.			trans	-65	149.9	177.5	29.3	-37.1	0	0	0	110.8	P175 I183 F188	P175-P178 HydrophobicContact CG-CB 4.32Å; P178-I183 HydrophobicContact CB-CD1 4.38Å; P178-I183 HydrophobicContact CB-CG1 4.12Å; P178-I183 HydrophobicContact CG-CD1 3.87Å; P178-I183 HydrophobicContact CG-CG1 3.96Å; P178-F188 HydrophobicContact CB-CD2 4.33Å; P178-F188 HydrophobicContact CB-CE2 3.59Å; P178-F188 HydrophobicContact CB-CZ 3.92Å; P178-F188 HydrophobicContact CG-CE1 4.29Å; P178-F188 HydrophobicContact CG-CE2 3.84Å; P178-F188 HydrophobicContact CG-CZ 3.64Å
179	N	56.6	Low	64.3	Low	97 Å²	97	68.3 Å²	68.3	52%	0.519	34%	0.342	S	S	.	.			trans	-70.1	148.4	172.8	-66.6	-58.2	0	0	0	110.3	S181 D182 I183	N179-S181 WeakPolarHBondContact CB-OG 3.43Å; N179-S181 PolarHBondContact O-N 3.1Å; N179-D182 WeakPolarHBondContact CB-OD2 3.29Å; N179-D182 PolarHBondContact ND2-OD2 3.42Å; N179-D182 PolarHBondContact O-N 3.24Å; N179-I183 PolarHBondContact O-N 3.39Å
180	I	52.8	Low	63.7	Low	126 Å²	126	69.3 Å²	69.3	65%	0.646	35%	0.347	S	S	*	.	H	α-helix	trans	-57.6	-33.2	176	-61.7	171	0	0	0	111.2	D182 Q184	I180-D182 VanDerWaalsContact C-N 3.3Å; I180-D182 PolarHBondContact O-N 3.27Å; I180-Q184 WeakPolarHBondContact O-CG 3Å; I180-Q184 PolarHBondContact O-N 3.49Å
181	S	54	Low	63.2	Low	66 Å²	66	69.5 Å²	69.5	46%	0.462	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-35.7	172.9	51.6	0	0	0	0	113.8	N179 K185	N179-S181 WeakPolarHBondContact CB-OG 3.43Å; N179-S181 PolarHBondContact O-N 3.1Å; S181-K185 WeakPolarHBondContact O-CB 2.88Å; S181-K185 PolarHBondContact O-N 3.02Å
182	D	53.7	Low	62.6	Low	28 Å²	28	68.9 Å²	68.9	15%	0.15	35%	0.345	C	S	.	.	H	α-helix	trans	-83.1	-36.9	-170.5	-51.6	-13	0	0	0	109	N179 I180 Q184 K185 Y186	N179-D182 WeakPolarHBondContact CB-OD2 3.29Å; N179-D182 PolarHBondContact ND2-OD2 3.42Å; N179-D182 PolarHBondContact O-N 3.24Å; I180-D182 VanDerWaalsContact C-N 3.3Å; I180-D182 PolarHBondContact O-N 3.27Å; D182-Q184 VanDerWaalsContact C-N 3.32Å; D182-Q184 PolarHBondContact O-N 3.36Å; D182-K185 PolarHBondContact O-N 2.85Å; D182-Y186 PolarHBondContact O-N 3.11Å
183	I	54.7	Low	61.6	Low	74 Å²	74	69.7 Å²	69.7	38%	0.379	35%	0.349	S	S	.	.	H	α-helix	trans	-61.4	-36.7	169.9	-60.8	159.7	0	0	0	112	P178 N179	P178-I183 HydrophobicContact CB-CD1 4.38Å; P178-I183 HydrophobicContact CB-CG1 4.12Å; P178-I183 HydrophobicContact CG-CD1 3.87Å; P178-I183 HydrophobicContact CG-CG1 3.96Å; N179-I183 PolarHBondContact O-N 3.39Å
184	Q	52.1	Low	60.5	Low	159 Å²	159	70.9 Å²	70.9	74%	0.743	36%	0.356	S	S	*	.	H	α-helix	trans	-80	-20.4	-177.7	-75.4	179.1	-1.5	0	0	114.1	I180 D182	I180-Q184 WeakPolarHBondContact O-CG 3Å; I180-Q184 PolarHBondContact O-N 3.49Å; D182-Q184 VanDerWaalsContact C-N 3.32Å; D182-Q184 PolarHBondContact O-N 3.36Å
185	K	53.3	Low	60	Low	153 Å²	153	73.7 Å²	73.7	67%	0.665	37%	0.369	S	S	*	.	H	α-helix	trans	-101.7	-26.8	-169.9	-171	177.2	177.7	-168.5	0	114	S181 D182	S181-K185 WeakPolarHBondContact O-CB 2.88Å; S181-K185 PolarHBondContact O-N 3.02Å; D182-K185 PolarHBondContact O-N 2.85Å
186	Y	55.6	Low	60	Low	63 Å²	63	74.3 Å²	74.3	25%	0.247	37%	0.373	C	S	.	.	S	Bend	trans	-124.1	151.8	178.1	-59.5	-81.2	0	0	0	108.7	I147 D182 F188	I147-Y186 HydrophobicContact CG2-CD2 3.8Å; I147-Y186 HydrophobicContact CG2-CG 4.09Å; D182-Y186 PolarHBondContact O-N 3.11Å; Y186-F188 PolarHBondContact O-N 3.08Å
187	S	57.8	Low	60.5	Low	64 Å²	64	70 Å²	70	45%	0.448	36%	0.358	S	S	.	.			trans	-69.9	81.4	167.5	43.1	0	0	0	0	109	F189 D190	S187-F189 PolarHBondContact O-N 3.36Å; S187-D190 VanDerWaalsContact CB-CG 3.45Å; S187-D190 WeakPolarHBondContact CB-OD2 2.97Å; S187-D190 WeakPolarHBondContact O-CB 3.27Å; S187-D190 PolarHBondContact O-N 3.37Å; S187-D190 VanDerWaalsContact OG-CG 3.28Å; S187-D190 PolarHBondContact OG-OD2 2.91Å
188	F	57.9	Low	61.3	Low	24 Å²	24	62.7 Å²	62.7	11%	0.105	33%	0.326	C	S	.	.	H	α-helix	trans	-52.8	-32.9	-178.4	-174.6	-94.9	0	0	0	111.9	I147 C174 P178 Y186 D190 L191 C192	I147-F188 HydrophobicContact CD1-CD2 4.24Å; I147-F188 HydrophobicContact CD1-CE2 4.27Å; C174-F188 HydrophobicContact CB-CZ 4.37Å; P178-F188 HydrophobicContact CB-CD2 4.33Å; P178-F188 HydrophobicContact CB-CE2 3.59Å; P178-F188 HydrophobicContact CB-CZ 3.92Å; P178-F188 HydrophobicContact CG-CE1 4.29Å; P178-F188 HydrophobicContact CG-CE2 3.84Å; P178-F188 HydrophobicContact CG-CZ 3.64Å; Y186-F188 PolarHBondContact O-N 3.08Å; F188-D190 VanDerWaalsContact C-N 3.34Å; F188-D190 PolarHBondContact O-N 2.94Å; F188-L191 PolarHBondContact O-N 3.22Å; F188-C192 HydrophobicContact CD1-CB 4.16Å; F188-C192 HydrophobicContact CE1-CB 3.84Å; F188-C192 HydrophobicContact CE2-CB 4.49Å; F188-C192 WeakPolarHBondContact CE2-SG 3.45Å; F188-C192 HydrophobicContact CZ-CB 4.02Å; F188-C192 VanDerWaalsContact CZ-SG 3.5Å; F188-C192 VanDerWaalsContact O-CB 3.22Å; F188-C192 WeakPolarHBondContact O-CB 3.25Å; F188-C192 PolarHBondContact O-N 2.96Å
189	F	57.7	Low	62.4	Low	111 Å²	111	62.5 Å²	62.5	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-69.2	-20.9	175.4	-62	-80.3	0	0	0	115.2	S187 I195	S187-F189 PolarHBondContact O-N 3.36Å; F189-I195 HydrophobicContact CE1-CD1 3.57Å; F189-I195 HydrophobicContact CE1-CG1 3.92Å; F189-I195 HydrophobicContact CZ-CD1 3.83Å
190	D	61.8	Low	63.6	Low	100 Å²	100	58.3 Å²	58.3	54%	0.535	30%	0.303	S	S	.	.	H	α-helix	trans	-86.8	-20.6	178.2	-59	-9.9	0	0	0	111.7	L162 S187 F188	L162-D190 VanDerWaalsContact CD2-O 3.3Å; L162-D190 WeakPolarHBondContact CD2-O 3.48Å; S187-D190 VanDerWaalsContact CB-CG 3.45Å; S187-D190 WeakPolarHBondContact CB-OD2 2.97Å; S187-D190 WeakPolarHBondContact O-CB 3.27Å; S187-D190 PolarHBondContact O-N 3.37Å; S187-D190 VanDerWaalsContact OG-CG 3.28Å; S187-D190 PolarHBondContact OG-OD2 2.91Å; F188-D190 VanDerWaalsContact C-N 3.34Å; F188-D190 PolarHBondContact O-N 2.94Å
191	L	68.5	Low	64.8	Low	20 Å²	20	55 Å²	55	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-102.7	-32.4	-179.4	-78.3	153.5	0	0	0	112.8	L140 D143 I147 C172 F188	L140-L191 HydrophobicContact CD1-CD2 3.89Å; D143-L191 HydrophobicContact CB-CD1 3.98Å; D143-L191 HydrophobicContact CB-CD2 3.67Å; D143-L191 HydrophobicContact CB-CG 4.44Å; I147-L191 HydrophobicContact CD1-CB 4.08Å; I147-L191 HydrophobicContact CD1-CD1 4.4Å; C172-L191 WeakPolarHBondContact CB-O 3.37Å; F188-L191 PolarHBondContact O-N 3.22Å
192	C	68.4	Low	65.9	Low	3 Å²	3	54.4 Å²	54.4	2%	0.02	28%	0.275	C	S	.	.	S	Bend	trans	-113.5	124.2	-176.4	-55.7	0	0	0	0	110.5	I147 C174 F188	I147-C192 VanDerWaalsContact CD1-SG 3.56Å; C174-C192 HydrophobicContact CB-CB 3.92Å; C174-C192 WeakPolarHBondContact CB-SG 3.37Å; C174-C192 VanDerWaalsContact SG-CA 3.51Å; C174-C192 WeakPolarHBondContact SG-CB 3.01Å; C174-C192 CovalentContact SG-SG 2.03Å; C174-C192 PolarHBondContact SG-SG 3.21Å; F188-C192 HydrophobicContact CD1-CB 4.16Å; F188-C192 HydrophobicContact CE1-CB 3.84Å; F188-C192 HydrophobicContact CE2-CB 4.49Å; F188-C192 WeakPolarHBondContact CE2-SG 3.45Å; F188-C192 HydrophobicContact CZ-CB 4.02Å; F188-C192 VanDerWaalsContact CZ-SG 3.5Å; F188-C192 VanDerWaalsContact O-CB 3.22Å; F188-C192 WeakPolarHBondContact O-CB 3.25Å; F188-C192 PolarHBondContact O-N 2.96Å
193	N	64.5	Low	67.2	Low	27 Å²	27	53.5 Å²	53.5	14%	0.144	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-47.7	152.5	167.2	-91	28.8	0	0	0	111.8	Q125 L160 L162	Q125-N193 HydrophobicContact CB-CB 3.92Å; Q125-N193 HydrophobicContact CG-CB 3.72Å; L160-N193 PolarHBondContact O-ND2 3.45Å; L162-N193 WeakPolarHBondContact CD1-OD1 3.02Å
194	P	62.4	Low	68.1	Low	32 Å²	32	52.9 Å²	52.9	21%	0.208	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-47.1	148.4	-166.3	15.7	-32.8	0	0	0	115.1	P196 N207 V209	P194-P196 VanDerWaalsContact O-CD 3.29Å; P194-P196 WeakPolarHBondContact O-CD 3.38Å; P194-P196 VanDerWaalsContact O-N 3.12Å; P194-N207 WeakPolarHBondContact CB-O 2.97Å; P194-V209 HydrophobicContact CB-CG2 4.19Å; P194-V209 HydrophobicContact CG-CG2 3.83Å
195	I	67.9	Low	68.8	Low	76 Å²	76	51.9 Å²	51.9	39%	0.39	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	116.4	-173.4	-62.4	176.9	0	0	0	108.9	F189 V197 N207 K208 V209	F189-I195 HydrophobicContact CE1-CD1 3.57Å; F189-I195 HydrophobicContact CE1-CG1 3.92Å; F189-I195 HydrophobicContact CZ-CD1 3.83Å; I195-V197 HydrophobicContact CG2-CG1 4.45Å; I195-V197 PolarHBondContact O-N 3.41Å; I195-N207 PolarHBondContact N-O 3.29Å; I195-K208 WeakPolarHBondContact O-CA 3.49Å; I195-V209 PolarHBondContact O-N 3.48Å
196	P	73.8	Confident	69.2	Low	46 Å²	46	50.8 Å²	50.8	30%	0.299	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.7	177	31.7	-34.4	0	0	0	109.1	P194 V209 I211	P194-P196 VanDerWaalsContact O-CD 3.29Å; P194-P196 WeakPolarHBondContact O-CD 3.38Å; P194-P196 VanDerWaalsContact O-N 3.12Å; P196-V209 CarbonylContact C-O 3.36Å; P196-V209 VanDerWaalsContact CA-O 3.26Å; P196-V209 WeakPolarHBondContact CA-O 3.26Å; P196-I211 HydrophobicContact CB-CD1 3.99Å; P196-I211 HydrophobicContact CB-CG1 3.85Å; P196-I211 HydrophobicContact CG-CD1 4.38Å
197	V	76.1	Confident	69.5	Low	10 Å²	10	52.1 Å²	52.1	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.3	-178.3	-67.2	0	0	0	0	111.8	I195 E201 C203 K208 V209 C210 I211	I195-V197 HydrophobicContact CG2-CG1 4.45Å; I195-V197 PolarHBondContact O-N 3.41Å; V197-E201 WeakPolarHBondContact CA-OE2 3.44Å; V197-E201 HydrophobicContact CB-CB 3.93Å; V197-C203 HydrophobicContact CG2-CB 3.89Å; V197-K208 HydrophobicContact CG1-CB 4.04Å; V197-K208 HydrophobicContact CG1-CD 4.15Å; V197-K208 HydrophobicContact CG1-CG 4.24Å; V197-K208 HydrophobicContact CG2-CB 4.07Å; V197-V209 WeakPolarHBondContact CG2-O 3.46Å; V197-V209 PolarHBondContact N-O 3.5Å; V197-C210 CarbonylContact O-C 3.56Å; V197-C210 WeakPolarHBondContact O-CA 3.47Å; V197-I211 WeakPolarHBondContact O-CG1 3.45Å; V197-I211 PolarHBondContact O-N 3.36Å
198	D	80.5	Confident	70	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	27%	0.268	C	S	.	.			trans	-75.5	169.6	-169.5	-155.7	-2.4	0	0	0	112.5	G200 E201 C239 Y255 F256 K355	D198-G200 PolarHBondContact O-N 3.42Å; D198-E201 HydrophobicContact CB-CG 4.11Å; D198-E201 PolarHBondContact N-OE2 3.49Å; D198-E201 VanDerWaalsContact O-CB 3.31Å; D198-E201 WeakPolarHBondContact O-CB 3.33Å; D198-E201 PolarHBondContact O-N 3.08Å; D198-C239 WeakPolarHBondContact O-CB 3.43Å; D198-Y255 WeakPolarHBondContact OD2-CA 3.25Å; D198-F256 PolarHBondContact OD1-N 3.24Å; D198-K355 WeakPolarHBondContact OD2-CE 3.13Å; D198-K355 IonicContact OD2-NZ 2.68Å; D198-K355 PolarHBondContact OD2-NZ 3.05Å
199	I	81	Confident	70.8	Confident	29 Å²	29	54 Å²	54	15%	0.149	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	128.5	177.2	-58.7	-176.4	0	0	0	109.4	E201 A215 C239 C241 P247 F256 C258	I199-E201 VanDerWaalsContact C-N 3.34Å; I199-A215 HydrophobicContact CD1-CB 4.49Å; I199-A215 HydrophobicContact CG1-CB 4.37Å; I199-C239 WeakPolarHBondContact CG2-O 3.45Å; I199-C241 VanDerWaalsContact CD1-SG 3.6Å; I199-P247 HydrophobicContact CD1-CB 3.8Å; I199-P247 HydrophobicContact CG2-CB 4.15Å; I199-F256 HydrophobicContact CB-CB 4.05Å; I199-F256 HydrophobicContact CD1-CB 3.82Å; I199-F256 VanDerWaalsContact CD1-O 3.3Å; I199-F256 WeakPolarHBondContact CD1-O 3.42Å; I199-F256 HydrophobicContact CG1-CB 4.03Å; I199-C258 WeakPolarHBondContact CD1-SG 3.44Å
200	G	80.7	Confident	71.8	Confident	10 Å²	10	49.4 Å²	49.4	10%	0.103	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-10.9	-171.7	0	0	0	0	0	114.9	D198 C239 L351	D198-G200 PolarHBondContact O-N 3.42Å; G200-C239 PolarHBondContact N-O 3.31Å; G200-L351 VanDerWaalsContact O-CD1 3.31Å; G200-L351 WeakPolarHBondContact O-CD1 3.42Å; G200-L351 WeakPolarHBondContact O-CD2 3.38Å
201	E	77.6	Confident	72.7	Confident	55 Å²	55	45.8 Å²	45.8	26%	0.257	24%	0.241	S	C	.	.	S	Bend	trans	-80	152.5	175.9	-64.1	-179.3	175.6	0	0	111.9	V197 D198 I199 C203 I238 C239 K355	V197-E201 WeakPolarHBondContact CA-OE2 3.44Å; V197-E201 HydrophobicContact CB-CB 3.93Å; D198-E201 HydrophobicContact CB-CG 4.11Å; D198-E201 PolarHBondContact N-OE2 3.49Å; D198-E201 VanDerWaalsContact O-CB 3.31Å; D198-E201 WeakPolarHBondContact O-CB 3.33Å; D198-E201 PolarHBondContact O-N 3.08Å; I199-E201 VanDerWaalsContact C-N 3.34Å; E201-C203 PolarHBondContact O-N 3.23Å; E201-I238 WeakPolarHBondContact O-CA 3.48Å; E201-C239 PolarHBondContact O-N 3.44Å; E201-C239 VanDerWaalsContact O-N 3.1Å; E201-K355 IonicContact OE1-NZ 3.63Å
202	E	77.8	Confident	73.3	Confident	55 Å²	55	44.9 Å²	44.9	26%	0.257	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-63	124.4	178.9	-69.9	167.9	-155.6	0	0	111.5	K208 L236 N237 S349	E202-K208 WeakPolarHBondContact O-CD 3.48Å; E202-K208 PolarHBondContact O-NZ 3.38Å; E202-K208 IonicContact OE2-NZ 3.86Å; E202-K208 PolarHBondContact OE2-NZ 3.36Å; E202-L236 HydrophobicContact CG-CD1 4.42Å; E202-L236 HydrophobicContact CG-CD2 4.31Å; E202-N237 CarbonylContact C-O 3.54Å; E202-N237 VanDerWaalsContact CA-O 3.32Å; E202-N237 WeakPolarHBondContact CA-O 3.41Å; E202-S349 WeakPolarHBondContact OE1-CB 3.46Å; E202-S349 PolarHBondContact OE1-OG 2.94Å
203	C	80.6	Confident	73.7	Confident	9 Å²	9	50.5 Å²	50.5	6%	0.061	26%	0.263	C	S	.	.			trans	-118.7	166.4	-177.3	66.2	0	0	0	0	112.3	V197 E201 K208 C217 N237 I238 C239	V197-C203 HydrophobicContact CG2-CB 3.89Å; E201-C203 PolarHBondContact O-N 3.23Å; C203-K208 WeakPolarHBondContact CA-O 3.14Å; C203-K208 WeakPolarHBondContact CB-O 3.35Å; C203-C217 HydrophobicContact CB-CB 3.88Å; C203-C217 WeakPolarHBondContact CB-SG 3.27Å; C203-C217 WeakPolarHBondContact SG-CA 3.48Å; C203-C217 WeakPolarHBondContact SG-CB 3.36Å; C203-C217 CovalentContact SG-SG 2.03Å; C203-C217 PolarHBondContact SG-SG 2.94Å; C203-N237 PolarHBondContact N-O 3.48Å; C203-N237 VanDerWaalsContact SG-CB 3.56Å; C203-I238 PolarHBondContact SG-N 3.48Å; C203-C239 WeakPolarHBondContact CB-SG 3.46Å
204	N	74.3	Confident	74.6	Confident	60 Å²	60	52 Å²	52	32%	0.321	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-154.5	151	162.5	59	41.3	0	0	0	109.4	I206 N207 K208	N204-I206 PolarHBondContact O-N 3.44Å; N204-N207 WeakPolarHBondContact OD1-CA 3.4Å; N204-N207 PolarHBondContact OD1-N 3.19Å; N204-K208 PolarHBondContact N-O 2.97Å; N204-K208 CarbonylContact O-C 3.56Å; N204-K208 PolarHBondContact O-N 2.93Å; N204-K208 PolarHBondContact OD1-N 3.39Å
205	H	66.4	Low	75.7	Confident	138 Å²	138	51.1 Å²	51.1	64%	0.639	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	16.4	-174.2	-50	-75.7	0	0	0	114.9	C217	H205-C217 PolarHBondContact CE1-O 3.46Å
206	I	63	Low	76.6	Confident	130 Å²	130	50.1 Å²	50.1	67%	0.667	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	-58.8	-173	-43.4	179.3	0	0	0	110.8	N204	N204-I206 PolarHBondContact O-N 3.44Å
207	N	61.6	Low	77.2	Confident	92 Å²	92	49 Å²	49	49%	0.492	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-18.9	-168.4	-65.7	-1.6	0	0	0	114.2	P194 I195 N204	P194-N207 WeakPolarHBondContact CB-O 2.97Å; I195-N207 PolarHBondContact N-O 3.29Å; N204-N207 WeakPolarHBondContact OD1-CA 3.4Å; N204-N207 PolarHBondContact OD1-N 3.19Å
208	K	67.1	Low	77.5	Confident	71 Å²	71	53 Å²	53	31%	0.309	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	85.4	-176	-65.7	-168.9	-177.2	-177.2	0	110.5	I195 V197 E202 C203 N204	I195-K208 WeakPolarHBondContact O-CA 3.49Å; V197-K208 HydrophobicContact CG1-CB 4.04Å; V197-K208 HydrophobicContact CG1-CD 4.15Å; V197-K208 HydrophobicContact CG1-CG 4.24Å; V197-K208 HydrophobicContact CG2-CB 4.07Å; E202-K208 WeakPolarHBondContact O-CD 3.48Å; E202-K208 PolarHBondContact O-NZ 3.38Å; E202-K208 IonicContact OE2-NZ 3.86Å; E202-K208 PolarHBondContact OE2-NZ 3.36Å; C203-K208 WeakPolarHBondContact CA-O 3.14Å; C203-K208 WeakPolarHBondContact CB-O 3.35Å; N204-K208 PolarHBondContact N-O 2.97Å; N204-K208 CarbonylContact O-C 3.56Å; N204-K208 PolarHBondContact O-N 2.93Å; N204-K208 PolarHBondContact OD1-N 3.39Å
209	V	74.7	Confident	77	Confident	57 Å²	57	59.4 Å²	59.4	35%	0.345	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	146.7	-176.8	-178	0	0	0	0	109.8	P194 I195 P196 V197	P194-V209 HydrophobicContact CB-CG2 4.19Å; P194-V209 HydrophobicContact CG-CG2 3.83Å; I195-V209 PolarHBondContact O-N 3.48Å; P196-V209 CarbonylContact C-O 3.36Å; P196-V209 VanDerWaalsContact CA-O 3.26Å; P196-V209 WeakPolarHBondContact CA-O 3.26Å; V197-V209 WeakPolarHBondContact CG2-O 3.46Å; V197-V209 PolarHBondContact N-O 3.5Å
210	C	80.1	Confident	76	Confident	14 Å²	14	61.4 Å²	61.4	10%	0.095	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140.3	179	-56.6	0	0	0	0	112.2	V197 A215 C239	V197-C210 CarbonylContact O-C 3.56Å; V197-C210 WeakPolarHBondContact O-CA 3.47Å; C210-A215 HydrophobicContact CB-CB 3.85Å; C210-C239 WeakPolarHBondContact CA-SG 3.47Å; C210-C239 HydrophobicContact CB-CB 3.79Å; C210-C239 WeakPolarHBondContact CB-SG 3.16Å; C210-C239 VanDerWaalsContact SG-CA 3.53Å; C210-C239 WeakPolarHBondContact SG-CB 3.09Å; C210-C239 CovalentContact SG-SG 2.03Å; C210-C239 PolarHBondContact SG-SG 2.88Å
211	I	80.3	Confident	74.1	Confident	23 Å²	23	64.4 Å²	64.4	12%	0.118	33%	0.327	C	S	.	.	S	Bend	trans	-65	-54	178.4	-48	-144.8	0	0	0	110	F127 P196 V197 Q213 Y255	F127-I211 HydrophobicContact CE1-CG2 4.36Å; F127-I211 WeakPolarHBondContact CE2-O 3.38Å; F127-I211 HydrophobicContact CZ-CG2 3.61Å; F127-I211 WeakPolarHBondContact CZ-O 3.36Å; P196-I211 HydrophobicContact CB-CD1 3.99Å; P196-I211 HydrophobicContact CB-CG1 3.85Å; P196-I211 HydrophobicContact CG-CD1 4.38Å; V197-I211 WeakPolarHBondContact O-CG1 3.45Å; V197-I211 PolarHBondContact O-N 3.36Å; I211-Q213 PolarHBondContact O-N 3.43Å; I211-Y255 HydrophobicContact CB-CD2 3.86Å; I211-Y255 HydrophobicContact CB-CE2 4.22Å; I211-Y255 HydrophobicContact CB-CG 4.21Å; I211-Y255 HydrophobicContact CG2-CD1 3.64Å; I211-Y255 HydrophobicContact CG2-CD2 3.46Å; I211-Y255 VanDerWaalsContact CG2-CD2 3.46Å; I211-Y255 HydrophobicContact CG2-CE1 3.71Å; I211-Y255 HydrophobicContact CG2-CE2 3.61Å; I211-Y255 HydrophobicContact CG2-CG 3.55Å
212	S	79.6	Confident	72.3	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.014	34%	0.339	C	S	.	.	S	Bend	trans	-64.1	128.6	175.9	172.5	0	0	0	0	111.2	K214 A215 E257 C258	S212-K214 PolarHBondContact O-N 3.42Å; S212-K214 VanDerWaalsContact O-N 3.11Å; S212-K214 PolarHBondContact OG-N 3.19Å; S212-K214 VanDerWaalsContact OG-N 3.16Å; S212-A215 PolarHBondContact O-N 3.17Å; S212-E257 VanDerWaalsContact CB-OE1 3.27Å; S212-E257 WeakPolarHBondContact CB-OE1 3.45Å; S212-E257 PolarHBondContact OG-OE1 2.75Å; S212-C258 PolarHBondContact OG-N 2.04Å; S212-C258 PolarHBondContact OG-SG 3.24Å
213	Q	78.1	Confident	70.3	Confident	121 Å²	121	69.9 Å²	69.9	57%	0.565	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.4	173.6	-64.6	-164.1	-38.4	0	0	113.9	H126 F127 I211	H126-Q213 PolarHBondContact O-NE2 3.12Å; F127-Q213 HydrophobicContact CB-CG 4.21Å; F127-Q213 HydrophobicContact CD2-CG 3.42Å; F127-Q213 VanDerWaalsContact CD2-CG 3.42Å; F127-Q213 HydrophobicContact CE2-CG 4.17Å; F127-Q213 HydrophobicContact CG-CG 3.94Å; I211-Q213 PolarHBondContact O-N 3.43Å
214	K	83.9	Confident	68.2	Low	57 Å²	57	76.1 Å²	76.1	25%	0.248	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	15.3	178.7	-58.3	174.2	-170.2	165.4	0	111.9	S212 H242 W245 C258	S212-K214 PolarHBondContact O-N 3.42Å; S212-K214 VanDerWaalsContact O-N 3.11Å; S212-K214 PolarHBondContact OG-N 3.19Å; S212-K214 VanDerWaalsContact OG-N 3.16Å; K214-H242 PolarHBondContact O-CD2 3.43Å; K214-H242 VanDerWaalsContact O-CD2 3.27Å; K214-H242 PolarHBondContact O-N 3.29Å; K214-W245 HydrophobicContact CD-CD2 4Å; K214-W245 HydrophobicContact CD-CE3 3.51Å; K214-W245 HydrophobicContact CD-CH2 3.74Å; K214-W245 HydrophobicContact CD-CZ2 4.11Å; K214-W245 HydrophobicContact CD-CZ3 3.41Å; K214-W245 VanDerWaalsContact CD-CZ3 3.41Å; K214-W245 VanDerWaalsContact NZ-CH2 3.29Å; K214-C258 HydrophobicContact CB-CB 3.86Å
215	A	85	Confident	66.4	Low	14 Å²	14	79.2 Å²	79.2	12%	0.116	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.8	166.6	0	0	0	0	0	111	I199 C210 S212 V240	I199-A215 HydrophobicContact CD1-CB 4.49Å; I199-A215 HydrophobicContact CG1-CB 4.37Å; C210-A215 HydrophobicContact CB-CB 3.85Å; S212-A215 PolarHBondContact O-N 3.17Å; A215-V240 CarbonylContact C-O 3.55Å; A215-V240 WeakPolarHBondContact CA-O 3.5Å; A215-V240 VanDerWaalsContact CB-O 3.3Å; A215-V240 WeakPolarHBondContact CB-O 3.29Å
216	I	86.3	Confident	64.8	Low	56 Å²	56	79.5 Å²	79.5	29%	0.287	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	148.1	173.9	54.2	173.7	0	0	0	110.5	H218 C239 V240 H242	I216-H218 PolarHBondContact O-N 3.19Å; I216-C239 WeakPolarHBondContact O-CA 3.43Å; I216-V240 HydrophobicContact CD1-CG2 4.3Å; I216-V240 HydrophobicContact CG1-CG2 3.74Å; I216-V240 PolarHBondContact N-O 3.21Å; I216-V240 PolarHBondContact O-N 3.21Å; I216-H242 WeakPolarHBondContact CG2-CE1 3.23Å; I216-H242 WeakPolarHBondContact CG2-NE2 3.37Å
217	C	85.8	Confident	63.2	Low	21 Å²	21	82.8 Å²	82.8	14%	0.142	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	89.2	169.8	-176.6	0	0	0	0	109.1	C203 H205 N237	C203-C217 HydrophobicContact CB-CB 3.88Å; C203-C217 WeakPolarHBondContact CB-SG 3.27Å; C203-C217 WeakPolarHBondContact SG-CA 3.48Å; C203-C217 WeakPolarHBondContact SG-CB 3.36Å; C203-C217 CovalentContact SG-SG 2.03Å; C203-C217 PolarHBondContact SG-SG 2.94Å; H205-C217 PolarHBondContact CE1-O 3.46Å; C217-N237 WeakPolarHBondContact SG-CB 3.13Å
218	H	82.2	Confident	61.8	Low	94 Å²	94	83.7 Å²	83.7	44%	0.435	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.4	-174.7	-172.6	92.2	0	0	0	110.9	I216 N220 N237 I238 V240	I216-H218 PolarHBondContact O-N 3.19Å; H218-N220 PolarHBondContact O-N 3.49Å; H218-N237 CarbonylContact O-C 3.38Å; H218-N237 WeakPolarHBondContact O-CA 3.49Å; H218-N237 WeakPolarHBondContact O-CB 3.47Å; H218-I238 PolarHBondContact N-O 3.27Å; H218-I238 PolarHBondContact O-N 3.22Å; H218-V240 HydrophobicContact CB-CG2 3.51Å
219	K	70.5	Confident	60.2	Low	140 Å²	140	88.3 Å²	88.3	61%	0.609	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	115.5	173.6	-75.5	173.5	175	178.7	0	108.9	S221 N237	K219-S221 VanDerWaalsContact C-N 3.33Å; K219-S221 PolarHBondContact O-N 3.43Å; K219-N237 WeakPolarHBondContact CG-OD1 3.45Å
220	N	59.9	Low	58.2	Low	70 Å²	70	90.9 Å²	90.9	37%	0.374	47%	0.468	S	S	.	.			trans	-64.8	97.9	166.5	-83.3	-11.1	0	0	0	109.5	H218 M222 L236	H218-N220 PolarHBondContact O-N 3.49Å; N220-M222 VanDerWaalsContact C-N 3.33Å; N220-M222 PolarHBondContact O-N 3.22Å; N220-M222 VanDerWaalsContact O-N 3.11Å; N220-L236 WeakPolarHBondContact CB-O 3.48Å
221	S	40.8	Very low	55.8	Low	74 Å²	74	97.1 Å²	97.1	52%	0.517	51%	0.506	S	S	.	.			trans	-78.3	82.1	170	-177.7	0	0	0	0	109	K219 N223	K219-S221 VanDerWaalsContact C-N 3.33Å; K219-S221 PolarHBondContact O-N 3.43Å; S221-N223 PolarHBondContact O-N 2.89Å; S221-N223 WeakPolarHBondContact OG-CB 3.28Å; S221-N223 PolarHBondContact OG-ND2 3.47Å
222	M	40.2	Very low	53.7	Low	105 Å²	105	101.6 Å²	101.6	52%	0.517	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	54.2	163.2	-85.1	-159.5	148	0	0	110.6	N220 K233	N220-M222 VanDerWaalsContact C-N 3.33Å; N220-M222 PolarHBondContact O-N 3.22Å; N220-M222 VanDerWaalsContact O-N 3.11Å; M222-K233 HydrophobicContact SD-CD 4.33Å
223	N	36.2	Very low	51.8	Low	119 Å²	119	107.5 Å²	107.5	64%	0.636	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-15.4	177.9	-74.5	-5.5	0	0	0	113.2	S221	S221-N223 PolarHBondContact O-N 2.89Å; S221-N223 WeakPolarHBondContact OG-CB 3.28Å; S221-N223 PolarHBondContact OG-ND2 3.47Å
224	D	36.4	Very low	50.2	Low	141 Å²	141	109.3 Å²	109.3	75%	0.754	57%	0.568	S	S	*	*	S	Bend	trans	-97.9	19.8	-178.7	-61.6	-37	0	0	0	113.7
225	L	36.3	Very low	48.7	Very low	124 Å²	124	112 Å²	112	65%	0.649	59%	0.585	S	S	*	*	S	Bend	trans	-114.7	125.3	167.6	-123.4	78.6	0	0	0	110
226	D	32.9	Very low	47.7	Very low	144 Å²	144	115.1 Å²	115.1	77%	0.77	60%	0.599	S	S	*	*			trans	-43.6	143.8	-170.7	-98.7	-43.5	0	0	0	115.7	T228	D226-T228 PolarHBondContact O-N 3.34Å
227	Q	30.4	Very low	47.3	Very low	200 Å²	200	113.7 Å²	113.7	94%	0.935	59%	0.592	S	S	*	*	S	Bend	trans	-66.4	22.2	-170	-64	-177	-14.5	0	0	116.5
228	T	32.1	Very low	47.2	Very low	110 Å²	110	114 Å²	114	68%	0.675	59%	0.592	S	S	*	*	S	Bend	trans	-123.5	118.2	180	57.9	0	0	0	0	111.5	D226	D226-T228 PolarHBondContact O-N 3.34Å
229	Q	33.6	Very low	47.3	Very low	168 Å²	168	109.5 Å²	109.5	79%	0.785	57%	0.571	S	S	*	*	S	Bend	trans	81.9	76.6	178.5	-47.1	176	38.1	0	0	116.7
230	L	32.1	Very low	48	Very low	111 Å²	111	104.9 Å²	104.9	58%	0.581	56%	0.555	S	S	*	*			trans	-178.8	76.4	137.2	-100.8	150.6	0	0	0	113.6	T232 K233	L230-T232 PolarHBondContact O-N 2.98Å; L230-K233 HydrophobicContact CD1-CD 3.92Å; L230-K233 HydrophobicContact CD1-CG 4.46Å; L230-K233 HydrophobicContact CD2-CD 4.5Å; L230-K233 HydrophobicContact CD2-CG 4.15Å
231	T	29.8	Very low	49.3	Very low	145 Å²	145	102.4 Å²	102.4	89%	0.89	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	63.8	165.2	41.3	0	0	0	0	111.7
232	T	36.8	Very low	51.4	Low	118 Å²	118	103 Å²	103	72%	0.724	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-178.9	-5.3	162.4	15	0	0	0	0	116	L230 H234	L230-T232 PolarHBondContact O-N 2.98Å; T232-H234 PolarHBondContact O-N 3.39Å
233	K	38	Very low	53.4	Low	126 Å²	126	105.3 Å²	105.3	55%	0.548	55%	0.552	S	S	.	*			trans	-71.9	103.6	176.8	-100.6	-176.2	-168.1	173.8	0	110.3	M222 L230	M222-K233 HydrophobicContact SD-CD 4.33Å; L230-K233 HydrophobicContact CD1-CD 3.92Å; L230-K233 HydrophobicContact CD1-CG 4.46Å; L230-K233 HydrophobicContact CD2-CD 4.5Å; L230-K233 HydrophobicContact CD2-CG 4.15Å
234	H	46.1	Very low	55.6	Low	158 Å²	158	101.7 Å²	101.7	73%	0.731	54%	0.543	S	S	*	.			trans	-64.4	143	171	-81.1	-92.4	0	0	0	110.7	T232 L236	T232-H234 PolarHBondContact O-N 3.39Å; H234-L236 VanDerWaalsContact C-N 3.28Å; H234-L236 HydrophobicContact CB-CD2 4.43Å; H234-L236 HydrophobicContact CB-CG 4.49Å; H234-L236 PolarHBondContact O-N 3.43Å
235	N	52.5	Low	58.1	Low	115 Å²	115	97.9 Å²	97.9	62%	0.615	52%	0.518	S	S	*	.			trans	-66.8	88.9	167.3	-65.9	-13.8	0	0	0	108.6
236	L	62.7	Low	60.5	Low	79 Å²	79	92.4 Å²	92.4	41%	0.414	49%	0.489	S	S	.	.			trans	-81.6	118.7	177.9	-67.5	172.6	0	0	0	109.1	E202 N220 H234	E202-L236 HydrophobicContact CG-CD1 4.42Å; E202-L236 HydrophobicContact CG-CD2 4.31Å; N220-L236 WeakPolarHBondContact CB-O 3.48Å; H234-L236 VanDerWaalsContact C-N 3.28Å; H234-L236 HydrophobicContact CB-CD2 4.43Å; H234-L236 HydrophobicContact CB-CG 4.49Å; H234-L236 PolarHBondContact O-N 3.43Å
237	N	78.4	Confident	63	Low	25 Å²	25	88.1 Å²	88.1	13%	0.134	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	142.6	169.7	-52.5	1.7	0	0	0	108.7	E202 C203 C217 H218 K219	E202-N237 CarbonylContact C-O 3.54Å; E202-N237 VanDerWaalsContact CA-O 3.32Å; E202-N237 WeakPolarHBondContact CA-O 3.41Å; C203-N237 PolarHBondContact N-O 3.48Å; C203-N237 VanDerWaalsContact SG-CB 3.56Å; C217-N237 WeakPolarHBondContact SG-CB 3.13Å; H218-N237 CarbonylContact O-C 3.38Å; H218-N237 WeakPolarHBondContact O-CA 3.49Å; H218-N237 WeakPolarHBondContact O-CB 3.47Å; K219-N237 WeakPolarHBondContact CG-OD1 3.45Å
238	I	82.5	Confident	65.5	Low	27 Å²	27	79.3 Å²	79.3	14%	0.138	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.3	177.3	54.8	166.4	0	0	0	111.1	E201 C203 H218 V240	E201-I238 WeakPolarHBondContact O-CA 3.48Å; C203-I238 PolarHBondContact SG-N 3.48Å; H218-I238 PolarHBondContact N-O 3.27Å; H218-I238 PolarHBondContact O-N 3.22Å; I238-V240 HydrophobicContact CD1-CG1 4.02Å; I238-V240 HydrophobicContact CG1-CG1 4.12Å
239	C	84.5	Confident	67.9	Low	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.5	173.6	-72.5	0	0	0	0	111.4	D198 I199 G200 E201 C203 C210 I216	D198-C239 WeakPolarHBondContact O-CB 3.43Å; I199-C239 WeakPolarHBondContact CG2-O 3.45Å; G200-C239 PolarHBondContact N-O 3.31Å; E201-C239 PolarHBondContact O-N 3.44Å; E201-C239 VanDerWaalsContact O-N 3.1Å; C203-C239 WeakPolarHBondContact CB-SG 3.46Å; C210-C239 WeakPolarHBondContact CA-SG 3.47Å; C210-C239 HydrophobicContact CB-CB 3.79Å; C210-C239 WeakPolarHBondContact CB-SG 3.16Å; C210-C239 VanDerWaalsContact SG-CA 3.53Å; C210-C239 WeakPolarHBondContact SG-CB 3.09Å; C210-C239 CovalentContact SG-SG 2.03Å; C210-C239 PolarHBondContact SG-SG 2.88Å; I216-C239 WeakPolarHBondContact O-CA 3.43Å
240	V	85.8	Confident	69.8	Low	44 Å²	44	70 Å²	70	27%	0.267	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.1	176.5	-61.4	0	0	0	0	109.3	A215 I216 H218 I238	A215-V240 CarbonylContact C-O 3.55Å; A215-V240 WeakPolarHBondContact CA-O 3.5Å; A215-V240 VanDerWaalsContact CB-O 3.3Å; A215-V240 WeakPolarHBondContact CB-O 3.29Å; I216-V240 HydrophobicContact CD1-CG2 4.3Å; I216-V240 HydrophobicContact CG1-CG2 3.74Å; I216-V240 PolarHBondContact N-O 3.21Å; I216-V240 PolarHBondContact O-N 3.21Å; H218-V240 HydrophobicContact CB-CG2 3.51Å; I238-V240 HydrophobicContact CD1-CG1 4.02Å; I238-V240 HydrophobicContact CG1-CG1 4.12Å
241	C	88.2	Confident	71.8	Confident	17 Å²	17	69.3 Å²	69.3	12%	0.115	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	151.9	172.3	-69.7	0	0	0	0	111.3	I199 W245 I246 P247 C258	I199-C241 VanDerWaalsContact CD1-SG 3.6Å; C241-W245 HydrophobicContact CB-CB 3.95Å; C241-W245 WeakPolarHBondContact CB-O 3.39Å; C241-I246 VanDerWaalsContact SG-C 3.55Å; C241-P247 VanDerWaalsContact SG-N 3.44Å; C241-C258 WeakPolarHBondContact CA-SG 3.35Å; C241-C258 HydrophobicContact CB-CB 3.99Å; C241-C258 WeakPolarHBondContact CB-SG 3.11Å; C241-C258 WeakPolarHBondContact SG-CB 3.31Å; C241-C258 CovalentContact SG-SG 2.04Å; C241-C258 PolarHBondContact SG-SG 2.98Å
242	H	84.4	Confident	73.7	Confident	86 Å²	86	63.6 Å²	63.6	40%	0.398	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.2	154.8	164.7	-86	-71.9	0	0	0	111.9	K214 I216 G244 W245	K214-H242 PolarHBondContact O-CD2 3.43Å; K214-H242 VanDerWaalsContact O-CD2 3.27Å; K214-H242 PolarHBondContact O-N 3.29Å; I216-H242 WeakPolarHBondContact CG2-CE1 3.23Å; I216-H242 WeakPolarHBondContact CG2-NE2 3.37Å; H242-G244 PolarHBondContact O-N 3.31Å; H242-W245 HydrophobicContact CB-CG 4.44Å; H242-W245 WeakPolarHBondContact O-CA 3.32Å; H242-W245 VanDerWaalsContact O-CB 3.31Å; H242-W245 WeakPolarHBondContact O-CB 3.4Å; H242-W245 PolarHBondContact O-N 2.82Å
243	D	81.7	Confident	75.2	Confident	155 Å²	155	58.3 Å²	58.3	83%	0.829	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	136	174.1	-52.3	-48	0	0	0	111.3	W245	D243-W245 VanDerWaalsContact C-N 3.28Å; D243-W245 PolarHBondContact O-N 3.32Å
244	G	83.3	Confident	76.9	Confident	43 Å²	43	55.9 Å²	55.9	44%	0.443	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	3.8	-171.5	0	0	0	0	0	115.1	H242 E261	H242-G244 PolarHBondContact O-N 3.31Å; G244-E261 PolarHBondContact O-N 3.45Å
245	W	88.3	Confident	78.3	Confident	60 Å²	60	48.5 Å²	48.5	23%	0.227	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.6	174.2	-59.9	75.3	0	0	0	111.6	K214 C241 H242 D243 C258 F259 H260 I285	K214-W245 HydrophobicContact CD-CD2 4Å; K214-W245 HydrophobicContact CD-CE3 3.51Å; K214-W245 HydrophobicContact CD-CH2 3.74Å; K214-W245 HydrophobicContact CD-CZ2 4.11Å; K214-W245 HydrophobicContact CD-CZ3 3.41Å; K214-W245 VanDerWaalsContact CD-CZ3 3.41Å; K214-W245 VanDerWaalsContact NZ-CH2 3.29Å; C241-W245 HydrophobicContact CB-CB 3.95Å; C241-W245 WeakPolarHBondContact CB-O 3.39Å; H242-W245 HydrophobicContact CB-CG 4.44Å; H242-W245 WeakPolarHBondContact O-CA 3.32Å; H242-W245 VanDerWaalsContact O-CB 3.31Å; H242-W245 WeakPolarHBondContact O-CB 3.4Å; H242-W245 PolarHBondContact O-N 2.82Å; D243-W245 VanDerWaalsContact C-N 3.28Å; D243-W245 PolarHBondContact O-N 3.32Å; W245-C258 HydrophobicContact CB-CB 4.1Å; W245-C258 HydrophobicContact CE3-CB 4.46Å; W245-C258 VanDerWaalsContact CE3-O 3.31Å; W245-F259 CarbonylContact C-O 3.48Å; W245-F259 VanDerWaalsContact CA-O 3.26Å; W245-F259 WeakPolarHBondContact CA-O 2.93Å; W245-H260 HydrophobicContact CD2-CB 4.44Å; W245-H260 HydrophobicContact CE3-CB 4.15Å; W245-H260 HydrophobicContact CH2-CB 3.88Å; W245-H260 HydrophobicContact CZ2-CB 4.25Å; W245-H260 AromaticContact CZ2-CD2 3.96Å; W245-H260 HydrophobicContact CZ3-CB 3.83Å; W245-H260 VanDerWaalsContact CZ3-N 3.26Å; W245-I285 HydrophobicContact CH2-CD1 4.11Å
246	I	86.1	Confident	79.7	Confident	9 Å²	9	44.6 Å²	44.6	5%	0.046	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.9	-178.2	57.6	175.6	0	0	0	112.1	C241 V248 C258 F259 E261 K279 Y281 T298	C241-I246 VanDerWaalsContact SG-C 3.55Å; I246-V248 HydrophobicContact CG1-CG2 4.44Å; I246-V248 PolarHBondContact O-N 3.4Å; I246-C258 WeakPolarHBondContact O-CA 3.22Å; I246-F259 PolarHBondContact N-O 2.89Å; I246-F259 PolarHBondContact O-N 2.84Å; I246-E261 HydrophobicContact CD1-CB 4.36Å; I246-E261 HydrophobicContact CD1-CG 4.38Å; I246-E261 HydrophobicContact CG1-CB 4.28Å; I246-E261 HydrophobicContact CG2-CB 3.83Å; I246-E261 HydrophobicContact CG2-CG 4.1Å; I246-E261 WeakPolarHBondContact CG2-OE2 3.06Å; I246-K279 HydrophobicContact CD1-CB 3.69Å; I246-K279 HydrophobicContact CG2-CD 3.89Å; I246-Y281 HydrophobicContact CD1-CD1 4.16Å; I246-Y281 HydrophobicContact CD1-CG 4.42Å; I246-T298 HydrophobicContact CD1-CG2 3.51Å; I246-T298 HydrophobicContact CG1-CG2 4.47Å
247	P	86.8	Confident	80.8	Confident	54 Å²	54	41.6 Å²	41.6	35%	0.351	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	125.1	179.1	29.8	-34.5	0	0	0	110.9	I199 C241 F256	I199-P247 HydrophobicContact CD1-CB 3.8Å; I199-P247 HydrophobicContact CG2-CB 4.15Å; C241-P247 VanDerWaalsContact SG-N 3.44Å; P247-F256 HydrophobicContact CB-CB 4.16Å; P247-F256 HydrophobicContact CB-CD1 3.97Å; P247-F256 HydrophobicContact CB-CG 4.38Å
248	V	82.8	Confident	81.1	Confident	16 Å²	16	40.4 Å²	40.4	10%	0.097	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.8	174.8	-174	0	0	0	0	108.9	I246 Q250 E257 F259 Y281 T298	I246-V248 HydrophobicContact CG1-CG2 4.44Å; I246-V248 PolarHBondContact O-N 3.4Å; V248-Q250 PolarHBondContact O-N 2.84Å; V248-E257 PolarHBondContact N-O 3.1Å; V248-E257 PolarHBondContact O-N 3.32Å; V248-F259 HydrophobicContact CB-CD2 3.56Å; V248-F259 HydrophobicContact CB-CE2 3.93Å; V248-F259 HydrophobicContact CG1-CD2 4.4Å; V248-F259 HydrophobicContact CG1-CE2 4.45Å; V248-F259 HydrophobicContact CG2-CB 4.07Å; V248-F259 HydrophobicContact CG2-CD2 3.64Å; V248-F259 HydrophobicContact CG2-CE2 4.46Å; V248-F259 HydrophobicContact CG2-CG 4.16Å; V248-Y281 HydrophobicContact CG1-CE1 4.15Å; V248-Y281 HydrophobicContact CG1-CE2 4.19Å; V248-Y281 WeakPolarHBondContact CG1-OH 3.37Å; V248-Y281 HydrophobicContact CG2-CD1 3.93Å; V248-Y281 HydrophobicContact CG2-CD2 4.16Å; V248-Y281 HydrophobicContact CG2-CE1 3.82Å; V248-Y281 HydrophobicContact CG2-CE2 4.07Å; V248-Y281 HydrophobicContact CG2-CG 4.1Å; V248-T298 HydrophobicContact CG2-CG2 4.35Å
249	Y	81.7	Confident	81.3	Confident	76 Å²	76	39.2 Å²	39.2	30%	0.298	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.9	177.8	-175.4	-103.8	0	0	0	111.4	D254 F256	Y249-D254 PolarHBondContact OH-OD1 2.85Å; Y249-F256 HydrophobicContact CD2-CD2 4.31Å; Y249-F256 HydrophobicContact CD2-CE2 4.24Å; Y249-F256 HydrophobicContact CD2-CZ 4.39Å
250	Q	74.3	Confident	81.4	Confident	5 Å²	5	43 Å²	43	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.2	177.7	-69.2	-67.3	-63	0	0	109.7	V248 N252 L253 D254 Y255 E257 F259	V248-Q250 PolarHBondContact O-N 2.84Å; Q250-N252 PolarHBondContact O-N 3.43Å; Q250-L253 HydrophobicContact CB-CB 3.85Å; Q250-L253 HydrophobicContact CB-CD1 3.94Å; Q250-L253 HydrophobicContact CB-CG 4.29Å; Q250-L253 HydrophobicContact CG-CD1 4.23Å; Q250-L253 CarbonylContact O-C 3.58Å; Q250-L253 PolarHBondContact O-N 2.73Å; Q250-L253 VanDerWaalsContact O-N 3.11Å; Q250-D254 PolarHBondContact O-N 3.47Å; Q250-Y255 PolarHBondContact N-O 3.45Å; Q250-E257 HydrophobicContact CG-CB 3.84Å; Q250-F259 HydrophobicContact CG-CE2 4.24Å
251	K	73.6	Confident	81.4	Confident	98 Å²	98	42.5 Å²	42.5	43%	0.426	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-37.7	-172	-171.5	-172.4	178.6	-168	0	113.9	D90 L253 H703	D90-K251 VanDerWaalsContact CG-N 3.29Å; D90-K251 PolarHBondContact OD1-N 2.83Å; D90-K251 WeakPolarHBondContact OD2-CB 3.4Å; D90-K251 PolarHBondContact OD2-N 2.77Å; K251-L253 VanDerWaalsContact C-N 3.25Å; K251-L253 PolarHBondContact O-N 3.47Å; K251-H703 PolarHBondContact NZ-CE1 2.84Å; K251-H703 VanDerWaalsContact NZ-CE1 3.32Å; K251-H703 PolarHBondContact NZ-NE2 2.03Å
252	N	69.2	Low	81.3	Confident	25 Å²	25	42.5 Å²	42.5	13%	0.134	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.5	176	-73.1	-21.2	0	0	0	112.6	N70 L87 T89 D90 R176 Q250	N70-N252 PolarHBondContact ND2-OD1 2.85Å; N70-N252 PolarHBondContact OD1-OD1 3.03Å; L87-N252 HydrophobicContact CB-CB 4.38Å; T89-N252 PolarHBondContact O-ND2 3.3Å; D90-N252 VanDerWaalsContact OD1-CB 3.3Å; D90-N252 WeakPolarHBondContact OD1-CB 3.34Å; D90-N252 VanDerWaalsContact OD1-CG 3.23Å; D90-N252 PolarHBondContact OD1-N 2.8Å; D90-N252 PolarHBondContact OD1-ND2 3.4Å; R176-N252 PolarHBondContact NH1-O 3.46Å; Q250-N252 PolarHBondContact O-N 3.43Å
253	L	69	Low	81.1	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.037	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-27.9	-178.9	-74.6	174.4	0	0	0	113.9	L88 I102 F122 F124 R176 Q250 K251 Y255	L88-L253 VanDerWaalsContact O-CD1 3.26Å; L88-L253 WeakPolarHBondContact O-CD1 3.43Å; L88-L253 WeakPolarHBondContact O-CD2 3.29Å; L88-L253 WeakPolarHBondContact O-CG 3.47Å; I102-L253 HydrophobicContact CD1-CD2 4.34Å; F122-L253 HydrophobicContact CE1-CD2 4.17Å; F124-L253 HydrophobicContact CZ-CD2 4.37Å; R176-L253 PolarHBondContact NH1-O 3.37Å; Q250-L253 HydrophobicContact CB-CB 3.85Å; Q250-L253 HydrophobicContact CB-CD1 3.94Å; Q250-L253 HydrophobicContact CB-CG 4.29Å; Q250-L253 HydrophobicContact CG-CD1 4.23Å; Q250-L253 CarbonylContact O-C 3.58Å; Q250-L253 PolarHBondContact O-N 2.73Å; Q250-L253 VanDerWaalsContact O-N 3.11Å; K251-L253 VanDerWaalsContact C-N 3.25Å; K251-L253 PolarHBondContact O-N 3.47Å; L253-Y255 HydrophobicContact CB-CD1 3.69Å; L253-Y255 HydrophobicContact CB-CE1 3.55Å; L253-Y255 HydrophobicContact CD1-CE1 3.79Å; L253-Y255 HydrophobicContact CD2-CE1 4.07Å; L253-Y255 HydrophobicContact CG-CE1 4.01Å
254	D	73.1	Confident	81	Confident	74 Å²	74	39.9 Å²	39.9	40%	0.396	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	28.5	-179.7	-159.8	34.2	0	0	0	113.8	K177 Y249 Q250	K177-D254 IonicContact NZ-OD2 2.68Å; K177-D254 PolarHBondContact NZ-OD2 2.78Å; Y249-D254 PolarHBondContact OH-OD1 2.85Å; Q250-D254 PolarHBondContact O-N 3.47Å
255	Y	75.3	Confident	80.4	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	172.8	176.5	78.2	-95	0	0	0	112.5	F124 F127 D198 I211 Q250 L253 E257	F124-Y255 HydrophobicContact CE1-CD1 4.41Å; F124-Y255 HydrophobicContact CE1-CE1 4.27Å; F127-Y255 AromaticContact CE1-CE1 3.92Å; F127-Y255 HydrophobicContact CE1-CE1 3.92Å; F127-Y255 AromaticContact CE1-CZ 3.68Å; F127-Y255 WeakPolarHBondContact CE1-OH 3.47Å; F127-Y255 HydrophobicContact CZ-CE1 4.43Å; D198-Y255 WeakPolarHBondContact OD2-CA 3.25Å; I211-Y255 HydrophobicContact CB-CD2 3.86Å; I211-Y255 HydrophobicContact CB-CE2 4.22Å; I211-Y255 HydrophobicContact CB-CG 4.21Å; I211-Y255 HydrophobicContact CG2-CD1 3.64Å; I211-Y255 HydrophobicContact CG2-CD2 3.46Å; I211-Y255 VanDerWaalsContact CG2-CD2 3.46Å; I211-Y255 HydrophobicContact CG2-CE1 3.71Å; I211-Y255 HydrophobicContact CG2-CE2 3.61Å; I211-Y255 HydrophobicContact CG2-CG 3.55Å; Q250-Y255 PolarHBondContact N-O 3.45Å; L253-Y255 HydrophobicContact CB-CD1 3.69Å; L253-Y255 HydrophobicContact CB-CE1 3.55Å; L253-Y255 HydrophobicContact CD1-CE1 3.79Å; L253-Y255 HydrophobicContact CD2-CE1 4.07Å; L253-Y255 HydrophobicContact CG-CE1 4.01Å; Y255-E257 HydrophobicContact CE2-CB 3.99Å; Y255-E257 WeakPolarHBondContact CE2-OE2 3.41Å; Y255-E257 PolarHBondContact OH-OE2 3.46Å
256	F	83.1	Confident	79.7	Confident	33 Å²	33	43 Å²	43	15%	0.145	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.3	174.5	-70.5	-93.2	0	0	0	112.8	D198 I199 P247 Y249 L301 K355	D198-F256 PolarHBondContact OD1-N 3.24Å; I199-F256 HydrophobicContact CB-CB 4.05Å; I199-F256 HydrophobicContact CD1-CB 3.82Å; I199-F256 VanDerWaalsContact CD1-O 3.3Å; I199-F256 WeakPolarHBondContact CD1-O 3.42Å; I199-F256 HydrophobicContact CG1-CB 4.03Å; P247-F256 HydrophobicContact CB-CB 4.16Å; P247-F256 HydrophobicContact CB-CD1 3.97Å; P247-F256 HydrophobicContact CB-CG 4.38Å; Y249-F256 HydrophobicContact CD2-CD2 4.31Å; Y249-F256 HydrophobicContact CD2-CE2 4.24Å; Y249-F256 HydrophobicContact CD2-CZ 4.39Å; F256-L301 HydrophobicContact CE1-CD1 4.32Å; F256-K355 HydrophobicContact CE2-CG 4.35Å
257	E	84.2	Confident	79.1	Confident	16 Å²	16	44.1 Å²	44.1	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144.4	173.2	-175.2	55.7	-102	0	0	110.5	S212 V248 Q250 Y255 F259	S212-E257 VanDerWaalsContact CB-OE1 3.27Å; S212-E257 WeakPolarHBondContact CB-OE1 3.45Å; S212-E257 PolarHBondContact OG-OE1 2.75Å; V248-E257 PolarHBondContact N-O 3.1Å; V248-E257 PolarHBondContact O-N 3.32Å; Q250-E257 HydrophobicContact CG-CB 3.84Å; Y255-E257 HydrophobicContact CE2-CB 3.99Å; Y255-E257 WeakPolarHBondContact CE2-OE2 3.41Å; Y255-E257 PolarHBondContact OH-OE2 3.46Å; E257-F259 HydrophobicContact CB-CD2 4.48Å; E257-F259 HydrophobicContact CB-CE2 3.86Å; E257-F259 HydrophobicContact CG-CE2 3.97Å; E257-F259 HydrophobicContact CG-CZ 4.43Å; E257-F259 WeakPolarHBondContact O-CD2 3.45Å
258	C	86.2	Confident	78.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.4	-179.6	-66.9	0	0	0	0	110.7	I199 S212 K214 C241 W245 I246	I199-C258 WeakPolarHBondContact CD1-SG 3.44Å; S212-C258 PolarHBondContact OG-N 2.04Å; S212-C258 PolarHBondContact OG-SG 3.24Å; K214-C258 HydrophobicContact CB-CB 3.86Å; C241-C258 WeakPolarHBondContact CA-SG 3.35Å; C241-C258 HydrophobicContact CB-CB 3.99Å; C241-C258 WeakPolarHBondContact CB-SG 3.11Å; C241-C258 WeakPolarHBondContact SG-CB 3.31Å; C241-C258 CovalentContact SG-SG 2.04Å; C241-C258 PolarHBondContact SG-SG 2.98Å; W245-C258 HydrophobicContact CB-CB 4.1Å; W245-C258 HydrophobicContact CE3-CB 4.46Å; W245-C258 VanDerWaalsContact CE3-O 3.31Å; I246-C258 WeakPolarHBondContact O-CA 3.22Å
259	F	85.6	Confident	77.7	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.2	174.8	-71.6	-97.2	0	0	0	111.3	L91 Y101 W245 I246 V248 Q250 E257 E261 Y281 F283	L91-F259 HydrophobicContact CD1-CE1 4.05Å; L91-F259 HydrophobicContact CD1-CZ 4.25Å; L91-F259 HydrophobicContact CD2-CE1 4.29Å; L91-F259 HydrophobicContact CD2-CZ 4.31Å; Y101-F259 HydrophobicContact CE1-CD1 4.07Å; Y101-F259 AromaticContact CE1-CE1 3.64Å; Y101-F259 HydrophobicContact CE1-CE1 3.64Å; Y101-F259 HydrophobicContact CE1-CZ 4.22Å; Y101-F259 HydrophobicContact CE2-CE1 4.44Å; Y101-F259 AromaticContact CZ-CE1 3.59Å; Y101-F259 WeakPolarHBondContact OH-CE1 3.3Å; W245-F259 CarbonylContact C-O 3.48Å; W245-F259 VanDerWaalsContact CA-O 3.26Å; W245-F259 WeakPolarHBondContact CA-O 2.93Å; I246-F259 PolarHBondContact N-O 2.89Å; I246-F259 PolarHBondContact O-N 2.84Å; V248-F259 HydrophobicContact CB-CD2 3.56Å; V248-F259 HydrophobicContact CB-CE2 3.93Å; V248-F259 HydrophobicContact CG1-CD2 4.4Å; V248-F259 HydrophobicContact CG1-CE2 4.45Å; V248-F259 HydrophobicContact CG2-CB 4.07Å; V248-F259 HydrophobicContact CG2-CD2 3.64Å; V248-F259 HydrophobicContact CG2-CE2 4.46Å; V248-F259 HydrophobicContact CG2-CG 4.16Å; Q250-F259 HydrophobicContact CG-CE2 4.24Å; E257-F259 HydrophobicContact CB-CD2 4.48Å; E257-F259 HydrophobicContact CB-CE2 3.86Å; E257-F259 HydrophobicContact CG-CE2 3.97Å; E257-F259 HydrophobicContact CG-CZ 4.43Å; E257-F259 WeakPolarHBondContact O-CD2 3.45Å; F259-E261 PolarHBondContact O-N 2.9Å; F259-Y281 HydrophobicContact CB-CD2 3.6Å; F259-Y281 HydrophobicContact CB-CE2 4.43Å; F259-Y281 HydrophobicContact CB-CG 4.01Å; F259-Y281 AromaticContact CD1-CD2 3.98Å; F259-Y281 HydrophobicContact CD1-CD2 3.98Å; F259-Y281 HydrophobicContact CD1-CE2 4.28Å; F259-Y281 AromaticContact CG-CD2 3.79Å; F259-Y281 HydrophobicContact CG-CD2 3.79Å; F259-Y281 HydrophobicContact CG-CE2 4.18Å; F259-F283 HydrophobicContact CD1-CB 3.96Å; F259-F283 HydrophobicContact CE1-CB 3.84Å
260	H	85.8	Confident	77.4	Confident	79 Å²	79	48.7 Å²	48.7	37%	0.366	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	120.1	-176.7	-171.6	-67	0	0	0	108.6	W245 Y281 Q282	W245-H260 HydrophobicContact CD2-CB 4.44Å; W245-H260 HydrophobicContact CE3-CB 4.15Å; W245-H260 HydrophobicContact CH2-CB 3.88Å; W245-H260 HydrophobicContact CZ2-CB 4.25Å; W245-H260 AromaticContact CZ2-CD2 3.96Å; W245-H260 HydrophobicContact CZ3-CB 3.83Å; W245-H260 VanDerWaalsContact CZ3-N 3.26Å; H260-Y281 WeakPolarHBondContact O-CA 3.47Å; H260-Y281 WeakPolarHBondContact O-CB 3.49Å; H260-Q282 PolarHBondContact O-N 3.44Å; H260-Q282 VanDerWaalsContact O-N 3.11Å
261	E	86.8	Confident	77.3	Confident	34 Å²	34	52.1 Å²	52.1	16%	0.159	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.8	175.3	-176	163.9	-166.4	0	0	109	G244 I246 F259 T263 K279 C280	G244-E261 PolarHBondContact O-N 3.45Å; I246-E261 HydrophobicContact CD1-CB 4.36Å; I246-E261 HydrophobicContact CD1-CG 4.38Å; I246-E261 HydrophobicContact CG1-CB 4.28Å; I246-E261 HydrophobicContact CG2-CB 3.83Å; I246-E261 HydrophobicContact CG2-CG 4.1Å; I246-E261 WeakPolarHBondContact CG2-OE2 3.06Å; F259-E261 PolarHBondContact O-N 2.9Å; E261-T263 HydrophobicContact CG-CG2 4.23Å; E261-K279 WeakPolarHBondContact OE1-CD 3.43Å; E261-K279 WeakPolarHBondContact OE1-CE 3.31Å; E261-K279 VanDerWaalsContact OE1-CG 3.23Å; E261-K279 WeakPolarHBondContact OE1-CG 3.39Å; E261-K279 IonicContact OE1-NZ 3.18Å; E261-K279 PolarHBondContact OE1-NZ 3.48Å; E261-K279 IonicContact OE2-NZ 3.71Å; E261-K279 PolarHBondContact OE2-NZ 3.12Å; E261-C280 WeakPolarHBondContact CA-O 3.44Å
262	I	85.5	Confident	77.1	Confident	16 Å²	16	53 Å²	53	8%	0.082	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.8	173.4	-61.5	-61.8	0	0	0	106.4	I267 Y274 C280 Q282 Y295	I262-I267 HydrophobicContact CG2-CD1 3.64Å; I262-Y274 PolarHBondContact O-OH 3.46Å; I262-C280 HydrophobicContact CB-CB 4.23Å; I262-C280 PolarHBondContact N-O 2.97Å; I262-Q282 HydrophobicContact CD1-CB 4.05Å; I262-Q282 HydrophobicContact CG1-CB 4.11Å; I262-Y295 HydrophobicContact CD1-CE1 4.15Å; I262-Y295 HydrophobicContact CG1-CD1 3.94Å; I262-Y295 HydrophobicContact CG1-CE1 3.95Å; I262-Y295 HydrophobicContact CG2-CE1 4.49Å
263	T	81.5	Confident	77.5	Confident	114 Å²	114	52 Å²	52	70%	0.699	28%	0.283	S	S	*	.			trans	-109.3	-5.4	179.9	52.1	0	0	0	0	112.8	E261 P265	E261-T263 HydrophobicContact CG-CG2 4.23Å; T263-P265 VanDerWaalsContact O-CD 3.28Å; T263-P265 WeakPolarHBondContact O-CD 3.41Å
264	D	78.9	Confident	77.8	Confident	73 Å²	73	54.5 Å²	54.5	39%	0.39	29%	0.292	S	S	.	.			trans	-77.8	111.3	-179.4	-177.8	-7.5	0	0	0	111.5	S266 I267	D264-S266 PolarHBondContact O-N 2.79Å; D264-S266 WeakPolarHBondContact OD1-CB 3.37Å; D264-S266 PolarHBondContact OD1-N 3.12Å; D264-S266 PolarHBondContact OD1-OG 2.85Å; D264-S266 PolarHBondContact OD2-OG 2.95Å; D264-S266 VanDerWaalsContact OD2-OG 3.06Å; D264-I267 HydrophobicContact CB-CD1 4.09Å; D264-I267 HydrophobicContact CB-CG1 4.35Å; D264-I267 PolarHBondContact O-N 3.18Å
265	P	70.7	Confident	77.7	Confident	91 Å²	91	58.1 Å²	58.1	59%	0.591	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.3	-178.7	33	-36.7	0	0	0	113.8	T263 I267 Q271	T263-P265 VanDerWaalsContact O-CD 3.28Å; T263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-I267 PolarHBondContact O-N 2.91Å; P265-Q271 PolarHBondContact O-NE2 3.28Å
266	S	73.8	Confident	77.2	Confident	78 Å²	78	61.4 Å²	61.4	55%	0.545	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.2	177.7	76	0	0	0	0	113	D264 I268	D264-S266 PolarHBondContact O-N 2.79Å; D264-S266 WeakPolarHBondContact OD1-CB 3.37Å; D264-S266 PolarHBondContact OD1-N 3.12Å; D264-S266 PolarHBondContact OD1-OG 2.85Å; D264-S266 PolarHBondContact OD2-OG 2.95Å; D264-S266 VanDerWaalsContact OD2-OG 3.06Å; S266-I268 PolarHBondContact O-N 3.16Å
267	I	73.3	Confident	76.6	Confident	31 Å²	31	66.2 Å²	66.2	16%	0.159	36%	0.358	C	S	.	.			trans	-77.3	105.4	-177.2	-62.1	176.9	0	0	0	109.8	I262 D264 P265 D269 C270 Q271 Y295	I262-I267 HydrophobicContact CG2-CD1 3.64Å; D264-I267 HydrophobicContact CB-CD1 4.09Å; D264-I267 HydrophobicContact CB-CG1 4.35Å; D264-I267 PolarHBondContact O-N 3.18Å; P265-I267 PolarHBondContact O-N 2.91Å; I267-D269 VanDerWaalsContact C-N 3.29Å; I267-D269 PolarHBondContact O-N 2.73Å; I267-C270 HydrophobicContact CB-CB 4.36Å; I267-C270 HydrophobicContact CG2-CB 4.33Å; I267-C270 WeakPolarHBondContact O-CA 3.24Å; I267-C270 WeakPolarHBondContact O-CB 3.19Å; I267-C270 PolarHBondContact O-N 3.22Å; I267-Q271 PolarHBondContact O-N 3.28Å; I267-Y295 HydrophobicContact CD1-CE1 4Å; I267-Y295 HydrophobicContact CG2-CD1 4.3Å; I267-Y295 HydrophobicContact CG2-CD2 3.63Å; I267-Y295 HydrophobicContact CG2-CE1 4.21Å; I267-Y295 HydrophobicContact CG2-CE2 3.51Å; I267-Y295 HydrophobicContact CG2-CG 4.03Å
268	I	71.1	Confident	76.3	Confident	130 Å²	130	67 Å²	67	67%	0.667	36%	0.362	S	S	*	.	H	α-helix	trans	-50.3	-44.7	-175.1	-60.9	171.1	0	0	0	112.5	S266 C270 Q271	S266-I268 PolarHBondContact O-N 3.16Å; I268-C270 PolarHBondContact O-N 3.27Å; I268-Q271 PolarHBondContact O-N 3.46Å; I268-Q271 VanDerWaalsContact O-N 3.13Å
269	D	68.2	Low	76.1	Confident	112 Å²	112	71.7 Å²	71.7	60%	0.599	38%	0.383	S	S	*	.	H	α-helix	trans	-61.8	-23.9	179.2	-74.4	-13.7	0	0	0	113.3	I267 Y295	I267-D269 VanDerWaalsContact C-N 3.29Å; I267-D269 PolarHBondContact O-N 2.73Å; D269-Y295 HydrophobicContact CB-CD2 3.97Å; D269-Y295 HydrophobicContact CB-CG 4.37Å
270	C	75.4	Confident	76.1	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-91.9	-16.5	177.7	-65.9	0	0	0	0	113.7	I267 I268 N272 C273 Y274 C280	I267-C270 HydrophobicContact CB-CB 4.36Å; I267-C270 HydrophobicContact CG2-CB 4.33Å; I267-C270 WeakPolarHBondContact O-CA 3.24Å; I267-C270 WeakPolarHBondContact O-CB 3.19Å; I267-C270 PolarHBondContact O-N 3.22Å; I268-C270 PolarHBondContact O-N 3.27Å; C270-N272 PolarHBondContact O-N 3.14Å; C270-C273 WeakPolarHBondContact O-CA 3.49Å; C270-C273 WeakPolarHBondContact O-CB 3.44Å; C270-C273 PolarHBondContact O-N 3.02Å; C270-Y274 HydrophobicContact CB-CD2 4.1Å; C270-Y274 HydrophobicContact CB-CE2 3.38Å; C270-Y274 WeakPolarHBondContact O-CD2 3.35Å; C270-Y274 PolarHBondContact O-N 2.87Å; C270-C280 VanDerWaalsContact CA-SG 3.54Å; C270-C280 HydrophobicContact CB-CB 3.57Å; C270-C280 WeakPolarHBondContact CB-SG 3.26Å; C270-C280 WeakPolarHBondContact SG-CB 3.31Å; C270-C280 CovalentContact SG-SG 2.04Å; C270-C280 PolarHBondContact SG-SG 2.76Å
271	Q	72.8	Confident	76	Confident	78 Å²	78	68.5 Å²	68.5	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-46.5	-174	-71	178.8	-13.7	0	0	112.6	P265 I267 I268 C273 Y274 Q275	P265-Q271 PolarHBondContact O-NE2 3.28Å; I267-Q271 PolarHBondContact O-N 3.28Å; I268-Q271 PolarHBondContact O-N 3.46Å; I268-Q271 VanDerWaalsContact O-N 3.13Å; Q271-C273 PolarHBondContact O-N 3.24Å; Q271-Y274 PolarHBondContact O-N 3.33Å; Q271-Q275 VanDerWaalsContact O-CG 3.31Å; Q271-Q275 WeakPolarHBondContact O-CG 3.05Å; Q271-Q275 PolarHBondContact O-N 2.99Å
272	N	69.9	Low	75.7	Confident	116 Å²	116	68.3 Å²	68.3	62%	0.62	37%	0.367	S	S	*	.	H	α-helix	trans	-64.2	-25.5	175.7	-64.3	-11.5	0	0	0	112.5	C270 S276	C270-N272 PolarHBondContact O-N 3.14Å; N272-S276 PolarHBondContact O-OG 3.42Å
273	C	77.2	Confident	74.9	Confident	4 Å²	4	67.9 Å²	67.9	3%	0.027	36%	0.364	C	S	.	.	H	α-helix	trans	-71.6	-51.3	176	-170.2	0	0	0	0	111.1	C270 Q271 Q275 S276 N278 K279 C280 C297	C270-C273 WeakPolarHBondContact O-CA 3.49Å; C270-C273 WeakPolarHBondContact O-CB 3.44Å; C270-C273 PolarHBondContact O-N 3.02Å; Q271-C273 PolarHBondContact O-N 3.24Å; C273-Q275 VanDerWaalsContact C-N 3.33Å; C273-Q275 PolarHBondContact O-N 3.1Å; C273-S276 WeakPolarHBondContact O-CA 3.31Å; C273-S276 WeakPolarHBondContact O-CB 3.35Å; C273-S276 PolarHBondContact O-N 2.84Å; C273-N278 WeakPolarHBondContact O-CB 3.34Å; C273-N278 PolarHBondContact O-N 2.85Å; C273-N278 WeakPolarHBondContact SG-CB 3.45Å; C273-K279 VanDerWaalsContact SG-C 3.56Å; C273-K279 PolarHBondContact SG-O 2.03Å; C273-K279 VanDerWaalsContact SG-O 3.41Å; C273-C280 HydrophobicContact CB-CB 4.47Å; C273-C297 WeakPolarHBondContact CA-SG 3.37Å; C273-C297 HydrophobicContact CB-CB 3.67Å; C273-C297 WeakPolarHBondContact CB-SG 3.49Å; C273-C297 WeakPolarHBondContact SG-CA 3.33Å; C273-C297 WeakPolarHBondContact SG-CB 3.35Å; C273-C297 CovalentContact SG-SG 2.03Å; C273-C297 PolarHBondContact SG-SG 2.03Å
274	Y	76.1	Confident	73.9	Confident	59 Å²	59	62.8 Å²	62.8	23%	0.231	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-39	178	-55.5	-51.2	0	0	0	112.1	I262 C270 Q271 S276 N277 C280	I262-Y274 PolarHBondContact O-OH 3.46Å; C270-Y274 HydrophobicContact CB-CD2 4.1Å; C270-Y274 HydrophobicContact CB-CE2 3.38Å; C270-Y274 WeakPolarHBondContact O-CD2 3.35Å; C270-Y274 PolarHBondContact O-N 2.87Å; Q271-Y274 PolarHBondContact O-N 3.33Å; Y274-S276 PolarHBondContact O-N 2.87Å; Y274-S276 VanDerWaalsContact O-N 3.09Å; Y274-N277 PolarHBondContact O-N 2.9Å; Y274-C280 HydrophobicContact CE1-CB 3.87Å
275	Q	69.6	Low	72.8	Confident	151 Å²	151	63.7 Å²	63.7	71%	0.706	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.8	172.9	-74.2	173.8	8.7	0	0	113.8	Q271 C273	Q271-Q275 VanDerWaalsContact O-CG 3.31Å; Q271-Q275 WeakPolarHBondContact O-CG 3.05Å; Q271-Q275 PolarHBondContact O-N 2.99Å; C273-Q275 VanDerWaalsContact C-N 3.33Å; C273-Q275 PolarHBondContact O-N 3.1Å
276	S	66.2	Low	71.7	Confident	72 Å²	72	60.5 Å²	60.5	50%	0.503	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	11.3	179.2	-54.8	0	0	0	0	113.2	N272 C273 Y274 N278	N272-S276 PolarHBondContact O-OG 3.42Å; C273-S276 WeakPolarHBondContact O-CA 3.31Å; C273-S276 WeakPolarHBondContact O-CB 3.35Å; C273-S276 PolarHBondContact O-N 2.84Å; Y274-S276 PolarHBondContact O-N 2.87Å; Y274-S276 VanDerWaalsContact O-N 3.09Å; S276-N278 VanDerWaalsContact CB-ND2 3.3Å; S276-N278 WeakPolarHBondContact CB-ND2 3.01Å; S276-N278 PolarHBondContact O-N 3.46Å
277	N	69.5	Low	70.1	Confident	135 Å²	135	58 Å²	58	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	42.1	-169.6	-69.6	3.1	0	0	0	112.8	Y274 S300	Y274-N277 PolarHBondContact O-N 2.9Å; N277-S300 PolarHBondContact O-OG 2.94Å
278	N	77.3	Confident	68.6	Low	32 Å²	32	63.3 Å²	63.3	17%	0.171	33%	0.33	C	S	.	.			trans	-115.3	159.8	177.1	-67.9	-34.3	0	0	0	110.8	C273 S276 C297 T298 S300	C273-N278 WeakPolarHBondContact O-CB 3.34Å; C273-N278 PolarHBondContact O-N 2.85Å; C273-N278 WeakPolarHBondContact SG-CB 3.45Å; S276-N278 VanDerWaalsContact CB-ND2 3.3Å; S276-N278 WeakPolarHBondContact CB-ND2 3.01Å; S276-N278 PolarHBondContact O-N 3.46Å; N278-C297 WeakPolarHBondContact CB-SG 3.26Å; N278-T298 VanDerWaalsContact CB-O 3.25Å; N278-T298 WeakPolarHBondContact CB-O 3.32Å; N278-T298 PolarHBondContact ND2-O 2.9Å; N278-S300 WeakPolarHBondContact OD1-CA 3.32Å; N278-S300 WeakPolarHBondContact OD1-CB 3.42Å; N278-S300 PolarHBondContact OD1-N 3.4Å; N278-S300 PolarHBondContact OD1-OG 3.11Å
279	K	82.8	Confident	67	Low	98 Å²	98	63 Å²	63	43%	0.426	33%	0.33	S	S	.	.			trans	-93.9	132.9	178.5	-66.4	174	157.8	-86.7	0	110.3	I246 E261 C273 T298	I246-K279 HydrophobicContact CD1-CB 3.69Å; I246-K279 HydrophobicContact CG2-CD 3.89Å; E261-K279 WeakPolarHBondContact OE1-CD 3.43Å; E261-K279 WeakPolarHBondContact OE1-CE 3.31Å; E261-K279 VanDerWaalsContact OE1-CG 3.23Å; E261-K279 WeakPolarHBondContact OE1-CG 3.39Å; E261-K279 IonicContact OE1-NZ 3.18Å; E261-K279 PolarHBondContact OE1-NZ 3.48Å; E261-K279 IonicContact OE2-NZ 3.71Å; E261-K279 PolarHBondContact OE2-NZ 3.12Å; C273-K279 VanDerWaalsContact SG-C 3.56Å; C273-K279 PolarHBondContact SG-O 2.03Å; C273-K279 VanDerWaalsContact SG-O 3.41Å; K279-T298 HydrophobicContact CB-CG2 4.32Å; K279-T298 PolarHBondContact N-OG1 3.15Å; K279-T298 VanDerWaalsContact N-OG1 3.09Å; K279-T298 PolarHBondContact O-N 2.92Å; K279-T298 PolarHBondContact O-OG1 2.74Å
280	C	84.8	Confident	65.7	Low	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147.9	175.3	-157.4	0	0	0	0	110.8	E261 I262 C270 C273 Y274 R296	E261-C280 WeakPolarHBondContact CA-O 3.44Å; I262-C280 HydrophobicContact CB-CB 4.23Å; I262-C280 PolarHBondContact N-O 2.97Å; C270-C280 VanDerWaalsContact CA-SG 3.54Å; C270-C280 HydrophobicContact CB-CB 3.57Å; C270-C280 WeakPolarHBondContact CB-SG 3.26Å; C270-C280 WeakPolarHBondContact SG-CB 3.31Å; C270-C280 CovalentContact SG-SG 2.04Å; C270-C280 PolarHBondContact SG-SG 2.76Å; C273-C280 HydrophobicContact CB-CB 4.47Å; Y274-C280 HydrophobicContact CE1-CB 3.87Å; C280-R296 CarbonylContact C-O 3.56Å; C280-R296 WeakPolarHBondContact CA-O 3.48Å; C280-R296 PolarHBondContact SG-O 3.03Å
281	Y	84.7	Confident	64.1	Low	14 Å²	14	74.1 Å²	74.1	6%	0.055	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.6	175.1	63	-85.6	0	0	0	113.3	I246 V248 F259 H260 F283 Y295 R296 T298	I246-Y281 HydrophobicContact CD1-CD1 4.16Å; I246-Y281 HydrophobicContact CD1-CG 4.42Å; V248-Y281 HydrophobicContact CG1-CE1 4.15Å; V248-Y281 HydrophobicContact CG1-CE2 4.19Å; V248-Y281 WeakPolarHBondContact CG1-OH 3.37Å; V248-Y281 HydrophobicContact CG2-CD1 3.93Å; V248-Y281 HydrophobicContact CG2-CD2 4.16Å; V248-Y281 HydrophobicContact CG2-CE1 3.82Å; V248-Y281 HydrophobicContact CG2-CE2 4.07Å; V248-Y281 HydrophobicContact CG2-CG 4.1Å; F259-Y281 HydrophobicContact CB-CD2 3.6Å; F259-Y281 HydrophobicContact CB-CE2 4.43Å; F259-Y281 HydrophobicContact CB-CG 4.01Å; F259-Y281 AromaticContact CD1-CD2 3.98Å; F259-Y281 HydrophobicContact CD1-CD2 3.98Å; F259-Y281 HydrophobicContact CD1-CE2 4.28Å; F259-Y281 AromaticContact CG-CD2 3.79Å; F259-Y281 HydrophobicContact CG-CD2 3.79Å; F259-Y281 HydrophobicContact CG-CE2 4.18Å; H260-Y281 WeakPolarHBondContact O-CA 3.47Å; H260-Y281 WeakPolarHBondContact O-CB 3.49Å; Y281-F283 HydrophobicContact CD2-CB 4.19Å; Y281-F283 HydrophobicContact CE2-CB 4.02Å; Y281-Y295 WeakPolarHBondContact O-CA 3.43Å; Y281-R296 HydrophobicContact CD1-CB 4.37Å; Y281-R296 WeakPolarHBondContact CD1-O 3.48Å; Y281-R296 HydrophobicContact CD2-CB 4.33Å; Y281-R296 HydrophobicContact CE1-CB 3.74Å; Y281-R296 HydrophobicContact CE2-CB 3.69Å; Y281-R296 PolarHBondContact N-O 3.37Å; Y281-R296 PolarHBondContact O-N 3.28Å; Y281-R296 WeakPolarHBondContact OH-CB 3.43Å; Y281-R296 WeakPolarHBondContact OH-CD 3.35Å; Y281-T298 HydrophobicContact CD1-CG2 3.84Å; Y281-T298 HydrophobicContact CE1-CG2 3.96Å
282	Q	79.8	Confident	62.9	Low	31 Å²	31	76.8 Å²	76.8	15%	0.145	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.5	172.6	-179.9	177.6	-1.5	0	0	110.6	H260 I262 N284 N293 Y295	H260-Q282 PolarHBondContact O-N 3.44Å; H260-Q282 VanDerWaalsContact O-N 3.11Å; I262-Q282 HydrophobicContact CD1-CB 4.05Å; I262-Q282 HydrophobicContact CG1-CB 4.11Å; Q282-N284 PolarHBondContact NE2-O 2.91Å; Q282-N293 PolarHBondContact NE2-OD1 3.03Å; Q282-Y295 HydrophobicContact CB-CD1 4.34Å; Q282-Y295 HydrophobicContact CB-CE1 4.32Å
283	F	70.2	Confident	62.2	Low	7 Å²	7	74 Å²	74	3%	0.031	38%	0.377	C	S	.	.			trans	-119.3	0.1	-174.1	70.8	-97.5	0	0	0	116.5	L91 Y101 F259 Y281 Q294 R296	L91-F283 WeakPolarHBondContact CD1-O 3.2Å; L91-F283 HydrophobicContact CD2-CB 3.95Å; L91-F283 HydrophobicContact CD2-CD2 3.77Å; L91-F283 HydrophobicContact CD2-CG 4.17Å; Y101-F283 WeakPolarHBondContact CE2-O 3.31Å; Y101-F283 VanDerWaalsContact OH-C 3.31Å; Y101-F283 PolarHBondContact OH-O 3.35Å; Y101-F283 VanDerWaalsContact OH-O 3.14Å; F259-F283 HydrophobicContact CD1-CB 3.96Å; F259-F283 HydrophobicContact CE1-CB 3.84Å; Y281-F283 HydrophobicContact CD2-CB 4.19Å; Y281-F283 HydrophobicContact CE2-CB 4.02Å; F283-Q294 HydrophobicContact CD1-CB 4.17Å; F283-Q294 WeakPolarHBondContact CD1-O 3.3Å; F283-Q294 HydrophobicContact CD2-CB 4.4Å; F283-Q294 VanDerWaalsContact CE1-C 3.42Å; F283-Q294 HydrophobicContact CE1-CB 3.39Å; F283-Q294 VanDerWaalsContact CE1-O 3.31Å; F283-Q294 WeakPolarHBondContact CE1-O 3.26Å; F283-Q294 HydrophobicContact CE2-CB 3.71Å; F283-Q294 HydrophobicContact CZ-CB 3.17Å; F283-Q294 HydrophobicContact CZ-CG 4.16Å; F283-Q294 PolarHBondContact N-O 2.98Å; F283-R296 HydrophobicContact CD1-CB 3.86Å; F283-R296 HydrophobicContact CD1-CG 3.69Å; F283-R296 HydrophobicContact CE1-CB 4.07Å; F283-R296 HydrophobicContact CE1-CG 3.46Å; F283-R296 VanDerWaalsContact CE1-CG 3.46Å; F283-R296 HydrophobicContact CZ-CG 4.32Å
284	N	60.5	Low	61.7	Low	6 Å²	6	77.6 Å²	77.6	3%	0.032	39%	0.393	C	S	.	.			trans	-132.4	115.6	168.6	-88.2	-16.8	0	0	0	109	Q282	Q282-N284 PolarHBondContact NE2-O 2.91Å
285	I	54.8	Low	61.5	Low	93 Å²	93	77 Å²	77	48%	0.477	39%	0.391	S	S	.	.	S	Bend	trans	-104.2	-22.6	179.3	-57.7	173	0	0	0	110.5	W245	W245-I285 HydrophobicContact CH2-CD1 4.11Å
286	G	46.8	Very low	61.7	Low	23 Å²	23	73.9 Å²	73.9	24%	0.237	37%	0.372	C	S	.	.			trans	-92.3	-4.8	-171.7	0	0	0	0	0	117.6	I288	G286-I288 PolarHBondContact O-N 2.91Å; G286-I288 VanDerWaalsContact O-N 3.14Å
287	S	41.6	Very low	62	Low	27 Å²	27	72.9 Å²	72.9	19%	0.189	37%	0.365	C	S	.	.			trans	-73.7	108.8	-177.3	58	0	0	0	0	111.3	N289	S287-N289 CarbonylContact O-C 3.43Å; S287-N289 PolarHBondContact O-N 2.98Å
288	I	41.8	Very low	62.1	Low	142 Å²	142	67.6 Å²	67.6	73%	0.728	34%	0.337	S	S	*	.	S	Bend	trans	-52.2	-25	-178.7	-67	169.1	0	0	0	113	G286 K290	G286-I288 PolarHBondContact O-N 2.91Å; G286-I288 VanDerWaalsContact O-N 3.14Å; I288-K290 PolarHBondContact O-N 3.43Å
289	N	37.6	Very low	61	Low	123 Å²	123	69.2 Å²	69.2	66%	0.658	35%	0.351	S	S	*	.			trans	-84	97.2	169.7	-67.9	-24.8	0	0	0	111.6	S287 L291 H292	S287-N289 CarbonylContact O-C 3.43Å; S287-N289 PolarHBondContact O-N 2.98Å; N289-L291 PolarHBondContact O-N 3.5Å; N289-H292 PolarHBondContact O-N 2.94Å
290	K	41.1	Very low	59.2	Low	191 Å²	191	67.1 Å²	67.1	83%	0.83	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-7.6	173.3	-72.1	-174.5	174.2	-176.2	0	116.2	I288	I288-K290 PolarHBondContact O-N 3.43Å
291	L	40.6	Very low	57.2	Low	155 Å²	155	70.1 Å²	70.1	81%	0.812	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.8	-176.8	-87.8	101.2	0	0	0	115.3	N289	N289-L291 PolarHBondContact O-N 3.5Å
292	H	48.5	Very low	54.8	Low	134 Å²	134	77.1 Å²	77.1	62%	0.62	40%	0.395	S	S	*	.			trans	-133.9	59.3	178.9	-69.8	-41.7	0	0	0	112.5	N289 Q294	N289-H292 PolarHBondContact O-N 2.94Å; H292-Q294 PolarHBondContact O-N 3.33Å
293	N	54	Low	52.6	Low	58 Å²	58	81.5 Å²	81.5	31%	0.31	41%	0.414	S	S	.	.			trans	-54.3	114.6	151.7	-72.9	-2.6	0	0	0	107	Q282 Y295	Q282-N293 PolarHBondContact NE2-OD1 3.03Å; N293-Y295 HydrophobicContact CB-CE1 4.22Å; N293-Y295 HydrophobicContact CB-CE2 3.7Å; N293-Y295 VanDerWaalsContact CB-CZ 3.49Å; N293-Y295 VanDerWaalsContact CB-OH 3.3Å; N293-Y295 WeakPolarHBondContact CB-OH 3.47Å; N293-Y295 PolarHBondContact ND2-OH 3.13Å; N293-Y295 VanDerWaalsContact ND2-OH 3.08Å; N293-Y295 WeakPolarHBondContact O-CD2 3.3Å; N293-Y295 WeakPolarHBondContact O-CE2 3.5Å
294	Q	66.3	Low	50.8	Low	78 Å²	78	88.1 Å²	88.1	36%	0.364	45%	0.445	S	S	.	.			trans	-94.6	124.2	176.3	-57.3	-173.7	17.5	0	0	108.4	F283 H292	F283-Q294 HydrophobicContact CD1-CB 4.17Å; F283-Q294 WeakPolarHBondContact CD1-O 3.3Å; F283-Q294 HydrophobicContact CD2-CB 4.4Å; F283-Q294 VanDerWaalsContact CE1-C 3.42Å; F283-Q294 HydrophobicContact CE1-CB 3.39Å; F283-Q294 VanDerWaalsContact CE1-O 3.31Å; F283-Q294 WeakPolarHBondContact CE1-O 3.26Å; F283-Q294 HydrophobicContact CE2-CB 3.71Å; F283-Q294 HydrophobicContact CZ-CB 3.17Å; F283-Q294 HydrophobicContact CZ-CG 4.16Å; F283-Q294 PolarHBondContact N-O 2.98Å; H292-Q294 PolarHBondContact O-N 3.33Å
295	Y	73	Confident	49.3	Very low	47 Å²	47	93.5 Å²	93.5	18%	0.184	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.5	-179.7	-56.4	-77.7	0	0	0	110.2	I262 I267 D269 Y281 Q282 N293	I262-Y295 HydrophobicContact CD1-CE1 4.15Å; I262-Y295 HydrophobicContact CG1-CD1 3.94Å; I262-Y295 HydrophobicContact CG1-CE1 3.95Å; I262-Y295 HydrophobicContact CG2-CE1 4.49Å; I267-Y295 HydrophobicContact CD1-CE1 4Å; I267-Y295 HydrophobicContact CG2-CD1 4.3Å; I267-Y295 HydrophobicContact CG2-CD2 3.63Å; I267-Y295 HydrophobicContact CG2-CE1 4.21Å; I267-Y295 HydrophobicContact CG2-CE2 3.51Å; I267-Y295 HydrophobicContact CG2-CG 4.03Å; D269-Y295 HydrophobicContact CB-CD2 3.97Å; D269-Y295 HydrophobicContact CB-CG 4.37Å; Y281-Y295 WeakPolarHBondContact O-CA 3.43Å; Q282-Y295 HydrophobicContact CB-CD1 4.34Å; Q282-Y295 HydrophobicContact CB-CE1 4.32Å; N293-Y295 HydrophobicContact CB-CE1 4.22Å; N293-Y295 HydrophobicContact CB-CE2 3.7Å; N293-Y295 VanDerWaalsContact CB-CZ 3.49Å; N293-Y295 VanDerWaalsContact CB-OH 3.3Å; N293-Y295 WeakPolarHBondContact CB-OH 3.47Å; N293-Y295 PolarHBondContact ND2-OH 3.13Å; N293-Y295 VanDerWaalsContact ND2-OH 3.08Å; N293-Y295 WeakPolarHBondContact O-CD2 3.3Å; N293-Y295 WeakPolarHBondContact O-CE2 3.5Å
296	R	74.6	Confident	48.1	Very low	85 Å²	85	95.8 Å²	95.8	32%	0.321	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.1	172.7	-93.2	172.4	-164	-155.3	7.6	110	C280 Y281 F283	C280-R296 CarbonylContact C-O 3.56Å; C280-R296 WeakPolarHBondContact CA-O 3.48Å; C280-R296 PolarHBondContact SG-O 3.03Å; Y281-R296 HydrophobicContact CD1-CB 4.37Å; Y281-R296 WeakPolarHBondContact CD1-O 3.48Å; Y281-R296 HydrophobicContact CD2-CB 4.33Å; Y281-R296 HydrophobicContact CE1-CB 3.74Å; Y281-R296 HydrophobicContact CE2-CB 3.69Å; Y281-R296 PolarHBondContact N-O 3.37Å; Y281-R296 PolarHBondContact O-N 3.28Å; Y281-R296 WeakPolarHBondContact OH-CB 3.43Å; Y281-R296 WeakPolarHBondContact OH-CD 3.35Å; F283-R296 HydrophobicContact CD1-CB 3.86Å; F283-R296 HydrophobicContact CD1-CG 3.69Å; F283-R296 HydrophobicContact CE1-CB 4.07Å; F283-R296 HydrophobicContact CE1-CG 3.46Å; F283-R296 VanDerWaalsContact CE1-CG 3.46Å; F283-R296 HydrophobicContact CZ-CG 4.32Å
297	C	72.5	Confident	47.4	Very low	51 Å²	51	103.3 Å²	103.3	35%	0.345	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.6	177.5	-165	0	0	0	0	109.9	C273 N278	C273-C297 WeakPolarHBondContact CA-SG 3.37Å; C273-C297 HydrophobicContact CB-CB 3.67Å; C273-C297 WeakPolarHBondContact CB-SG 3.49Å; C273-C297 WeakPolarHBondContact SG-CA 3.33Å; C273-C297 WeakPolarHBondContact SG-CB 3.35Å; C273-C297 CovalentContact SG-SG 2.03Å; C273-C297 PolarHBondContact SG-SG 2.03Å; N278-C297 WeakPolarHBondContact CB-SG 3.26Å
298	T	70.9	Confident	46.8	Very low	24 Å²	24	105.2 Å²	105.2	15%	0.147	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-71.1	152.2	162.4	60.9	0	0	0	0	109.5	I246 V248 N278 K279 Y281	I246-T298 HydrophobicContact CD1-CG2 3.51Å; I246-T298 HydrophobicContact CG1-CG2 4.47Å; V248-T298 HydrophobicContact CG2-CG2 4.35Å; N278-T298 VanDerWaalsContact CB-O 3.25Å; N278-T298 WeakPolarHBondContact CB-O 3.32Å; N278-T298 PolarHBondContact ND2-O 2.9Å; K279-T298 HydrophobicContact CB-CG2 4.32Å; K279-T298 PolarHBondContact N-OG1 3.15Å; K279-T298 VanDerWaalsContact N-OG1 3.09Å; K279-T298 PolarHBondContact O-N 2.92Å; K279-T298 PolarHBondContact O-OG1 2.74Å; Y281-T298 HydrophobicContact CD1-CG2 3.84Å; Y281-T298 HydrophobicContact CE1-CG2 3.96Å
299	C	54.1	Low	46.2	Very low	67 Å²	67	102.7 Å²	102.7	45%	0.453	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-79.1	131.7	157.8	-58.9	0	0	0	0	106.9	L301 C358	C299-L301 PolarHBondContact O-N 2.84Å; C299-C358 HydrophobicContact CB-CB 4.21Å
300	S	45.7	Very low	45.9	Very low	54 Å²	54	103.3 Å²	103.3	38%	0.378	54%	0.537	S	S	.	.			trans	-61.9	104.7	173.7	-116	0	0	0	0	110.1	N277 N278 F302	N277-S300 PolarHBondContact O-OG 2.94Å; N278-S300 WeakPolarHBondContact OD1-CA 3.32Å; N278-S300 WeakPolarHBondContact OD1-CB 3.42Å; N278-S300 PolarHBondContact OD1-N 3.4Å; N278-S300 PolarHBondContact OD1-OG 3.11Å; S300-F302 PolarHBondContact O-N 3.19Å; S300-F302 VanDerWaalsContact O-N 3.15Å
301	L	41.1	Very low	45.6	Very low	62 Å²	62	98.1 Å²	98.1	33%	0.325	53%	0.525	S	S	.	.	S	Bend	trans	-68.5	-1.2	170	-76.7	161.6	0	0	0	112.3	F256 C299	F256-L301 HydrophobicContact CE1-CD1 4.32Å; C299-L301 PolarHBondContact O-N 2.84Å
302	F	34.9	Very low	45.2	Very low	161 Å²	161	96.4 Å²	96.4	71%	0.706	52%	0.517	S	S	*	.			trans	-136.9	83.1	-177.6	-56.9	-79.2	0	0	0	111.1	S300 Q304	S300-F302 PolarHBondContact O-N 3.19Å; S300-F302 VanDerWaalsContact O-N 3.15Å; F302-Q304 PolarHBondContact O-N 2.9Å; F302-Q304 VanDerWaalsContact O-N 3.13Å
303	K	33.7	Very low	44.5	Very low	124 Å²	124	96.8 Å²	96.8	54%	0.539	53%	0.528	S	S	.	.			trans	-65.9	108.6	151.5	-86.4	180	-176.4	165.6	0	106.8	N305 E360	K303-N305 PolarHBondContact O-N 3.46Å; K303-E360 IonicContact NZ-OE1 2.65Å; K303-E360 PolarHBondContact NZ-OE1 3.3Å; K303-E360 IonicContact NZ-OE2 2.7Å; K303-E360 PolarHBondContact NZ-OE2 3.39Å
304	Q	32.5	Very low	43.5	Very low	146 Å²	146	99.6 Å²	99.6	68%	0.682	55%	0.548	S	S	*	.			trans	-57.9	104.4	166.7	-73.5	176.2	-18.9	0	0	108.3	F302 N306	F302-Q304 PolarHBondContact O-N 2.9Å; F302-Q304 VanDerWaalsContact O-N 3.13Å; Q304-N306 VanDerWaalsContact C-N 3.31Å; Q304-N306 PolarHBondContact O-N 2.92Å
305	N	29	Very low	41.7	Very low	119 Å²	119	99.4 Å²	99.4	64%	0.636	55%	0.554	S	S	*	*			trans	-74.3	89.2	172	-89.3	-14.2	0	0	0	108.4	K303 Q307 Y317	K303-N305 PolarHBondContact O-N 3.46Å; N305-Q307 PolarHBondContact O-N 2.91Å; N305-Y317 PolarHBondContact O-OH 2.84Å
306	N	28.9	Very low	39.6	Very low	140 Å²	140	104.5 Å²	104.5	75%	0.749	58%	0.584	S	S	*	*			trans	-70.4	43.9	174.4	-70.5	-7	0	0	0	112.7	Q304	Q304-N306 VanDerWaalsContact C-N 3.31Å; Q304-N306 PolarHBondContact O-N 2.92Å
307	Q	32.4	Very low	37.5	Very low	181 Å²	181	106.6 Å²	106.6	85%	0.846	59%	0.593	S	S	*	*			trans	-141.4	40.4	175.7	-73.1	-166.9	-30.1	0	0	111.8	N305 S309	N305-Q307 PolarHBondContact O-N 2.91Å; Q307-S309 VanDerWaalsContact C-N 3.28Å; Q307-S309 PolarHBondContact O-N 2.79Å; Q307-S309 VanDerWaalsContact O-N 3.12Å
308	C	29.6	Very low	35.4	Very low	67 Å²	67	113.5 Å²	113.5	45%	0.453	62%	0.619	S	S	.	*			trans	-75.6	88	153.3	-77.3	0	0	0	0	108.8	Y317	C308-Y317 PolarHBondContact SG-OH 3.18Å
309	S	29.2	Very low	33.5	Very low	89 Å²	89	117.9 Å²	117.9	62%	0.622	64%	0.641	S	S	*	*			trans	-56.7	138.1	168.4	47.3	0	0	0	0	110.4	Q307 S311	Q307-S309 VanDerWaalsContact C-N 3.28Å; Q307-S309 PolarHBondContact O-N 2.79Å; Q307-S309 VanDerWaalsContact O-N 3.12Å; S309-S311 PolarHBondContact O-N 3.42Å
310	S	31.3	Very low	32.3	Very low	136 Å²	136	121.9 Å²	121.9	95%	0.951	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	45.7	-161.4	60.3	0	0	0	0	115.9
311	S	34	Very low	31.6	Very low	83 Å²	83	125.2 Å²	125.2	58%	0.58	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	-29.7	-175.9	51.3	0	0	0	0	116	S309	S309-S311 PolarHBondContact O-N 3.42Å
312	D	33.1	Very low	31.1	Very low	119 Å²	119	128.9 Å²	128.9	64%	0.636	69%	0.69	S	S	*	*			trans	-113.9	113.6	-166.9	-64.6	-67.2	0	0	0	113.4	T314	D312-T314 VanDerWaalsContact C-N 3.27Å; D312-T314 PolarHBondContact O-N 3.41Å
313	T	32.8	Very low	31.1	Very low	141 Å²	141	129 Å²	129	87%	0.865	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	43.7	-165.6	54.9	0	0	0	0	114.5
314	T	34.5	Very low	31.2	Very low	118 Å²	118	128.6 Å²	128.6	72%	0.724	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	0.6	-173.7	50.4	0	0	0	0	115.6	D312 L316	D312-T314 VanDerWaalsContact C-N 3.27Å; D312-T314 PolarHBondContact O-N 3.41Å; T314-L316 PolarHBondContact O-N 2.91Å
315	C	27.5	Very low	31.4	Very low	74 Å²	74	127.3 Å²	127.3	50%	0.5	71%	0.706	S	S	.	*			trans	-90.1	89.3	175.3	-63.1	0	0	0	0	111.2	Y317	C315-Y317 HydrophobicContact CB-CD2 4.14Å; C315-Y317 HydrophobicContact CB-CE2 3.74Å; C315-Y317 PolarHBondContact O-N 3.24Å
316	L	29.3	Very low	32.5	Very low	154 Å²	154	127.5 Å²	127.5	81%	0.806	71%	0.707	S	S	*	*			trans	-73.1	106.2	164.5	-95.5	89	0	0	0	109.4	T314	T314-L316 PolarHBondContact O-N 2.91Å
317	Y	30.4	Very low	33.1	Very low	129 Å²	129	127.9 Å²	127.9	51%	0.506	70%	0.702	S	S	.	*	P	Polyproline II helix	trans	-83.4	154.5	167.1	-77.4	-90.3	0	0	0	110.9	N305 C308 C315 I319	N305-Y317 PolarHBondContact O-OH 2.84Å; C308-Y317 PolarHBondContact SG-OH 3.18Å; C315-Y317 HydrophobicContact CB-CD2 4.14Å; C315-Y317 HydrophobicContact CB-CE2 3.74Å; C315-Y317 PolarHBondContact O-N 3.24Å; Y317-I319 PolarHBondContact O-N 2.95Å
318	H	29.3	Very low	33.4	Very low	195 Å²	195	125.6 Å²	125.6	90%	0.903	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-62.5	126.5	156.2	-116.6	-85.6	0	0	0	107.5
319	I	29.3	Very low	34	Very low	116 Å²	116	130.5 Å²	130.5	60%	0.595	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-86.6	117.2	178.1	-53.5	172.6	0	0	0	107	Y317 I321	Y317-I319 PolarHBondContact O-N 2.95Å; I319-I321 HydrophobicContact CB-CG1 4.05Å; I319-I321 HydrophobicContact CG2-CG1 3.59Å; I319-I321 PolarHBondContact O-N 3.36Å
320	D	30	Very low	34.4	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	72%	0.722	S	S	*	*			trans	-70.8	103.4	155.4	-89.5	-45	0	0	0	106.5	N322	D320-N322 VanDerWaalsContact C-N 3.29Å; D320-N322 PolarHBondContact O-N 3.2Å; D320-N322 VanDerWaalsContact O-N 3.11Å
321	I	30.1	Very low	34.7	Very low	123 Å²	123	134.3 Å²	134.3	63%	0.631	71%	0.706	S	S	*	*			trans	-85.2	78.6	178.3	-55.3	172.8	0	0	0	107.5	I319	I319-I321 HydrophobicContact CB-CG1 4.05Å; I319-I321 HydrophobicContact CG2-CG1 3.59Å; I319-I321 PolarHBondContact O-N 3.36Å
322	N	31	Very low	34.9	Very low	140 Å²	140	138.5 Å²	138.5	75%	0.749	72%	0.718	S	S	*	*	S	Bend	trans	-162.9	148.3	158.6	-81.8	-43.2	0	0	0	108.5	D320	D320-N322 VanDerWaalsContact C-N 3.29Å; D320-N322 PolarHBondContact O-N 3.2Å; D320-N322 VanDerWaalsContact O-N 3.11Å
323	D	35.8	Very low	35.2	Very low	163 Å²	163	142.2 Å²	142.2	87%	0.872	73%	0.729	S	S	*	*	S	Bend	trans	88.3	22.6	161.4	-50.8	-20	0	0	0	122.6
324	D	35.9	Very low	35.5	Very low	116 Å²	116	145.2 Å²	145.2	62%	0.62	73%	0.73	S	S	*	*			trans	-146.5	113.3	160.5	-160.4	-22.5	0	0	0	115.6	D326	D324-D326 PolarHBondContact OD1-N 3.41Å
325	P	37.2	Very low	35.5	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	74%	0.735	S	S	*	*	S	Bend	trans	-81.2	-12.4	177	32.5	-34.7	0	0	0	115.8
326	D	50.6	Low	35.7	Very low	123 Å²	123	152.6 Å²	152.6	66%	0.658	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-86.2	-7.5	-170.6	-104.6	-22.8	0	0	0	114.6	D324 N328 Q329	D324-D326 PolarHBondContact OD1-N 3.41Å; D326-N328 PolarHBondContact O-N 3.17Å; D326-N328 VanDerWaalsContact O-N 3.1Å; D326-Q329 PolarHBondContact O-N 3.11Å
327	F	42.8	Very low	36.1	Very low	148 Å²	148	153.4 Å²	153.4	65%	0.649	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-60.7	-26.5	-173.4	-163.5	-108.2	0	0	0	114.4	Q329 F330 L331	F327-Q329 VanDerWaalsContact C-N 3.33Å; F327-Q329 PolarHBondContact O-N 3.07Å; F327-F330 PolarHBondContact O-N 3.1Å; F327-L331 HydrophobicContact CD1-CD1 3.95Å; F327-L331 HydrophobicContact CE1-CD1 3.65Å; F327-L331 HydrophobicContact CZ-CD1 4.45Å
328	N	37	Very low	36.3	Very low	133 Å²	133	156.3 Å²	156.3	71%	0.711	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-68	-22.5	-175.3	-78	-47.1	0	0	0	114.9	D326	D326-N328 PolarHBondContact O-N 3.17Å; D326-N328 VanDerWaalsContact O-N 3.1Å
329	Q	42.5	Very low	36.3	Very low	169 Å²	169	155.9 Å²	155.9	79%	0.79	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-76.1	-22	179.1	-85.9	-166.4	22.5	0	0	114	D326 F327	D326-Q329 PolarHBondContact O-N 3.11Å; F327-Q329 VanDerWaalsContact C-N 3.33Å; F327-Q329 PolarHBondContact O-N 3.07Å
330	F	39.1	Very low	36.2	Very low	187 Å²	187	157.5 Å²	157.5	82%	0.82	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-27.7	-170.2	-145	-97.4	0	0	0	113.6	F327 M332	F327-F330 PolarHBondContact O-N 3.1Å; F330-M332 PolarHBondContact O-N 3.44Å
331	L	37.4	Very low	36.2	Very low	118 Å²	118	158.6 Å²	158.6	62%	0.618	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-71.8	-20.3	-175.1	-93.3	127.2	0	0	0	115.3	F327 K333	F327-L331 HydrophobicContact CD1-CD1 3.95Å; F327-L331 HydrophobicContact CE1-CD1 3.65Å; F327-L331 HydrophobicContact CZ-CD1 4.45Å; L331-K333 VanDerWaalsContact C-N 3.27Å; L331-K333 PolarHBondContact O-N 2.91Å
332	M	36.5	Very low	36.2	Very low	171 Å²	171	164 Å²	164	84%	0.842	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-71.5	-12.4	-174.8	-76.9	-75.4	-175.7	0	0	115.1	F330	F330-M332 PolarHBondContact O-N 3.44Å
333	K	40.7	Very low	36.2	Very low	197 Å²	197	166.1 Å²	166.1	86%	0.857	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-101.9	4.4	-160.4	-115.4	174.5	-175.6	170.8	0	117.6	L331	L331-K333 VanDerWaalsContact C-N 3.27Å; L331-K333 PolarHBondContact O-N 2.91Å
334	K	39.3	Very low	35.9	Very low	205 Å²	205	167.8 Å²	167.8	89%	0.891	80%	0.797	S	S	*	*			trans	-133.5	40.1	-173.1	-115	-176.7	-178.9	-176.9	0	116.2
335	K	33.7	Very low	35.6	Very low	193 Å²	193	168.4 Å²	168.4	84%	0.839	81%	0.805	S	S	*	*			trans	-83.4	108.4	161.3	-76.4	178.2	176.7	172	0	109.9
336	N	32.6	Very low	35.3	Very low	154 Å²	154	172.4 Å²	172.4	82%	0.824	81%	0.81	S	S	*	*			trans	151.4	99.5	152.9	-80.5	-17.7	0	0	0	111.3
337	I	36.3	Very low	34.3	Very low	171 Å²	171	173.9 Å²	173.9	88%	0.877	81%	0.813	S	S	*	*			trans	-165.9	135.3	146.8	-93.3	140.2	0	0	0	106
338	Q	34.8	Very low	33.6	Very low	189 Å²	189	172.1 Å²	172.1	88%	0.883	82%	0.817	S	S	*	*			trans	-76.7	141.4	-171.1	-77.2	169.1	-86.1	0	0	113.2
339	F	29	Very low	33.2	Very low	186 Å²	186	169.3 Å²	169.3	82%	0.816	81%	0.808	S	S	*	*			trans	-87	132.2	161.7	-89.9	-103.8	0	0	0	110
340	D	28.7	Very low	32.9	Very low	150 Å²	150	167.6 Å²	167.6	80%	0.802	80%	0.802	S	S	*	*			trans	-155.4	145.1	150.6	-111	-37.5	0	0	0	109.8
341	Q	30	Very low	32.7	Very low	175 Å²	175	163.8 Å²	163.8	82%	0.818	79%	0.79	S	S	*	*			trans	68.3	100.7	-179.2	-46.3	176	20.7	0	0	116.3
342	Y	29.6	Very low	32.5	Very low	236 Å²	236	163.6 Å²	163.6	93%	0.925	79%	0.79	S	S	*	*				-166	153.4	105.8	-118.2	-94.4	0	0	0	112
343	K	30.6	Very low	32.5	Very low	185 Å²	185	166.1 Å²	166.1	80%	0.804	79%	0.79	S	S	*	*			trans	-95.4	127.4	-164.1	-123	172.6	-179.1	173.2	0	112.6	V345	K343-V345 PolarHBondContact O-N 3.27Å
344	Q	29.2	Very low	32.1	Very low	198 Å²	198	161.6 Å²	161.6	93%	0.925	78%	0.775	S	S	*	*			trans	8.1	98.7	154.5	-65.7	176.4	-10.7	0	0	117
345	V	30.3	Very low	32	Very low	130 Å²	130	155.9 Å²	155.9	79%	0.788	75%	0.75	S	S	*	*			trans	-115.9	126.8	156	178.1	0	0	0	0	107.1	K343 E347	K343-V345 PolarHBondContact O-N 3.27Å; V345-E347 PolarHBondContact O-N 3.03Å
346	K	30.2	Very low	32	Very low	203 Å²	203	154.7 Å²	154.7	88%	0.883	75%	0.745	S	S	*	*			trans	-72.8	105.5	173.5	-75.9	-178.6	173.1	-177.5	0	108.7
347	E	29.3	Very low	32	Very low	153 Å²	153	152 Å²	152	72%	0.715	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-65.2	134.5	166.6	-68.8	-174	129.4	0	0	109.9	V345	V345-E347 PolarHBondContact O-N 3.03Å
348	P	27.9	Very low	31.8	Very low	111 Å²	111	147 Å²	147	72%	0.721	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-68.3	146.8	163.7	31	-32.9	0	0	0	109.1	I350	P348-I350 PolarHBondContact O-N 3.49Å
349	S	30.2	Very low	31.7	Very low	75 Å²	75	142.6 Å²	142.6	52%	0.524	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-53.1	124.7	-179.4	12.1	0	0	0	0	111.1	E202 L351	E202-S349 WeakPolarHBondContact OE1-CB 3.46Å; E202-S349 PolarHBondContact OE1-OG 2.94Å; S349-L351 PolarHBondContact O-N 3.42Å
350	I	34.6	Very low	32	Very low	132 Å²	132	139.4 Å²	139.4	68%	0.677	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-1.8	-160.7	-70.9	169.9	0	0	0	113.7	P348 N352	P348-I350 PolarHBondContact O-N 3.49Å; I350-N352 VanDerWaalsContact C-N 3.34Å; I350-N352 PolarHBondContact O-N 3Å
351	L	35	Very low	32.5	Very low	108 Å²	108	137.7 Å²	137.7	57%	0.565	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	8.2	-169.6	-122.8	144.4	0	0	0	115.2	G200 S349	G200-L351 VanDerWaalsContact O-CD1 3.31Å; G200-L351 WeakPolarHBondContact O-CD1 3.42Å; G200-L351 WeakPolarHBondContact O-CD2 3.38Å; S349-L351 PolarHBondContact O-N 3.42Å
352	N	34.1	Very low	33.3	Very low	114 Å²	114	134.9 Å²	134.9	61%	0.61	65%	0.652	S	S	*	*	S	Bend	trans	-106.8	25.9	-174.4	-128.2	-34.3	0	0	0	114.8	I350	I350-N352 VanDerWaalsContact C-N 3.34Å; I350-N352 PolarHBondContact O-N 3Å
353	R	35.6	Very low	34.2	Very low	223 Å²	223	124.9 Å²	124.9	84%	0.842	62%	0.615	S	S	*	*	S	Bend	trans	-109.5	-12.9	-174.5	-90.5	-174.8	175.1	175.4	-0.2	117.9
354	N	32.5	Very low	35.7	Very low	102 Å²	102	119.9 Å²	119.9	55%	0.545	59%	0.594	S	S	.	*			trans	-108.6	22.7	-168.8	-65.6	9.7	0	0	0	115.3	K356	N354-K356 VanDerWaalsContact C-N 3.28Å; N354-K356 PolarHBondContact O-N 3.25Å; N354-K356 VanDerWaalsContact O-N 3.15Å
355	K	37.1	Very low	37.2	Very low	85 Å²	85	113.2 Å²	113.2	37%	0.37	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	24.7	-175	-109.9	174.2	-177.9	171.7	0	115.8	D198 E201 F256	D198-K355 WeakPolarHBondContact OD2-CE 3.13Å; D198-K355 IonicContact OD2-NZ 2.68Å; D198-K355 PolarHBondContact OD2-NZ 3.05Å; E201-K355 IonicContact OE1-NZ 3.63Å; F256-K355 HydrophobicContact CE2-CG 4.35Å
356	K	34.4	Very low	39	Very low	168 Å²	168	110 Å²	110	73%	0.73	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	-15.8	-178.4	-79.7	-173.1	175.8	178.9	0	117.3	N354 C358	N354-K356 VanDerWaalsContact C-N 3.28Å; N354-K356 PolarHBondContact O-N 3.25Å; N354-K356 VanDerWaalsContact O-N 3.15Å; K356-C358 PolarHBondContact O-N 2.63Å
357	D	33.6	Very low	40.7	Very low	97 Å²	97	102.3 Å²	102.3	52%	0.519	52%	0.517	S	S	.	.			trans	-108.5	47.9	-158.6	-58.5	-35.3	0	0	0	114.9
358	C	30.3	Very low	42.6	Very low	67 Å²	67	98.6 Å²	98.6	45%	0.453	50%	0.502	S	S	.	.	S	Bend	trans	-92.8	16	154.8	-74.2	0	0	0	0	112.1	C299 K356	C299-C358 HydrophobicContact CB-CB 4.21Å; K356-C358 PolarHBondContact O-N 2.63Å
359	I	33.6	Very low	44.4	Very low	97 Å²	97	99.1 Å²	99.1	50%	0.497	49%	0.494	S	S	.	.	S	Bend	trans	-131.6	97.1	170.3	-58.1	175.3	0	0	0	105.8	Y361	I359-Y361 HydrophobicContact CG2-CD1 4.35Å; I359-Y361 HydrophobicContact CG2-CE1 4.38Å; I359-Y361 HydrophobicContact CG2-CG 4.41Å; I359-Y361 WeakPolarHBondContact O-CD2 3.43Å; I359-Y361 PolarHBondContact O-N 3.19Å
360	E	35	Very low	46	Very low	119 Å²	119	100.9 Å²	100.9	56%	0.556	49%	0.494	S	S	*	.			trans	-62.3	110.4	157.5	-93.8	-169.6	153.3	0	0	106.2	K303 L362	K303-E360 IonicContact NZ-OE1 2.65Å; K303-E360 PolarHBondContact NZ-OE1 3.3Å; K303-E360 IonicContact NZ-OE2 2.7Å; K303-E360 PolarHBondContact NZ-OE2 3.39Å; E360-L362 PolarHBondContact O-N 3.17Å
361	Y	39.8	Very low	47.4	Very low	114 Å²	114	95.2 Å²	95.2	45%	0.447	47%	0.466	S	S	.	.			trans	-65.8	89.1	176.1	-70.6	-90.2	0	0	0	108.8	I359 L363	I359-Y361 HydrophobicContact CG2-CD1 4.35Å; I359-Y361 HydrophobicContact CG2-CE1 4.38Å; I359-Y361 HydrophobicContact CG2-CG 4.41Å; I359-Y361 WeakPolarHBondContact O-CD2 3.43Å; I359-Y361 PolarHBondContact O-N 3.19Å; Y361-L363 PolarHBondContact O-N 2.76Å; Y361-L363 VanDerWaalsContact O-N 3.07Å
362	L	46.4	Very low	48.9	Very low	115 Å²	115	90.1 Å²	90.1	60%	0.602	44%	0.44	S	S	*	.	S	Bend	trans	-48.6	-30.9	167.8	-115.9	162.9	0	0	0	111	E360 F376 N377	E360-L362 PolarHBondContact O-N 3.17Å; L362-F376 VanDerWaalsContact O-CA 3.22Å; L362-F376 WeakPolarHBondContact O-CA 3.39Å; L362-F376 VanDerWaalsContact O-CB 3.24Å; L362-F376 WeakPolarHBondContact O-CB 3.4Å; L362-N377 PolarHBondContact O-N 3.04Å
363	L	48.8	Very low	50.5	Low	26 Å²	26	86.8 Å²	86.8	14%	0.136	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.6	168.8	-159.3	71.5	0	0	0	110.8	Y361 I365 I374 C375 F376 L465 I482	Y361-L363 PolarHBondContact O-N 2.76Å; Y361-L363 VanDerWaalsContact O-N 3.07Å; L363-I365 HydrophobicContact CD2-CD1 3.66Å; L363-I365 HydrophobicContact CD2-CG1 3.99Å; L363-I365 HydrophobicContact CG-CD1 4.24Å; L363-I365 HydrophobicContact CG-CG1 4.01Å; L363-I374 HydrophobicContact CD1-CG2 3.59Å; L363-I374 HydrophobicContact CD2-CG2 4.29Å; L363-I374 HydrophobicContact CG-CG2 4.12Å; L363-C375 CarbonylContact C-O 3.47Å; L363-C375 WeakPolarHBondContact CA-O 3.03Å; L363-F376 HydrophobicContact CD1-CB 4.09Å; L363-L465 HydrophobicContact CD1-CD2 3.64Å; L363-L465 HydrophobicContact CD2-CD2 3.99Å; L363-L465 HydrophobicContact CG-CD2 4.49Å; L363-I482 HydrophobicContact CB-CD1 4.46Å; L363-I482 HydrophobicContact CD2-CB 4.25Å; L363-I482 HydrophobicContact CD2-CD1 4.12Å; L363-I482 HydrophobicContact CD2-CG2 3.75Å
364	H	61.2	Low	52	Low	80 Å²	80	76.3 Å²	76.3	37%	0.37	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.5	172.8	175.1	-101.1	0	0	0	109.2	T366 C375	H364-T366 WeakPolarHBondContact CE1-CG2 3.21Å; H364-C375 HydrophobicContact CB-CB 4.38Å; H364-C375 PolarHBondContact N-O 3.13Å; H364-C375 PolarHBondContact O-N 3.33Å
365	I	61.9	Low	53.4	Low	59 Å²	59	71.9 Å²	71.9	30%	0.303	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.7	-178.5	-55.2	171.9	0	0	0	108.9	L363 I372 H373 I374 F484	L363-I365 HydrophobicContact CD2-CD1 3.66Å; L363-I365 HydrophobicContact CD2-CG1 3.99Å; L363-I365 HydrophobicContact CG-CD1 4.24Å; L363-I365 HydrophobicContact CG-CG1 4.01Å; I365-I372 HydrophobicContact CG2-CG2 4.23Å; I365-H373 WeakPolarHBondContact CA-O 3.32Å; I365-I374 HydrophobicContact CG1-CG1 4.34Å; I365-I374 HydrophobicContact CG1-CG2 4.32Å; I365-I374 HydrophobicContact CG2-CG1 4.26Å; I365-F484 HydrophobicContact CD1-CB 3.32Å; I365-F484 HydrophobicContact CD1-CD1 4.37Å; I365-F484 HydrophobicContact CD1-CD2 4.5Å; I365-F484 HydrophobicContact CD1-CG 3.86Å
366	T	67.4	Low	54.5	Low	61 Å²	61	71.4 Å²	71.4	37%	0.374	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.7	168.3	49.3	0	0	0	0	109.7	H364 H373	H364-T366 WeakPolarHBondContact CE1-CG2 3.21Å; T366-H373 PolarHBondContact N-O 2.95Å; T366-H373 PolarHBondContact O-N 3.07Å
367	C	66.8	Low	55.4	Low	43 Å²	43	65.8 Å²	65.8	29%	0.291	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.5	169.2	68.7	0	0	0	0	111.5	S371 I372 C486	C367-S371 VanDerWaalsContact CA-O 3.27Å; C367-S371 WeakPolarHBondContact CA-O 3.08Å; C367-I372 HydrophobicContact CB-CB 4.31Å; C367-I372 HydrophobicContact CB-CG1 4.06Å; C367-I372 HydrophobicContact CB-CG2 4.25Å; C367-C486 HydrophobicContact CB-CB 3.85Å; C367-C486 WeakPolarHBondContact CB-SG 3.33Å; C367-C486 WeakPolarHBondContact SG-CB 3.12Å; C367-C486 CovalentContact SG-SG 2.02Å; C367-C486 PolarHBondContact SG-SG 2.86Å
368	N	68.9	Low	56.1	Low	75 Å²	75	62.8 Å²	62.8	40%	0.401	32%	0.318	S	S	.	.			trans	-131.3	-175.5	175.7	64.4	52.3	0	0	0	107.9	E370 S371 I440 I488	N368-E370 PolarHBondContact O-N 2.88Å; N368-E370 VanDerWaalsContact O-N 3.12Å; N368-E370 WeakPolarHBondContact OD1-CA 3.09Å; N368-E370 PolarHBondContact OD1-N 2.83Å; N368-S371 PolarHBondContact N-O 2.71Å; N368-S371 PolarHBondContact ND2-OG 2.96Å; N368-S371 PolarHBondContact OD1-N 2.92Å; N368-S371 PolarHBondContact OD1-OG 3.2Å; N368-I440 VanDerWaalsContact O-CD1 3.31Å; N368-I440 WeakPolarHBondContact O-CD1 3.32Å; N368-I488 WeakPolarHBondContact O-CD1 3.31Å
369	Q	64.7	Low	56.6	Low	122 Å²	122	63 Å²	63	57%	0.57	32%	0.318	S	S	*	.	S	Bend	trans	-64.9	-12.9	-177.5	-69.4	-179.9	-18	0	0	115	I488	Q369-I488 HydrophobicContact CG-CG2 3.9Å
370	E	63.9	Low	56.8	Low	112 Å²	112	65.9 Å²	65.9	52%	0.523	32%	0.324	S	S	.	.	S	Bend	trans	-119.5	-24.2	-173.3	-50	-166.1	137.2	0	0	113.7	N368 N439 I440 Q441	N368-E370 PolarHBondContact O-N 2.88Å; N368-E370 VanDerWaalsContact O-N 3.12Å; N368-E370 WeakPolarHBondContact OD1-CA 3.09Å; N368-E370 PolarHBondContact OD1-N 2.83Å; E370-N439 PolarHBondContact O-OD1 2.91Å; E370-I440 PolarHBondContact O-N 3.49Å; E370-Q441 HydrophobicContact CB-CG 4.48Å; E370-Q441 PolarHBondContact OE1-NE2 3.5Å
371	S	64.4	Low	56.8	Low	13 Å²	13	62.6 Å²	62.6	9%	0.091	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.2	-176.1	59.3	0	0	0	0	114.9	C367 N368 H373 L438	C367-S371 VanDerWaalsContact CA-O 3.27Å; C367-S371 WeakPolarHBondContact CA-O 3.08Å; N368-S371 PolarHBondContact N-O 2.71Å; N368-S371 PolarHBondContact ND2-OG 2.96Å; N368-S371 PolarHBondContact OD1-N 2.92Å; N368-S371 PolarHBondContact OD1-OG 3.2Å; S371-H373 PolarHBondContact OG-CD2 2.81Å; S371-H373 VanDerWaalsContact OG-CD2 3.23Å; S371-H373 PolarHBondContact OG-NE2 2.93Å; S371-L438 CarbonylContact C-O 3.51Å; S371-L438 WeakPolarHBondContact CA-O 3.31Å; S371-L438 WeakPolarHBondContact CB-O 3.34Å
372	I	65.8	Low	56.6	Low	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.6	163.4	-48.1	177.4	0	0	0	107.3	I365 C367 I374 L438 I440 L445 F461 C486	I365-I372 HydrophobicContact CG2-CG2 4.23Å; C367-I372 HydrophobicContact CB-CB 4.31Å; C367-I372 HydrophobicContact CB-CG1 4.06Å; C367-I372 HydrophobicContact CB-CG2 4.25Å; I372-I374 HydrophobicContact CG2-CD1 4.42Å; I372-I374 HydrophobicContact CG2-CG1 4.08Å; I372-L438 HydrophobicContact CB-CB 4.25Å; I372-L438 HydrophobicContact CB-CD1 4.29Å; I372-L438 PolarHBondContact N-O 2.74Å; I372-L438 PolarHBondContact O-N 2.75Å; I372-I440 HydrophobicContact CD1-CD1 4.45Å; I372-I440 HydrophobicContact CG1-CD1 3.73Å; I372-I440 HydrophobicContact CG1-CG1 3.95Å; I372-L445 HydrophobicContact CD1-CD2 4.01Å; I372-F461 HydrophobicContact CD1-CB 3.91Å; I372-F461 HydrophobicContact CD1-CG 4.33Å; I372-C486 HydrophobicContact CD1-CB 4.38Å
373	H	68.4	Low	55.8	Low	44 Å²	44	59.8 Å²	59.8	20%	0.204	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.5	175.8	-62.3	-128.1	0	0	0	107.9	I365 T366 S371 L436 M437	I365-H373 WeakPolarHBondContact CA-O 3.32Å; T366-H373 PolarHBondContact N-O 2.95Å; T366-H373 PolarHBondContact O-N 3.07Å; S371-H373 PolarHBondContact OG-CD2 2.81Å; S371-H373 VanDerWaalsContact OG-CD2 3.23Å; S371-H373 PolarHBondContact OG-NE2 2.93Å; H373-L436 WeakPolarHBondContact CA-O 3.38Å; H373-M437 WeakPolarHBondContact CE1-CE 3.3Å; H373-M437 PolarHBondContact CE1-SD 2.68Å; H373-M437 WeakPolarHBondContact ND1-CG 3.02Å
374	I	66.4	Low	55	Low	3 Å²	3	64.5 Å²	64.5	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	98	178.9	-59.1	175.4	0	0	0	106.5	L363 I365 I372 L436 L438 F484	L363-I374 HydrophobicContact CD1-CG2 3.59Å; L363-I374 HydrophobicContact CD2-CG2 4.29Å; L363-I374 HydrophobicContact CG-CG2 4.12Å; I365-I374 HydrophobicContact CG1-CG1 4.34Å; I365-I374 HydrophobicContact CG1-CG2 4.32Å; I365-I374 HydrophobicContact CG2-CG1 4.26Å; I372-I374 HydrophobicContact CG2-CD1 4.42Å; I372-I374 HydrophobicContact CG2-CG1 4.08Å; I374-L436 HydrophobicContact CB-CB 4.33Å; I374-L436 PolarHBondContact N-O 3.41Å; I374-L436 PolarHBondContact O-N 2.84Å; I374-L438 HydrophobicContact CD1-CD1 3.92Å; I374-F484 HydrophobicContact CD1-CD1 4.42Å; I374-F484 HydrophobicContact CD1-CE1 3.79Å; I374-F484 HydrophobicContact CD1-CE2 4.01Å; I374-F484 HydrophobicContact CD1-CZ 3.55Å
375	C	62	Low	53.7	Low	9 Å²	9	66.3 Å²	66.3	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.8	-179.1	-61.1	0	0	0	0	111	L363 H364 Q433 Y434 C435	L363-C375 CarbonylContact C-O 3.47Å; L363-C375 WeakPolarHBondContact CA-O 3.03Å; H364-C375 HydrophobicContact CB-CB 4.38Å; H364-C375 PolarHBondContact N-O 3.13Å; H364-C375 PolarHBondContact O-N 3.33Å; C375-Q433 HydrophobicContact CB-CG 4.06Å; C375-Y434 CarbonylContact C-O 3.51Å; C375-Y434 WeakPolarHBondContact CA-O 3.41Å; C375-C435 HydrophobicContact CB-CB 4.13Å; C375-C435 WeakPolarHBondContact CB-SG 3.39Å; C375-C435 WeakPolarHBondContact SG-CB 3.2Å; C375-C435 CovalentContact SG-SG 2.04Å; C375-C435 PolarHBondContact SG-SG 2.83Å
376	F	61.5	Low	52.3	Low	76 Å²	76	69.1 Å²	69.1	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.8	174.6	53.3	-83.5	0	0	0	110.9	L362 L363 L425 Q433 Y434	L362-F376 VanDerWaalsContact O-CA 3.22Å; L362-F376 WeakPolarHBondContact O-CA 3.39Å; L362-F376 VanDerWaalsContact O-CB 3.24Å; L362-F376 WeakPolarHBondContact O-CB 3.4Å; L363-F376 HydrophobicContact CD1-CB 4.09Å; F376-L425 HydrophobicContact CE1-CD1 4.45Å; F376-Q433 WeakPolarHBondContact O-CA 3.03Å; F376-Y434 WeakPolarHBondContact CD1-O 3.43Å; F376-Y434 AromaticContact CD2-CD2 3.82Å; F376-Y434 HydrophobicContact CD2-CD2 3.82Å; F376-Y434 HydrophobicContact CD2-CG 4.24Å; F376-Y434 VanDerWaalsContact CE2-CB 3.44Å; F376-Y434 AromaticContact CE2-CD2 3.44Å; F376-Y434 HydrophobicContact CE2-CD2 3.44Å; F376-Y434 VanDerWaalsContact CE2-CD2 3.44Å; F376-Y434 HydrophobicContact CE2-CE2 4.33Å; F376-Y434 AromaticContact CE2-CG 3.61Å; F376-Y434 HydrophobicContact CE2-CG 3.61Å; F376-Y434 HydrophobicContact CZ-CD2 4.14Å; F376-Y434 AromaticContact CZ-CG 3.82Å; F376-Y434 HydrophobicContact CZ-CG 3.82Å; F376-Y434 PolarHBondContact N-O 3Å; F376-Y434 PolarHBondContact O-N 2.83Å
377	N	52.3	Low	50.4	Low	50 Å²	50	74 Å²	74	27%	0.267	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.2	176.3	-71.3	-0.8	0	0	0	109.3	L362 P379 N432 Q433	L362-N377 PolarHBondContact O-N 3.04Å; N377-P379 WeakPolarHBondContact O-CD 3.46Å; N377-N432 CarbonylContact C-O 3.37Å; N377-N432 VanDerWaalsContact CA-O 3.29Å; N377-N432 WeakPolarHBondContact CA-O 3.38Å; N377-Q433 WeakPolarHBondContact OD1-CG 3.48Å; N377-Q433 PolarHBondContact OD1-NE2 3.49Å
378	N	48.6	Very low	48.6	Very low	33 Å²	33	78.5 Å²	78.5	18%	0.176	40%	0.401	C	S	.	.			trans	-68.6	119	171.8	-177.6	2.6	0	0	0	108.8	Y380 N432 Y434	N378-Y380 PolarHBondContact ND2-O 2.87Å; N378-Y380 PolarHBondContact O-N 2.93Å; N378-Y380 PolarHBondContact OD1-N 3.4Å; N378-Y380 VanDerWaalsContact OD1-N 3.09Å; N378-N432 HydrophobicContact CB-CB 4.27Å; N378-N432 PolarHBondContact N-O 3.46Å; N378-Y434 HydrophobicContact CB-CE2 4.32Å
379	P	41.6	Very low	46.7	Very low	71 Å²	71	84.1 Å²	84.1	46%	0.461	42%	0.418	S	S	.	.	S	Bend	trans	-67.5	-15.3	-180	26.9	-34.3	0	0	0	113.3	N377	N377-P379 WeakPolarHBondContact O-CD 3.46Å
380	Y	36.1	Very low	45	Very low	159 Å²	159	86.8 Å²	86.8	62%	0.624	44%	0.436	S	S	*	.	S	Bend	trans	-101.3	124.6	-178.4	-58	-72.6	0	0	0	112.3	N378	N378-Y380 PolarHBondContact ND2-O 2.87Å; N378-Y380 PolarHBondContact O-N 2.93Å; N378-Y380 PolarHBondContact OD1-N 3.4Å; N378-Y380 VanDerWaalsContact OD1-N 3.09Å
381	P	35.5	Very low	43.4	Very low	50 Å²	50	90.9 Å²	90.9	33%	0.325	45%	0.449	S	S	.	.			trans	-73.9	137	172.8	30.7	-33.9	0	0	0	111.2	S383 I384	P381-S383 PolarHBondContact O-N 2.94Å; P381-I384 HydrophobicContact CG-CD1 3.71Å; P381-I384 HydrophobicContact CG-CG1 4.02Å; P381-I384 PolarHBondContact O-N 2.85Å; P381-I384 VanDerWaalsContact O-N 3.12Å
382	I	35.6	Very low	41.6	Very low	93 Å²	93	99.4 Å²	99.4	48%	0.477	48%	0.484	S	S	.	.	H	α-helix	trans	-56.5	-23.8	-179.2	-61.8	169.1	0	0	0	112.5	I384 I385 N432	I382-I384 VanDerWaalsContact C-N 3.35Å; I382-I384 PolarHBondContact O-N 3.48Å; I382-I385 WeakPolarHBondContact O-CB 3.27Å; I382-I385 PolarHBondContact O-N 3.22Å; I382-N432 WeakPolarHBondContact CD1-OD1 3.49Å
383	S	29.1	Very low	39.7	Very low	76 Å²	76	106.7 Å²	106.7	53%	0.531	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-33.3	177.3	49.3	0	0	0	0	114.2	P381 I385 N386	P381-S383 PolarHBondContact O-N 2.94Å; S383-I385 PolarHBondContact O-N 2.99Å; S383-N386 PolarHBondContact O-N 2.92Å
384	I	32.7	Very low	37.6	Very low	126 Å²	126	112 Å²	112	65%	0.646	55%	0.552	S	S	*	*	H	α-helix	trans	-69.4	-25.8	178.6	-65.9	175.2	0	0	0	111.2	P381 I382 N386	P381-I384 HydrophobicContact CG-CD1 3.71Å; P381-I384 HydrophobicContact CG-CG1 4.02Å; P381-I384 PolarHBondContact O-N 2.85Å; P381-I384 VanDerWaalsContact O-N 3.12Å; I382-I384 VanDerWaalsContact C-N 3.35Å; I382-I384 PolarHBondContact O-N 3.48Å; I384-N386 VanDerWaalsContact C-N 3.31Å; I384-N386 PolarHBondContact O-N 3.35Å
385	I	35	Very low	35.6	Very low	118 Å²	118	114.9 Å²	114.9	61%	0.605	57%	0.572	S	S	*	*	H	α-helix	trans	-76	-19.7	179	-55.1	176.1	0	0	0	111.7	I382 S383	I382-I385 WeakPolarHBondContact O-CB 3.27Å; I382-I385 PolarHBondContact O-N 3.22Å; S383-I385 PolarHBondContact O-N 2.99Å
386	N	30.8	Very low	33.9	Very low	117 Å²	117	122.5 Å²	122.5	63%	0.626	61%	0.612	S	S	*	*	S	Bend	trans	-108.5	-1.2	-168.4	-79.8	-18.9	0	0	0	115.9	S383 I384	S383-N386 PolarHBondContact O-N 2.92Å; I384-N386 VanDerWaalsContact C-N 3.31Å; I384-N386 PolarHBondContact O-N 3.35Å
387	H	29.1	Very low	32.2	Very low	165 Å²	165	123.7 Å²	123.7	76%	0.764	62%	0.622	S	S	*	*	S	Bend	trans	-124	9.9	-170.5	-88.6	1.5	0	0	0	117
388	N	28.4	Very low	31	Very low	136 Å²	136	128.2 Å²	128.2	73%	0.727	65%	0.645	S	S	*	*	S	Bend	trans	-136.9	138.6	165.3	-86.4	-51.4	0	0	0	112.2
389	Y	29.6	Very low	29.9	Very low	194 Å²	194	132 Å²	132	76%	0.761	66%	0.657	S	S	*	*			trans	80.1	103.9	172.6	-60.3	-72.1	0	0	0	120.1	Y391	Y389-Y391 AromaticContact CD1-CD2 3.96Å; Y389-Y391 HydrophobicContact CD1-CD2 3.96Å; Y389-Y391 HydrophobicContact CD1-CE2 4.45Å; Y389-Y391 PolarHBondContact O-N 2.99Å
390	N	28.9	Very low	29.2	Very low	177 Å²	177	134.7 Å²	134.7	95%	0.947	67%	0.667	S	S	*	*			trans	-65.2	25.8	159.1	-105.8	-35.4	0	0	0	114.2	K392	N390-K392 PolarHBondContact O-N 3.48Å
391	Y	29.6	Very low	28.8	Very low	199 Å²	199	134.2 Å²	134.2	78%	0.78	67%	0.668	S	S	*	*			trans	-94.9	87.5	178.5	-87.2	-86.8	0	0	0	112	Y389 L393	Y389-Y391 AromaticContact CD1-CD2 3.96Å; Y389-Y391 HydrophobicContact CD1-CD2 3.96Å; Y389-Y391 HydrophobicContact CD1-CE2 4.45Å; Y389-Y391 PolarHBondContact O-N 2.99Å; Y391-L393 PolarHBondContact O-N 2.75Å; Y391-L393 VanDerWaalsContact O-N 3.08Å
392	K	26.5	Very low	28.3	Very low	192 Å²	192	141.1 Å²	141.1	84%	0.835	69%	0.693	S	S	*	*			trans	21.2	75.7	141.8	-151.8	176	-168.3	175.9	0	118	N390	N390-K392 PolarHBondContact O-N 3.48Å
393	L	25.1	Very low	27.8	Very low	152 Å²	152	141.3 Å²	141.3	80%	0.796	70%	0.703	S	S	*	*			trans	53.2	103.5	145.5	-73.9	141.7	0	0	0	118.6	Y391	Y391-L393 PolarHBondContact O-N 2.75Å; Y391-L393 VanDerWaalsContact O-N 3.08Å
394	N	24.5	Very low	27.8	Very low	157 Å²	157	144.8 Å²	144.8	84%	0.84	71%	0.714	S	S	*	*				-159.1	150.6	110.4	-95	-36	0	0	0	111.2	D396	N394-D396 PolarHBondContact O-N 2.67Å
395	S	24.8	Very low	27.5	Very low	63 Å²	63	145.2 Å²	145.2	44%	0.441	72%	0.717	S	S	.	*			trans	-71.4	114	-172.7	52.9	0	0	0	0	114.2	L397	S395-L397 PolarHBondContact O-N 3.19Å
396	D	25.6	Very low	27	Very low	168 Å²	168	149 Å²	149	90%	0.898	73%	0.73	S	S	*	*			trans	-78.6	68	161.4	-68.2	-34.6	0	0	0	110.4	N394	N394-D396 PolarHBondContact O-N 2.67Å
397	L	27.1	Very low	26.8	Very low	102 Å²	102	148.2 Å²	148.2	53%	0.534	73%	0.731	S	S	.	*			trans	-64.3	145.2	156.6	-100.1	87.7	0	0	0	108.6	S395 Y399	S395-L397 PolarHBondContact O-N 3.19Å; L397-Y399 VanDerWaalsContact C-N 3.28Å; L397-Y399 HydrophobicContact CB-CD2 4.18Å; L397-Y399 HydrophobicContact CB-CE2 4.2Å; L397-Y399 VanDerWaalsContact O-CD2 3.27Å; L397-Y399 WeakPolarHBondContact O-CD2 3.21Å; L397-Y399 PolarHBondContact O-N 2.79Å
398	I	26.5	Very low	26.6	Very low	145 Å²	145	149.7 Å²	149.7	74%	0.744	74%	0.735	S	S	*	*			trans	-63.1	94.6	162.2	-63.3	174	0	0	0	107.7	L400	I398-L400 PolarHBondContact O-N 2.7Å
399	Y	26.2	Very low	26.5	Very low	112 Å²	112	153 Å²	153	44%	0.439	74%	0.743	S	S	.	*			trans	-84.3	92.3	-172.8	-94.1	-70.2	0	0	0	111.2	L397 K401 T470	L397-Y399 VanDerWaalsContact C-N 3.28Å; L397-Y399 HydrophobicContact CB-CD2 4.18Å; L397-Y399 HydrophobicContact CB-CE2 4.2Å; L397-Y399 VanDerWaalsContact O-CD2 3.27Å; L397-Y399 WeakPolarHBondContact O-CD2 3.21Å; L397-Y399 PolarHBondContact O-N 2.79Å; Y399-K401 HydrophobicContact CD1-CB 4.07Å; Y399-K401 HydrophobicContact CD1-CD 3.92Å; Y399-K401 HydrophobicContact CD1-CG 4.37Å; Y399-K401 HydrophobicContact CE1-CD 4.13Å; Y399-K401 PolarHBondContact O-N 3.38Å; Y399-T470 PolarHBondContact O-OG1 3.18Å; Y399-T470 VanDerWaalsContact O-OG1 3.07Å
400	L	26.7	Very low	26.4	Very low	127 Å²	127	149 Å²	149	67%	0.665	73%	0.734	S	S	*	*			trans	-68.7	75.2	155.4	-82.1	167.3	0	0	0	109.2	I398	I398-L400 PolarHBondContact O-N 2.7Å
401	K	27.1	Very low	26.3	Very low	149 Å²	149	150.8 Å²	150.8	65%	0.648	73%	0.734	S	S	*	*			trans	-109.9	101	-172.8	-153.4	175	-171.6	178	0	113.5	Y399 S403	Y399-K401 HydrophobicContact CD1-CB 4.07Å; Y399-K401 HydrophobicContact CD1-CD 3.92Å; Y399-K401 HydrophobicContact CD1-CG 4.37Å; Y399-K401 HydrophobicContact CE1-CD 4.13Å; Y399-K401 PolarHBondContact O-N 3.38Å; K401-S403 PolarHBondContact O-N 2.78Å
402	K	25.3	Very low	26.1	Very low	196 Å²	196	148.1 Å²	148.1	85%	0.852	73%	0.733	S	S	*	*			trans	-19.9	120.7	150.2	-165.3	178.7	-171.4	-179.2	0	112.9
403	S	25.8	Very low	26.1	Very low	97 Å²	97	144.7 Å²	144.7	68%	0.678	72%	0.723	S	S	*	*	S	Bend	trans	-64.2	158.3	177.1	53.2	0	0	0	0	112.7	K401	K401-S403 PolarHBondContact O-N 2.78Å
404	I	27.8	Very low	26.2	Very low	148 Å²	148	146.6 Å²	146.6	76%	0.759	73%	0.725	S	S	*	*			trans	83.6	92.2	168.1	-48.7	169.2	0	0	0	116.6
405	N	27.2	Very low	26.1	Very low	136 Å²	136	146 Å²	146	73%	0.727	72%	0.722	S	S	*	*			trans	63.7	137	136.5	-62.7	-12.5	0	0	0	124.3
406	F	25.2	Very low	26.4	Very low	196 Å²	196	151.5 Å²	151.5	86%	0.86	73%	0.734	S	S	*	*			trans	81	153.8	155	-77.8	-55.2	0	0	0	119.6
407	P	26.3	Very low	26.3	Very low	102 Å²	102	149 Å²	149	66%	0.662	73%	0.73	S	S	*	*				-130.3	175	-121.3	44	-28.6	0	0	0	116.1
408	K	24.8	Very low	26.5	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	73%	0.725	S	S	*	*			trans	40.9	83.3	158	-70.1	-177.7	177.5	177.5	0	116.7
409	F	25.5	Very low	26.5	Very low	205 Å²	205	148.6 Å²	148.6	90%	0.899	73%	0.729	S	S	*	*			trans	-169.8	176.1	133.8	-111.9	-74.6	0	0	0	110.5
410	I	28.5	Very low	26.6	Very low	110 Å²	110	148.4 Å²	148.4	56%	0.564	74%	0.736	S	S	*	*			trans	76.8	93.5	166.5	-38.8	-171.6	0	0	0	116.6	N412 L413	I410-N412 HydrophobicContact CG2-CB 3.86Å; I410-N412 PolarHBondContact O-N 2.8Å; I410-L413 HydrophobicContact CB-CD1 3.72Å; I410-L413 HydrophobicContact CD1-CD1 4.19Å; I410-L413 HydrophobicContact CG1-CD1 4.48Å; I410-L413 HydrophobicContact CG2-CD1 3.61Å; I410-L413 HydrophobicContact CG2-CG 4.45Å
411	K	26.3	Very low	26.8	Very low	215 Å²	215	151.1 Å²	151.1	94%	0.935	74%	0.742	S	S	*	*	S	Bend	trans	-74.2	25.6	170.1	-153.8	174.2	-178.1	-179.5	0	113.4
412	N	26.3	Very low	27.7	Very low	144 Å²	144	147.2 Å²	147.2	77%	0.77	73%	0.725	S	S	*	*			trans	-150.5	71.7	-168.3	-78.3	-22	0	0	0	111.3	I410	I410-N412 HydrophobicContact CG2-CB 3.86Å; I410-N412 PolarHBondContact O-N 2.8Å
413	L	26	Very low	28.4	Very low	120 Å²	120	140.1 Å²	140.1	63%	0.628	70%	0.7	S	S	*	*			trans	-149.1	76	179.5	-100.6	136.6	0	0	0	114.2	I410	I410-L413 HydrophobicContact CB-CD1 3.72Å; I410-L413 HydrophobicContact CD1-CD1 4.19Å; I410-L413 HydrophobicContact CG1-CD1 4.48Å; I410-L413 HydrophobicContact CG2-CD1 3.61Å; I410-L413 HydrophobicContact CG2-CG 4.45Å
414	F	26.2	Very low	29.3	Very low	192 Å²	192	143 Å²	143	84%	0.842	70%	0.697	S	S	*	*			trans	-107.8	64.2	146.8	-84.3	-75.7	0	0	0	108.9
415	N	23.8	Very low	30.3	Very low	143 Å²	143	141.3 Å²	141.3	77%	0.765	69%	0.689	S	S	*	*			trans	-117.6	86.2	172.1	-110.3	-12	0	0	0	108.5	S417	N415-S417 PolarHBondContact O-N 3.48Å
416	Y	30.7	Very low	31.6	Very low	179 Å²	179	138.7 Å²	138.7	70%	0.702	67%	0.674	S	S	*	*			trans	-67.9	109.1	164.2	-94.7	-84.5	0	0	0	108.2	I418	Y416-I418 PolarHBondContact O-N 3.11Å
417	S	23.9	Very low	32.6	Very low	117 Å²	117	133.7 Å²	133.7	82%	0.818	66%	0.656	S	S	*	*			trans	-74.5	68.1	172.3	56.7	0	0	0	0	111.2	N415 N419	N415-S417 PolarHBondContact O-N 3.48Å; S417-N419 VanDerWaalsContact C-N 3.31Å; S417-N419 PolarHBondContact O-N 2.84Å
418	I	29.5	Very low	33.8	Very low	83 Å²	83	131.9 Å²	131.9	43%	0.426	64%	0.641	S	S	.	*			trans	-71.5	96.5	157.1	-48.9	178.2	0	0	0	106.3	Y416 N420 K421	Y416-I418 PolarHBondContact O-N 3.11Å; I418-N420 VanDerWaalsContact CG2-C 3.47Å; I418-N420 WeakPolarHBondContact CG2-O 3.09Å; I418-N420 PolarHBondContact O-N 3.31Å; I418-K421 PolarHBondContact O-N 2.79Å
419	N	28.1	Very low	34.6	Very low	154 Å²	154	127.8 Å²	127.8	82%	0.824	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	99	155.7	-96.8	-12.8	0	0	0	106.4	S417	S417-N419 VanDerWaalsContact C-N 3.31Å; S417-N419 PolarHBondContact O-N 2.84Å
420	N	27.3	Very low	35.5	Very low	108 Å²	108	124.6 Å²	124.6	58%	0.578	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.4	55.1	-169.6	-50.4	-52.1	0	0	0	118.6	I418 K422	I418-N420 VanDerWaalsContact CG2-C 3.47Å; I418-N420 WeakPolarHBondContact CG2-O 3.09Å; I418-N420 PolarHBondContact O-N 3.31Å; N420-K422 HydrophobicContact CB-CD 4.34Å; N420-K422 VanDerWaalsContact O-CB 3.22Å; N420-K422 WeakPolarHBondContact O-CB 3.01Å; N420-K422 WeakPolarHBondContact O-CD 3.04Å; N420-K422 WeakPolarHBondContact O-CG 3.38Å; N420-K422 PolarHBondContact O-N 3.23Å
421	K	30.4	Very low	36.5	Very low	184 Å²	184	125 Å²	125	80%	0.8	63%	0.626	S	S	*	*			trans	49.3	12	130.3	-67.2	-168.5	174.4	-174.9	0	123	I418	I418-K421 PolarHBondContact O-N 2.79Å
422	K	46.2	Very low	37.9	Very low	67 Å²	67	118 Å²	118	29%	0.291	60%	0.599	S	S	.	*			trans	-122.7	8	-151.7	-72.5	166.2	173.8	-74.4	0	120.6	N420 E444	N420-K422 HydrophobicContact CB-CD 4.34Å; N420-K422 VanDerWaalsContact O-CB 3.22Å; N420-K422 WeakPolarHBondContact O-CB 3.01Å; N420-K422 WeakPolarHBondContact O-CD 3.04Å; N420-K422 WeakPolarHBondContact O-CG 3.38Å; N420-K422 PolarHBondContact O-N 3.23Å; K422-E444 HydrophobicContact CB-CG 4.05Å; K422-E444 HydrophobicContact CD-CG 3.83Å; K422-E444 HydrophobicContact CG-CG 3.93Å; K422-E444 WeakPolarHBondContact CG-OE1 3.42Å; K422-E444 IonicContact NZ-OE1 3.46Å; K422-E444 PolarHBondContact NZ-OE1 2.93Å
423	C	40.7	Very low	39.1	Very low	48 Å²	48	113.9 Å²	113.9	32%	0.324	58%	0.575	S	S	.	*			trans	-139.2	138.6	171.5	-54.5	0	0	0	0	110.7	L436	C423-L436 HydrophobicContact CB-CD1 4.32Å
424	Y	45.4	Very low	40.8	Very low	157 Å²	157	111.6 Å²	111.6	62%	0.616	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.7	124.5	-179.2	-60.4	-81.4	0	0	0	110.9	M437	Y424-M437 PolarHBondContact O-N 3.33Å
425	L	47.5	Very low	42.3	Very low	112 Å²	112	103.3 Å²	103.3	59%	0.586	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.6	165.2	-168.3	84.7	0	0	0	108.1	F376	F376-L425 HydrophobicContact CE1-CD1 4.45Å
426	I	54.5	Low	44.3	Very low	81 Å²	81	98.8 Å²	98.8	42%	0.415	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109.5	173	-56	179.4	0	0	0	107.3	C435 M437	I426-C435 HydrophobicContact CB-CB 4.5Å; I426-C435 PolarHBondContact N-O 3.14Å; I426-C435 PolarHBondContact O-N 3.12Å; I426-M437 HydrophobicContact CD1-CG 4.24Å; I426-M437 HydrophobicContact CD1-SD 3.49Å; I426-M437 WeakPolarHBondContact CD1-SD 3.29Å
427	N	46.3	Very low	45.9	Very low	91 Å²	91	93.1 Å²	93.1	49%	0.487	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.5	165	-177.8	14.7	0	0	0	108.1	P429 Y434	N427-P429 WeakPolarHBondContact O-CD 3.42Å; N427-Y434 HydrophobicContact CB-CD1 4.38Å
428	N	51.1	Low	47.9	Very low	65 Å²	65	88 Å²	88	35%	0.348	44%	0.444	S	S	.	.			trans	-99.8	99.4	174.9	-171.7	-7.5	0	0	0	108.5	N430 H431	N428-N430 PolarHBondContact O-N 3.15Å; N428-H431 PolarHBondContact ND2-CD2 2.98Å; N428-H431 PolarHBondContact O-N 3.44Å
429	P	42.6	Very low	49.5	Very low	109 Å²	109	86.8 Å²	86.8	71%	0.708	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14	-167.6	25.8	-35.8	0	0	0	114.9	N427	N427-P429 WeakPolarHBondContact O-CD 3.42Å
430	N	43.9	Very low	51.1	Low	138 Å²	138	80.7 Å²	80.7	74%	0.738	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.9	179.9	-63.6	-1.3	0	0	0	113.4	N428	N428-N430 PolarHBondContact O-N 3.15Å
431	H	49.2	Very low	52.5	Low	117 Å²	117	81.7 Å²	81.7	54%	0.542	41%	0.407	S	S	.	.	S	Bend	trans	-134.4	144	179.6	-63.1	-84.2	0	0	0	109.5	N428 Q433	N428-H431 PolarHBondContact ND2-CD2 2.98Å; N428-H431 PolarHBondContact O-N 3.44Å; H431-Q433 HydrophobicContact CB-CB 4.33Å; H431-Q433 PolarHBondContact O-N 2.84Å
432	N	55.1	Low	53.3	Low	70 Å²	70	78.2 Å²	78.2	37%	0.374	39%	0.392	S	S	.	.	S	Bend	trans	-73.3	46.9	177.4	-72	-23.4	0	0	0	111.9	N377 N378 I382	N377-N432 CarbonylContact C-O 3.37Å; N377-N432 VanDerWaalsContact CA-O 3.29Å; N377-N432 WeakPolarHBondContact CA-O 3.38Å; N378-N432 HydrophobicContact CB-CB 4.27Å; N378-N432 PolarHBondContact N-O 3.46Å; I382-N432 WeakPolarHBondContact CD1-OD1 3.49Å
433	Q	53.1	Low	53.5	Low	56 Å²	56	81.5 Å²	81.5	26%	0.262	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.2	-168.1	-175.1	175.2	57.2	0	0	111	C375 F376 N377 H431	C375-Q433 HydrophobicContact CB-CG 4.06Å; F376-Q433 WeakPolarHBondContact O-CA 3.03Å; N377-Q433 WeakPolarHBondContact OD1-CG 3.48Å; N377-Q433 PolarHBondContact OD1-NE2 3.49Å; H431-Q433 HydrophobicContact CB-CB 4.33Å; H431-Q433 PolarHBondContact O-N 2.84Å
434	Y	60.8	Low	53.7	Low	72 Å²	72	80.3 Å²	80.3	28%	0.282	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.1	175.3	-60	-90.2	0	0	0	109.1	C375 F376 N378 N427	C375-Y434 CarbonylContact C-O 3.51Å; C375-Y434 WeakPolarHBondContact CA-O 3.41Å; F376-Y434 WeakPolarHBondContact CD1-O 3.43Å; F376-Y434 AromaticContact CD2-CD2 3.82Å; F376-Y434 HydrophobicContact CD2-CD2 3.82Å; F376-Y434 HydrophobicContact CD2-CG 4.24Å; F376-Y434 VanDerWaalsContact CE2-CB 3.44Å; F376-Y434 AromaticContact CE2-CD2 3.44Å; F376-Y434 HydrophobicContact CE2-CD2 3.44Å; F376-Y434 VanDerWaalsContact CE2-CD2 3.44Å; F376-Y434 HydrophobicContact CE2-CE2 4.33Å; F376-Y434 AromaticContact CE2-CG 3.61Å; F376-Y434 HydrophobicContact CE2-CG 3.61Å; F376-Y434 HydrophobicContact CZ-CD2 4.14Å; F376-Y434 AromaticContact CZ-CG 3.82Å; F376-Y434 HydrophobicContact CZ-CG 3.82Å; F376-Y434 PolarHBondContact N-O 3Å; F376-Y434 PolarHBondContact O-N 2.83Å; N378-Y434 HydrophobicContact CB-CE2 4.32Å; N427-Y434 HydrophobicContact CB-CD1 4.38Å
435	C	58.7	Low	53.9	Low	19 Å²	19	73.5 Å²	73.5	13%	0.128	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.3	-179.5	-64.7	0	0	0	0	112.2	C375 I426	C375-C435 HydrophobicContact CB-CB 4.13Å; C375-C435 WeakPolarHBondContact CB-SG 3.39Å; C375-C435 WeakPolarHBondContact SG-CB 3.2Å; C375-C435 CovalentContact SG-SG 2.04Å; C375-C435 PolarHBondContact SG-SG 2.83Å; I426-C435 HydrophobicContact CB-CB 4.5Å; I426-C435 PolarHBondContact N-O 3.14Å; I426-C435 PolarHBondContact O-N 3.12Å
436	L	65.8	Low	54	Low	47 Å²	47	73.6 Å²	73.6	25%	0.246	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125	164.7	176.2	68	0	0	0	108.9	H373 I374 C423 L438	H373-L436 WeakPolarHBondContact CA-O 3.38Å; I374-L436 HydrophobicContact CB-CB 4.33Å; I374-L436 PolarHBondContact N-O 3.41Å; I374-L436 PolarHBondContact O-N 2.84Å; C423-L436 HydrophobicContact CB-CD1 4.32Å; L436-L438 HydrophobicContact CD2-CD1 4.32Å; L436-L438 HydrophobicContact CD2-CD2 4.44Å; L436-L438 HydrophobicContact CD2-CG 4.4Å; L436-L438 HydrophobicContact CG-CD2 4.47Å; L436-L438 HydrophobicContact CG-CG 4.27Å
437	M	64.4	Low	53.8	Low	60 Å²	60	75.3 Å²	75.3	30%	0.296	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.3	172.3	-81.5	-174.7	59.2	0	0	111.9	H373 Y424 I426	H373-M437 WeakPolarHBondContact CE1-CE 3.3Å; H373-M437 PolarHBondContact CE1-SD 2.68Å; H373-M437 WeakPolarHBondContact ND1-CG 3.02Å; Y424-M437 PolarHBondContact O-N 3.33Å; I426-M437 HydrophobicContact CD1-CG 4.24Å; I426-M437 HydrophobicContact CD1-SD 3.49Å; I426-M437 WeakPolarHBondContact CD1-SD 3.29Å
438	L	65	Low	54.1	Low	10 Å²	10	73.5 Å²	73.5	5%	0.052	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125	-178.1	-61	158.7	0	0	0	108.5	S371 I372 I374 L436 C448 I450	S371-L438 CarbonylContact C-O 3.51Å; S371-L438 WeakPolarHBondContact CA-O 3.31Å; S371-L438 WeakPolarHBondContact CB-O 3.34Å; I372-L438 HydrophobicContact CB-CB 4.25Å; I372-L438 HydrophobicContact CB-CD1 4.29Å; I372-L438 PolarHBondContact N-O 2.74Å; I372-L438 PolarHBondContact O-N 2.75Å; I374-L438 HydrophobicContact CD1-CD1 3.92Å; L436-L438 HydrophobicContact CD2-CD1 4.32Å; L436-L438 HydrophobicContact CD2-CD2 4.44Å; L436-L438 HydrophobicContact CD2-CG 4.4Å; L436-L438 HydrophobicContact CG-CD2 4.47Å; L436-L438 HydrophobicContact CG-CG 4.27Å; L438-C448 HydrophobicContact CD2-CB 4.27Å; L438-I450 HydrophobicContact CD1-CD1 3.52Å
439	N	63.5	Low	54.3	Low	57 Å²	57	71.5 Å²	71.5	31%	0.305	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.2	179.7	-168.4	-41.7	0	0	0	110.9	E370 Q441 F442	E370-N439 PolarHBondContact O-OD1 2.91Å; N439-Q441 WeakPolarHBondContact OD1-CB 3.07Å; N439-Q441 PolarHBondContact OD1-N 2.75Å; N439-F442 HydrophobicContact CB-CD2 4.14Å
440	I	62.6	Low	55.2	Low	27 Å²	27	66.8 Å²	66.8	14%	0.138	34%	0.336	C	S	.	.	S	Bend	trans	-84	-28.2	-176.6	-59.8	179.8	0	0	0	111.7	N368 E370 I372 F442 L445 F461 I488	N368-I440 VanDerWaalsContact O-CD1 3.31Å; N368-I440 WeakPolarHBondContact O-CD1 3.32Å; E370-I440 PolarHBondContact O-N 3.49Å; I372-I440 HydrophobicContact CD1-CD1 4.45Å; I372-I440 HydrophobicContact CG1-CD1 3.73Å; I372-I440 HydrophobicContact CG1-CG1 3.95Å; I440-F442 PolarHBondContact O-N 2.84Å; I440-L445 HydrophobicContact CB-CD1 4.31Å; I440-L445 HydrophobicContact CG1-CD1 4.32Å; I440-L445 HydrophobicContact CG1-CD2 4.45Å; I440-L445 HydrophobicContact CG2-CD1 4.07Å; I440-F461 HydrophobicContact CG2-CE1 4.42Å; I440-F461 HydrophobicContact CG2-CE2 4.43Å; I440-F461 HydrophobicContact CG2-CZ 3.95Å; I440-I488 HydrophobicContact CD1-CD1 3.36Å
441	Q	55.5	Low	56	Low	128 Å²	128	62 Å²	62	60%	0.598	31%	0.308	S	S	*	.	S	Bend	trans	-69	-14.4	-177.4	-64.3	-174.7	-10.7	0	0	113.4	E370 N439	E370-Q441 HydrophobicContact CB-CG 4.48Å; E370-Q441 PolarHBondContact OE1-NE2 3.5Å; N439-Q441 WeakPolarHBondContact OD1-CB 3.07Å; N439-Q441 PolarHBondContact OD1-N 2.75Å
442	F	48	Very low	56.7	Low	112 Å²	112	61.2 Å²	61.2	49%	0.491	30%	0.304	S	S	.	.	S	Bend	trans	-101.3	156.3	175.5	-68.4	-89.4	0	0	0	111.6	N439 I440 E444	N439-F442 HydrophobicContact CB-CD2 4.14Å; I440-F442 PolarHBondContact O-N 2.84Å; F442-E444 HydrophobicContact CB-CB 3.91Å; F442-E444 HydrophobicContact CB-CG 3.57Å; F442-E444 WeakPolarHBondContact CB-OE1 3.25Å; F442-E444 WeakPolarHBondContact CB-OE2 3.27Å; F442-E444 HydrophobicContact CG-CG 4.43Å; F442-E444 WeakPolarHBondContact CG-OE1 3.4Å; F442-E444 PolarHBondContact O-N 2.87Å
443	N	49.7	Very low	57	Low	135 Å²	135	60.9 Å²	60.9	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	20.7	167.8	-95.4	-68.3	0	0	0	113.6
444	E	46.2	Very low	57	Low	24 Å²	24	60.4 Å²	60.4	11%	0.112	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-30.4	-171.8	-81	163	-162.6	0	0	113.3	K422 F442 K446 Q447	K422-E444 HydrophobicContact CB-CG 4.05Å; K422-E444 HydrophobicContact CD-CG 3.83Å; K422-E444 HydrophobicContact CG-CG 3.93Å; K422-E444 WeakPolarHBondContact CG-OE1 3.42Å; K422-E444 IonicContact NZ-OE1 3.46Å; K422-E444 PolarHBondContact NZ-OE1 2.93Å; F442-E444 HydrophobicContact CB-CB 3.91Å; F442-E444 HydrophobicContact CB-CG 3.57Å; F442-E444 WeakPolarHBondContact CB-OE1 3.25Å; F442-E444 WeakPolarHBondContact CB-OE2 3.27Å; F442-E444 HydrophobicContact CG-CG 4.43Å; F442-E444 WeakPolarHBondContact CG-OE1 3.4Å; F442-E444 PolarHBondContact O-N 2.87Å; E444-K446 PolarHBondContact O-N 2.89Å; E444-K446 VanDerWaalsContact O-N 3.16Å; E444-Q447 WeakPolarHBondContact O-CB 3.37Å; E444-Q447 PolarHBondContact O-N 3.32Å
445	L	49.4	Very low	56.7	Low	14 Å²	14	58.4 Å²	58.4	7%	0.073	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.6	-38.9	177.1	-64.5	169.8	0	0	0	112.2	I372 I440 Q447 C448 I450 F461	I372-L445 HydrophobicContact CD1-CD2 4.01Å; I440-L445 HydrophobicContact CB-CD1 4.31Å; I440-L445 HydrophobicContact CG1-CD1 4.32Å; I440-L445 HydrophobicContact CG1-CD2 4.45Å; I440-L445 HydrophobicContact CG2-CD1 4.07Å; L445-Q447 PolarHBondContact O-N 2.74Å; L445-Q447 VanDerWaalsContact O-N 3.16Å; L445-C448 PolarHBondContact O-N 2.97Å; L445-C448 VanDerWaalsContact O-N 3.14Å; L445-I450 HydrophobicContact CB-CB 4.34Å; L445-I450 HydrophobicContact CB-CG2 4.4Å; L445-I450 HydrophobicContact CD2-CD1 4.2Å; L445-I450 HydrophobicContact CD2-CG2 4.26Å; L445-I450 PolarHBondContact O-N 2.9Å; L445-F461 HydrophobicContact CD1-CD1 3.59Å; L445-F461 HydrophobicContact CD1-CE1 3.41Å; L445-F461 VanDerWaalsContact CD1-CE1 3.41Å; L445-F461 HydrophobicContact CD1-CZ 4.33Å
446	K	49.4	Very low	56.2	Low	114 Å²	114	61.1 Å²	61.1	50%	0.496	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-65.1	-14.9	176.7	-66.3	178.8	-179.1	169.1	0	114.5	E444	E444-K446 PolarHBondContact O-N 2.89Å; E444-K446 VanDerWaalsContact O-N 3.16Å
447	Q	49	Very low	55.8	Low	116 Å²	116	64.2 Å²	64.2	54%	0.542	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-90.7	-16	177.6	-57.7	-168.3	-73.4	0	0	112.6	E444 L445	E444-Q447 WeakPolarHBondContact O-CB 3.37Å; E444-Q447 PolarHBondContact O-N 3.32Å; L445-Q447 PolarHBondContact O-N 2.74Å; L445-Q447 VanDerWaalsContact O-N 3.16Å
448	C	53.3	Low	55.4	Low	53 Å²	53	61.5 Å²	61.5	36%	0.358	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	13	-179	-56	0	0	0	0	113.2	L438 L445 I450	L438-C448 HydrophobicContact CD2-CB 4.27Å; L445-C448 PolarHBondContact O-N 2.97Å; L445-C448 VanDerWaalsContact O-N 3.14Å; C448-I450 HydrophobicContact CB-CD1 4.2Å; C448-I450 HydrophobicContact CB-CG1 4.22Å; C448-I450 PolarHBondContact O-N 3.34Å
449	G	56.4	Low	55.3	Low	24 Å²	24	62 Å²	62	25%	0.247	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	8.3	-173.5	0	0	0	0	0	114.9	S564	G449-S564 WeakPolarHBondContact CA-OG 3.43Å
450	I	61.1	Low	55.2	Low	10 Å²	10	59.7 Å²	59.7	5%	0.051	29%	0.292	C	S	.	.			trans	-82.2	128.8	179.3	-60.3	174	0	0	0	109.1	L438 L445 C448 F461 Y462 F484	L438-I450 HydrophobicContact CD1-CD1 3.52Å; L445-I450 HydrophobicContact CB-CB 4.34Å; L445-I450 HydrophobicContact CB-CG2 4.4Å; L445-I450 HydrophobicContact CD2-CD1 4.2Å; L445-I450 HydrophobicContact CD2-CG2 4.26Å; L445-I450 PolarHBondContact O-N 2.9Å; C448-I450 HydrophobicContact CB-CD1 4.2Å; C448-I450 HydrophobicContact CB-CG1 4.22Å; C448-I450 PolarHBondContact O-N 3.34Å; I450-F461 HydrophobicContact CG2-CB 4.03Å; I450-F461 HydrophobicContact CG2-CD1 4.5Å; I450-Y462 CarbonylContact C-O 3.53Å; I450-Y462 VanDerWaalsContact CA-O 3.26Å; I450-Y462 WeakPolarHBondContact CA-O 3.4Å; I450-Y462 WeakPolarHBondContact CG2-O 3.49Å; I450-F484 HydrophobicContact CD1-CE2 4.33Å; I450-F484 HydrophobicContact CD1-CZ 4.01Å; I450-F484 HydrophobicContact CG1-CZ 4.16Å
451	Y	61	Low	55.4	Low	38 Å²	38	58.8 Å²	58.8	15%	0.149	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.9	177.4	66.7	-85.3	0	0	0	111.6	I453 F461 Y462 P684 I686	Y451-I453 HydrophobicContact CD2-CG1 4.09Å; Y451-I453 HydrophobicContact CE2-CD1 4Å; Y451-I453 HydrophobicContact CE2-CG1 3.99Å; Y451-F461 WeakPolarHBondContact O-CA 3.08Å; Y451-Y462 WeakPolarHBondContact CD1-O 3.09Å; Y451-Y462 HydrophobicContact CD2-CD2 4.41Å; Y451-Y462 HydrophobicContact CE1-CG 4.36Å; Y451-Y462 AromaticContact CE2-CD2 3.76Å; Y451-Y462 HydrophobicContact CE2-CD2 3.76Å; Y451-Y462 AromaticContact CE2-CG 3.81Å; Y451-Y462 HydrophobicContact CE2-CG 3.81Å; Y451-Y462 AromaticContact CZ-CG 3.67Å; Y451-Y462 PolarHBondContact N-O 2.78Å; Y451-Y462 PolarHBondContact O-N 2.87Å; Y451-Y462 WeakPolarHBondContact OH-CB 3.4Å; Y451-P684 HydrophobicContact CD2-CG 4.43Å; Y451-P684 HydrophobicContact CG-CG 4.25Å; Y451-I686 HydrophobicContact CE1-CD1 3.72Å; Y451-I686 HydrophobicContact CE1-CG1 4.21Å
452	E	63.8	Low	55.7	Low	99 Å²	99	55.9 Å²	55.9	46%	0.463	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.4	-173.7	179.6	-174.3	174.9	0	0	109.4	N454 F461	E452-N454 WeakPolarHBondContact CG-OD1 3.48Å; E452-N454 VanDerWaalsContact OE1-CG 3.29Å; E452-N454 PolarHBondContact OE1-ND2 2.97Å; E452-N454 PolarHBondContact OE1-OD1 3.36Å; E452-F461 HydrophobicContact CB-CD1 3.91Å; E452-F461 HydrophobicContact CB-CE1 3.77Å; E452-F461 HydrophobicContact CG-CD1 4.03Å; E452-F461 HydrophobicContact CG-CE1 3.5Å; E452-F461 HydrophobicContact CG-CZ 3.93Å
453	I	61.3	Low	56.3	Low	63 Å²	63	50.7 Å²	50.7	32%	0.323	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	103.7	166.9	-56.7	-169.6	0	0	0	108.2	Y451 V460 Y462	Y451-I453 HydrophobicContact CD2-CG1 4.09Å; Y451-I453 HydrophobicContact CE2-CD1 4Å; Y451-I453 HydrophobicContact CE2-CG1 3.99Å; I453-V460 HydrophobicContact CB-CB 4.5Å; I453-V460 PolarHBondContact N-O 3.48Å; I453-V460 PolarHBondContact O-N 2.75Å; I453-Y462 HydrophobicContact CB-CD2 4.49Å; I453-Y462 HydrophobicContact CB-CE2 4.24Å; I453-Y462 HydrophobicContact CD1-CD2 3.97Å; I453-Y462 HydrophobicContact CD1-CE2 3.65Å; I453-Y462 HydrophobicContact CG1-CD2 3.97Å; I453-Y462 HydrophobicContact CG1-CE2 3.97Å
454	N	53.4	Low	56.7	Low	46 Å²	46	46 Å²	46	25%	0.246	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	144.3	173	-70.5	-25.9	0	0	0	111.6	E452 S459 F716	E452-N454 WeakPolarHBondContact CG-OD1 3.48Å; E452-N454 VanDerWaalsContact OE1-CG 3.29Å; E452-N454 PolarHBondContact OE1-ND2 2.97Å; E452-N454 PolarHBondContact OE1-OD1 3.36Å; N454-S459 VanDerWaalsContact OD1-CA 3.32Å; N454-S459 WeakPolarHBondContact OD1-CA 3.3Å; N454-S459 WeakPolarHBondContact OD1-CB 3.42Å; N454-S459 PolarHBondContact OD1-OG 3.18Å; N454-F716 HydrophobicContact CB-CD1 3.62Å; N454-F716 HydrophobicContact CB-CE1 3.5Å; N454-F716 VanDerWaalsContact CB-CE1 3.5Å; N454-F716 HydrophobicContact CB-CZ 4.46Å; N454-F716 WeakPolarHBondContact O-CE1 3.33Å; N454-F716 WeakPolarHBondContact O-CZ 3.47Å
455	Y	54.1	Low	57.2	Low	30 Å²	30	47 Å²	47	12%	0.118	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	175.6	175.6	67.8	-77.5	0	0	0	109.3	Y457 G458 V460 N489 F710	Y455-Y457 PolarHBondContact O-N 2.77Å; Y455-Y457 VanDerWaalsContact O-N 3.12Å; Y455-G458 CarbonylContact C-O 3.53Å; Y455-G458 VanDerWaalsContact CD1-C 3.4Å; Y455-G458 WeakPolarHBondContact CD1-O 3.48Å; Y455-G458 WeakPolarHBondContact CE1-O 3.27Å; Y455-G458 PolarHBondContact N-O 3.45Å; Y455-G458 PolarHBondContact O-N 2.81Å; Y455-V460 HydrophobicContact CD1-CG2 3.66Å; Y455-V460 HydrophobicContact CE1-CG2 3.43Å; Y455-V460 VanDerWaalsContact CE1-CG2 3.43Å; Y455-N489 PolarHBondContact OH-OD1 2.83Å; Y455-F710 HydrophobicContact CD2-CE1 4.11Å; Y455-F710 HydrophobicContact CD2-CE2 4.14Å; Y455-F710 AromaticContact CD2-CZ 3.47Å; Y455-F710 HydrophobicContact CD2-CZ 3.47Å; Y455-F710 VanDerWaalsContact CD2-CZ 3.47Å; Y455-F710 HydrophobicContact CE2-CE1 4.32Å; Y455-F710 AromaticContact CE2-CZ 3.66Å; Y455-F710 HydrophobicContact CE2-CZ 3.66Å
456	K	48.2	Very low	57.5	Low	77 Å²	77	49.2 Å²	49.2	34%	0.335	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35	-166.7	-175.3	-178.9	179	-165.6	0	114.5	N712 L713 I714	K456-N712 WeakPolarHBondContact CD-O 3.5Å; K456-N712 WeakPolarHBondContact CE-O 3.42Å; K456-N712 PolarHBondContact NZ-O 3.32Å; K456-L713 WeakPolarHBondContact CD-O 3.27Å; K456-L713 WeakPolarHBondContact CE-O 3.31Å; K456-L713 WeakPolarHBondContact CG-O 3.45Å; K456-I714 HydrophobicContact CB-CB 4.18Å; K456-I714 HydrophobicContact CB-CG1 3.98Å; K456-I714 HydrophobicContact CB-CG2 4.19Å
457	Y	56.3	Low	57.5	Low	111 Å²	111	45.6 Å²	45.6	44%	0.435	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	2.8	-171	-58.3	-78.7	0	0	0	112.2	Y455 N489 V490 F710	Y455-Y457 PolarHBondContact O-N 2.77Å; Y455-Y457 VanDerWaalsContact O-N 3.12Å; Y457-N489 CarbonylContact O-C 3.54Å; Y457-N489 VanDerWaalsContact O-CA 3.26Å; Y457-N489 WeakPolarHBondContact O-CA 3.43Å; Y457-V490 PolarHBondContact O-N 2.87Å; Y457-F710 HydrophobicContact CD2-CD1 4.17Å; Y457-F710 AromaticContact CD2-CE1 3.67Å; Y457-F710 HydrophobicContact CD2-CE1 3.67Å; Y457-F710 HydrophobicContact CE2-CD1 4.13Å; Y457-F710 HydrophobicContact CE2-CE1 4.08Å
458	G	57	Low	57.2	Low	4 Å²	4	44.5 Å²	44.5	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-171	-172.9	0	0	0	0	0	116.4	Y455 I488	Y455-G458 CarbonylContact C-O 3.53Å; Y455-G458 VanDerWaalsContact CD1-C 3.4Å; Y455-G458 WeakPolarHBondContact CD1-O 3.48Å; Y455-G458 WeakPolarHBondContact CE1-O 3.27Å; Y455-G458 PolarHBondContact N-O 3.45Å; Y455-G458 PolarHBondContact O-N 2.81Å; G458-I488 CarbonylContact C-O 3.47Å; G458-I488 WeakPolarHBondContact CA-O 3.34Å
459	S	61.4	Low	56.8	Low	19 Å²	19	46.2 Å²	46.2	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.8	174.3	-58.8	0	0	0	0	109.5	N454 F461 I488	N454-S459 VanDerWaalsContact OD1-CA 3.32Å; N454-S459 WeakPolarHBondContact OD1-CA 3.3Å; N454-S459 WeakPolarHBondContact OD1-CB 3.42Å; N454-S459 PolarHBondContact OD1-OG 3.18Å; S459-F461 VanDerWaalsContact CB-CE2 3.41Å; S459-I488 PolarHBondContact N-O 2.84Å; S459-I488 PolarHBondContact O-N 3.43Å
460	V	63.2	Low	56	Low	9 Å²	9	48.3 Å²	48.3	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.1	168	-165.7	0	0	0	0	109.3	I453 Y455 Y462 A485 C486	I453-V460 HydrophobicContact CB-CB 4.5Å; I453-V460 PolarHBondContact N-O 3.48Å; I453-V460 PolarHBondContact O-N 2.75Å; Y455-V460 HydrophobicContact CD1-CG2 3.66Å; Y455-V460 HydrophobicContact CE1-CG2 3.43Å; Y455-V460 VanDerWaalsContact CE1-CG2 3.43Å; V460-Y462 HydrophobicContact CB-CD2 4.22Å; V460-Y462 HydrophobicContact CB-CE2 3.71Å; V460-Y462 HydrophobicContact CG1-CD2 3.81Å; V460-Y462 HydrophobicContact CG1-CE1 4.47Å; V460-Y462 HydrophobicContact CG1-CE2 3.29Å; V460-A485 HydrophobicContact CG1-CB 3.93Å; V460-C486 CarbonylContact C-O 3.37Å; V460-C486 VanDerWaalsContact CA-O 3.25Å; V460-C486 WeakPolarHBondContact CA-O 3.33Å
461	F	65.6	Low	54.8	Low	8 Å²	8	57 Å²	57	4%	0.035	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.1	175.8	-60.6	-85.5	0	0	0	109.2	I372 I440 L445 I450 Y451 E452 S459 A485 C486 I488	I372-F461 HydrophobicContact CD1-CB 3.91Å; I372-F461 HydrophobicContact CD1-CG 4.33Å; I440-F461 HydrophobicContact CG2-CE1 4.42Å; I440-F461 HydrophobicContact CG2-CE2 4.43Å; I440-F461 HydrophobicContact CG2-CZ 3.95Å; L445-F461 HydrophobicContact CD1-CD1 3.59Å; L445-F461 HydrophobicContact CD1-CE1 3.41Å; L445-F461 VanDerWaalsContact CD1-CE1 3.41Å; L445-F461 HydrophobicContact CD1-CZ 4.33Å; I450-F461 HydrophobicContact CG2-CB 4.03Å; I450-F461 HydrophobicContact CG2-CD1 4.5Å; Y451-F461 WeakPolarHBondContact O-CA 3.08Å; E452-F461 HydrophobicContact CB-CD1 3.91Å; E452-F461 HydrophobicContact CB-CE1 3.77Å; E452-F461 HydrophobicContact CG-CD1 4.03Å; E452-F461 HydrophobicContact CG-CE1 3.5Å; E452-F461 HydrophobicContact CG-CZ 3.93Å; S459-F461 VanDerWaalsContact CB-CE2 3.41Å; F461-A485 CarbonylContact O-C 3.46Å; F461-A485 WeakPolarHBondContact O-CA 3.33Å; F461-C486 HydrophobicContact CB-CB 4.21Å; F461-C486 PolarHBondContact N-O 2.98Å; F461-C486 PolarHBondContact O-N 2.98Å; F461-I488 HydrophobicContact CD2-CD1 3.98Å; F461-I488 HydrophobicContact CD2-CG1 4.16Å; F461-I488 HydrophobicContact CE2-CB 4.41Å; F461-I488 HydrophobicContact CE2-CD1 3.62Å; F461-I488 HydrophobicContact CE2-CG1 3.99Å
462	Y	63.1	Low	53.4	Low	67 Å²	67	60.3 Å²	60.3	26%	0.263	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.6	178.5	-74.7	-89.8	0	0	0	110.8	I450 Y451 I453 V460 F484 A485	I450-Y462 CarbonylContact C-O 3.53Å; I450-Y462 VanDerWaalsContact CA-O 3.26Å; I450-Y462 WeakPolarHBondContact CA-O 3.4Å; I450-Y462 WeakPolarHBondContact CG2-O 3.49Å; Y451-Y462 WeakPolarHBondContact CD1-O 3.09Å; Y451-Y462 HydrophobicContact CD2-CD2 4.41Å; Y451-Y462 HydrophobicContact CE1-CG 4.36Å; Y451-Y462 AromaticContact CE2-CD2 3.76Å; Y451-Y462 HydrophobicContact CE2-CD2 3.76Å; Y451-Y462 AromaticContact CE2-CG 3.81Å; Y451-Y462 HydrophobicContact CE2-CG 3.81Å; Y451-Y462 AromaticContact CZ-CG 3.67Å; Y451-Y462 PolarHBondContact N-O 2.78Å; Y451-Y462 PolarHBondContact O-N 2.87Å; Y451-Y462 WeakPolarHBondContact OH-CB 3.4Å; I453-Y462 HydrophobicContact CB-CD2 4.49Å; I453-Y462 HydrophobicContact CB-CE2 4.24Å; I453-Y462 HydrophobicContact CD1-CD2 3.97Å; I453-Y462 HydrophobicContact CD1-CE2 3.65Å; I453-Y462 HydrophobicContact CG1-CD2 3.97Å; I453-Y462 HydrophobicContact CG1-CE2 3.97Å; V460-Y462 HydrophobicContact CB-CD2 4.22Å; V460-Y462 HydrophobicContact CB-CE2 3.71Å; V460-Y462 HydrophobicContact CG1-CD2 3.81Å; V460-Y462 HydrophobicContact CG1-CE1 4.47Å; V460-Y462 HydrophobicContact CG1-CE2 3.29Å; Y462-F484 WeakPolarHBondContact CA-O 3.22Å; Y462-A485 HydrophobicContact CD1-CB 3.78Å; Y462-A485 HydrophobicContact CE1-CB 3.59Å; Y462-A485 HydrophobicContact CG-CB 4.43Å
463	G	60.1	Low	51.9	Low	3 Å²	3	64.2 Å²	64.2	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	171.7	170.1	0	0	0	0	0	111.2	F484	G463-F484 VanDerWaalsContact C-CE1 3.43Å; G463-F484 PolarHBondContact N-O 3.08Å; G463-F484 VanDerWaalsContact N-O 3.08Å; G463-F484 VanDerWaalsContact O-CD1 3.26Å; G463-F484 WeakPolarHBondContact O-CD1 3.45Å; G463-F484 PolarHBondContact O-N 2.84Å
464	T	56.9	Low	50.4	Low	36 Å²	36	65.9 Å²	65.9	22%	0.221	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.3	176.5	-52.1	0	0	0	0	108	H481 D483 Y643	T464-H481 HydrophobicContact CG2-CB 4.33Å; T464-D483 WeakPolarHBondContact CB-OD1 3.39Å; T464-D483 VanDerWaalsContact CG2-OD1 3.23Å; T464-D483 WeakPolarHBondContact CG2-OD1 3.26Å; T464-D483 PolarHBondContact OG1-OD1 3.29Å; T464-Y643 PolarHBondContact OG1-OH 3.1Å
465	L	58.1	Low	49.3	Very low	47 Å²	47	69.7 Å²	69.7	25%	0.246	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.3	168.5	-171.3	79.1	0	0	0	108.6	L363 I482	L363-L465 HydrophobicContact CD1-CD2 3.64Å; L363-L465 HydrophobicContact CD2-CD2 3.99Å; L363-L465 HydrophobicContact CG-CD2 4.49Å; L465-I482 HydrophobicContact CB-CB 4.3Å; L465-I482 HydrophobicContact CD2-CD1 4.42Å; L465-I482 PolarHBondContact N-O 2.94Å; L465-I482 PolarHBondContact O-N 3.16Å
466	H	54.7	Low	48.3	Very low	59 Å²	59	75.5 Å²	75.5	27%	0.273	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.3	173	-176.1	-123.3	0	0	0	109.7	E468 N479 H481	H466-E468 IonicContact CE1-OE2 2.69Å; H466-E468 IonicContact ND1-OE2 2.85Å; H466-N479 PolarHBondContact NE2-ND2 2.81Å; H466-H481 AromaticContact CD2-CD2 3.99Å; H466-H481 AromaticContact CD2-CE1 3.22Å; H466-H481 PolarHBondContact CD2-CE1 2.82Å; H466-H481 AromaticContact CD2-ND1 3.68Å; H466-H481 AromaticContact CD2-NE2 3.43Å; H466-H481 PolarHBondContact CD2-NE2 3.27Å; H466-H481 AromaticContact NE2-CE1 3.73Å; H466-H481 AromaticContact NE2-NE2 3.63Å
467	A	49.6	Very low	47.5	Very low	39 Å²	39	77.3 Å²	77.3	32%	0.322	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	105.4	170.4	0	0	0	0	0	109.3	I480	A467-I480 HydrophobicContact CB-CB 4.27Å; A467-I480 PolarHBondContact N-O 3.04Å; A467-I480 PolarHBondContact O-N 3.19Å
468	E	43.8	Very low	46.8	Very low	93 Å²	93	80.9 Å²	80.9	44%	0.435	43%	0.429	S	S	.	.			trans	-95.7	128	178	-167.9	172.3	168.6	0	0	110.1	H466 T470	H466-E468 IonicContact CE1-OE2 2.69Å; H466-E468 IonicContact ND1-OE2 2.85Å; E468-T470 HydrophobicContact CG-CG2 4.09Å
469	I	43.1	Very low	46.2	Very low	89 Å²	89	83.1 Å²	83.1	46%	0.456	44%	0.44	S	S	.	.			trans	-101.9	99.5	-179.4	-58.6	171.2	0	0	0	108.3	Q471 L477	I469-Q471 PolarHBondContact O-N 2.87Å; I469-L477 HydrophobicContact CD1-CB 3.96Å
470	T	41.3	Very low	45.5	Very low	68 Å²	68	86.6 Å²	86.6	42%	0.417	46%	0.456	S	S	.	.			trans	-90.8	88.9	-171.2	53.1	0	0	0	0	113.5	Y399 E468	Y399-T470 PolarHBondContact O-OG1 3.18Å; Y399-T470 VanDerWaalsContact O-OG1 3.07Å; E468-T470 HydrophobicContact CG-CG2 4.09Å
471	Q	34.8	Very low	44.9	Very low	191 Å²	191	88.9 Å²	88.9	89%	0.893	47%	0.466	S	S	*	.			trans	57.4	142.2	155.2	-71.4	178.7	-14	0	0	118.3	I469	I469-Q471 PolarHBondContact O-N 2.87Å
472	S	32.6	Very low	44.4	Very low	109 Å²	109	91.1 Å²	91.1	76%	0.762	48%	0.478	S	S	*	.	S	Bend		-146.1	-11	51.4	52.3	0	0	0	0	118.8
473	E	31.8	Very low	44.1	Very low	181 Å²	181	91.2 Å²	91.2	85%	0.846	48%	0.483	S	S	*	.	S	Bend	trans	-126.2	-5.2	-167.5	-65.9	-170.9	160.3	0	0	116.8
474	V	29.9	Very low	44	Very low	97 Å²	97	91.7 Å²	91.7	59%	0.588	48%	0.484	S	S	*	.			trans	-124.4	94.5	-176.6	-174.7	0	0	0	0	111.6	L476 L477	V474-L476 HydrophobicContact CG1-CB 4.08Å; V474-L476 PolarHBondContact O-N 2.6Å; V474-L477 HydrophobicContact CG1-CD1 4.38Å; V474-L477 HydrophobicContact CG1-CG 4.46Å
475	S	28.9	Very low	44.3	Very low	127 Å²	127	91.2 Å²	91.2	89%	0.888	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	12.5	178.6	47.6	0	0	0	0	115.2
476	L	33.3	Very low	44.5	Very low	152 Å²	152	89.2 Å²	89.2	80%	0.796	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-12	-172.6	-79.6	158.5	0	0	0	114.7	V474	V474-L476 HydrophobicContact CG1-CB 4.08Å; V474-L476 PolarHBondContact O-N 2.6Å
477	L	33	Very low	45.1	Very low	115 Å²	115	90.3 Å²	90.3	60%	0.602	48%	0.478	S	S	*	.			trans	-92.7	114.1	179.9	-73	165.5	0	0	0	110.7	I469 V474	I469-L477 HydrophobicContact CD1-CB 3.96Å; V474-L477 HydrophobicContact CG1-CD1 4.38Å; V474-L477 HydrophobicContact CG1-CG 4.46Å
478	R	41.6	Very low	45.8	Very low	185 Å²	185	89.2 Å²	89.2	70%	0.698	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-77.7	144.4	179.1	-62.8	179.7	178.3	-170.6	-3.7	110.7	I480 N692	R478-I480 PolarHBondContact O-N 3.48Å; R478-N692 PolarHBondContact NH1-ND2 2.96Å
479	N	44.1	Very low	46.5	Very low	51 Å²	51	89.6 Å²	89.6	27%	0.273	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-53.9	131.5	168.1	-73.4	-2.1	0	0	0	110.1	H466	H466-N479 PolarHBondContact NE2-ND2 2.81Å
480	I	46.2	Very low	46.9	Very low	92 Å²	92	89.4 Å²	89.4	47%	0.472	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.7	-176.5	-51.8	178	0	0	0	108.2	A467 R478 I482	A467-I480 HydrophobicContact CB-CB 4.27Å; A467-I480 PolarHBondContact N-O 3.04Å; A467-I480 PolarHBondContact O-N 3.19Å; R478-I480 PolarHBondContact O-N 3.48Å; I480-I482 HydrophobicContact CG2-CD1 4.17Å; I480-I482 HydrophobicContact CG2-CG1 3.77Å
481	H	51.4	Low	46.7	Very low	57 Å²	57	90.9 Å²	90.9	26%	0.264	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.8	170.6	-68.3	-100.5	0	0	0	108.2	T464 H466 L638 Y639	T464-H481 HydrophobicContact CG2-CB 4.33Å; H466-H481 AromaticContact CD2-CD2 3.99Å; H466-H481 AromaticContact CD2-CE1 3.22Å; H466-H481 PolarHBondContact CD2-CE1 2.82Å; H466-H481 AromaticContact CD2-ND1 3.68Å; H466-H481 AromaticContact CD2-NE2 3.43Å; H466-H481 PolarHBondContact CD2-NE2 3.27Å; H466-H481 AromaticContact NE2-CE1 3.73Å; H466-H481 AromaticContact NE2-NE2 3.63Å; H481-L638 PolarHBondContact NE2-O 3.34Å; H481-Y639 AromaticContact CE1-CD1 3.96Å
482	I	54.2	Low	46.6	Very low	56 Å²	56	89.5 Å²	89.5	29%	0.287	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	101.9	177.7	-47.6	179	0	0	0	108.6	L363 L465 I480	L363-I482 HydrophobicContact CB-CD1 4.46Å; L363-I482 HydrophobicContact CD2-CB 4.25Å; L363-I482 HydrophobicContact CD2-CD1 4.12Å; L363-I482 HydrophobicContact CD2-CG2 3.75Å; L465-I482 HydrophobicContact CB-CB 4.3Å; L465-I482 HydrophobicContact CD2-CD1 4.42Å; L465-I482 PolarHBondContact N-O 2.94Å; L465-I482 PolarHBondContact O-N 3.16Å; I480-I482 HydrophobicContact CG2-CD1 4.17Å; I480-I482 HydrophobicContact CG2-CG1 3.77Å
483	D	57.7	Low	46.5	Very low	68 Å²	68	92.5 Å²	92.5	36%	0.364	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	139.3	171.1	-70.1	-33.3	0	0	0	110.5	T464	T464-D483 WeakPolarHBondContact CB-OD1 3.39Å; T464-D483 VanDerWaalsContact CG2-OD1 3.23Å; T464-D483 WeakPolarHBondContact CG2-OD1 3.26Å; T464-D483 PolarHBondContact OG1-OD1 3.29Å
484	F	57.5	Low	46.3	Very low	14 Å²	14	91.7 Å²	91.7	6%	0.061	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151	176.7	64.8	-93.7	0	0	0	112.5	I365 I374 I450 Y462 G463	I365-F484 HydrophobicContact CD1-CB 3.32Å; I365-F484 HydrophobicContact CD1-CD1 4.37Å; I365-F484 HydrophobicContact CD1-CD2 4.5Å; I365-F484 HydrophobicContact CD1-CG 3.86Å; I374-F484 HydrophobicContact CD1-CD1 4.42Å; I374-F484 HydrophobicContact CD1-CE1 3.79Å; I374-F484 HydrophobicContact CD1-CE2 4.01Å; I374-F484 HydrophobicContact CD1-CZ 3.55Å; I450-F484 HydrophobicContact CD1-CE2 4.33Å; I450-F484 HydrophobicContact CD1-CZ 4.01Å; I450-F484 HydrophobicContact CG1-CZ 4.16Å; Y462-F484 WeakPolarHBondContact CA-O 3.22Å; G463-F484 VanDerWaalsContact C-CE1 3.43Å; G463-F484 PolarHBondContact N-O 3.08Å; G463-F484 VanDerWaalsContact N-O 3.08Å; G463-F484 VanDerWaalsContact O-CD1 3.26Å; G463-F484 WeakPolarHBondContact O-CD1 3.45Å; G463-F484 PolarHBondContact O-N 2.84Å
485	A	62.9	Low	46.1	Very low	26 Å²	26	90.1 Å²	90.1	22%	0.215	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.1	172.2	0	0	0	0	0	110.1	V460 F461 Y462 F705	V460-A485 HydrophobicContact CG1-CB 3.93Å; F461-A485 CarbonylContact O-C 3.46Å; F461-A485 WeakPolarHBondContact O-CA 3.33Å; Y462-A485 HydrophobicContact CD1-CB 3.78Å; Y462-A485 HydrophobicContact CE1-CB 3.59Å; Y462-A485 HydrophobicContact CG-CB 4.43Å; A485-F705 HydrophobicContact CB-CE1 3.86Å; A485-F705 HydrophobicContact CB-CZ 4.19Å
486	C	61.9	Low	45.9	Very low	4 Å²	4	89.4 Å²	89.4	3%	0.027	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.1	173.3	156.2	0	0	0	0	109.2	C367 I372 V460 F461	C367-C486 HydrophobicContact CB-CB 3.85Å; C367-C486 WeakPolarHBondContact CB-SG 3.33Å; C367-C486 WeakPolarHBondContact SG-CB 3.12Å; C367-C486 CovalentContact SG-SG 2.02Å; C367-C486 PolarHBondContact SG-SG 2.86Å; I372-C486 HydrophobicContact CD1-CB 4.38Å; V460-C486 CarbonylContact C-O 3.37Å; V460-C486 VanDerWaalsContact CA-O 3.25Å; V460-C486 WeakPolarHBondContact CA-O 3.33Å; F461-C486 HydrophobicContact CB-CB 4.21Å; F461-C486 PolarHBondContact N-O 2.98Å; F461-C486 PolarHBondContact O-N 2.98Å
487	H	67.5	Low	45.5	Very low	82 Å²	82	89.5 Å²	89.5	38%	0.38	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.4	177.5	-67.2	-109.4	0	0	0	110.5
488	I	63.8	Low	45.1	Very low	17 Å²	17	92.9 Å²	92.9	9%	0.087	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113	176.9	-57.1	-166.4	0	0	0	109.1	N368 Q369 I440 G458 S459 F461	N368-I488 WeakPolarHBondContact O-CD1 3.31Å; Q369-I488 HydrophobicContact CG-CG2 3.9Å; I440-I488 HydrophobicContact CD1-CD1 3.36Å; G458-I488 CarbonylContact C-O 3.47Å; G458-I488 WeakPolarHBondContact CA-O 3.34Å; S459-I488 PolarHBondContact N-O 2.84Å; S459-I488 PolarHBondContact O-N 3.43Å; F461-I488 HydrophobicContact CD2-CD1 3.98Å; F461-I488 HydrophobicContact CD2-CG1 4.16Å; F461-I488 HydrophobicContact CE2-CB 4.41Å; F461-I488 HydrophobicContact CE2-CD1 3.62Å; F461-I488 HydrophobicContact CE2-CG1 3.99Å
489	N	60.2	Low	44.2	Very low	101 Å²	101	89.1 Å²	89.1	54%	0.54	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.4	175.1	-72	-20.8	0	0	0	111.3	Y455 Y457 S491	Y455-N489 PolarHBondContact OH-OD1 2.83Å; Y457-N489 CarbonylContact O-C 3.54Å; Y457-N489 VanDerWaalsContact O-CA 3.26Å; Y457-N489 WeakPolarHBondContact O-CA 3.43Å; N489-S491 PolarHBondContact O-N 2.64Å
490	V	50.9	Low	43.2	Very low	84 Å²	84	93.6 Å²	93.6	51%	0.509	54%	0.538	S	S	.	.			trans	-91.5	92.7	172.5	179.8	0	0	0	0	108.9	Y457 H492	Y457-V490 PolarHBondContact O-N 2.87Å; V490-H492 PolarHBondContact O-N 2.85Å; V490-H492 VanDerWaalsContact O-N 3.14Å
491	S	36	Very low	42	Very low	99 Å²	99	94.6 Å²	94.6	69%	0.692	55%	0.553	S	S	*	*			trans	-79.3	86.8	175.8	41.1	0	0	0	0	111.8	N489	N489-S491 PolarHBondContact O-N 2.64Å
492	H	33.9	Very low	40.7	Very low	163 Å²	163	102.3 Å²	102.3	76%	0.755	58%	0.582	S	S	*	*			trans	-119.4	99	166.8	-82.5	-46.6	0	0	0	111.8	V490	V490-H492 PolarHBondContact O-N 2.85Å; V490-H492 VanDerWaalsContact O-N 3.14Å
493	L	30.8	Very low	39.1	Very low	172 Å²	172	107.8 Å²	107.8	90%	0.901	60%	0.604	S	S	*	*				-173.1	140.6	125.4	-97.3	161.5	0	0	0	110.3
494	N	27.7	Very low	37.5	Very low	163 Å²	163	113.9 Å²	113.9	87%	0.872	62%	0.623	S	S	*	*			trans	-69.9	148.3	-166.5	-58	-38.3	0	0	0	114.4
495	G	25	Very low	35.9	Very low	65 Å²	65	120 Å²	120	67%	0.67	66%	0.656	S	S	*	*			trans	118.4	108.5	142.6	0	0	0	0	0	117.4
496	S	24.7	Very low	34	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	69%	0.69	S	S	*	*	S	Bend	trans	56.1	125.5	152	53.9	0	0	0	0	120.6
497	N	25.2	Very low	32.1	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	72%	0.723	S	S	*	*			trans	65.1	88	156.4	-59.1	-4.9	0	0	0	117.2	S499	N497-S499 PolarHBondContact O-N 3.03Å
498	L	23.6	Very low	30.1	Very low	186 Å²	186	139.2 Å²	139.2	97%	0.974	75%	0.746	S	S	*	*			trans	-68.3	109.7	156.4	-84	84.2	0	0	0	109.7
499	S	22.6	Very low	28	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	78%	0.78	S	S	*	*			trans	-133.9	147.7	150.9	64.3	0	0	0	0	109.9	N497 S501	N497-S499 PolarHBondContact O-N 3.03Å; S499-S501 PolarHBondContact O-N 2.79Å
500	T	22.6	Very low	26.3	Very low	146 Å²	146	148.9 Å²	148.9	90%	0.896	79%	0.794	S	S	*	*			trans	-65.6	115	-171.3	45.8	0	0	0	0	113
501	S	22.6	Very low	25	Very low	112 Å²	112	154.2 Å²	154.2	78%	0.783	81%	0.811	S	S	*	*			trans	-164.3	136.3	151.4	49.7	0	0	0	0	111.5	S499	S499-S501 PolarHBondContact O-N 2.79Å
502	Y	22.5	Very low	24.4	Very low	220 Å²	220	159 Å²	159	86%	0.863	82%	0.819	S	S	*	*			trans	-86.7	131.6	163.8	-75.9	-98.7	0	0	0	108.4
503	F	22.2	Very low	24	Very low	170 Å²	170	160.8 Å²	160.8	75%	0.746	82%	0.819	S	S	*	*			trans	175.6	150.2	135.3	-103.1	-66.3	0	0	0	114.1
504	Y	23.6	Very low	23.7	Very low	197 Å²	197	157.6 Å²	157.6	77%	0.773	81%	0.807	S	S	*	*			trans	64.9	102.7	163.4	-67.7	-67	0	0	0	122.2
505	D	22.8	Very low	23.8	Very low	141 Å²	141	153.2 Å²	153.2	75%	0.754	78%	0.784	S	S	*	*				25.4	117.7	112.8	-165.2	16.7	0	0	0	119.2
506	R	24.7	Very low	24	Very low	244 Å²	244	151 Å²	151	92%	0.921	76%	0.757	S	S	*	*			trans	-166.1	131.9	140.4	-106.2	163.4	-161.1	-159	5.2	111.7
507	S	22.2	Very low	24.3	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	73%	0.732	S	S	*	*			trans	-65.6	149.1	172.6	57.4	0	0	0	0	113.9
508	I	23.5	Very low	24.6	Very low	168 Å²	168	141.5 Å²	141.5	86%	0.862	70%	0.697	S	S	*	*			trans	-161	147.4	145.6	-99.1	142.3	0	0	0	110.7
509	N	21.3	Very low	24.9	Very low	147 Å²	147	133.6 Å²	133.6	79%	0.786	66%	0.656	S	S	*	*			trans	-82.5	155.2	-176	-63.6	-61.1	0	0	0	113.6
510	M	22.8	Very low	25.4	Very low	173 Å²	173	129.6 Å²	129.6	85%	0.852	63%	0.628	S	S	*	*				173.2	150.4	116.5	-92.6	-94.8	167.6	0	0	117
511	K	24.5	Very low	26	Very low	197 Å²	197	126.4 Å²	126.4	86%	0.857	60%	0.603	S	S	*	*			trans	80	123.4	158.4	-78.5	179.5	177.4	176.4	0	122
512	K	23	Very low	26.6	Very low	199 Å²	199	126.2 Å²	126.2	87%	0.865	59%	0.588	S	S	*	*			trans	-63.4	139.5	178.7	-75.2	171.8	166.6	175.9	0	114.2
513	R	25.2	Very low	27.1	Very low	200 Å²	200	117.1 Å²	117.1	76%	0.755	56%	0.557	S	S	*	*			trans	-140.8	152.4	138.9	-106.2	-179.5	175.3	168.8	-2.4	108.8
514	T	25.3	Very low	27.6	Very low	105 Å²	105	113.8 Å²	113.8	64%	0.644	55%	0.554	S	S	*	*			trans	-125.9	75.6	-157.2	48.3	0	0	0	0	113.6
515	D	30.2	Very low	27.8	Very low	72 Å²	72	108 Å²	108	39%	0.385	53%	0.534	S	S	.	.			trans	-128.1	139.9	175.7	-63.5	-60.3	0	0	0	111.6
516	P	29.8	Very low	28.2	Very low	17 Å²	17	104.7 Å²	104.7	11%	0.11	52%	0.516	C	S	.	.			trans	-72	147.9	174.4	30	-32.4	0	0	0	111.9	K551 V650 Q678	P516-K551 HydrophobicContact CB-CD 4.34Å; P516-V650 HydrophobicContact CB-CG1 4.34Å; P516-V650 HydrophobicContact CB-CG2 4.48Å; P516-Q678 HydrophobicContact CG-CB 4.31Å
517	L	29.6	Very low	28.2	Very low	47 Å²	47	97.6 Å²	97.6	25%	0.246	50%	0.496	C	S	.	.			trans	-135.7	132.8	-163.2	-99.2	157.4	0	0	0	110.9	I545 F716	L517-I545 HydrophobicContact CB-CD1 4.08Å; L517-I545 HydrophobicContact CD1-CD1 3.86Å; L517-I545 HydrophobicContact CD2-CD1 4.24Å; L517-I545 HydrophobicContact CG-CD1 4.29Å; L517-F716 HydrophobicContact CD2-CB 3.48Å; L517-F716 VanDerWaalsContact CD2-CB 3.48Å; L517-F716 HydrophobicContact CD2-CD2 3.26Å; L517-F716 HydrophobicContact CD2-CE2 4.21Å; L517-F716 HydrophobicContact CD2-CG 3.6Å
518	I	32	Very low	28.4	Very low	19 Å²	19	96.6 Å²	96.6	10%	0.097	48%	0.483	C	S	.	.			trans	-137.2	125.4	-173	-55.3	167.2	0	0	0	109.9	I553 I648 V650 V681 I683	I518-I553 HydrophobicContact CD1-CG2 4.29Å; I518-I553 HydrophobicContact CG1-CD1 4.38Å; I518-I553 HydrophobicContact CG1-CG2 4.29Å; I518-I648 HydrophobicContact CD1-CB 4.09Å; I518-I648 HydrophobicContact CD1-CG2 3.76Å; I518-I648 HydrophobicContact CG1-CG2 4.5Å; I518-I648 HydrophobicContact CG2-CB 4.45Å; I518-I648 HydrophobicContact CG2-CD1 3.67Å; I518-I648 HydrophobicContact CG2-CG2 3.95Å; I518-V650 HydrophobicContact CD1-CG2 3.56Å; I518-V650 HydrophobicContact CG1-CG2 3.96Å; I518-V681 HydrophobicContact CD1-CB 4.09Å; I518-V681 HydrophobicContact CD1-CG2 3.88Å; I518-I683 HydrophobicContact CG2-CD1 4.26Å
519	L	31.1	Very low	28.4	Very low	21 Å²	21	94.5 Å²	94.5	11%	0.11	47%	0.467	C	S	.	.			trans	-111.9	151.2	170.7	-157.1	75.1	0	0	0	110.5	Q521 K542 F716	L519-Q521 HydrophobicContact CD2-CG 3.99Å; L519-Q521 HydrophobicContact CG-CG 4.28Å; L519-K542 WeakPolarHBondContact O-CG 3.36Å; L519-F716 HydrophobicContact CD1-CE1 4.34Å; L519-F716 HydrophobicContact CD1-CE2 4.06Å; L519-F716 HydrophobicContact CD1-CZ 3.43Å; L519-F716 VanDerWaalsContact CD1-CZ 3.43Å
520	S	32.8	Very low	28.6	Very low	21 Å²	21	95.4 Å²	95.4	15%	0.147	47%	0.471	C	S	.	.			trans	-139.7	129.8	164.3	179.4	0	0	0	0	107.9
521	Q	34.3	Very low	28.6	Very low	79 Å²	79	92.2 Å²	92.2	37%	0.369	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.6	178.7	-73.1	173.3	-34	0	0	109.7	L519 S523 Q541	L519-Q521 HydrophobicContact CD2-CG 3.99Å; L519-Q521 HydrophobicContact CG-CG 4.28Å; Q521-S523 PolarHBondContact O-N 2.87Å; Q521-Q541 PolarHBondContact N-O 2.85Å; Q521-Q541 PolarHBondContact O-N 2.69Å
522	K	35.2	Very low	28.7	Very low	108 Å²	108	89.7 Å²	89.7	47%	0.47	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.9	162.9	-178.5	-178.4	-177.2	-179.7	0	107	I686	K522-I686 PolarHBondContact NZ-O 3.03Å
523	S	34	Very low	28.8	Very low	30 Å²	30	86.2 Å²	86.2	21%	0.21	45%	0.452	C	S	.	.			trans	-76.5	136.9	174.1	56.5	0	0	0	0	109.8	Q521 E525 T539	Q521-S523 PolarHBondContact O-N 2.87Å; S523-E525 VanDerWaalsContact C-N 3.27Å; S523-E525 PolarHBondContact O-N 2.97Å; S523-T539 PolarHBondContact N-O 2.05Å; S523-T539 WeakPolarHBondContact OG-CB 3.03Å; S523-T539 WeakPolarHBondContact OG-CG2 3.22Å; S523-T539 PolarHBondContact OG-O 2.85Å
524	S	31.2	Very low	28.9	Very low	99 Å²	99	83.6 Å²	83.6	69%	0.692	45%	0.452	S	S	*	.			trans	-76.2	77.7	173.1	47	0	0	0	0	110.5	K61 I526	K61-S524 WeakPolarHBondContact CD-O 3.29Å; S524-I526 PolarHBondContact O-N 2.04Å; S524-I526 VanDerWaalsContact O-N 3.16Å
525	E	28.8	Very low	29	Very low	76 Å²	76	85.3 Å²	85.3	36%	0.355	46%	0.456	S	S	.	.			trans	-65.7	112.5	159.3	-94.1	175.2	-124.8	0	0	108.6	S523 T539	S523-E525 VanDerWaalsContact C-N 3.27Å; S523-E525 PolarHBondContact O-N 2.97Å; E525-T539 VanDerWaalsContact OE1-CB 3.26Å; E525-T539 WeakPolarHBondContact OE1-CB 3.03Å; E525-T539 PolarHBondContact OE1-OG1 3.38Å
526	I	30	Very low	29.1	Very low	72 Å²	72	87 Å²	87	37%	0.369	46%	0.462	S	S	.	.			trans	102.7	89.2	159.1	-57.5	164.5	0	0	0	114.5	K61 S524 N528 E536	K61-I526 VanDerWaalsContact NZ-N 3.14Å; S524-I526 PolarHBondContact O-N 2.04Å; S524-I526 VanDerWaalsContact O-N 3.16Å; I526-N528 HydrophobicContact CG2-CB 3.61Å; I526-N528 PolarHBondContact O-N 2.84Å; I526-N528 VanDerWaalsContact O-N 3.13Å; I526-E536 WeakPolarHBondContact CB-OE1 2.9Å; I526-E536 HydrophobicContact CD1-CG 4.13Å; I526-E536 WeakPolarHBondContact CD1-OE1 3.19Å; I526-E536 WeakPolarHBondContact CG2-OE1 3.48Å
527	N	25.1	Very low	29.2	Very low	95 Å²	95	93 Å²	93	51%	0.508	49%	0.486	S	S	.	.			trans	-72.2	84.5	146.4	-81.6	-2.6	0	0	0	107
528	N	25.9	Very low	29.5	Very low	84 Å²	84	91.5 Å²	91.5	45%	0.449	48%	0.479	S	S	.	.			trans	-141.1	155.7	158.4	-110.5	-44.1	0	0	0	112.6	D31 I526	D31-N528 PolarHBondContact OD1-ND2 2.96Å; I526-N528 HydrophobicContact CG2-CB 3.61Å; I526-N528 PolarHBondContact O-N 2.84Å; I526-N528 VanDerWaalsContact O-N 3.13Å
529	F	25.1	Very low	29.6	Very low	123 Å²	123	91.1 Å²	91.1	54%	0.539	48%	0.477	S	S	.	.			trans	-44.7	151.2	-176.4	-84.2	-110.1	0	0	0	115.2	V111 S531	V111-F529 HydrophobicContact CG2-CZ 4.34Å; F529-S531 VanDerWaalsContact C-N 3.35Å; F529-S531 PolarHBondContact O-N 2.83Å
530	L	24.5	Very low	29.7	Very low	166 Å²	166	90.8 Å²	90.8	87%	0.869	48%	0.476	S	S	*	.			trans	-46.8	98.3	149.8	-80.4	155.2	0	0	0	110.6
531	S	24.1	Very low	29.9	Very low	106 Å²	106	92.9 Å²	92.9	74%	0.741	48%	0.483	S	S	*	.			trans	-142	133.1	155.3	-172.7	0	0	0	0	108.1	F529 N533	F529-S531 VanDerWaalsContact C-N 3.35Å; F529-S531 PolarHBondContact O-N 2.83Å; S531-N533 PolarHBondContact O-N 3.37Å
532	I	26.1	Very low	30.3	Very low	144 Å²	144	90 Å²	90	74%	0.738	47%	0.469	S	S	*	.			trans	-80.8	105.1	-174.2	-64.5	160.9	0	0	0	108
533	N	24.9	Very low	30.5	Very low	127 Å²	127	89.4 Å²	89.4	68%	0.679	47%	0.468	S	S	*	.			trans	170.9	156	141	-82	-24.7	0	0	0	111.2	S531	S531-N533 PolarHBondContact O-N 3.37Å
534	D	28	Very low	30.8	Very low	144 Å²	144	91 Å²	91	77%	0.77	47%	0.47	S	S	*	.			trans	78	88.3	164.6	-57.6	-24	0	0	0	121.7	E536	D534-E536 PolarHBondContact O-N 3.28Å
535	I	26.4	Very low	31.1	Very low	142 Å²	142	88.3 Å²	88.3	73%	0.728	45%	0.447	S	S	*	.			trans	17.2	83.7	138.8	-42.8	176.8	0	0	0	117.1	P630	I535-P630 HydrophobicContact CG2-CG 4.04Å
536	E	32.9	Very low	31.5	Very low	107 Å²	107	93.1 Å²	93.1	50%	0.5	46%	0.462	S	S	.	.			trans	-76.3	153	173.9	-72.8	-176.5	153.3	0	0	114.2	I526 D534 P630	I526-E536 WeakPolarHBondContact CB-OE1 2.9Å; I526-E536 HydrophobicContact CD1-CG 4.13Å; I526-E536 WeakPolarHBondContact CD1-OE1 3.19Å; I526-E536 WeakPolarHBondContact CG2-OE1 3.48Å; D534-E536 PolarHBondContact O-N 3.28Å; E536-P630 WeakPolarHBondContact O-CD 3.31Å; E536-P630 VanDerWaalsContact O-CG 3.28Å; E536-P630 WeakPolarHBondContact O-CG 3.2Å
537	K	32.3	Very low	31.9	Very low	144 Å²	144	95.6 Å²	95.6	63%	0.626	48%	0.476	S	S	*	.			trans	-84.4	154.9	-179.7	-65.9	171.5	-173.3	164.6	0	111.6	I627	K537-I627 HydrophobicContact CB-CG2 4.18Å; K537-I627 HydrophobicContact CD-CG2 4.38Å
538	V	35	Very low	32.4	Very low	15 Å²	15	93.9 Å²	93.9	9%	0.091	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.2	177.1	-179.4	0	0	0	0	109.8	I627 S628 P630 M687	V538-I627 VanDerWaalsContact O-CA 3.31Å; V538-I627 WeakPolarHBondContact O-CA 3.4Å; V538-S628 WeakPolarHBondContact CB-OG 3.49Å; V538-S628 PolarHBondContact N-O 2.86Å; V538-S628 PolarHBondContact O-N 2.78Å; V538-P630 HydrophobicContact CG2-CB 4.43Å; V538-M687 HydrophobicContact CB-CE 4.12Å; V538-M687 HydrophobicContact CB-SD 4.2Å; V538-M687 HydrophobicContact CG1-CE 3.49Å; V538-M687 VanDerWaalsContact CG1-CE 3.49Å; V538-M687 HydrophobicContact CG1-SD 3.65Å; V538-M687 HydrophobicContact CG2-CE 3.5Å; V538-M687 VanDerWaalsContact CG2-CE 3.5Å; V538-M687 HydrophobicContact CG2-SD 3.63Å
539	T	33.5	Very low	33	Very low	10 Å²	10	97 Å²	97	6%	0.061	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.8	-179.7	-59.4	0	0	0	0	110.7	S523 E525 I625	S523-T539 PolarHBondContact N-O 2.05Å; S523-T539 WeakPolarHBondContact OG-CB 3.03Å; S523-T539 WeakPolarHBondContact OG-CG2 3.22Å; S523-T539 PolarHBondContact OG-O 2.85Å; E525-T539 VanDerWaalsContact OE1-CB 3.26Å; E525-T539 WeakPolarHBondContact OE1-CB 3.03Å; E525-T539 PolarHBondContact OE1-OG1 3.38Å; T539-I625 HydrophobicContact CG2-CG2 3.57Å
540	L	34.6	Very low	33.6	Very low	14 Å²	14	94.4 Å²	94.4	7%	0.073	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.9	174.2	-66	173	0	0	0	109.9	F609 I625 W626 L685	L540-F609 HydrophobicContact CD1-CE1 4.06Å; L540-F609 HydrophobicContact CD1-CZ 4.34Å; L540-I625 WeakPolarHBondContact O-CA 3.11Å; L540-W626 HydrophobicContact CB-CB 4.29Å; L540-W626 HydrophobicContact CD1-CB 4.49Å; L540-W626 PolarHBondContact N-O 3.23Å; L540-W626 PolarHBondContact O-N 2.76Å; L540-L685 HydrophobicContact CD1-CD1 4.26Å; L540-L685 HydrophobicContact CD2-CD1 3.69Å; L540-L685 HydrophobicContact CD2-CD2 3.7Å; L540-L685 HydrophobicContact CD2-CG 4.34Å
541	Q	37.2	Very low	34.6	Very low	66 Å²	66	88 Å²	88	31%	0.308	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149.2	178.8	-177.8	168.8	-21.8	0	0	111.6	Q521	Q521-Q541 PolarHBondContact N-O 2.85Å; Q521-Q541 PolarHBondContact O-N 2.69Å
542	K	42.3	Very low	35.5	Very low	17 Å²	17	84.8 Å²	84.8	7%	0.074	42%	0.417	C	S	.	.			trans	-142	133.2	-177.1	178.5	163.6	-175.4	172.4	0	111.1	L519 H623	L519-K542 WeakPolarHBondContact O-CG 3.36Å; K542-H623 PolarHBondContact O-ND1 2.82Å
543	E	39.3	Very low	36.5	Very low	96 Å²	96	80 Å²	80	45%	0.449	39%	0.393	S	S	.	.			trans	-112.9	150.1	177.3	-64.2	-155.9	133.6	0	0	112.6
544	R	39.2	Very low	37.6	Very low	65 Å²	65	75.5 Å²	75.5	25%	0.245	37%	0.368	C	S	.	.			trans	-113.6	128.4	179.2	-178.6	-178.2	178.9	-171.7	1.1	110	M548 N620	R544-M548 PolarHBondContact NH2-O 2.86Å; R544-N620 PolarHBondContact NH1-O 2.85Å
545	I	38.1	Very low	38.7	Very low	41 Å²	41	69.4 Å²	69.4	21%	0.21	34%	0.335	C	S	.	.			trans	-79.6	131	175.2	-59.7	156.6	0	0	0	109.2	L517 N547 L713 I714	L517-I545 HydrophobicContact CB-CD1 4.08Å; L517-I545 HydrophobicContact CD1-CD1 3.86Å; L517-I545 HydrophobicContact CD2-CD1 4.24Å; L517-I545 HydrophobicContact CG-CD1 4.29Å; I545-N547 PolarHBondContact O-N 2.7Å; I545-L713 HydrophobicContact CG2-CD2 4.28Å; I545-I714 WeakPolarHBondContact CD1-O 3.38Å; I545-I714 WeakPolarHBondContact CG1-O 3.38Å; I545-I714 WeakPolarHBondContact CG2-O 3.45Å
546	R	38	Very low	39.8	Very low	178 Å²	178	65.2 Å²	65.2	67%	0.672	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	2.1	-166.6	-77	-175.6	172.6	173.3	-0.4	117.8	L713	R546-L713 HydrophobicContact CB-CD2 4.43Å
547	N	38.2	Very low	40.7	Very low	123 Å²	123	62.4 Å²	62.4	66%	0.658	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	17.7	-165	-85.6	4	0	0	0	116.8	I545	I545-N547 PolarHBondContact O-N 2.7Å
548	M	35.6	Very low	41.7	Very low	60 Å²	60	56 Å²	56	30%	0.296	27%	0.271	S	S	.	.	S	Bend	trans	-130.5	119.2	176.4	-75.3	-84.2	175	0	0	111.3	R544	R544-M548 PolarHBondContact NH2-O 2.86Å
549	N	37	Very low	42.5	Very low	149 Å²	149	57.4 Å²	57.4	80%	0.797	28%	0.278	S	S	*	.	S	Bend	trans	-47	138.4	168.1	-69.1	-3.7	0	0	0	109.9	K551	N549-K551 PolarHBondContact O-N 3.43Å
550	S	37.9	Very low	43.5	Very low	68 Å²	68	57 Å²	57	48%	0.476	28%	0.276	S	S	.	.	S	Bend	trans	6.9	95.7	176.4	55.4	0	0	0	0	115	Q652	S550-Q652 CarbonylContact C-O 3.52Å; S550-Q652 CarbonylContact O-C 3.54Å; S550-Q652 PolarHBondContact OG-O 2.03Å
551	K	46.4	Very low	44.5	Very low	31 Å²	31	57.9 Å²	57.9	14%	0.135	28%	0.28	C	S	.	.			trans	-128.1	128.5	161.7	-66.7	-166.3	-174.8	-172.3	0	109	P516 N549 V650 C651	P516-K551 HydrophobicContact CB-CD 4.34Å; N549-K551 PolarHBondContact O-N 3.43Å; K551-V650 HydrophobicContact CB-CG1 3.88Å; K551-V650 HydrophobicContact CD-CG1 3.79Å; K551-V650 HydrophobicContact CG-CG1 4.27Å; K551-C651 CarbonylContact C-O 3.54Å; K551-C651 WeakPolarHBondContact CA-O 3.36Å
552	F	42.8	Very low	45	Very low	40 Å²	40	54.9 Å²	54.9	18%	0.175	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150.5	176	-66.4	-97.1	0	0	0	107.8	N622 V650 C651 E654	F552-N622 WeakPolarHBondContact CE1-ND2 3.33Å; F552-V650 CarbonylContact O-C 3.43Å; F552-V650 WeakPolarHBondContact O-CA 3.31Å; F552-C651 HydrophobicContact CB-CB 4.35Å; F552-C651 PolarHBondContact N-O 2.82Å; F552-C651 PolarHBondContact O-N 3.21Å; F552-E654 HydrophobicContact CD1-CB 3.76Å; F552-E654 HydrophobicContact CD1-CG 3.7Å; F552-E654 HydrophobicContact CD2-CB 4.28Å; F552-E654 HydrophobicContact CE1-CB 3.41Å; F552-E654 VanDerWaalsContact CE1-CB 3.41Å; F552-E654 VanDerWaalsContact CE1-CD 3.47Å; F552-E654 HydrophobicContact CE1-CG 3.44Å; F552-E654 VanDerWaalsContact CE1-CG 3.44Å; F552-E654 HydrophobicContact CE2-CB 3.98Å; F552-E654 HydrophobicContact CG-CB 4.19Å; F552-E654 HydrophobicContact CZ-CB 3.53Å; F552-E654 HydrophobicContact CZ-CG 4.09Å
553	I	47.1	Very low	45.4	Very low	44 Å²	44	59.6 Å²	59.6	23%	0.226	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	113.1	-172.9	-42.9	172.7	0	0	0	110	I518 I648 R649 V650	I518-I553 HydrophobicContact CD1-CG2 4.29Å; I518-I553 HydrophobicContact CG1-CD1 4.38Å; I518-I553 HydrophobicContact CG1-CG2 4.29Å; I553-I648 HydrophobicContact CG2-CG2 3.23Å; I553-R649 CarbonylContact C-O 3.55Å; I553-R649 VanDerWaalsContact CA-O 3.31Å; I553-R649 WeakPolarHBondContact CA-O 3.45Å; I553-R649 VanDerWaalsContact CG2-O 3.27Å; I553-R649 WeakPolarHBondContact CG2-O 3.1Å; I553-V650 HydrophobicContact CG1-CG1 4.32Å; I553-V650 HydrophobicContact CG1-CG2 4.37Å; I553-V650 HydrophobicContact CG2-CG2 4.04Å
554	L	47.5	Very low	45.7	Very low	32 Å²	32	56.8 Å²	56.8	17%	0.168	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.8	-178.9	-178.7	67.8	0	0	0	109.6	I648 R649	L554-I648 WeakPolarHBondContact O-CA 3.4Å; L554-I648 WeakPolarHBondContact O-CG2 3.49Å; L554-R649 HydrophobicContact CB-CB 4.46Å; L554-R649 PolarHBondContact N-O 3.03Å; L554-R649 PolarHBondContact O-N 3.12Å
555	I	52.5	Low	46.2	Very low	15 Å²	15	55.9 Å²	55.9	8%	0.077	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.8	164.7	-58.6	-179	0	0	0	106.2	W626 C646 I648	I555-W626 HydrophobicContact CD1-CD2 4.33Å; I555-W626 HydrophobicContact CD1-CG 4.2Å; I555-C646 HydrophobicContact CG2-CB 4.32Å; I555-I648 HydrophobicContact CG1-CG1 4.39Å
556	E	48.8	Very low	46.5	Very low	55 Å²	55	57 Å²	57	26%	0.257	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-47.4	179.5	-67.2	-171.8	-171.4	0	0	110.8	L647 R649	E556-L647 HydrophobicContact CB-CB 4.43Å; E556-L647 HydrophobicContact CB-CD2 4.14Å; E556-L647 HydrophobicContact CB-CG 4.23Å; E556-L647 HydrophobicContact CG-CD2 4.43Å; E556-L647 HydrophobicContact CG-CG 4.48Å; E556-L647 PolarHBondContact N-O 3.02Å; E556-L647 WeakPolarHBondContact OE2-CD2 3.11Å; E556-R649 HydrophobicContact CG-CB 4.08Å; E556-R649 WeakPolarHBondContact OE1-CB 3.06Å; E556-R649 IonicContact OE1-CZ 3.75Å; E556-R649 IonicContact OE1-NE 3.38Å; E556-R649 PolarHBondContact OE1-NE 3.44Å; E556-R649 IonicContact OE1-NH2 2.7Å; E556-R649 PolarHBondContact OE1-NH2 3.07Å; E556-R649 IonicContact OE2-NH2 3.36Å
557	Y	52	Low	46.6	Very low	48 Å²	48	52.1 Å²	52.1	19%	0.188	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	167	174.9	59.4	-100.5	0	0	0	110.7	L559 L579 C646 L647	Y557-L559 HydrophobicContact CD2-CD1 4.46Å; Y557-L559 HydrophobicContact CD2-CG 3.9Å; Y557-L559 HydrophobicContact CE2-CD1 3.83Å; Y557-L559 HydrophobicContact CE2-CG 3.77Å; Y557-L579 HydrophobicContact CD1-CD2 3.98Å; Y557-L579 HydrophobicContact CD2-CD2 4.17Å; Y557-L579 HydrophobicContact CE1-CD1 4.21Å; Y557-L579 HydrophobicContact CE1-CD2 3.79Å; Y557-L579 HydrophobicContact CE1-CG 4.47Å; Y557-L579 HydrophobicContact CE2-CD2 4.02Å; Y557-L579 HydrophobicContact CG-CD2 4.16Å; Y557-C646 CarbonylContact O-C 3.54Å; Y557-C646 WeakPolarHBondContact O-CA 3.4Å; Y557-L647 HydrophobicContact CD1-CB 4.24Å; Y557-L647 HydrophobicContact CD1-CD2 4.12Å; Y557-L647 HydrophobicContact CD2-CB 4.27Å; Y557-L647 HydrophobicContact CE1-CB 3.91Å; Y557-L647 HydrophobicContact CE1-CD2 3.34Å; Y557-L647 HydrophobicContact CE1-CG 4.24Å; Y557-L647 HydrophobicContact CE2-CB 3.9Å; Y557-L647 HydrophobicContact CG-CB 4.42Å; Y557-L647 PolarHBondContact O-N 2.92Å
558	C	52.4	Low	46.4	Very low	9 Å²	9	55.4 Å²	55.4	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.6	165.3	-60.2	0	0	0	0	109.7	F609 T645 C646	C558-F609 HydrophobicContact CB-CZ 4.46Å; C558-T645 WeakPolarHBondContact CA-O 3.43Å; C558-C646 HydrophobicContact CB-CB 4.09Å; C558-C646 WeakPolarHBondContact CB-SG 3.45Å; C558-C646 WeakPolarHBondContact SG-CB 3.22Å; C558-C646 CovalentContact SG-SG 2.05Å; C558-C646 PolarHBondContact SG-SG 2.04Å
559	L	53.2	Low	46.3	Very low	45 Å²	45	57.4 Å²	57.4	24%	0.236	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	146.4	173.8	-69.3	171.6	0	0	0	110	Y557 L579 S644 T645	Y557-L559 HydrophobicContact CD2-CD1 4.46Å; Y557-L559 HydrophobicContact CD2-CG 3.9Å; Y557-L559 HydrophobicContact CE2-CD1 3.83Å; Y557-L559 HydrophobicContact CE2-CG 3.77Å; L559-L579 HydrophobicContact CD2-CD2 4.42Å; L559-S644 CarbonylContact O-C 3.56Å; L559-S644 WeakPolarHBondContact O-CA 3.17Å; L559-T645 PolarHBondContact N-O 3.19Å; L559-T645 PolarHBondContact O-N 3.28Å
560	I	53.6	Low	46.1	Very low	2 Å²	2	60.7 Å²	60.7	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.5	177.8	-51.3	158.9	0	0	0	109.7	Q605 I607 F631 V642 Y643	I560-Q605 HydrophobicContact CD1-CB 4.14Å; I560-Q605 WeakPolarHBondContact CD1-O 3.45Å; I560-Q605 WeakPolarHBondContact CG1-O 3.35Å; I560-I607 HydrophobicContact CD1-CD1 3.91Å; I560-I607 HydrophobicContact CD1-CG1 3.26Å; I560-I607 HydrophobicContact CG1-CD1 4.03Å; I560-I607 HydrophobicContact CG1-CG1 3.81Å; I560-F631 HydrophobicContact CB-CZ 4.37Å; I560-F631 HydrophobicContact CD1-CD2 4.35Å; I560-F631 HydrophobicContact CD1-CE1 3.8Å; I560-F631 HydrophobicContact CD1-CE2 3.53Å; I560-F631 HydrophobicContact CD1-CZ 3.24Å; I560-F631 HydrophobicContact CG1-CE2 4.37Å; I560-F631 HydrophobicContact CG1-CZ 3.86Å; I560-F631 HydrophobicContact CG2-CE2 3.75Å; I560-F631 HydrophobicContact CG2-CZ 3.66Å; I560-V642 HydrophobicContact CG2-CG1 3.19Å; I560-Y643 CarbonylContact C-O 3.52Å; I560-Y643 WeakPolarHBondContact CA-O 3.37Å
561	N	56.5	Low	45.8	Very low	31 Å²	31	58.5 Å²	58.5	17%	0.166	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158.7	172	-165	-17	0	0	0	111	Q563 I565 Y643	N561-Q563 WeakPolarHBondContact CB-O 3.17Å; N561-Q563 PolarHBondContact O-N 3.05Å; N561-Q563 PolarHBondContact OD1-N 2.8Å; N561-I565 HydrophobicContact CB-CD1 4.18Å; N561-I565 HydrophobicContact CB-CG1 4.16Å; N561-Y643 PolarHBondContact N-O 3.16Å; N561-Y643 PolarHBondContact O-N 3.31Å
562	G	47.1	Very low	45	Very low	4 Å²	4	60.6 Å²	60.6	4%	0.041	30%	0.304	C	S	.	.	S	Bend	trans	-74.6	-4	169.7	0	0	0	0	0	114.1	Y643	G562-Y643 WeakPolarHBondContact O-CE2 3.3Å
563	Q	50.5	Low	44.3	Very low	116 Å²	116	68 Å²	68	54%	0.542	33%	0.331	S	S	.	.	S	Bend	trans	-134	152.5	176.1	-63.1	-177.7	0.4	0	0	111.2	N561 I565 Y643	N561-Q563 WeakPolarHBondContact CB-O 3.17Å; N561-Q563 PolarHBondContact O-N 3.05Å; N561-Q563 PolarHBondContact OD1-N 2.8Å; Q563-I565 PolarHBondContact O-N 3.29Å; Q563-Y643 VanDerWaalsContact C-CD2 3.48Å
564	S	45.6	Very low	43.4	Very low	37 Å²	37	72.6 Å²	72.6	26%	0.259	35%	0.352	S	S	.	.			trans	-67.9	111.8	175.4	63.8	0	0	0	0	110.9	G449 P566	G449-S564 WeakPolarHBondContact CA-OG 3.43Å; S564-P566 VanDerWaalsContact O-CD 3.3Å; S564-P566 WeakPolarHBondContact O-CD 3Å
565	I	49.5	Very low	42.6	Very low	46 Å²	46	74.9 Å²	74.9	24%	0.236	36%	0.362	C	S	.	.			trans	-67.3	118	177.6	-57.5	175.8	0	0	0	109.2	N561 Q563 S567 I569	N561-I565 HydrophobicContact CB-CD1 4.18Å; N561-I565 HydrophobicContact CB-CG1 4.16Å; Q563-I565 PolarHBondContact O-N 3.29Å; I565-S567 PolarHBondContact O-N 2.66Å; I565-I569 HydrophobicContact CG2-CD1 4.28Å
566	P	43.8	Very low	41.5	Very low	63 Å²	63	78.3 Å²	78.3	41%	0.409	38%	0.377	S	S	.	.			trans	-69.7	134.3	179.8	27.1	-33	0	0	0	110.6	S564 K568 I569	S564-P566 VanDerWaalsContact O-CD 3.3Å; S564-P566 WeakPolarHBondContact O-CD 3Å; P566-K568 PolarHBondContact O-N 3.04Å; P566-I569 HydrophobicContact CG-CD1 4.03Å; P566-I569 HydrophobicContact CG-CG1 4.25Å; P566-I569 PolarHBondContact O-N 3.32Å
567	S	40.1	Very low	40.5	Very low	77 Å²	77	83 Å²	83	54%	0.538	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	7	-175.8	70.8	0	0	0	0	116.3	I565	I565-S567 PolarHBondContact O-N 2.66Å
568	K	34.3	Very low	39.5	Very low	191 Å²	191	85.2 Å²	85.2	83%	0.83	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-17.1	174.3	-77.3	-173.4	173.7	-177.8	0	113.4	P566 R570	P566-K568 PolarHBondContact O-N 3.04Å; K568-R570 VanDerWaalsContact C-N 3.34Å; K568-R570 PolarHBondContact O-N 3.03Å
569	I	34	Very low	38.6	Very low	103 Å²	103	87.2 Å²	87.2	53%	0.528	42%	0.424	S	S	.	.			trans	-73.7	94.5	170.7	-58.3	175.8	0	0	0	106.7	I565 P566	I565-I569 HydrophobicContact CG2-CD1 4.28Å; P566-I569 HydrophobicContact CG-CD1 4.03Å; P566-I569 HydrophobicContact CG-CG1 4.25Å; P566-I569 PolarHBondContact O-N 3.32Å
570	R	32.9	Very low	37.7	Very low	217 Å²	217	91.3 Å²	91.3	82%	0.819	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-62	135.5	159.3	-73.4	-176.6	177.3	176.1	-0.9	106.7	K568 T572	K568-R570 VanDerWaalsContact C-N 3.34Å; K568-R570 PolarHBondContact O-N 3.03Å; R570-T572 PolarHBondContact O-N 3.37Å
571	P	30.6	Very low	36.6	Very low	23 Å²	23	97.7 Å²	97.7	15%	0.149	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-53.9	128	161.4	24.7	-31.7	0	0	0	107.9	H575 E576 L579	P571-H575 HydrophobicContact CB-CB 3.55Å; P571-E576 HydrophobicContact CB-CG 4Å; P571-E576 HydrophobicContact CG-CG 3.93Å; P571-L579 HydrophobicContact CB-CD1 4.04Å; P571-L579 HydrophobicContact CG-CD1 4.41Å
572	T	30.3	Very low	35.7	Very low	75 Å²	75	100.9 Å²	100.9	46%	0.46	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-66.7	166.5	168.5	44.1	0	0	0	0	109.4	R570 E574 H575 E576	R570-T572 PolarHBondContact O-N 3.37Å; T572-E574 PolarHBondContact O-N 3.18Å; T572-E574 VanDerWaalsContact O-N 3.16Å; T572-H575 CarbonylContact O-C 3.51Å; T572-H575 WeakPolarHBondContact O-CA 3.19Å; T572-H575 WeakPolarHBondContact O-CB 3.48Å; T572-H575 PolarHBondContact O-N 3.12Å; T572-E576 PolarHBondContact O-N 3.4Å
573	Y	27.2	Very low	35	Very low	194 Å²	194	103.9 Å²	103.9	76%	0.761	51%	0.511	S	S	*	.	H	α-helix	trans	-52.9	-38.1	178.1	-106.2	-94.2	0	0	0	112.4	H575 E576 E577	Y573-H575 VanDerWaalsContact C-N 3.32Å; Y573-H575 PolarHBondContact O-N 3.41Å; Y573-E576 PolarHBondContact O-N 2.94Å; Y573-E576 VanDerWaalsContact O-N 3.12Å; Y573-E577 PolarHBondContact O-N 2.9Å
574	E	28.2	Very low	34.4	Very low	141 Å²	141	103 Å²	103	66%	0.659	51%	0.506	S	S	*	.	H	α-helix	trans	-59.7	-38.8	173.7	-60.7	176.6	154.1	0	0	112.7	T572 L578	T572-E574 PolarHBondContact O-N 3.18Å; T572-E574 VanDerWaalsContact O-N 3.16Å; E574-L578 WeakPolarHBondContact O-CB 3.22Å; E574-L578 WeakPolarHBondContact O-CD1 3.33Å; E574-L578 PolarHBondContact O-N 3.3Å
575	H	32.2	Very low	33.8	Very low	81 Å²	81	108.7 Å²	108.7	38%	0.375	53%	0.534	S	S	.	.	H	α-helix	trans	-73.3	-35.3	173.6	-65.4	-15.8	0	0	0	111.8	P571 T572 Y573 L578 L579	P571-H575 HydrophobicContact CB-CB 3.55Å; T572-H575 CarbonylContact O-C 3.51Å; T572-H575 WeakPolarHBondContact O-CA 3.19Å; T572-H575 WeakPolarHBondContact O-CB 3.48Å; T572-H575 PolarHBondContact O-N 3.12Å; Y573-H575 VanDerWaalsContact C-N 3.32Å; Y573-H575 PolarHBondContact O-N 3.41Å; H575-L578 PolarHBondContact O-N 3.25Å; H575-L579 VanDerWaalsContact O-CB 3.25Å; H575-L579 WeakPolarHBondContact O-CB 3.3Å; H575-L579 VanDerWaalsContact O-CD1 3.27Å; H575-L579 WeakPolarHBondContact O-CD1 3.03Å; H575-L579 WeakPolarHBondContact O-CG 3.33Å; H575-L579 PolarHBondContact O-N 2.93Å
576	E	29.2	Very low	33	Very low	86 Å²	86	110.8 Å²	110.8	40%	0.402	55%	0.548	S	S	.	.	H	α-helix	trans	-68.1	-37.5	176.7	-69.2	-165.2	131.5	0	0	112.4	P571 T572 Y573 L579 D580	P571-E576 HydrophobicContact CB-CG 4Å; P571-E576 HydrophobicContact CG-CG 3.93Å; T572-E576 PolarHBondContact O-N 3.4Å; Y573-E576 PolarHBondContact O-N 2.94Å; Y573-E576 VanDerWaalsContact O-N 3.12Å; E576-L579 PolarHBondContact O-N 2.92Å; E576-D580 PolarHBondContact O-N 2.86Å
577	E	27.7	Very low	32.6	Very low	154 Å²	154	113.9 Å²	113.9	72%	0.72	56%	0.562	S	S	*	*	H	α-helix	trans	-66.8	-37.9	170.4	-74.5	-168.6	146.4	0	0	112.8	Y573 L579	Y573-E577 PolarHBondContact O-N 2.9Å; E577-L579 VanDerWaalsContact C-N 3.25Å; E577-L579 PolarHBondContact O-N 3.25Å
578	L	29.9	Very low	32.4	Very low	94 Å²	94	117.1 Å²	117.1	49%	0.492	57%	0.572	S	S	.	*	H	α-helix	trans	-67.5	-23.2	172.9	-93.1	153.5	0	0	0	113.3	E574 H575 F598	E574-L578 WeakPolarHBondContact O-CB 3.22Å; E574-L578 WeakPolarHBondContact O-CD1 3.33Å; E574-L578 PolarHBondContact O-N 3.3Å; H575-L578 PolarHBondContact O-N 3.25Å; L578-F598 HydrophobicContact CD2-CE1 4.12Å; L578-F598 HydrophobicContact CD2-CZ 3.7Å
579	L	33.8	Very low	32.6	Very low	52 Å²	52	116 Å²	116	27%	0.272	57%	0.569	S	S	.	*	H	α-helix	trans	-88.3	-16.7	-178.6	-78.4	164.9	0	0	0	114	Y557 L559 P571 H575 E576 E577 L581	Y557-L579 HydrophobicContact CD1-CD2 3.98Å; Y557-L579 HydrophobicContact CD2-CD2 4.17Å; Y557-L579 HydrophobicContact CE1-CD1 4.21Å; Y557-L579 HydrophobicContact CE1-CD2 3.79Å; Y557-L579 HydrophobicContact CE1-CG 4.47Å; Y557-L579 HydrophobicContact CE2-CD2 4.02Å; Y557-L579 HydrophobicContact CG-CD2 4.16Å; L559-L579 HydrophobicContact CD2-CD2 4.42Å; P571-L579 HydrophobicContact CB-CD1 4.04Å; P571-L579 HydrophobicContact CG-CD1 4.41Å; H575-L579 VanDerWaalsContact O-CB 3.25Å; H575-L579 WeakPolarHBondContact O-CB 3.3Å; H575-L579 VanDerWaalsContact O-CD1 3.27Å; H575-L579 WeakPolarHBondContact O-CD1 3.03Å; H575-L579 WeakPolarHBondContact O-CG 3.33Å; H575-L579 PolarHBondContact O-N 2.93Å; E576-L579 PolarHBondContact O-N 2.92Å; E577-L579 VanDerWaalsContact C-N 3.25Å; E577-L579 PolarHBondContact O-N 3.25Å; L579-L581 PolarHBondContact O-N 3.2Å
580	D	34.8	Very low	32.7	Very low	131 Å²	131	119.7 Å²	119.7	70%	0.701	58%	0.576	S	S	*	*			trans	-76.4	-9	-177.4	-137.7	8.1	0	0	0	113.1	E576 K582	E576-D580 PolarHBondContact O-N 2.86Å; D580-K582 PolarHBondContact O-N 3.16Å
581	L	31.1	Very low	33	Very low	135 Å²	135	112.5 Å²	112.5	71%	0.707	55%	0.553	S	S	*	*	S	Bend	trans	-81.6	75.5	173.3	-79	163.3	0	0	0	112	L579 C583	L579-L581 PolarHBondContact O-N 3.2Å; L581-C583 PolarHBondContact O-N 2.88Å
582	K	36.8	Very low	33.4	Very low	98 Å²	98	118.5 Å²	118.5	43%	0.426	58%	0.577	S	S	.	*			trans	-41.1	119.4	-179.5	-69.6	-173.9	176.3	-172.1	0	115	D580 F584 E661 S664	D580-K582 PolarHBondContact O-N 3.16Å; K582-F584 PolarHBondContact O-N 2.05Å; K582-E661 PolarHBondContact NZ-O 2.93Å; K582-S664 VanDerWaalsContact CE-OG 3.29Å; K582-S664 WeakPolarHBondContact CE-OG 3.4Å; K582-S664 PolarHBondContact NZ-OG 3.08Å
583	C	33.4	Very low	33.7	Very low	67 Å²	67	124.5 Å²	124.5	45%	0.453	59%	0.591	S	S	.	*			trans	-76.1	56.2	168.9	-73.9	0	0	0	0	113.2	L581	L581-C583 PolarHBondContact O-N 2.88Å
584	F	37.3	Very low	34.3	Very low	97 Å²	97	118.9 Å²	118.9	43%	0.425	57%	0.573	S	S	.	*	S	Bend	trans	-134.1	114.3	168.4	-86.5	-84.7	0	0	0	112.7	K582 T586 I612 W626	K582-F584 PolarHBondContact O-N 2.05Å; F584-T586 PolarHBondContact O-N 2.88Å; F584-I612 HydrophobicContact CE1-CD1 4.27Å; F584-W626 HydrophobicContact CE1-CZ3 4Å; F584-W626 HydrophobicContact CZ-CH2 4.01Å; F584-W626 AromaticContact CZ-CZ3 3.59Å; F584-W626 HydrophobicContact CZ-CZ3 3.59Å
585	N	32.8	Very low	34.8	Very low	158 Å²	158	118.3 Å²	118.3	85%	0.845	57%	0.573	S	S	*	*	S	Bend	trans	53.6	53.2	149.6	-154.9	19.9	0	0	0	119
586	T	32.3	Very low	35.3	Very low	89 Å²	89	118.5 Å²	118.5	55%	0.546	58%	0.576	S	S	.	*			trans	-142.5	127.8	160.4	49.5	0	0	0	0	114.6	F584	F584-T586 PolarHBondContact O-N 2.88Å
587	N	35.1	Very low	35.9	Very low	128 Å²	128	120.9 Å²	120.9	68%	0.684	59%	0.591	S	S	*	*			trans	45.6	106.2	161	-73.6	-34.4	0	0	0	120.2	H589 R590	N587-H589 PolarHBondContact O-N 2.88Å; N587-R590 PolarHBondContact O-N 2.93Å
588	I	37.2	Very low	36.6	Very low	146 Å²	146	117.9 Å²	117.9	75%	0.749	58%	0.576	S	S	*	*	H	α-helix	trans	-45.1	-34.4	169.5	-65.7	171.7	0	0	0	113.4	R590 I591 K592	I588-R590 PolarHBondContact O-N 3.26Å; I588-I591 PolarHBondContact O-N 2.93Å; I588-K592 PolarHBondContact O-N 2.88Å
589	H	37.5	Very low	37	Very low	167 Å²	167	120.6 Å²	120.6	77%	0.773	58%	0.583	S	S	*	*	H	α-helix	trans	-69.6	-27.5	179.1	-96.6	-82.2	0	0	0	115.2	N587	N587-H589 PolarHBondContact O-N 2.88Å
590	R	37.4	Very low	37.2	Very low	180 Å²	180	125 Å²	125	68%	0.679	61%	0.607	S	S	*	*	H	α-helix	trans	-78.9	-35.4	173.5	-92.3	-175.3	171.6	175.8	-4.1	111.6	N587 I588 K592 R593 I594	N587-R590 PolarHBondContact O-N 2.93Å; I588-R590 PolarHBondContact O-N 3.26Å; R590-K592 PolarHBondContact O-N 3.24Å; R590-R593 PolarHBondContact O-N 3.5Å; R590-R593 VanDerWaalsContact O-N 3.1Å; R590-I594 WeakPolarHBondContact O-CG1 3.18Å; R590-I594 PolarHBondContact O-N 3.48Å
591	I	38.7	Very low	37.4	Very low	66 Å²	66	123.3 Å²	123.3	34%	0.338	60%	0.598	S	S	.	*	H	α-helix	trans	-56	-37.3	175.4	-60.3	177.4	0	0	0	111	I588 I594 M595	I588-I591 PolarHBondContact O-N 2.93Å; I591-I594 PolarHBondContact O-N 2.74Å; I591-M595 HydrophobicContact CG2-CG 4.38Å; I591-M595 WeakPolarHBondContact O-CB 3.44Å; I591-M595 WeakPolarHBondContact O-CG 3.37Å; I591-M595 PolarHBondContact O-N 2.83Å
592	K	37.9	Very low	37.7	Very low	149 Å²	149	120.9 Å²	120.9	65%	0.648	59%	0.59	S	S	*	*	H	α-helix	trans	-63.5	-44.1	176.2	-160.8	173	-175.5	179.4	0	113.2	I588 R590 I594 M595 D596	I588-K592 PolarHBondContact O-N 2.88Å; R590-K592 PolarHBondContact O-N 3.24Å; K592-I594 VanDerWaalsContact C-N 3.34Å; K592-I594 PolarHBondContact O-N 3.2Å; K592-M595 PolarHBondContact O-N 2.91Å; K592-D596 PolarHBondContact O-N 3.26Å
593	R	38	Very low	38	Very low	202 Å²	202	121.5 Å²	121.5	76%	0.762	60%	0.595	S	S	*	*	H	α-helix	trans	-63.3	-38.7	174.3	-99	-174.4	175.3	-177.1	-1.6	112.6	R590 D596 L597	R590-R593 PolarHBondContact O-N 3.5Å; R590-R593 VanDerWaalsContact O-N 3.1Å; R593-D596 PolarHBondContact O-N 3.14Å; R593-L597 PolarHBondContact O-N 3.16Å; R593-L597 VanDerWaalsContact O-N 3.11Å
594	I	39.4	Very low	38.2	Very low	75 Å²	75	123.1 Å²	123.1	39%	0.385	59%	0.592	S	S	.	*	H	α-helix	trans	-64	-49.3	175.7	-70.9	169.8	0	0	0	109.7	R590 I591 K592 D596 L597 F598	R590-I594 WeakPolarHBondContact O-CG1 3.18Å; R590-I594 PolarHBondContact O-N 3.48Å; I591-I594 PolarHBondContact O-N 2.74Å; K592-I594 VanDerWaalsContact C-N 3.34Å; K592-I594 PolarHBondContact O-N 3.2Å; I594-D596 VanDerWaalsContact C-N 3.26Å; I594-D596 PolarHBondContact O-N 3.16Å; I594-L597 WeakPolarHBondContact O-CB 3.34Å; I594-L597 PolarHBondContact O-N 2.83Å; I594-L597 VanDerWaalsContact O-N 3.08Å; I594-F598 HydrophobicContact CG2-CD2 3.66Å; I594-F598 HydrophobicContact CG2-CE2 3.81Å; I594-F598 VanDerWaalsContact O-CD2 3.27Å; I594-F598 WeakPolarHBondContact O-CD2 3.49Å; I594-F598 PolarHBondContact O-N 2.87Å
595	M	38.3	Very low	38.6	Very low	130 Å²	130	122.1 Å²	122.1	64%	0.64	59%	0.588	S	S	*	*	H	α-helix	trans	-62.3	-28.8	176.9	-74.8	-149.3	73	0	0	114.3	I591 K592	I591-M595 HydrophobicContact CG2-CG 4.38Å; I591-M595 WeakPolarHBondContact O-CB 3.44Å; I591-M595 WeakPolarHBondContact O-CG 3.37Å; I591-M595 PolarHBondContact O-N 2.83Å; K592-M595 PolarHBondContact O-N 2.91Å
596	D	42.9	Very low	38.8	Very low	84 Å²	84	118.6 Å²	118.6	45%	0.449	58%	0.575	S	S	.	*	H	α-helix	trans	-76.6	-29.6	173.6	-75.2	-41.7	0	0	0	112.8	K592 R593 I594 K599	K592-D596 PolarHBondContact O-N 3.26Å; R593-D596 PolarHBondContact O-N 3.14Å; I594-D596 VanDerWaalsContact C-N 3.26Å; I594-D596 PolarHBondContact O-N 3.16Å; D596-K599 IonicContact OD1-NZ 2.73Å; D596-K599 PolarHBondContact OD1-NZ 3.03Å
597	L	42.1	Very low	39.4	Very low	137 Å²	137	115.3 Å²	115.3	72%	0.717	55%	0.554	S	S	*	*	H	α-helix	trans	-71.3	-39.9	171.2	-82.4	158.8	0	0	0	112.6	R593 I594 K599	R593-L597 PolarHBondContact O-N 3.16Å; R593-L597 VanDerWaalsContact O-N 3.11Å; I594-L597 WeakPolarHBondContact O-CB 3.34Å; I594-L597 PolarHBondContact O-N 2.83Å; I594-L597 VanDerWaalsContact O-N 3.08Å; L597-K599 VanDerWaalsContact C-N 3.3Å; L597-K599 PolarHBondContact O-N 3.29Å
598	F	42	Very low	39.6	Very low	90 Å²	90	114.7 Å²	114.7	40%	0.395	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-82.1	2.9	-177.1	-77.3	-73.6	0	0	0	115.1	L578 I594 N600 L601	L578-F598 HydrophobicContact CD2-CE1 4.12Å; L578-F598 HydrophobicContact CD2-CZ 3.7Å; I594-F598 HydrophobicContact CG2-CD2 3.66Å; I594-F598 HydrophobicContact CG2-CE2 3.81Å; I594-F598 VanDerWaalsContact O-CD2 3.27Å; I594-F598 WeakPolarHBondContact O-CD2 3.49Å; I594-F598 PolarHBondContact O-N 2.87Å; F598-N600 PolarHBondContact O-N 3.06Å; F598-N600 VanDerWaalsContact O-N 3.08Å; F598-L601 HydrophobicContact CD1-CD1 4.19Å; F598-L601 HydrophobicContact CE1-CD1 4.27Å; F598-L601 PolarHBondContact O-N 2.86Å
599	K	37.3	Very low	39.7	Very low	151 Å²	151	109.5 Å²	109.5	66%	0.657	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-58.4	-20.2	175.5	-94.9	170.8	178.4	160.1	0	114.8	D596 L597	D596-K599 IonicContact OD1-NZ 2.73Å; D596-K599 PolarHBondContact OD1-NZ 3.03Å; L597-K599 VanDerWaalsContact C-N 3.3Å; L597-K599 PolarHBondContact O-N 3.29Å
600	N	37.9	Very low	39.7	Very low	144 Å²	144	108.9 Å²	108.9	77%	0.77	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-104.9	1.3	-171.8	-64.8	-6.7	0	0	0	114.6	F598	F598-N600 PolarHBondContact O-N 3.06Å; F598-N600 VanDerWaalsContact O-N 3.08Å
601	L	39.2	Very low	39.6	Very low	96 Å²	96	106.2 Å²	106.2	50%	0.503	51%	0.513	S	S	.	.			trans	-113.8	100.2	176.9	-79.1	165.9	0	0	0	109.9	F598 E603	F598-L601 HydrophobicContact CD1-CD1 4.19Å; F598-L601 HydrophobicContact CE1-CD1 4.27Å; F598-L601 PolarHBondContact O-N 2.86Å; L601-E603 VanDerWaalsContact C-N 3.26Å; L601-E603 PolarHBondContact O-N 3.19Å
602	P	38.5	Very low	39.6	Very low	84 Å²	84	106.4 Å²	106.4	55%	0.545	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-4.2	-167.8	27	-33.1	0	0	0	115.8
603	E	42	Very low	39.3	Very low	112 Å²	112	101.8 Å²	101.8	52%	0.523	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-8.5	-163.6	-66	-179.6	172.5	0	0	115.8	L601	L601-E603 VanDerWaalsContact C-N 3.26Å; L601-E603 PolarHBondContact O-N 3.19Å
604	Y	38.6	Very low	39.2	Very low	101 Å²	101	98.8 Å²	98.8	40%	0.396	49%	0.49	S	S	.	.			trans	-131.7	136.6	-170.5	-60.6	-83.8	0	0	0	113.6
605	Q	45.1	Very low	38.9	Very low	75 Å²	75	100.7 Å²	100.7	35%	0.35	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.4	165.4	-75.7	-173.2	-14.6	0	0	110.1	I560 L633	I560-Q605 HydrophobicContact CD1-CB 4.14Å; I560-Q605 WeakPolarHBondContact CD1-O 3.45Å; I560-Q605 WeakPolarHBondContact CG1-O 3.35Å; Q605-L633 HydrophobicContact CB-CD2 4.15Å; Q605-L633 HydrophobicContact CG-CD2 3.95Å
606	C	38.3	Very low	38.5	Very low	85 Å²	85	104.1 Å²	104.1	57%	0.574	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	135.7	173.8	-67.2	0	0	0	0	110.7
607	I	44.2	Very low	37.9	Very low	20 Å²	20	103.5 Å²	103.5	10%	0.103	50%	0.502	C	S	.	.			trans	-81.8	129	175	-54.4	-176.7	0	0	0	110.2	I560 F609 F631	I560-I607 HydrophobicContact CD1-CD1 3.91Å; I560-I607 HydrophobicContact CD1-CG1 3.26Å; I560-I607 HydrophobicContact CG1-CD1 4.03Å; I560-I607 HydrophobicContact CG1-CG1 3.81Å; I607-F609 HydrophobicContact CG2-CE1 4.47Å; I607-F609 HydrophobicContact CG2-CZ 4.49Å; I607-F631 HydrophobicContact CD1-CE1 3.74Å; I607-F631 HydrophobicContact CD1-CZ 4.34Å; I607-F631 HydrophobicContact CG1-CE1 3.92Å; I607-F631 HydrophobicContact CG1-CZ 4.47Å
608	L	39	Very low	37.5	Very low	115 Å²	115	102.9 Å²	102.9	60%	0.602	51%	0.509	S	S	*	.			trans	-83.4	114.1	157.2	-108.3	89.8	0	0	0	109.6
609	F	40.4	Very low	37.1	Very low	36 Å²	36	104.1 Å²	104.1	16%	0.158	52%	0.52	C	S	.	.			trans	-72.6	129.9	168.9	-69.5	-77.7	0	0	0	110	L540 C558 I607 W626	L540-F609 HydrophobicContact CD1-CE1 4.06Å; L540-F609 HydrophobicContact CD1-CZ 4.34Å; C558-F609 HydrophobicContact CB-CZ 4.46Å; I607-F609 HydrophobicContact CG2-CE1 4.47Å; I607-F609 HydrophobicContact CG2-CZ 4.49Å; F609-W626 HydrophobicContact CB-CE3 4.16Å; F609-W626 HydrophobicContact CD1-CB 3.97Å; F609-W626 HydrophobicContact CD1-CE3 4.42Å; F609-W626 HydrophobicContact CD2-CE3 4.45Å; F609-W626 HydrophobicContact CE1-CB 4.08Å; F609-W626 HydrophobicContact CG-CE3 4.09Å
610	K	36.2	Very low	37.2	Very low	155 Å²	155	104 Å²	104	67%	0.674	53%	0.527	S	S	*	.			trans	-91.3	-21	-168.3	-133.2	174.1	-174.2	176.3	0	113.8	I627 Q629	K610-I627 PolarHBondContact N-O 3.32Å; K610-Q629 HydrophobicContact CD-CG 4.41Å
611	Q	35.1	Very low	37.2	Very low	124 Å²	124	99.2 Å²	99.2	58%	0.579	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159	136.2	180	-161.8	167	2.4	0	0	111	I613	Q611-I613 HydrophobicContact CG-CG1 4.23Å
612	I	38.4	Very low	37.3	Very low	70 Å²	70	97.8 Å²	97.8	36%	0.359	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.4	166.7	-51.9	-179	0	0	0	106.9	F584 W626	F584-I612 HydrophobicContact CE1-CD1 4.27Å; I612-W626 HydrophobicContact CD1-CE3 4.44Å; I612-W626 HydrophobicContact CD1-CH2 3.53Å; I612-W626 HydrophobicContact CD1-CZ3 3.47Å; I612-W626 VanDerWaalsContact CD1-CZ3 3.47Å; I612-W626 HydrophobicContact CG1-CE3 3.95Å; I612-W626 HydrophobicContact CG1-CH2 3.93Å; I612-W626 HydrophobicContact CG1-CZ3 3.44Å; I612-W626 VanDerWaalsContact CG1-CZ3 3.44Å
613	I	32.7	Very low	37.6	Very low	52 Å²	52	95.6 Å²	95.6	27%	0.267	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	100.2	172.8	-54.3	-178.2	0	0	0	108.6	Q611 H615 I625 I627	Q611-I613 HydrophobicContact CG-CG1 4.23Å; I613-H615 VanDerWaalsContact CG2-CD2 3.44Å; I613-H615 WeakPolarHBondContact CG2-CD2 3.48Å; I613-H615 PolarHBondContact O-N 2.88Å; I613-I625 HydrophobicContact CB-CB 4.48Å; I613-I625 PolarHBondContact N-O 2.82Å; I613-I627 HydrophobicContact CD1-CD1 3.79Å
614	H	34.6	Very low	37.5	Very low	139 Å²	139	91 Å²	91	64%	0.644	46%	0.456	S	S	*	.			trans	-81.7	88.8	169.1	-81.3	-74.8	0	0	0	110.4	R616	H614-R616 PolarHBondContact O-N 3.3Å
615	H	33.6	Very low	37.6	Very low	114 Å²	114	88 Å²	88	53%	0.528	45%	0.446	S	S	.	.			trans	-80.8	99.4	165.8	-95.5	-71.7	0	0	0	110.6	I613 T617	I613-H615 VanDerWaalsContact CG2-CD2 3.44Å; I613-H615 WeakPolarHBondContact CG2-CD2 3.48Å; I613-H615 PolarHBondContact O-N 2.88Å; H615-T617 PolarHBondContact O-N 3.34Å
616	R	29.8	Very low	37.5	Very low	203 Å²	203	85.2 Å²	85.2	77%	0.766	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-75	100.3	155.7	-80	-173.8	178.4	176.6	0.9	108.1	H614 E654	H614-R616 PolarHBondContact O-N 3.3Å; R616-E654 IonicContact NH2-OE1 3.89Å; R616-E654 IonicContact NH2-OE2 3.46Å; R616-E654 PolarHBondContact NH2-OE2 2.88Å
617	T	30.6	Very low	37.5	Very low	71 Å²	71	82.6 Å²	82.6	44%	0.436	41%	0.413	S	S	.	.			trans	-79.7	152	162.6	55.2	0	0	0	0	109.2	H615 N619	H615-T617 PolarHBondContact O-N 3.34Å; T617-N619 PolarHBondContact O-N 3.48Å
618	S	34.2	Very low	37.4	Very low	124 Å²	124	81.8 Å²	81.8	87%	0.867	41%	0.409	S	S	*	.	S	Bend	trans	-64.5	-2.1	-174.8	49.8	0	0	0	0	115.2
619	N	33.6	Very low	37.3	Very low	115 Å²	115	81.3 Å²	81.3	62%	0.615	40%	0.404	S	S	*	.	S	Bend	trans	-119.2	69.3	-176.9	-79.3	-35	0	0	0	112.2	T617 N621	T617-N619 PolarHBondContact O-N 3.48Å; N619-N621 PolarHBondContact O-N 2.78Å; N619-N621 PolarHBondContact O-OD1 2.88Å
620	N	38.4	Very low	37.4	Very low	150 Å²	150	81.6 Å²	81.6	80%	0.802	41%	0.409	S	S	*	.	S	Bend	trans	48.9	6.6	159.9	-90.8	-18.5	0	0	0	120.2	R544	R544-N620 PolarHBondContact NH1-O 2.85Å
621	N	38.7	Very low	37.8	Very low	42 Å²	42	76.7 Å²	76.7	23%	0.225	39%	0.388	C	S	.	.			trans	-96.4	113.7	-175.4	-69	-7.3	0	0	0	110.6	N619 H623	N619-N621 PolarHBondContact O-N 2.78Å; N619-N621 PolarHBondContact O-OD1 2.88Å; N621-H623 VanDerWaalsContact CB-CD2 3.47Å; N621-H623 WeakPolarHBondContact CB-CD2 3.24Å; N621-H623 VanDerWaalsContact CB-NE2 3.33Å; N621-H623 WeakPolarHBondContact CB-NE2 3.21Å; N621-H623 PolarHBondContact O-N 2.82Å; N621-H623 VanDerWaalsContact O-N 3.11Å
622	N	41.8	Very low	38.2	Very low	66 Å²	66	74.1 Å²	74.1	35%	0.353	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-80.8	89.9	172.4	-70.3	7.2	0	0	0	109.1	F552	F552-N622 WeakPolarHBondContact CE1-ND2 3.33Å
623	H	43.5	Very low	38.7	Very low	39 Å²	39	71.8 Å²	71.8	18%	0.181	36%	0.364	C	S	.	.			trans	-88	142.2	167.9	-64.4	-97.3	0	0	0	109.9	K542 N621	K542-H623 PolarHBondContact O-ND1 2.82Å; N621-H623 VanDerWaalsContact CB-CD2 3.47Å; N621-H623 WeakPolarHBondContact CB-CD2 3.24Å; N621-H623 VanDerWaalsContact CB-NE2 3.33Å; N621-H623 WeakPolarHBondContact CB-NE2 3.21Å; N621-H623 PolarHBondContact O-N 2.82Å; N621-H623 VanDerWaalsContact O-N 3.11Å
624	S	40.4	Very low	39.1	Very low	15 Å²	15	78.5 Å²	78.5	11%	0.105	39%	0.391	C	S	.	.			trans	-127.7	114.9	170.2	63	0	0	0	0	108.1
625	I	41.1	Very low	39.5	Very low	37 Å²	37	77.9 Å²	77.9	19%	0.19	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.6	-179.7	-60.1	172.8	0	0	0	108.3	T539 L540 I613 I627	T539-I625 HydrophobicContact CG2-CG2 3.57Å; L540-I625 WeakPolarHBondContact O-CA 3.11Å; I613-I625 HydrophobicContact CB-CB 4.48Å; I613-I625 PolarHBondContact N-O 2.82Å; I625-I627 HydrophobicContact CG2-CG1 4.48Å
626	W	43.4	Very low	40	Very low	17 Å²	17	74.2 Å²	74.2	6%	0.064	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.1	-177.8	-59.2	84.4	0	0	0	109.5	L540 I555 F584 F609 I612	L540-W626 HydrophobicContact CB-CB 4.29Å; L540-W626 HydrophobicContact CD1-CB 4.49Å; L540-W626 PolarHBondContact N-O 3.23Å; L540-W626 PolarHBondContact O-N 2.76Å; I555-W626 HydrophobicContact CD1-CD2 4.33Å; I555-W626 HydrophobicContact CD1-CG 4.2Å; F584-W626 HydrophobicContact CE1-CZ3 4Å; F584-W626 HydrophobicContact CZ-CH2 4.01Å; F584-W626 AromaticContact CZ-CZ3 3.59Å; F584-W626 HydrophobicContact CZ-CZ3 3.59Å; F609-W626 HydrophobicContact CB-CE3 4.16Å; F609-W626 HydrophobicContact CD1-CB 3.97Å; F609-W626 HydrophobicContact CD1-CE3 4.42Å; F609-W626 HydrophobicContact CD2-CE3 4.45Å; F609-W626 HydrophobicContact CE1-CB 4.08Å; F609-W626 HydrophobicContact CG-CE3 4.09Å; I612-W626 HydrophobicContact CD1-CE3 4.44Å; I612-W626 HydrophobicContact CD1-CH2 3.53Å; I612-W626 HydrophobicContact CD1-CZ3 3.47Å; I612-W626 VanDerWaalsContact CD1-CZ3 3.47Å; I612-W626 HydrophobicContact CG1-CE3 3.95Å; I612-W626 HydrophobicContact CG1-CH2 3.93Å; I612-W626 HydrophobicContact CG1-CZ3 3.44Å; I612-W626 VanDerWaalsContact CG1-CZ3 3.44Å
627	I	38.5	Very low	40.3	Very low	30 Å²	30	70 Å²	70	15%	0.154	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125	-179.4	-54.4	176.6	0	0	0	109.9	K537 V538 K610 I613 I625	K537-I627 HydrophobicContact CB-CG2 4.18Å; K537-I627 HydrophobicContact CD-CG2 4.38Å; V538-I627 VanDerWaalsContact O-CA 3.31Å; V538-I627 WeakPolarHBondContact O-CA 3.4Å; K610-I627 PolarHBondContact N-O 3.32Å; I613-I627 HydrophobicContact CD1-CD1 3.79Å; I625-I627 HydrophobicContact CG2-CG1 4.48Å
628	S	40.7	Very low	40.9	Very low	3 Å²	3	70.8 Å²	70.8	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.4	170.3	63.7	0	0	0	0	111.6	V538	V538-S628 WeakPolarHBondContact CB-OG 3.49Å; V538-S628 PolarHBondContact N-O 2.86Å; V538-S628 PolarHBondContact O-N 2.78Å
629	Q	37.9	Very low	41.5	Very low	105 Å²	105	68.3 Å²	68.3	49%	0.491	35%	0.353	S	S	.	.			trans	-89.7	142.3	167.6	-62.6	-170.3	-91.9	0	0	108.8	K610	K610-Q629 HydrophobicContact CD-CG 4.41Å
630	P	41.5	Very low	42.3	Very low	43 Å²	43	67 Å²	67	28%	0.279	35%	0.347	S	S	.	.			trans	-65	152.6	173.1	30.1	-36.4	0	0	0	110.7	I535 E536 V538	I535-P630 HydrophobicContact CG2-CG 4.04Å; E536-P630 WeakPolarHBondContact O-CD 3.31Å; E536-P630 VanDerWaalsContact O-CG 3.28Å; E536-P630 WeakPolarHBondContact O-CG 3.2Å; V538-P630 HydrophobicContact CG2-CB 4.43Å
631	F	44.9	Very low	42.8	Very low	51 Å²	51	60.1 Å²	60.1	22%	0.224	31%	0.31	C	S	.	.			trans	-147.8	160	-179	60.9	-82.8	0	0	0	108.6	I560 I607 V642	I560-F631 HydrophobicContact CB-CZ 4.37Å; I560-F631 HydrophobicContact CD1-CD2 4.35Å; I560-F631 HydrophobicContact CD1-CE1 3.8Å; I560-F631 HydrophobicContact CD1-CE2 3.53Å; I560-F631 HydrophobicContact CD1-CZ 3.24Å; I560-F631 HydrophobicContact CG1-CE2 4.37Å; I560-F631 HydrophobicContact CG1-CZ 3.86Å; I560-F631 HydrophobicContact CG2-CE2 3.75Å; I560-F631 HydrophobicContact CG2-CZ 3.66Å; I607-F631 HydrophobicContact CD1-CE1 3.74Å; I607-F631 HydrophobicContact CD1-CZ 4.34Å; I607-F631 HydrophobicContact CG1-CE1 3.92Å; I607-F631 HydrophobicContact CG1-CZ 4.47Å; F631-V642 HydrophobicContact CE2-CG1 4.17Å; F631-V642 HydrophobicContact CZ-CG1 3.98Å
632	H	44.2	Very low	43.4	Very low	70 Å²	70	58.9 Å²	58.9	32%	0.324	30%	0.304	S	S	.	.			trans	-116.1	138.5	175.4	-77.5	-82.7	0	0	0	111.2	K634 S689 N691	H632-K634 PolarHBondContact O-N 3.37Å; H632-S689 VanDerWaalsContact CE1-CB 3.46Å; H632-S689 WeakPolarHBondContact CE1-CB 3.29Å; H632-S689 PolarHBondContact CE1-O 2.03Å; H632-S689 PolarHBondContact CE1-OG 2.77Å; H632-S689 PolarHBondContact NE2-OG 2.8Å; H632-S689 VanDerWaalsContact NE2-OG 3.12Å; H632-N691 PolarHBondContact CE1-ND2 3.12Å; H632-N691 PolarHBondContact NE2-ND2 2.65Å; H632-N691 VanDerWaalsContact NE2-ND2 3.19Å; H632-N691 PolarHBondContact NE2-OD1 3.05Å
633	L	48.7	Very low	43.9	Very low	21 Å²	21	56.9 Å²	56.9	11%	0.11	29%	0.291	C	S	.	.			trans	-75.4	103.6	170.1	-67.4	171.5	0	0	0	109.3	Q605 N635 V636 V642	Q605-L633 HydrophobicContact CB-CD2 4.15Å; Q605-L633 HydrophobicContact CG-CD2 3.95Å; L633-N635 PolarHBondContact O-N 3.44Å; L633-V636 HydrophobicContact CB-CB 3.87Å; L633-V636 HydrophobicContact CB-CG2 3.69Å; L633-V636 HydrophobicContact CD1-CG2 4.11Å; L633-V636 PolarHBondContact O-N 3.02Å; L633-V636 VanDerWaalsContact O-N 3.09Å; L633-V642 HydrophobicContact CD1-CG2 4.31Å
634	K	41.4	Very low	44.5	Very low	194 Å²	194	55.3 Å²	55.3	84%	0.843	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.7	-168.4	-78.8	-171.1	172.3	-174.3	0	116.7	H632	H632-K634 PolarHBondContact O-N 3.37Å
635	N	42.2	Very low	45.2	Very low	125 Å²	125	55.2 Å²	55.2	67%	0.668	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	4	-179.6	-69.3	-1.2	0	0	0	113.6	L633 S637	L633-N635 PolarHBondContact O-N 3.44Å; N635-S637 PolarHBondContact O-N 3.19Å
636	V	44.3	Very low	45.7	Very low	38 Å²	38	53.5 Å²	53.5	23%	0.23	28%	0.275	C	S	.	.			trans	-105.8	58.8	-174.7	-172.5	0	0	0	0	109.2	L633 L638 Y639	L633-V636 HydrophobicContact CB-CB 3.87Å; L633-V636 HydrophobicContact CB-CG2 3.69Å; L633-V636 HydrophobicContact CD1-CG2 4.11Å; L633-V636 PolarHBondContact O-N 3.02Å; L633-V636 VanDerWaalsContact O-N 3.09Å; V636-L638 PolarHBondContact O-N 3.48Å; V636-Y639 HydrophobicContact CG1-CD2 3.63Å; V636-Y639 HydrophobicContact CG1-CG 4.31Å; V636-Y639 PolarHBondContact O-N 3.48Å
637	S	37.1	Very low	46.2	Very low	115 Å²	115	52.8 Å²	52.8	80%	0.804	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.8	-173.9	54.4	0	0	0	0	115.1	N635	N635-S637 PolarHBondContact O-N 3.19Å
638	L	41.8	Very low	46.7	Very low	87 Å²	87	51.5 Å²	51.5	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-18.1	179.9	-75.6	158.4	0	0	0	113.6	H481 V636	H481-L638 PolarHBondContact NE2-O 3.34Å; V636-L638 PolarHBondContact O-N 3.48Å
639	Y	47.7	Very low	47.2	Very low	71 Å²	71	56.1 Å²	56.1	28%	0.278	28%	0.283	S	S	.	.			trans	-129.3	111.4	-170.4	-52.1	-85.6	0	0	0	111	H481 V636 S641	H481-Y639 AromaticContact CE1-CD1 3.96Å; V636-Y639 HydrophobicContact CG1-CD2 3.63Å; V636-Y639 HydrophobicContact CG1-CG 4.31Å; V636-Y639 PolarHBondContact O-N 3.48Å; Y639-S641 PolarHBondContact O-N 2.91Å
640	N	50.2	Low	47.7	Very low	89 Å²	89	52.2 Å²	52.2	48%	0.476	27%	0.266	S	S	.	.	S	Bend	trans	-80.7	1.2	172.6	-79.8	-13.1	0	0	0	113.1
641	S	48.2	Very low	48	Very low	5 Å²	5	50.8 Å²	50.8	4%	0.035	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.6	176.4	52.5	0	0	0	0	110.9	Y639	Y639-S641 PolarHBondContact O-N 2.91Å
642	V	51.5	Low	48.1	Very low	15 Å²	15	53.3 Å²	53.3	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.9	-177.6	169.9	0	0	0	0	109.1	I560 F631 L633 I686 M687	I560-V642 HydrophobicContact CG2-CG1 3.19Å; F631-V642 HydrophobicContact CE2-CG1 4.17Å; F631-V642 HydrophobicContact CZ-CG1 3.98Å; L633-V642 HydrophobicContact CD1-CG2 4.31Å; V642-I686 WeakPolarHBondContact O-CA 3.03Å; V642-M687 HydrophobicContact CB-CB 4.09Å; V642-M687 HydrophobicContact CG1-CB 4.45Å; V642-M687 PolarHBondContact N-O 2.75Å; V642-M687 PolarHBondContact O-N 3.12Å
643	Y	53.4	Low	48.4	Very low	24 Å²	24	53.5 Å²	53.5	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.6	-177.8	-59.6	-97.1	0	0	0	110.4	T464 I560 N561 G562 Q563 L685 I686	T464-Y643 PolarHBondContact OG1-OH 3.1Å; I560-Y643 CarbonylContact C-O 3.52Å; I560-Y643 WeakPolarHBondContact CA-O 3.37Å; N561-Y643 PolarHBondContact N-O 3.16Å; N561-Y643 PolarHBondContact O-N 3.31Å; G562-Y643 WeakPolarHBondContact O-CE2 3.3Å; Q563-Y643 VanDerWaalsContact C-CD2 3.48Å; Y643-L685 CarbonylContact C-O 3.43Å; Y643-L685 VanDerWaalsContact CA-O 3.3Å; Y643-L685 WeakPolarHBondContact CA-O 3.48Å; Y643-I686 HydrophobicContact CD1-CD1 4.25Å; Y643-I686 HydrophobicContact CD1-CG1 3.82Å; Y643-I686 HydrophobicContact CE1-CD1 3.63Å; Y643-I686 HydrophobicContact CE1-CG1 3.73Å
644	S	54.6	Low	48.3	Very low	7 Å²	7	56.4 Å²	56.4	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.7	176.9	155.9	0	0	0	0	111.4	L559 I683 P684 L685	L559-S644 CarbonylContact O-C 3.56Å; L559-S644 WeakPolarHBondContact O-CA 3.17Å; S644-I683 VanDerWaalsContact O-O 3.05Å; S644-P684 CarbonylContact O-C 3.48Å; S644-P684 VanDerWaalsContact O-CA 3.3Å; S644-P684 WeakPolarHBondContact O-CA 3.16Å; S644-L685 PolarHBondContact N-O 3.14Å; S644-L685 WeakPolarHBondContact O-CB 3.25Å; S644-L685 PolarHBondContact O-N 3.1Å
645	T	55.8	Low	48.5	Very low	13 Å²	13	53.3 Å²	53.3	8%	0.08	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108	177.3	-59	0	0	0	0	111	C558 L559 Y682 I683	C558-T645 WeakPolarHBondContact CA-O 3.43Å; L559-T645 PolarHBondContact N-O 3.19Å; L559-T645 PolarHBondContact O-N 3.28Å; T645-Y682 HydrophobicContact CG2-CD1 4.01Å; T645-Y682 HydrophobicContact CG2-CG 4.49Å; T645-I683 CarbonylContact C-O 3.53Å; T645-I683 VanDerWaalsContact CA-O 3.27Å; T645-I683 WeakPolarHBondContact CA-O 3.47Å
646	C	51.7	Low	48.7	Very low	1 Å²	1	53.2 Å²	53.2	1%	0.007	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.4	178.7	-62	0	0	0	0	113	I555 Y557 C558 Y682 I683	I555-C646 HydrophobicContact CG2-CB 4.32Å; Y557-C646 CarbonylContact O-C 3.54Å; Y557-C646 WeakPolarHBondContact O-CA 3.4Å; C558-C646 HydrophobicContact CB-CB 4.09Å; C558-C646 WeakPolarHBondContact CB-SG 3.45Å; C558-C646 WeakPolarHBondContact SG-CB 3.22Å; C558-C646 CovalentContact SG-SG 2.05Å; C558-C646 PolarHBondContact SG-SG 2.04Å; C646-Y682 WeakPolarHBondContact O-CA 3.07Å; C646-I683 PolarHBondContact N-O 3.16Å; C646-I683 PolarHBondContact O-N 3.32Å
647	L	54.3	Low	48.7	Very low	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.7	169.6	178.5	63.5	0	0	0	110.4	E556 Y557 K680 Y682	E556-L647 HydrophobicContact CB-CB 4.43Å; E556-L647 HydrophobicContact CB-CD2 4.14Å; E556-L647 HydrophobicContact CB-CG 4.23Å; E556-L647 HydrophobicContact CG-CD2 4.43Å; E556-L647 HydrophobicContact CG-CG 4.48Å; E556-L647 PolarHBondContact N-O 3.02Å; E556-L647 WeakPolarHBondContact OE2-CD2 3.11Å; Y557-L647 HydrophobicContact CD1-CB 4.24Å; Y557-L647 HydrophobicContact CD1-CD2 4.12Å; Y557-L647 HydrophobicContact CD2-CB 4.27Å; Y557-L647 HydrophobicContact CE1-CB 3.91Å; Y557-L647 HydrophobicContact CE1-CD2 3.34Å; Y557-L647 HydrophobicContact CE1-CG 4.24Å; Y557-L647 HydrophobicContact CE2-CB 3.9Å; Y557-L647 HydrophobicContact CG-CB 4.42Å; Y557-L647 PolarHBondContact O-N 2.92Å; L647-K680 HydrophobicContact CD1-CB 3.86Å; L647-K680 HydrophobicContact CD1-CD 4.27Å; L647-K680 HydrophobicContact CD1-CG 4.11Å; L647-Y682 HydrophobicContact CD1-CD1 4.43Å; L647-Y682 HydrophobicContact CD1-CE1 4.13Å
648	I	49.5	Very low	49	Very low	3 Å²	3	49.3 Å²	49.3	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.9	-172.3	-50.4	-178.4	0	0	0	111.9	I518 I553 L554 I555 V681 I683	I518-I648 HydrophobicContact CD1-CB 4.09Å; I518-I648 HydrophobicContact CD1-CG2 3.76Å; I518-I648 HydrophobicContact CG1-CG2 4.5Å; I518-I648 HydrophobicContact CG2-CB 4.45Å; I518-I648 HydrophobicContact CG2-CD1 3.67Å; I518-I648 HydrophobicContact CG2-CG2 3.95Å; I553-I648 HydrophobicContact CG2-CG2 3.23Å; L554-I648 WeakPolarHBondContact O-CA 3.4Å; L554-I648 WeakPolarHBondContact O-CG2 3.49Å; I555-I648 HydrophobicContact CG1-CG1 4.39Å; I648-V681 PolarHBondContact N-O 3.36Å; I648-V681 VanDerWaalsContact N-O 3.12Å; I648-I683 HydrophobicContact CD1-CD1 3.57Å; I648-I683 HydrophobicContact CD1-CG1 4.17Å
649	R	51.2	Low	48.9	Very low	100 Å²	100	51.6 Å²	51.6	38%	0.377	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.7	177.6	179.7	-177.9	-62.5	-162.3	3	111.3	I553 L554 E556	I553-R649 CarbonylContact C-O 3.55Å; I553-R649 VanDerWaalsContact CA-O 3.31Å; I553-R649 WeakPolarHBondContact CA-O 3.45Å; I553-R649 VanDerWaalsContact CG2-O 3.27Å; I553-R649 WeakPolarHBondContact CG2-O 3.1Å; L554-R649 HydrophobicContact CB-CB 4.46Å; L554-R649 PolarHBondContact N-O 3.03Å; L554-R649 PolarHBondContact O-N 3.12Å; E556-R649 HydrophobicContact CG-CB 4.08Å; E556-R649 WeakPolarHBondContact OE1-CB 3.06Å; E556-R649 IonicContact OE1-CZ 3.75Å; E556-R649 IonicContact OE1-NE 3.38Å; E556-R649 PolarHBondContact OE1-NE 3.44Å; E556-R649 IonicContact OE1-NH2 2.7Å; E556-R649 PolarHBondContact OE1-NH2 3.07Å; E556-R649 IonicContact OE2-NH2 3.36Å
650	V	47.8	Very low	48.3	Very low	22 Å²	22	49.5 Å²	49.5	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.4	174.9	-173.7	0	0	0	0	110.4	P516 I518 K551 F552 I553	P516-V650 HydrophobicContact CB-CG1 4.34Å; P516-V650 HydrophobicContact CB-CG2 4.48Å; I518-V650 HydrophobicContact CD1-CG2 3.56Å; I518-V650 HydrophobicContact CG1-CG2 3.96Å; K551-V650 HydrophobicContact CB-CG1 3.88Å; K551-V650 HydrophobicContact CD-CG1 3.79Å; K551-V650 HydrophobicContact CG-CG1 4.27Å; F552-V650 CarbonylContact O-C 3.43Å; F552-V650 WeakPolarHBondContact O-CA 3.31Å; I553-V650 HydrophobicContact CG1-CG1 4.32Å; I553-V650 HydrophobicContact CG1-CG2 4.37Å; I553-V650 HydrophobicContact CG2-CG2 4.04Å
651	C	47.7	Very low	47.4	Very low	13 Å²	13	49.4 Å²	49.4	9%	0.088	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	156.2	174	-43.7	0	0	0	0	110.9	K551 F552 F656 C657	K551-C651 CarbonylContact C-O 3.54Å; K551-C651 WeakPolarHBondContact CA-O 3.36Å; F552-C651 HydrophobicContact CB-CB 4.35Å; F552-C651 PolarHBondContact N-O 2.82Å; F552-C651 PolarHBondContact O-N 3.21Å; C651-F656 HydrophobicContact CB-CB 4.2Å; C651-C657 HydrophobicContact CB-CB 3.97Å; C651-C657 WeakPolarHBondContact CB-SG 3.39Å; C651-C657 WeakPolarHBondContact SG-CA 3.27Å; C651-C657 WeakPolarHBondContact SG-CB 3.02Å; C651-C657 PolarHBondContact SG-N 2.89Å; C651-C657 CovalentContact SG-SG 2.05Å; C651-C657 PolarHBondContact SG-SG 2.88Å
652	Q	46.1	Very low	46.6	Very low	104 Å²	104	56.9 Å²	56.9	49%	0.486	27%	0.269	S	S	.	.	S	Bend	trans	-86.7	-19.5	174.2	-72.6	-177.8	-15.4	0	0	114.5	S550	S550-Q652 CarbonylContact C-O 3.52Å; S550-Q652 CarbonylContact O-C 3.54Å; S550-Q652 PolarHBondContact OG-O 2.03Å
653	I	51.4	Low	45.6	Very low	75 Å²	75	64 Å²	64	39%	0.385	30%	0.295	S	S	.	.	S	Bend	trans	-137.7	146.2	-178.6	-50	-176.7	0	0	0	108.3	Q655 F656 C657	I653-Q655 HydrophobicContact CG2-CB 4Å; I653-Q655 PolarHBondContact O-N 3.5Å; I653-F656 HydrophobicContact CB-CD2 3.64Å; I653-F656 HydrophobicContact CB-CE2 4.25Å; I653-F656 HydrophobicContact CB-CG 4.4Å; I653-F656 HydrophobicContact CD1-CD2 3.89Å; I653-F656 HydrophobicContact CD1-CE2 3.56Å; I653-F656 HydrophobicContact CG1-CD2 3.67Å; I653-F656 HydrophobicContact CG1-CE2 3.86Å; I653-F656 PolarHBondContact O-N 2.03Å; I653-C657 PolarHBondContact O-N 3.44Å
654	E	45.7	Very low	44.7	Very low	81 Å²	81	66.1 Å²	66.1	38%	0.379	31%	0.314	S	S	.	.	H	α-helix	trans	-53.5	-47.3	176.7	-155.5	159.1	-171.9	0	0	109.1	F552 R616 F656 C657 T658	F552-E654 HydrophobicContact CD1-CB 3.76Å; F552-E654 HydrophobicContact CD1-CG 3.7Å; F552-E654 HydrophobicContact CD2-CB 4.28Å; F552-E654 HydrophobicContact CE1-CB 3.41Å; F552-E654 VanDerWaalsContact CE1-CB 3.41Å; F552-E654 VanDerWaalsContact CE1-CD 3.47Å; F552-E654 HydrophobicContact CE1-CG 3.44Å; F552-E654 VanDerWaalsContact CE1-CG 3.44Å; F552-E654 HydrophobicContact CE2-CB 3.98Å; F552-E654 HydrophobicContact CG-CB 4.19Å; F552-E654 HydrophobicContact CZ-CB 3.53Å; F552-E654 HydrophobicContact CZ-CG 4.09Å; R616-E654 IonicContact NH2-OE1 3.89Å; R616-E654 IonicContact NH2-OE2 3.46Å; R616-E654 PolarHBondContact NH2-OE2 2.88Å; E654-F656 VanDerWaalsContact C-N 3.26Å; E654-F656 PolarHBondContact O-N 3.06Å; E654-C657 PolarHBondContact O-N 3.07Å; E654-T658 PolarHBondContact O-N 3.19Å; E654-T658 PolarHBondContact O-OG1 2.98Å
655	Q	46.5	Very low	43.6	Very low	129 Å²	129	73 Å²	73	60%	0.603	34%	0.343	S	S	*	.	H	α-helix	trans	-56.1	-28.6	173.1	-72.1	179.2	-23	0	0	114.6	I653 T658 Y659	I653-Q655 HydrophobicContact CG2-CB 4Å; I653-Q655 PolarHBondContact O-N 3.5Å; Q655-T658 WeakPolarHBondContact CA-OG1 3.28Å; Q655-Y659 WeakPolarHBondContact O-CA 3.27Å; Q655-Y659 WeakPolarHBondContact O-CB 3.33Å; Q655-Y659 WeakPolarHBondContact O-CD2 3.39Å; Q655-Y659 PolarHBondContact O-N 3.06Å
656	F	45.9	Very low	42.3	Very low	123 Å²	123	78.4 Å²	78.4	54%	0.539	37%	0.372	S	S	.	.	H	α-helix	trans	-79.1	-32	174.6	-76.8	-53.7	0	0	0	112.6	C651 I653 E654 A660	C651-F656 HydrophobicContact CB-CB 4.2Å; I653-F656 HydrophobicContact CB-CD2 3.64Å; I653-F656 HydrophobicContact CB-CE2 4.25Å; I653-F656 HydrophobicContact CB-CG 4.4Å; I653-F656 HydrophobicContact CD1-CD2 3.89Å; I653-F656 HydrophobicContact CD1-CE2 3.56Å; I653-F656 HydrophobicContact CG1-CD2 3.67Å; I653-F656 HydrophobicContact CG1-CE2 3.86Å; I653-F656 PolarHBondContact O-N 2.03Å; E654-F656 VanDerWaalsContact C-N 3.26Å; E654-F656 PolarHBondContact O-N 3.06Å; F656-A660 VanDerWaalsContact O-CB 3.23Å; F656-A660 WeakPolarHBondContact O-CB 3.31Å; F656-A660 PolarHBondContact O-N 3.07Å; F656-A660 VanDerWaalsContact O-N 3.08Å
657	C	44.9	Very low	41.3	Very low	11 Å²	11	89.2 Å²	89.2	7%	0.074	41%	0.412	C	S	.	.	H	α-helix	trans	-69.6	-41.4	170.4	-90.6	0	0	0	0	110.8	C651 I653 E654 A660 E661	C651-C657 HydrophobicContact CB-CB 3.97Å; C651-C657 WeakPolarHBondContact CB-SG 3.39Å; C651-C657 WeakPolarHBondContact SG-CA 3.27Å; C651-C657 WeakPolarHBondContact SG-CB 3.02Å; C651-C657 PolarHBondContact SG-N 2.89Å; C651-C657 CovalentContact SG-SG 2.05Å; C651-C657 PolarHBondContact SG-SG 2.88Å; I653-C657 PolarHBondContact O-N 3.44Å; E654-C657 PolarHBondContact O-N 3.07Å; C657-A660 PolarHBondContact O-N 3.47Å; C657-E661 WeakPolarHBondContact O-CG 3.44Å; C657-E661 PolarHBondContact O-N 3.19Å; C657-E661 VanDerWaalsContact O-N 3.14Å
658	T	44.3	Very low	40.1	Very low	60 Å²	60	94.8 Å²	94.8	37%	0.368	45%	0.446	S	S	.	.	H	α-helix	trans	-81.3	-25.9	178.6	59.8	0	0	0	0	114.4	E654 Q655 E661 F662	E654-T658 PolarHBondContact O-N 3.19Å; E654-T658 PolarHBondContact O-OG1 2.98Å; Q655-T658 WeakPolarHBondContact CA-OG1 3.28Å; T658-E661 WeakPolarHBondContact O-CB 3.45Å; T658-E661 PolarHBondContact O-N 3.12Å; T658-F662 PolarHBondContact O-N 2.79Å; T658-F662 VanDerWaalsContact O-N 3.14Å
659	Y	38.3	Very low	39.1	Very low	136 Å²	136	101.9 Å²	101.9	53%	0.533	48%	0.484	S	S	.	.	H	α-helix	trans	-68.8	-36.9	165.4	-99.9	-113.4	0	0	0	110.9	Q655 E661 F662 Y663	Q655-Y659 WeakPolarHBondContact O-CA 3.27Å; Q655-Y659 WeakPolarHBondContact O-CB 3.33Å; Q655-Y659 WeakPolarHBondContact O-CD2 3.39Å; Q655-Y659 PolarHBondContact O-N 3.06Å; Y659-E661 PolarHBondContact O-N 3.26Å; Y659-F662 PolarHBondContact O-N 2.75Å; Y659-F662 VanDerWaalsContact O-N 3.09Å; Y659-Y663 AromaticContact CD1-CD2 3.61Å; Y659-Y663 HydrophobicContact CD1-CD2 3.61Å; Y659-Y663 AromaticContact CD1-CE2 3.47Å; Y659-Y663 HydrophobicContact CD1-CE2 3.47Å; Y659-Y663 VanDerWaalsContact CD1-CE2 3.47Å; Y659-Y663 HydrophobicContact CE1-CD2 4.15Å; Y659-Y663 AromaticContact CE1-CE2 3.52Å; Y659-Y663 HydrophobicContact CE1-CE2 3.52Å; Y659-Y663 HydrophobicContact CG-CD2 4.45Å; Y659-Y663 WeakPolarHBondContact O-CB 3.34Å; Y659-Y663 PolarHBondContact O-N 2.58Å
660	A	34.6	Very low	38.2	Very low	26 Å²	26	106.6 Å²	106.6	22%	0.215	51%	0.507	C	S	.	.	H	α-helix	trans	-64	-30.4	172.8	0	0	0	0	0	111.9	F656 C657 S664	F656-A660 VanDerWaalsContact O-CB 3.23Å; F656-A660 WeakPolarHBondContact O-CB 3.31Å; F656-A660 PolarHBondContact O-N 3.07Å; F656-A660 VanDerWaalsContact O-N 3.08Å; C657-A660 PolarHBondContact O-N 3.47Å; A660-S664 PolarHBondContact O-OG 3.34Å
661	E	32.4	Very low	37.3	Very low	88 Å²	88	114.9 Å²	114.9	41%	0.411	55%	0.545	S	S	.	.	H	α-helix	trans	-65.7	-38.9	169.2	-70.5	171	157.4	0	0	112.6	K582 C657 T658 Y659	K582-E661 PolarHBondContact NZ-O 2.93Å; C657-E661 WeakPolarHBondContact O-CG 3.44Å; C657-E661 PolarHBondContact O-N 3.19Å; C657-E661 VanDerWaalsContact O-N 3.14Å; T658-E661 WeakPolarHBondContact O-CB 3.45Å; T658-E661 PolarHBondContact O-N 3.12Å; Y659-E661 PolarHBondContact O-N 3.26Å
662	F	30.2	Very low	36.4	Very low	161 Å²	161	124.3 Å²	124.3	71%	0.706	58%	0.58	S	S	*	*	H	α-helix	trans	-83.2	-33.4	-178	-105.3	-90.1	0	0	0	115.7	T658 Y659 F665	T658-F662 PolarHBondContact O-N 2.79Å; T658-F662 VanDerWaalsContact O-N 3.14Å; Y659-F662 PolarHBondContact O-N 2.75Å; Y659-F662 VanDerWaalsContact O-N 3.09Å; F662-F665 WeakPolarHBondContact O-CB 3.45Å; F662-F665 PolarHBondContact O-N 3.01Å
663	Y	31.9	Very low	35.6	Very low	164 Å²	164	127.3 Å²	127.3	64%	0.643	60%	0.599	S	S	*	*	H	α-helix	trans	-88.6	-20.7	-174.8	-93	-97.3	0	0	0	114.5	Y659 F665 N666	Y659-Y663 AromaticContact CD1-CD2 3.61Å; Y659-Y663 HydrophobicContact CD1-CD2 3.61Å; Y659-Y663 AromaticContact CD1-CE2 3.47Å; Y659-Y663 HydrophobicContact CD1-CE2 3.47Å; Y659-Y663 VanDerWaalsContact CD1-CE2 3.47Å; Y659-Y663 HydrophobicContact CE1-CD2 4.15Å; Y659-Y663 AromaticContact CE1-CE2 3.52Å; Y659-Y663 HydrophobicContact CE1-CE2 3.52Å; Y659-Y663 HydrophobicContact CG-CD2 4.45Å; Y659-Y663 WeakPolarHBondContact O-CB 3.34Å; Y659-Y663 PolarHBondContact O-N 2.58Å; Y663-F665 PolarHBondContact O-N 2.58Å; Y663-N666 PolarHBondContact O-N 2.76Å
664	S	33.9	Very low	34.9	Very low	70 Å²	70	128.4 Å²	128.4	49%	0.49	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	0.7	166.6	45	0	0	0	0	113	K582 A660	K582-S664 VanDerWaalsContact CE-OG 3.29Å; K582-S664 WeakPolarHBondContact CE-OG 3.4Å; K582-S664 PolarHBondContact NZ-OG 3.08Å; A660-S664 PolarHBondContact O-OG 3.34Å
665	F	31.8	Very low	34.2	Very low	152 Å²	152	134 Å²	134	67%	0.667	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-5.4	173.5	-116.2	-86.6	0	0	0	113.5	F662 Y663	F662-F665 WeakPolarHBondContact O-CB 3.45Å; F662-F665 PolarHBondContact O-N 3.01Å; Y663-F665 PolarHBondContact O-N 2.58Å
666	N	28.6	Very low	33.5	Very low	126 Å²	126	131.3 Å²	131.3	67%	0.674	63%	0.628	S	S	*	*	S	Bend	trans	-148	124.1	-174.8	-91.1	-49.4	0	0	0	112.7	Y663	Y663-N666 PolarHBondContact O-N 2.76Å
667	R	30	Very low	32.7	Very low	228 Å²	228	131.9 Å²	131.9	86%	0.86	64%	0.635	S	S	*	*			trans	82.5	122.3	176.6	-57	177.7	173.7	172.2	-2	114.4
668	T	29.3	Very low	32	Very low	118 Å²	118	136.6 Å²	136.6	72%	0.724	66%	0.656	S	S	*	*	S	Bend	cis	58.5	96.4	46	79.8	0	0	0	0	113.6
669	D	28.2	Very low	31.2	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	65%	0.651	S	S	*	*			trans	46.8	82.7	156.9	-52.5	-38.2	0	0	0	117.5
670	K	32.4	Very low	30.7	Very low	199 Å²	199	134.8 Å²	134.8	87%	0.865	65%	0.651	S	S	*	*			trans	-165.5	121.6	141.1	-106.1	145	-168	177.1	0	112.1	Y672	K670-Y672 PolarHBondContact O-N 2.99Å
671	Q	28.7	Very low	30.5	Very low	197 Å²	197	134.7 Å²	134.7	92%	0.921	65%	0.647	S	S	*	*			trans	-56.1	125.9	170.8	-68.5	172.4	-31	0	0	110.5
672	Y	29.9	Very low	30.4	Very low	211 Å²	211	134.6 Å²	134.6	83%	0.827	64%	0.644	S	S	*	*			trans	-127.2	110.5	166.3	-115.3	-93.8	0	0	0	109.7	K670 D674	K670-Y672 PolarHBondContact O-N 2.99Å; Y672-D674 PolarHBondContact O-N 2.84Å
673	N	29.6	Very low	30.4	Very low	166 Å²	166	128.3 Å²	128.3	89%	0.888	62%	0.617	S	S	*	*			trans	-73.7	86.8	171.7	-90.5	-28.2	0	0	0	109.4
674	D	34.8	Very low	30.2	Very low	99 Å²	99	122.5 Å²	122.5	53%	0.529	60%	0.6	S	S	.	*			trans	-88.6	109.3	176.2	-155.6	-39	0	0	0	111.1	Y672 S676	Y672-D674 PolarHBondContact O-N 2.84Å; D674-S676 VanDerWaalsContact CG-OG 3.27Å; D674-S676 PolarHBondContact O-N 2.79Å; D674-S676 VanDerWaalsContact OD1-CB 3.31Å; D674-S676 WeakPolarHBondContact OD1-CB 3.39Å; D674-S676 PolarHBondContact OD1-N 2.83Å; D674-S676 PolarHBondContact OD1-OG 2.88Å
675	Q	32.4	Very low	30.1	Very low	199 Å²	199	120.2 Å²	120.2	93%	0.93	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	4.8	-176.7	-67.3	-179.1	-22	0	0	113.9
676	S	30.7	Very low	29.9	Very low	72 Å²	72	114.2 Å²	114.2	50%	0.503	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.1	-6.9	-176.2	61.8	0	0	0	0	115.3	D674 Q678	D674-S676 VanDerWaalsContact CG-OG 3.27Å; D674-S676 PolarHBondContact O-N 2.79Å; D674-S676 VanDerWaalsContact OD1-CB 3.31Å; D674-S676 WeakPolarHBondContact OD1-CB 3.39Å; D674-S676 PolarHBondContact OD1-N 2.83Å; D674-S676 PolarHBondContact OD1-OG 2.88Å; S676-Q678 PolarHBondContact O-N 2.81Å
677	I	30	Very low	29.9	Very low	134 Å²	134	109.5 Å²	109.5	69%	0.687	53%	0.53	S	S	*	.			trans	-82.8	107.1	-175	-55.9	174.4	0	0	0	111.1
678	Q	30	Very low	29.8	Very low	110 Å²	110	103.3 Å²	103.3	51%	0.514	51%	0.514	S	S	.	.			trans	-91.2	-27.6	-172.7	-67.2	-163.7	-41.1	0	0	116.6	P516 S676	P516-Q678 HydrophobicContact CG-CB 4.31Å; S676-Q678 PolarHBondContact O-N 2.81Å
679	S	27.5	Very low	29.8	Very low	40 Å²	40	99.6 Å²	99.6	28%	0.28	49%	0.493	S	S	.	.			trans	-172.4	143.2	177.9	53.9	0	0	0	0	113.7
680	K	28.6	Very low	29.8	Very low	119 Å²	119	99.4 Å²	99.4	52%	0.517	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130	159.1	-76.7	-172.4	177.3	-174.3	0	108.4	L647	L647-K680 HydrophobicContact CD1-CB 3.86Å; L647-K680 HydrophobicContact CD1-CD 4.27Å; L647-K680 HydrophobicContact CD1-CG 4.11Å
681	V	29.3	Very low	29.5	Very low	24 Å²	24	94.4 Å²	94.4	15%	0.145	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.3	179.6	-177.6	0	0	0	0	110.4	I518 I648 I683	I518-V681 HydrophobicContact CD1-CB 4.09Å; I518-V681 HydrophobicContact CD1-CG2 3.88Å; I648-V681 PolarHBondContact N-O 3.36Å; I648-V681 VanDerWaalsContact N-O 3.12Å; V681-I683 HydrophobicContact CG1-CG1 4.27Å
682	Y	29.9	Very low	29.6	Very low	86 Å²	86	89.5 Å²	89.5	34%	0.337	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.7	177	-62.5	-84.4	0	0	0	110.3	T645 C646 L647	T645-Y682 HydrophobicContact CG2-CD1 4.01Å; T645-Y682 HydrophobicContact CG2-CG 4.49Å; C646-Y682 WeakPolarHBondContact O-CA 3.07Å; L647-Y682 HydrophobicContact CD1-CD1 4.43Å; L647-Y682 HydrophobicContact CD1-CE1 4.13Å
683	I	30.7	Very low	29.5	Very low	29 Å²	29	86.1 Å²	86.1	15%	0.149	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.6	178.1	-52.5	-176.7	0	0	0	111	I518 S644 T645 C646 I648 V681	I518-I683 HydrophobicContact CG2-CD1 4.26Å; S644-I683 VanDerWaalsContact O-O 3.05Å; T645-I683 CarbonylContact C-O 3.53Å; T645-I683 VanDerWaalsContact CA-O 3.27Å; T645-I683 WeakPolarHBondContact CA-O 3.47Å; C646-I683 PolarHBondContact N-O 3.16Å; C646-I683 PolarHBondContact O-N 3.32Å; I648-I683 HydrophobicContact CD1-CD1 3.57Å; I648-I683 HydrophobicContact CD1-CG1 4.17Å; V681-I683 HydrophobicContact CG1-CG1 4.27Å
684	P	27.8	Very low	29.5	Very low	42 Å²	42	85 Å²	85	27%	0.273	45%	0.445	S	S	.	.			trans	-78.8	147.8	170.8	33.3	-33.9	0	0	0	112.5	Y451 S644	Y451-P684 HydrophobicContact CD2-CG 4.43Å; Y451-P684 HydrophobicContact CG-CG 4.25Å; S644-P684 CarbonylContact O-C 3.48Å; S644-P684 VanDerWaalsContact O-CA 3.3Å; S644-P684 WeakPolarHBondContact O-CA 3.16Å
685	L	31	Very low	29.3	Very low	21 Å²	21	88 Å²	88	11%	0.11	46%	0.461	C	S	.	.			trans	-140.2	128.8	-176.8	-78.5	155.5	0	0	0	110.6	L540 Y643 S644	L540-L685 HydrophobicContact CD1-CD1 4.26Å; L540-L685 HydrophobicContact CD2-CD1 3.69Å; L540-L685 HydrophobicContact CD2-CD2 3.7Å; L540-L685 HydrophobicContact CD2-CG 4.34Å; Y643-L685 CarbonylContact C-O 3.43Å; Y643-L685 VanDerWaalsContact CA-O 3.3Å; Y643-L685 WeakPolarHBondContact CA-O 3.48Å; S644-L685 PolarHBondContact N-O 3.14Å; S644-L685 WeakPolarHBondContact O-CB 3.25Å; S644-L685 PolarHBondContact O-N 3.1Å
686	I	28.8	Very low	29	Very low	26 Å²	26	88.8 Å²	88.8	13%	0.133	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123	176.7	-61.3	-176.7	0	0	0	112.6	Y451 K522 V642 Y643 L688	Y451-I686 HydrophobicContact CE1-CD1 3.72Å; Y451-I686 HydrophobicContact CE1-CG1 4.21Å; K522-I686 PolarHBondContact NZ-O 3.03Å; V642-I686 WeakPolarHBondContact O-CA 3.03Å; Y643-I686 HydrophobicContact CD1-CD1 4.25Å; Y643-I686 HydrophobicContact CD1-CG1 3.82Å; Y643-I686 HydrophobicContact CE1-CD1 3.63Å; Y643-I686 HydrophobicContact CE1-CG1 3.73Å; I686-L688 HydrophobicContact CG2-CG 4.23Å
687	M	29.2	Very low	28.9	Very low	27 Å²	27	93.1 Å²	93.1	13%	0.133	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.4	164.7	-57.3	-97.6	57	0	0	108.7	V538 V642	V538-M687 HydrophobicContact CB-CE 4.12Å; V538-M687 HydrophobicContact CB-SD 4.2Å; V538-M687 HydrophobicContact CG1-CE 3.49Å; V538-M687 VanDerWaalsContact CG1-CE 3.49Å; V538-M687 HydrophobicContact CG1-SD 3.65Å; V538-M687 HydrophobicContact CG2-CE 3.5Å; V538-M687 VanDerWaalsContact CG2-CE 3.5Å; V538-M687 HydrophobicContact CG2-SD 3.63Å; V642-M687 HydrophobicContact CB-CB 4.09Å; V642-M687 HydrophobicContact CG1-CB 4.45Å; V642-M687 PolarHBondContact N-O 2.75Å; V642-M687 PolarHBondContact O-N 3.12Å
688	L	27.6	Very low	28.6	Very low	99 Å²	99	96 Å²	96	52%	0.518	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.3	168.1	-70.5	168.5	0	0	0	106.5	I686	I686-L688 HydrophobicContact CG2-CG 4.23Å
689	S	28.4	Very low	28.5	Very low	39 Å²	39	97.5 Å²	97.5	27%	0.273	50%	0.497	S	S	.	.			trans	-139	120.7	174.9	-170.1	0	0	0	0	109.4	H632 N691	H632-S689 VanDerWaalsContact CE1-CB 3.46Å; H632-S689 WeakPolarHBondContact CE1-CB 3.29Å; H632-S689 PolarHBondContact CE1-O 2.03Å; H632-S689 PolarHBondContact CE1-OG 2.77Å; H632-S689 PolarHBondContact NE2-OG 2.8Å; H632-S689 VanDerWaalsContact NE2-OG 3.12Å; S689-N691 PolarHBondContact O-N 2.02Å
690	N	28.1	Very low	28.4	Very low	148 Å²	148	101.6 Å²	101.6	79%	0.791	52%	0.516	S	S	*	.			trans	-97.7	93.8	-167.9	-155.5	9.6	0	0	0	110.3
691	N	27.4	Very low	28.2	Very low	94 Å²	94	104.7 Å²	104.7	50%	0.503	54%	0.537	S	S	.	.			trans	-73	123.1	169.8	-87.2	-39.8	0	0	0	109.9	H632 S689	H632-N691 PolarHBondContact CE1-ND2 3.12Å; H632-N691 PolarHBondContact NE2-ND2 2.65Å; H632-N691 VanDerWaalsContact NE2-ND2 3.19Å; H632-N691 PolarHBondContact NE2-OD1 3.05Å; S689-N691 PolarHBondContact O-N 2.02Å
692	N	30	Very low	28.1	Very low	94 Å²	94	108.2 Å²	108.2	50%	0.503	57%	0.569	S	S	.	*			trans	-167.4	82.8	143.9	-87.5	-43.7	0	0	0	110.1	R478	R478-N692 PolarHBondContact NH1-ND2 2.96Å
693	N	28.8	Very low	27.8	Very low	140 Å²	140	110.9 Å²	110.9	75%	0.749	58%	0.584	S	S	*	*			trans	-74.6	133.7	151.3	-79.9	-25	0	0	0	107.4
694	N	29.3	Very low	27.5	Very low	144 Å²	144	117.1 Å²	117.1	77%	0.77	62%	0.617	S	S	*	*	S	Bend	trans	67.5	88.3	-171.2	-48.5	-24.5	0	0	0	114.1
695	D	29.8	Very low	27.5	Very low	160 Å²	160	121.6 Å²	121.6	86%	0.856	63%	0.632	S	S	*	*				-174.2	148.9	108	-98.7	-29.4	0	0	0	113.6
696	R	26	Very low	27.3	Very low	216 Å²	216	125.7 Å²	125.7	82%	0.815	66%	0.66	S	S	*	*			trans	-82.4	110.4	172.5	-67.2	170	173.3	164.2	-4.3	109.2
697	N	27.9	Very low	27.1	Very low	164 Å²	164	130.4 Å²	130.4	88%	0.877	69%	0.692	S	S	*	*			trans	-177.6	157.6	135.2	-94.6	-30.1	0	0	0	113.8
698	K	24.8	Very low	27.1	Very low	194 Å²	194	133.4 Å²	133.4	84%	0.843	71%	0.708	S	S	*	*			trans	-63.6	139.9	-176.7	-57	163.5	179.2	170.8	0	112.6
699	T	27.9	Very low	27	Very low	142 Å²	142	132 Å²	132	87%	0.871	70%	0.701	S	S	*	*				-177.3	143.4	126.5	20.4	0	0	0	0	111.3
700	N	25.1	Very low	27	Very low	126 Å²	126	134.7 Å²	134.7	67%	0.674	71%	0.708	S	S	*	*			trans	-97.4	133.8	-179.5	-69.4	-25.7	0	0	0	110.6
701	L	25.5	Very low	26.9	Very low	184 Å²	184	133.6 Å²	133.6	96%	0.963	70%	0.702	S	S	*	*			trans	-154.7	97.7	162.1	-138.1	110.4	0	0	0	111.6
702	A	26.5	Very low	26.8	Very low	98 Å²	98	134.4 Å²	134.4	81%	0.81	71%	0.706	S	S	*	*			trans	-168.7	102.1	159.9	0	0	0	0	0	110.9
703	H	24	Very low	26.5	Very low	142 Å²	142	134.4 Å²	134.4	66%	0.657	71%	0.706	S	S	*	*			trans	-125.7	122.8	159.5	-81.5	-18.4	0	0	0	107.6	K251	K251-H703 PolarHBondContact NZ-CE1 2.84Å; K251-H703 VanDerWaalsContact NZ-CE1 3.32Å; K251-H703 PolarHBondContact NZ-NE2 2.03Å
704	L	24.6	Very low	26.3	Very low	159 Å²	159	129 Å²	129	83%	0.832	68%	0.677	S	S	*	*			trans	172.9	152.4	152.5	-94.3	152.7	0	0	0	108.4
705	F	26.8	Very low	26	Very low	136 Å²	136	128.7 Å²	128.7	60%	0.596	67%	0.671	S	S	*	*			trans	100.5	106.9	178.5	-55.3	-57.5	0	0	0	117.8	A485	A485-F705 HydrophobicContact CB-CE1 3.86Å; A485-F705 HydrophobicContact CB-CZ 4.19Å
706	P	25.8	Very low	25.9	Very low	107 Å²	107	123.2 Å²	123.2	70%	0.695	64%	0.64	S	S	*	*			trans	-83	151.2	161.9	34.7	-32.5	0	0	0	111.5
707	P	26.5	Very low	25.8	Very low	125 Å²	125	119.4 Å²	119.4	81%	0.812	63%	0.631	S	S	*	*			trans	-76.3	136.9	175.8	31.6	-33.5	0	0	0	111.1
708	I	28.2	Very low	25.6	Very low	91 Å²	91	117 Å²	117	47%	0.467	61%	0.613	S	S	.	*			trans	-112.2	119.8	173.2	-51	177	0	0	0	109.5	F710	I708-F710 HydrophobicContact CB-CE2 3.99Å; I708-F710 HydrophobicContact CB-CZ 4.23Å; I708-F710 HydrophobicContact CG2-CD1 4.33Å; I708-F710 HydrophobicContact CG2-CD2 4.11Å; I708-F710 HydrophobicContact CG2-CE1 3.75Å; I708-F710 HydrophobicContact CG2-CE2 3.53Å; I708-F710 HydrophobicContact CG2-CG 4.48Å; I708-F710 HydrophobicContact CG2-CZ 3.33Å
709	N	26.1	Very low	25.6	Very low	68 Å²	68	115.6 Å²	115.6	36%	0.364	61%	0.613	S	S	.	*			trans	-86.3	125.6	179	-169.7	-13.5	0	0	0	110	D46	D46-N709 PolarHBondContact OD2-ND2 3.35Å
710	F	28.4	Very low	25.4	Very low	97 Å²	97	116.7 Å²	116.7	43%	0.425	61%	0.608	S	S	.	*			trans	-126.1	93.6	-176.7	-75.3	-55.8	0	0	0	113.5	Y455 Y457 I708	Y455-F710 HydrophobicContact CD2-CE1 4.11Å; Y455-F710 HydrophobicContact CD2-CE2 4.14Å; Y455-F710 AromaticContact CD2-CZ 3.47Å; Y455-F710 HydrophobicContact CD2-CZ 3.47Å; Y455-F710 VanDerWaalsContact CD2-CZ 3.47Å; Y455-F710 HydrophobicContact CE2-CE1 4.32Å; Y455-F710 AromaticContact CE2-CZ 3.66Å; Y455-F710 HydrophobicContact CE2-CZ 3.66Å; Y457-F710 HydrophobicContact CD2-CD1 4.17Å; Y457-F710 AromaticContact CD2-CE1 3.67Å; Y457-F710 HydrophobicContact CD2-CE1 3.67Å; Y457-F710 HydrophobicContact CE2-CD1 4.13Å; Y457-F710 HydrophobicContact CE2-CE1 4.08Å; I708-F710 HydrophobicContact CB-CE2 3.99Å; I708-F710 HydrophobicContact CB-CZ 4.23Å; I708-F710 HydrophobicContact CG2-CD1 4.33Å; I708-F710 HydrophobicContact CG2-CD2 4.11Å; I708-F710 HydrophobicContact CG2-CE1 3.75Å; I708-F710 HydrophobicContact CG2-CE2 3.53Å; I708-F710 HydrophobicContact CG2-CG 4.48Å; I708-F710 HydrophobicContact CG2-CZ 3.33Å
711	N	25.5	Very low	25.3	Very low	125 Å²	125	116.2 Å²	116.2	67%	0.668	62%	0.615	S	S	*	*			trans	-86	130	158.2	-88.6	-41.3	0	0	0	111
712	N	24.9	Very low	25.1	Very low	110 Å²	110	112.3 Å²	112.3	59%	0.588	60%	0.598	S	S	*	*	S	Bend	trans	78.1	115.7	165.6	-56.1	-47.7	0	0	0	120.2	K456	K456-N712 WeakPolarHBondContact CD-O 3.5Å; K456-N712 WeakPolarHBondContact CE-O 3.42Å; K456-N712 PolarHBondContact NZ-O 3.32Å
713	L	24	Very low	24.8	Very low	94 Å²	94	114.9 Å²	114.9	49%	0.492	60%	0.597	S	S	.	*			trans	67.4	74.8	139.4	-74.2	164.7	0	0	0	121	K456 I545 R546	K456-L713 WeakPolarHBondContact CD-O 3.27Å; K456-L713 WeakPolarHBondContact CE-O 3.31Å; K456-L713 WeakPolarHBondContact CG-O 3.45Å; I545-L713 HydrophobicContact CG2-CD2 4.28Å; R546-L713 HydrophobicContact CB-CD2 4.43Å
714	I	25.8	Very low	24.7	Very low	28 Å²	28	116.3 Å²	116.3	14%	0.144	60%	0.602	C	S	.	*			trans	-73.3	154.5	167	-40.9	-156.2	0	0	0	111.9	K456 I545 F716	K456-I714 HydrophobicContact CB-CB 4.18Å; K456-I714 HydrophobicContact CB-CG1 3.98Å; K456-I714 HydrophobicContact CB-CG2 4.19Å; I545-I714 WeakPolarHBondContact CD1-O 3.38Å; I545-I714 WeakPolarHBondContact CG1-O 3.38Å; I545-I714 WeakPolarHBondContact CG2-O 3.45Å; I714-F716 HydrophobicContact CB-CE2 4.31Å; I714-F716 HydrophobicContact CG2-CD2 3.88Å; I714-F716 HydrophobicContact CG2-CE2 3.35Å; I714-F716 HydrophobicContact CG2-CZ 4.03Å
715	Q	22.9	Very low	24.5	Very low	136 Å²	136	117 Å²	117	64%	0.636	61%	0.605	S	S	*	*			trans	-140.9	152.9	164.3	-73.2	-176	-10.9	0	0	109
716	F	26.7	Very low	24.2	Very low	46 Å²	46	117.6 Å²	117.6	20%	0.202	62%	0.615	C	S	.	*			trans	-134.7	156.8	173.9	-47.9	-134.5	0	0	0	110.3	N454 L517 L519 I714	N454-F716 HydrophobicContact CB-CD1 3.62Å; N454-F716 HydrophobicContact CB-CE1 3.5Å; N454-F716 VanDerWaalsContact CB-CE1 3.5Å; N454-F716 HydrophobicContact CB-CZ 4.46Å; N454-F716 WeakPolarHBondContact O-CE1 3.33Å; N454-F716 WeakPolarHBondContact O-CZ 3.47Å; L517-F716 HydrophobicContact CD2-CB 3.48Å; L517-F716 VanDerWaalsContact CD2-CB 3.48Å; L517-F716 HydrophobicContact CD2-CD2 3.26Å; L517-F716 HydrophobicContact CD2-CE2 4.21Å; L517-F716 HydrophobicContact CD2-CG 3.6Å; L519-F716 HydrophobicContact CD1-CE1 4.34Å; L519-F716 HydrophobicContact CD1-CE2 4.06Å; L519-F716 HydrophobicContact CD1-CZ 3.43Å; L519-F716 VanDerWaalsContact CD1-CZ 3.43Å; I714-F716 HydrophobicContact CB-CE2 4.31Å; I714-F716 HydrophobicContact CG2-CD2 3.88Å; I714-F716 HydrophobicContact CG2-CE2 3.35Å; I714-F716 HydrophobicContact CG2-CZ 4.03Å
717	H	23.4	Very low	24.1	Very low	135 Å²	135	121.4 Å²	121.4	63%	0.625	62%	0.623	S	S	*	*			trans	-112.1	137.8	170.8	-82	-49.6	0	0	0	111.3
718	F	25.2	Very low	23.9	Very low	114 Å²	114	122.3 Å²	122.3	50%	0.5	63%	0.627	S	S	.	*			trans	-103.5	118.9	163.7	-68	-84.4	0	0	0	108.7	Q720	F718-Q720 PolarHBondContact O-N 3.25Å
719	I	24.1	Very low	23.6	Very low	165 Å²	165	125.6 Å²	125.6	85%	0.846	65%	0.645	S	S	*	*			trans	-89	96.7	167.8	-64.9	173	0	0	0	108.5
720	Q	23.1	Very low	23.5	Very low	165 Å²	165	130.7 Å²	130.7	77%	0.771	67%	0.669	S	S	*	*			trans	-71.7	124	163	179.3	-178.3	7.7	0	0	109.1	F718	F718-Q720 PolarHBondContact O-N 3.25Å
721	S	23.4	Very low	23.1	Very low	116 Å²	116	133.8 Å²	133.8	81%	0.811	69%	0.69	S	S	*	*			trans	-102.3	111.1	159	48.1	0	0	0	0	109.7
722	T	21.3	Very low	23.1	Very low	101 Å²	101	135.4 Å²	135.4	62%	0.62	70%	0.697	S	S	*	*			trans	-68	144.7	168.6	46.2	0	0	0	0	111.4
723	L	20.8	Very low	22.9	Very low	152 Å²	152	138.3 Å²	138.3	80%	0.796	71%	0.707	S	S	*	*				-164.2	136.4	119.5	-131.5	77.6	0	0	0	114.9
724	K	20.6	Very low	23	Very low	172 Å²	172	140.8 Å²	140.8	75%	0.748	72%	0.72	S	S	*	*			trans	19.5	119.3	147.8	-70.2	177	173.4	-179.6	0	120.1
725	L	20.1	Very low	22.9	Very low	173 Å²	173	145.5 Å²	145.5	91%	0.906	75%	0.746	S	S	*	*			trans	-56.7	132.3	135.4	-81.7	152	0	0	0	109.8
726	N	22.1	Very low	23.1	Very low	150 Å²	150	146.3 Å²	146.3	80%	0.802	75%	0.754	S	S	*	*			trans	-156.4	135	150.2	-108.3	5.4	0	0	0	107.8
727	Q	22.5	Very low	23	Very low	186 Å²	186	149.8 Å²	149.8	87%	0.869	78%	0.782	S	S	*	*			trans	-71.6	137.2	174.7	-62.7	161.6	-55.6	0	0	110.1
728	T	23.1	Very low	23.3	Very low	144 Å²	144	151.1 Å²	151.1	88%	0.883	79%	0.792	S	S	*	*			trans	-169.1	138.3	133.8	23.3	0	0	0	0	110.5
729	N	22.6	Very low	23.3	Very low	160 Å²	160	151.9 Å²	151.9	86%	0.856	80%	0.801	S	S	*	*			trans	-63.2	147.6	175.3	-56	-31.1	0	0	0	111.7
730	M	22.3	Very low	23.6	Very low	176 Å²	176	152.3 Å²	152.3	87%	0.867	80%	0.803	S	S	*	*			trans	-156.8	117.4	141.8	-108.6	-172	-64	0	0	110.7
731	N	21.4	Very low	23.8	Very low	161 Å²	161	152.7 Å²	152.7	86%	0.861	81%	0.807	S	S	*	*			trans	-73.8	135.3	165	-77.9	-21.4	0	0	0	109.3
732	I	23.8	Very low	24	Very low	159 Å²	159	150.3 Å²	150.3	82%	0.815	80%	0.801	S	S	*	*			trans	-134.1	100.5	153.2	-59.3	-176.7	0	0	0	107.9
733	Q	22.2	Very low	24.4	Very low	171 Å²	171	154.5 Å²	154.5	80%	0.799	82%	0.818	S	S	*	*			trans	-81.2	-178.9	157.1	-89.5	-176.8	-41.6	0	0	109.5
734	L	24.6	Very low	24.7	Very low	147 Å²	147	150.2 Å²	150.2	77%	0.77	81%	0.811	S	S	*	*			trans	82.5	142	170	-46.4	165.2	0	0	0	114.3
735	N	23.9	Very low	25.1	Very low	127 Å²	127	152.8 Å²	152.8	68%	0.679	82%	0.823	S	S	*	*			cis	-163.1	161.4	-28.2	-111	-0	0	0	0	105.8
736	D	27.1	Very low	25.3	Very low	153 Å²	153	149.7 Å²	149.7	82%	0.818	82%	0.815	S	S	*	*				164.1	118.6	127.9	-82.3	-11.2	0	0	0	111.1
737	P	26.3	Very low	25.6	Very low	119 Å²	119	149.6 Å²	149.6	77%	0.773	82%	0.82	S	S	*	*			trans	-96.2	143.9	171.2	36.1	-29.9	0	0	0	111.1
738	I	28.3	Very low	25.7	Very low	163 Å²	163	146.8 Å²	146.8	84%	0.836	81%	0.811	S	S	*	*			trans	-134.7	123.6	161.8	-60	-176.6	0	0	0	110.5
739	D	25.1	Very low	26.2	Very low	130 Å²	130	146.2 Å²	146.2	70%	0.695	81%	0.807	S	S	*	*			trans	-20.9	137.5	172	-57.2	-46.4	0	0	0	119.5
740	I	30.8	Very low	26.4	Very low	173 Å²	173	144.3 Å²	144.3	89%	0.887	80%	0.797	S	S	*	*				-138.2	128.1	117.2	-59.4	-171.3	0	0	0	108.9
741	M	27.8	Very low	26.9	Very low	173 Å²	173	143.5 Å²	143.5	85%	0.852	80%	0.796	S	S	*	*			trans	-75	150.9	175.9	-58.8	172.8	-137.9	0	0	112.6
742	G	27.9	Very low	27.1	Very low	67 Å²	67	144.7 Å²	144.7	69%	0.691	80%	0.797	S	S	*	*			trans	135.6	87.3	146.9	0	0	0	0	0	117.5
743	L	29.5	Very low	27.4	Very low	188 Å²	188	144.7 Å²	144.7	98%	0.984	80%	0.796	S	S	*	*			trans	56	123.1	148.6	-54.5	166.1	0	0	0	117.7
744	G	25.9	Very low	27.5	Very low	62 Å²	62	145.9 Å²	145.9	64%	0.639	80%	0.802	S	S	*	*			cis	165.9	165.3	2.7	0	0	0	0	0	110.4
745	F	28.9	Very low	27.7	Very low	226 Å²	226	145.4 Å²	145.4	99%	0.991	81%	0.805	S	S	*	*			trans	82.5	115.9	-177.5	-59.6	-73.3	0	0	0	117.9
746	S	24.6	Very low	27.7	Very low	108 Å²	108	146 Å²	146	76%	0.755	81%	0.808	S	S	*	*			trans	-124.8	149.3	-179.5	49.2	0	0	0	0	109.4
747	V	29.2	Very low	27.7	Very low	148 Å²	148	145.2 Å²	145.2	90%	0.897	80%	0.803	S	S	*	*			trans	-139.4	123.7	144.3	-177.7	0	0	0	0	107.2
748	N	25.3	Very low	27.8	Very low	127 Å²	127	145.6 Å²	145.6	68%	0.679	80%	0.803	S	S	*	*			trans	-147.8	124.7	177.2	176.2	23.3	0	0	0	107.5
749	V	32.8	Very low	28	Very low	133 Å²	133	145.7 Å²	145.7	81%	0.806	81%	0.806	S	S	*	*			trans	-145.7	123.5	163	-165.6	0	0	0	0	108.6
750	N	27.9	Very low	28.3	Very low	120 Å²	120	147.1 Å²	147.1	64%	0.642	81%	0.808	S	S	*	*			trans	-71.6	161.6	172.6	-52.6	-48.5	0	0	0	110.9
751	N	32.8	Very low	28.4	Very low	159 Å²	159	143.8 Å²	143.8	85%	0.85	80%	0.796	S	S	*	*				179.7	144.8	120.8	-88.4	-11.4	0	0	0	111.9
752	E	24.6	Very low	28.7	Very low	186 Å²	186	143.9 Å²	143.9	87%	0.869	79%	0.794	S	S	*	*			trans	-71.6	150.7	170.7	-57	163.7	126.7	0	0	111
753	I	30.2	Very low	29.1	Very low	158 Å²	158	148.7 Å²	148.7	81%	0.81	80%	0.802	S	S	*	*			trans	-152.3	126.5	150.9	-93.1	145.6	0	0	0	107.7	V755	I753-V755 HydrophobicContact CG2-CG2 3.99Å
754	Q	23.4	Very low	29.1	Very low	196 Å²	196	148.8 Å²	148.8	92%	0.916	80%	0.795	S	S	*	*			trans	-90.9	136	158.1	-64.2	174	-83.6	0	0	108.6
755	V	28.9	Very low	29.5	Very low	138 Å²	138	153.8 Å²	153.8	84%	0.836	80%	0.802	S	S	*	*			trans	-145.9	141.8	152.4	-175.4	0	0	0	0	109.7	I753	I753-V755 HydrophobicContact CG2-CG2 3.99Å
756	D	25.2	Very low	29.5	Very low	138 Å²	138	153.7 Å²	153.7	74%	0.738	80%	0.795	S	S	*	*			trans	-87.9	160.7	-175	-103.9	-47	0	0	0	115.5
757	L	26.3	Very low	29.8	Very low	138 Å²	138	154.7 Å²	154.7	72%	0.723	80%	0.796	S	S	*	*			trans	62.6	136.6	142	-70.8	163.7	0	0	0	123.5
758	T	28.4	Very low	30	Very low	126 Å²	126	156.3 Å²	156.3	77%	0.773	79%	0.794	S	S	*	*			trans	61.3	120.9	147.7	51.3	0	0	0	0	120.3
759	D	33.7	Very low	30.4	Very low	165 Å²	165	156.1 Å²	156.1	88%	0.882	80%	0.797	S	S	*	*				-153.8	166.4	96.7	-140.5	-20.7	0	0	0	113.2
760	E	30.9	Very low	30.7	Very low	160 Å²	160	153.8 Å²	153.8	75%	0.748	78%	0.78	S	S	*	*			trans	-117.7	166.8	-162.6	-163	-171.3	-150.7	0	0	113
761	T	32.1	Very low	31.3	Very low	103 Å²	103	157 Å²	157	63%	0.632	79%	0.788	S	S	*	*			trans	100	143.3	151.9	78.4	0	0	0	0	121.5
762	Q	34.8	Very low	32.2	Very low	176 Å²	176	152.8 Å²	152.8	82%	0.822	77%	0.771	S	S	*	*			trans	75.9	122.6	165.2	-38	-149.4	32.6	0	0	114.9
763	I	34.8	Very low	33.3	Very low	167 Å²	167	149.3 Å²	149.3	86%	0.856	76%	0.755	S	S	*	*				-134.5	129.5	50.7	-74.2	153.8	0	0	0	112.9
764	K	30.6	Very low	34.1	Very low	190 Å²	190	148.1 Å²	148.1	83%	0.826	75%	0.746	S	S	*	*			trans	-78.7	142.8	162.4	-77	168	171.3	166.1	0	109.8
765	Q	33.6	Very low	35.6	Very low	168 Å²	168	147.1 Å²	147.1	79%	0.785	74%	0.735	S	S	*	*				177.2	152.2	119.8	-99.5	-179.7	31.4	0	0	114.9
766	R	30.2	Very low	37.3	Very low	224 Å²	224	145.1 Å²	145.1	85%	0.845	72%	0.723	S	S	*	*			trans	70.8	73.7	161.9	-68.1	177.4	-172.5	-164.8	-0.3	119
767	T	30.9	Very low	39	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	72%	0.718	S	S	*	*			trans	-63.4	132.3	131.3	39.2	0	0	0	0	111.1
768	H	33	Very low	41.1	Very low	182 Å²	182	144.3 Å²	144.3	84%	0.843	71%	0.706	S	S	*	*			trans	168.8	161.2	138.6	-106.1	-98	0	0	0	109.6
769	V	33.5	Very low	43.2	Very low	124 Å²	124	145.7 Å²	145.7	75%	0.752	70%	0.701	S	S	*	*			trans	76.3	88.9	176.1	-165.4	0	0	0	0	116.1
770	N	37.9	Very low	45	Very low	84 Å²	84	145.3 Å²	145.3	45%	0.449	69%	0.689	S	S	.	*				-176.7	51.5	126.9	-97.4	-8.2	0	0	0	114.3	S772 Q773	N770-S772 PolarHBondContact O-N 2.85Å; N770-S772 VanDerWaalsContact O-N 3.13Å; N770-S772 PolarHBondContact OD1-OG 2.97Å; N770-Q773 PolarHBondContact ND2-OE1 3.38Å; N770-Q773 PolarHBondContact O-N 3.33Å
771	K	42.2	Very low	47.1	Very low	186 Å²	186	142.6 Å²	142.6	81%	0.809	68%	0.679	S	S	*	*	H	α-helix	trans	-64.1	-7.7	164.1	-90.7	-171.8	171.9	-176	0	113.7
772	S	50.7	Low	49.4	Very low	71 Å²	71	142.8 Å²	142.8	50%	0.497	68%	0.675	S	S	.	*	H	α-helix	trans	-72.9	-30.5	173.6	48.4	0	0	0	0	113.5	N770 V776	N770-S772 PolarHBondContact O-N 2.85Å; N770-S772 VanDerWaalsContact O-N 3.13Å; N770-S772 PolarHBondContact OD1-OG 2.97Å; S772-V776 PolarHBondContact O-N 3.14Å
773	Q	47.4	Very low	51.6	Low	113 Å²	113	136.4 Å²	136.4	53%	0.528	66%	0.656	S	S	.	*	H	α-helix	trans	-71.7	-36.9	-175.7	-83.2	-178.8	-51.8	0	0	112.8	N770 Y775 V776 W777	N770-Q773 PolarHBondContact ND2-OE1 3.38Å; N770-Q773 PolarHBondContact O-N 3.33Å; Q773-Y775 VanDerWaalsContact C-N 3.28Å; Q773-Y775 PolarHBondContact O-N 3.17Å; Q773-V776 PolarHBondContact O-N 3.4Å; Q773-W777 VanDerWaalsContact O-CD1 3.31Å; Q773-W777 PolarHBondContact O-N 3.17Å
774	E	48.5	Very low	53.8	Low	133 Å²	133	132.9 Å²	132.9	62%	0.621	64%	0.638	S	S	*	*	H	α-helix	trans	-60.6	-37.4	177.5	-67.1	-175.5	144.7	0	0	112.1	V776 W777 I778	E774-V776 PolarHBondContact O-N 3.31Å; E774-W777 PolarHBondContact O-N 3.38Å; E774-I778 WeakPolarHBondContact O-CG1 3.06Å; E774-I778 PolarHBondContact O-N 2.95Å
775	Y	53.5	Low	56.2	Low	175 Å²	175	126.9 Å²	126.9	69%	0.686	62%	0.62	S	S	*	*	H	α-helix	trans	-70	-31.9	178.6	-125.4	-85.8	0	0	0	113.2	Q773 K779	Q773-Y775 VanDerWaalsContact C-N 3.28Å; Q773-Y775 PolarHBondContact O-N 3.17Å; Y775-K779 PolarHBondContact O-N 3.28Å
776	V	64.8	Low	58.5	Low	97 Å²	97	124.5 Å²	124.5	59%	0.588	61%	0.611	S	S	*	*	H	α-helix	trans	-69.4	-43.6	172.1	177.4	0	0	0	0	110.2	S772 Q773 E774 K779 Y780	S772-V776 PolarHBondContact O-N 3.14Å; Q773-V776 PolarHBondContact O-N 3.4Å; E774-V776 PolarHBondContact O-N 3.31Å; V776-K779 PolarHBondContact O-N 3.38Å; V776-Y780 WeakPolarHBondContact O-CB 3.16Å; V776-Y780 PolarHBondContact O-N 2.97Å
777	W	60.6	Low	61	Low	165 Å²	165	120.4 Å²	120.4	63%	0.625	60%	0.599	S	S	*	*	H	α-helix	trans	-61.3	-43.7	176	-87	100.5	0	0	0	112.9	Q773 E774 K779 Y780 I781	Q773-W777 VanDerWaalsContact O-CD1 3.31Å; Q773-W777 PolarHBondContact O-N 3.17Å; E774-W777 PolarHBondContact O-N 3.38Å; W777-K779 PolarHBondContact O-N 3.45Å; W777-Y780 PolarHBondContact O-N 3.48Å; W777-I781 WeakPolarHBondContact O-CG1 3.45Å; W777-I781 PolarHBondContact O-N 3.22Å
778	I	71.8	Confident	63.5	Low	94 Å²	94	117.9 Å²	117.9	48%	0.482	58%	0.584	S	S	.	*	H	α-helix	trans	-62.7	-43.4	176.7	-69.7	166.4	0	0	0	111.1	E774 Y780 I781 L782	E774-I778 WeakPolarHBondContact O-CG1 3.06Å; E774-I778 PolarHBondContact O-N 2.95Å; I778-Y780 VanDerWaalsContact C-N 3.32Å; I778-Y780 PolarHBondContact O-N 3.34Å; I778-I781 PolarHBondContact O-N 3.05Å; I778-L782 HydrophobicContact CG2-CD1 3.91Å; I778-L782 WeakPolarHBondContact O-CB 3.32Å; I778-L782 WeakPolarHBondContact O-CG 3.48Å; I778-L782 PolarHBondContact O-N 3.03Å
779	K	71.6	Confident	66	Low	154 Å²	154	113.8 Å²	113.8	67%	0.67	57%	0.567	S	S	*	*	H	α-helix	trans	-61.9	-38.1	173.3	-87.2	-169.5	173	-175.6	0	112.7	Y775 V776 W777 G783	Y775-K779 PolarHBondContact O-N 3.28Å; V776-K779 PolarHBondContact O-N 3.38Å; W777-K779 PolarHBondContact O-N 3.45Å; K779-G783 PolarHBondContact O-N 3.31Å
780	Y	71.6	Confident	68.6	Low	158 Å²	158	112.1 Å²	112.1	62%	0.62	55%	0.553	S	S	*	*	H	α-helix	trans	-68.8	-42.1	179.4	-150.6	-98.4	0	0	0	111.8	V776 W777 I778 G783 I784	V776-Y780 WeakPolarHBondContact O-CB 3.16Å; V776-Y780 PolarHBondContact O-N 2.97Å; W777-Y780 PolarHBondContact O-N 3.48Å; I778-Y780 VanDerWaalsContact C-N 3.32Å; I778-Y780 PolarHBondContact O-N 3.34Å; Y780-G783 PolarHBondContact O-N 3.25Å; Y780-I784 HydrophobicContact CD1-CD1 3.69Å; Y780-I784 HydrophobicContact CD1-CG1 4.39Å; Y780-I784 HydrophobicContact CE1-CD1 3.79Å; Y780-I784 HydrophobicContact CE1-CG1 4.45Å; Y780-I784 WeakPolarHBondContact O-CG1 3.07Å; Y780-I784 PolarHBondContact O-N 3.43Å
781	I	75.4	Confident	70.9	Confident	103 Å²	103	111 Å²	111	53%	0.528	55%	0.545	S	S	.	.	H	α-helix	trans	-65.6	-44.3	176.2	-67.8	167.5	0	0	0	111.1	W777 I778 G783 I784 S785	W777-I781 WeakPolarHBondContact O-CG1 3.45Å; W777-I781 PolarHBondContact O-N 3.22Å; I778-I781 PolarHBondContact O-N 3.05Å; I781-G783 VanDerWaalsContact C-N 3.33Å; I781-G783 PolarHBondContact O-N 2.94Å; I781-I784 PolarHBondContact O-N 2.64Å; I781-S785 WeakPolarHBondContact O-CB 3.07Å; I781-S785 PolarHBondContact O-N 3.2Å
782	L	79.3	Confident	73	Confident	107 Å²	107	109.1 Å²	109.1	56%	0.56	54%	0.538	S	S	*	.	H	α-helix	trans	-61.9	-39.9	173.5	-77.7	166.1	0	0	0	111.9	I778 S785 M786	I778-L782 HydrophobicContact CG2-CD1 3.91Å; I778-L782 WeakPolarHBondContact O-CB 3.32Å; I778-L782 WeakPolarHBondContact O-CG 3.48Å; I778-L782 PolarHBondContact O-N 3.03Å; L782-S785 PolarHBondContact O-N 2.91Å; L782-M786 WeakPolarHBondContact O-CB 2.91Å; L782-M786 WeakPolarHBondContact O-CG 3.4Å; L782-M786 PolarHBondContact O-N 3.2Å
783	G	81.1	Confident	74.9	Confident	41 Å²	41	110 Å²	110	42%	0.423	54%	0.537	S	S	.	.	H	α-helix	trans	-60.3	-48.3	174.8	0	0	0	0	0	112.6	K779 Y780 I781 S785 M786 F787	K779-G783 PolarHBondContact O-N 3.31Å; Y780-G783 PolarHBondContact O-N 3.25Å; I781-G783 VanDerWaalsContact C-N 3.33Å; I781-G783 PolarHBondContact O-N 2.94Å; G783-S785 PolarHBondContact O-N 3.47Å; G783-M786 PolarHBondContact O-N 3.34Å; G783-F787 WeakPolarHBondContact O-CB 3.16Å; G783-F787 PolarHBondContact O-N 3.24Å
784	I	81.2	Confident	77	Confident	93 Å²	93	107.6 Å²	107.6	48%	0.477	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.5	-67.8	167.3	0	0	0	110.6	Y780 I781 M786 F787 T788	Y780-I784 HydrophobicContact CD1-CD1 3.69Å; Y780-I784 HydrophobicContact CD1-CG1 4.39Å; Y780-I784 HydrophobicContact CE1-CD1 3.79Å; Y780-I784 HydrophobicContact CE1-CG1 4.45Å; Y780-I784 WeakPolarHBondContact O-CG1 3.07Å; Y780-I784 PolarHBondContact O-N 3.43Å; I781-I784 PolarHBondContact O-N 2.64Å; I784-M786 PolarHBondContact O-N 2.85Å; I784-F787 PolarHBondContact O-N 3.14Å; I784-T788 HydrophobicContact CG2-CG2 4.4Å; I784-T788 WeakPolarHBondContact O-CG2 3.26Å; I784-T788 PolarHBondContact O-N 2.62Å; I784-T788 PolarHBondContact O-OG1 2.78Å
785	S	81	Confident	78.9	Confident	64 Å²	64	104.5 Å²	104.5	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-35.7	-179.7	-170.2	0	0	0	0	113.4	I781 L782 G783 T788 L789	I781-S785 WeakPolarHBondContact O-CB 3.07Å; I781-S785 PolarHBondContact O-N 3.2Å; L782-S785 PolarHBondContact O-N 2.91Å; G783-S785 PolarHBondContact O-N 3.47Å; S785-T788 PolarHBondContact O-OG1 2.7Å; S785-T788 VanDerWaalsContact O-OG1 3.13Å; S785-L789 WeakPolarHBondContact O-CB 3.34Å; S785-L789 PolarHBondContact O-N 2.6Å
786	M	82.1	Confident	80.5	Confident	119 Å²	119	103.2 Å²	103.2	59%	0.586	51%	0.512	S	S	*	.	H	α-helix	trans	-71.3	-38.9	173.4	-73	-68.6	-76.8	0	0	111.1	L782 G783 I784 L789 I790	L782-M786 WeakPolarHBondContact O-CB 2.91Å; L782-M786 WeakPolarHBondContact O-CG 3.4Å; L782-M786 PolarHBondContact O-N 3.2Å; G783-M786 PolarHBondContact O-N 3.34Å; I784-M786 PolarHBondContact O-N 2.85Å; M786-L789 PolarHBondContact O-N 3.37Å; M786-I790 VanDerWaalsContact O-CG1 3.3Å; M786-I790 WeakPolarHBondContact O-CG1 3.36Å; M786-I790 PolarHBondContact O-N 3.39Å
787	F	83.4	Confident	81.6	Confident	138 Å²	138	102.7 Å²	102.7	61%	0.605	51%	0.505	S	S	*	.	H	α-helix	trans	-65.6	-43	179	-160.3	-89.4	0	0	0	112.2	G783 I784 L789 I790 F791	G783-F787 WeakPolarHBondContact O-CB 3.16Å; G783-F787 PolarHBondContact O-N 3.24Å; I784-F787 PolarHBondContact O-N 3.14Å; F787-L789 VanDerWaalsContact C-N 3.34Å; F787-L789 PolarHBondContact O-N 3.09Å; F787-I790 PolarHBondContact O-N 3.5Å; F787-F791 WeakPolarHBondContact O-CB 3.33Å; F787-F791 PolarHBondContact O-N 3.43Å
788	T	82.3	Confident	82.9	Confident	75 Å²	75	100.6 Å²	100.6	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-65.5	-36.4	175.6	54.2	0	0	0	0	112.3	I784 S785 F791 Q792	I784-T788 HydrophobicContact CG2-CG2 4.4Å; I784-T788 WeakPolarHBondContact O-CG2 3.26Å; I784-T788 PolarHBondContact O-N 2.62Å; I784-T788 PolarHBondContact O-OG1 2.78Å; S785-T788 PolarHBondContact O-OG1 2.7Å; S785-T788 VanDerWaalsContact O-OG1 3.13Å; T788-F791 PolarHBondContact O-N 3.14Å; T788-Q792 WeakPolarHBondContact O-CB 3.37Å; T788-Q792 WeakPolarHBondContact O-CG 3.48Å; T788-Q792 PolarHBondContact O-N 2.68Å
789	L	86.4	Confident	83.5	Confident	96 Å²	96	103.3 Å²	103.3	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-42.4	177.3	-160.6	155.2	0	0	0	111.6	S785 M786 F787 F791 Q792 I793	S785-L789 WeakPolarHBondContact O-CB 3.34Å; S785-L789 PolarHBondContact O-N 2.6Å; M786-L789 PolarHBondContact O-N 3.37Å; F787-L789 VanDerWaalsContact C-N 3.34Å; F787-L789 PolarHBondContact O-N 3.09Å; L789-F791 VanDerWaalsContact C-N 3.35Å; L789-F791 PolarHBondContact O-N 2.76Å; L789-Q792 PolarHBondContact O-N 3.28Å; L789-I793 HydrophobicContact CD2-CD1 3.64Å; L789-I793 HydrophobicContact CD2-CG1 4.35Å; L789-I793 WeakPolarHBondContact O-CG1 3.11Å; L789-I793 PolarHBondContact O-N 2.86Å
790	I	88.6	Confident	84.1	Confident	89 Å²	89	102.8 Å²	102.8	46%	0.456	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-43.2	171.9	-69	165.3	0	0	0	110.8	M786 F787 Q792 I793 I794	M786-I790 VanDerWaalsContact O-CG1 3.3Å; M786-I790 WeakPolarHBondContact O-CG1 3.36Å; M786-I790 PolarHBondContact O-N 3.39Å; F787-I790 PolarHBondContact O-N 3.5Å; I790-Q792 PolarHBondContact O-N 2.8Å; I790-I793 PolarHBondContact O-N 3.39Å; I790-I794 HydrophobicContact CG2-CD1 3.85Å; I790-I794 HydrophobicContact CG2-CG1 4.49Å; I790-I794 WeakPolarHBondContact O-CG1 3.37Å; I790-I794 PolarHBondContact O-N 3.33Å
791	F	85.9	Confident	84.7	Confident	61 Å²	61	100 Å²	100	27%	0.268	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-39	179	-153.7	-99.2	0	0	0	112.3	Q19 F787 T788 L789 I794 I795	Q19-F791 VanDerWaalsContact OE1-CZ 3.31Å; F787-F791 WeakPolarHBondContact O-CB 3.33Å; F787-F791 PolarHBondContact O-N 3.43Å; T788-F791 PolarHBondContact O-N 3.14Å; L789-F791 VanDerWaalsContact C-N 3.35Å; L789-F791 PolarHBondContact O-N 2.76Å; F791-I794 PolarHBondContact O-N 3.29Å; F791-I795 HydrophobicContact CD1-CD1 3.64Å; F791-I795 HydrophobicContact CD1-CG1 4.32Å; F791-I795 HydrophobicContact CE1-CD1 3.76Å; F791-I795 HydrophobicContact CE1-CG1 4.38Å; F791-I795 WeakPolarHBondContact O-CG1 3.23Å; F791-I795 PolarHBondContact O-N 2.98Å
792	Q	86.6	Confident	85.1	Confident	145 Å²	145	102.8 Å²	102.8	68%	0.678	51%	0.507	S	S	*	.	H	α-helix	trans	-60.5	-44.7	171.9	-70.3	-105.5	-9.1	0	0	111.8	T788 L789 I790 I795 F796	T788-Q792 WeakPolarHBondContact O-CB 3.37Å; T788-Q792 WeakPolarHBondContact O-CG 3.48Å; T788-Q792 PolarHBondContact O-N 2.68Å; L789-Q792 PolarHBondContact O-N 3.28Å; I790-Q792 PolarHBondContact O-N 2.8Å; Q792-I795 PolarHBondContact O-N 3.12Å; Q792-F796 WeakPolarHBondContact O-CB 3.16Å; Q792-F796 PolarHBondContact O-N 2.84Å
793	I	89.7	Confident	85.2	Confident	89 Å²	89	105.2 Å²	105.2	46%	0.456	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-45.1	176.1	-70.1	170.1	0	0	0	110.9	L789 I790 I795 F796 I797	L789-I793 HydrophobicContact CD2-CD1 3.64Å; L789-I793 HydrophobicContact CD2-CG1 4.35Å; L789-I793 WeakPolarHBondContact O-CG1 3.11Å; L789-I793 PolarHBondContact O-N 2.86Å; I790-I793 PolarHBondContact O-N 3.39Å; I793-I795 PolarHBondContact O-N 3.28Å; I793-F796 WeakPolarHBondContact O-CB 3.3Å; I793-F796 PolarHBondContact O-N 2.83Å; I793-F796 VanDerWaalsContact O-N 3.15Å; I793-I797 HydrophobicContact CG2-CD1 3.78Å; I793-I797 HydrophobicContact CG2-CG1 4.42Å; I793-I797 WeakPolarHBondContact O-CG1 3.04Å; I793-I797 PolarHBondContact O-N 2.64Å
794	I	91	Very high	85.1	Confident	64 Å²	64	110.2 Å²	110.2	33%	0.328	52%	0.521	S	S	.	.	H	α-helix	trans	-61	-45.6	177.8	-69.6	168.1	0	0	0	110.9	I790 F791 F796 I797 F798	I790-I794 HydrophobicContact CG2-CD1 3.85Å; I790-I794 HydrophobicContact CG2-CG1 4.49Å; I790-I794 WeakPolarHBondContact O-CG1 3.37Å; I790-I794 PolarHBondContact O-N 3.33Å; F791-I794 PolarHBondContact O-N 3.29Å; I794-F796 VanDerWaalsContact C-N 3.29Å; I794-F796 PolarHBondContact O-N 3.11Å; I794-I797 PolarHBondContact O-N 3.04Å; I794-F798 HydrophobicContact CG2-CD2 3.73Å; I794-F798 HydrophobicContact CG2-CE2 3.78Å; I794-F798 WeakPolarHBondContact O-CD2 3.44Å; I794-F798 PolarHBondContact O-N 2.75Å
795	I	88.7	Confident	84.9	Confident	67 Å²	67	114.1 Å²	114.1	34%	0.344	53%	0.53	S	S	.	.	H	α-helix	trans	-59.9	-40.3	174.9	-70.4	168.4	0	0	0	111.2	F791 Q792 I793 F798 K799	F791-I795 HydrophobicContact CD1-CD1 3.64Å; F791-I795 HydrophobicContact CD1-CG1 4.32Å; F791-I795 HydrophobicContact CE1-CD1 3.76Å; F791-I795 HydrophobicContact CE1-CG1 4.38Å; F791-I795 WeakPolarHBondContact O-CG1 3.23Å; F791-I795 PolarHBondContact O-N 2.98Å; Q792-I795 PolarHBondContact O-N 3.12Å; I793-I795 PolarHBondContact O-N 3.28Å; I795-F798 PolarHBondContact O-N 2.84Å; I795-K799 HydrophobicContact CG2-CD 4.33Å; I795-K799 WeakPolarHBondContact O-CB 3.41Å; I795-K799 WeakPolarHBondContact O-CG 3.05Å; I795-K799 PolarHBondContact O-N 3.33Å
796	F	87.1	Confident	84.5	Confident	148 Å²	148	114.6 Å²	114.6	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-65.3	-43.7	178.2	-162.1	-90.2	0	0	0	111.8	Q792 I793 I794 K799 Y800	Q792-F796 WeakPolarHBondContact O-CB 3.16Å; Q792-F796 PolarHBondContact O-N 2.84Å; I793-F796 WeakPolarHBondContact O-CB 3.3Å; I793-F796 PolarHBondContact O-N 2.83Å; I793-F796 VanDerWaalsContact O-N 3.15Å; I794-F796 VanDerWaalsContact C-N 3.29Å; I794-F796 PolarHBondContact O-N 3.11Å; F796-K799 PolarHBondContact O-N 3.25Å; F796-Y800 WeakPolarHBondContact O-CB 3.21Å; F796-Y800 PolarHBondContact O-N 3.19Å
797	I	88.9	Confident	84.2	Confident	87 Å²	87	116.8 Å²	116.8	45%	0.446	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-46.1	174.5	-67.9	166.8	0	0	0	110.7	I793 I794 K799 Y800 L801	I793-I797 HydrophobicContact CG2-CD1 3.78Å; I793-I797 HydrophobicContact CG2-CG1 4.42Å; I793-I797 WeakPolarHBondContact O-CG1 3.04Å; I793-I797 PolarHBondContact O-N 2.64Å; I794-I797 PolarHBondContact O-N 3.04Å; I797-K799 PolarHBondContact O-N 2.82Å; I797-Y800 PolarHBondContact O-N 2.96Å; I797-L801 HydrophobicContact CG2-CD1 3.85Å; I797-L801 HydrophobicContact CG2-CG 4.32Å; I797-L801 WeakPolarHBondContact O-CB 3.33Å; I797-L801 WeakPolarHBondContact O-CG 3.13Å; I797-L801 PolarHBondContact O-N 2.78Å
798	F	86.6	Confident	83.5	Confident	121 Å²	121	117 Å²	117	53%	0.531	54%	0.535	S	S	.	.	H	α-helix	trans	-63.1	-39.4	176.2	-88.6	-70.8	0	0	0	113	F16 I794 I795 Y800 K802	F16-F798 HydrophobicContact CZ-CE2 4.24Å; I794-F798 HydrophobicContact CG2-CD2 3.73Å; I794-F798 HydrophobicContact CG2-CE2 3.78Å; I794-F798 WeakPolarHBondContact O-CD2 3.44Å; I794-F798 PolarHBondContact O-N 2.75Å; I795-F798 PolarHBondContact O-N 2.84Å; F798-Y800 VanDerWaalsContact C-N 3.35Å; F798-K802 VanDerWaalsContact O-CB 3.29Å; F798-K802 WeakPolarHBondContact O-CB 3.38Å; F798-K802 PolarHBondContact O-N 3.18Å
799	K	84.7	Confident	82.7	Confident	150 Å²	150	119.7 Å²	119.7	65%	0.652	54%	0.54	S	S	*	.	H	α-helix	trans	-62.7	-41	172.8	-78	-178.4	177	-178.9	0	111.7	I795 F796 I797 K803	I795-K799 HydrophobicContact CG2-CD 4.33Å; I795-K799 WeakPolarHBondContact O-CB 3.41Å; I795-K799 WeakPolarHBondContact O-CG 3.05Å; I795-K799 PolarHBondContact O-N 3.33Å; F796-K799 PolarHBondContact O-N 3.25Å; I797-K799 PolarHBondContact O-N 2.82Å; K799-K803 PolarHBondContact O-N 3.46Å; K799-K803 VanDerWaalsContact O-N 3.11Å
800	Y	84.7	Confident	81.5	Confident	144 Å²	144	121.1 Å²	121.1	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-66.1	-48.6	177.9	-163	-86.5	0	0	0	111.7	F796 I797 F798 K802 K803 Y804	F796-Y800 WeakPolarHBondContact O-CB 3.21Å; F796-Y800 PolarHBondContact O-N 3.19Å; I797-Y800 PolarHBondContact O-N 2.96Å; F798-Y800 VanDerWaalsContact C-N 3.35Å; Y800-K802 PolarHBondContact O-N 2.87Å; Y800-K803 WeakPolarHBondContact O-CB 3.37Å; Y800-K803 PolarHBondContact O-N 3.22Å; Y800-Y804 HydrophobicContact CE1-CD2 4.07Å; Y800-Y804 PolarHBondContact O-N 3.39Å
801	L	85.1	Confident	80.2	Confident	100 Å²	100	119.3 Å²	119.3	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-60.1	-42.3	175.6	-72.4	172	0	0	0	112.1	I797 K803 Y804 Y805	I797-L801 HydrophobicContact CG2-CD1 3.85Å; I797-L801 HydrophobicContact CG2-CG 4.32Å; I797-L801 WeakPolarHBondContact O-CB 3.33Å; I797-L801 WeakPolarHBondContact O-CG 3.13Å; I797-L801 PolarHBondContact O-N 2.78Å; L801-K803 VanDerWaalsContact C-N 3.32Å; L801-K803 PolarHBondContact O-N 3.43Å; L801-Y804 PolarHBondContact O-N 2.74Å; L801-Y805 WeakPolarHBondContact O-CB 3.01Å; L801-Y805 PolarHBondContact O-N 3.22Å
802	K	83.1	Confident	78.7	Confident	160 Å²	160	120.9 Å²	120.9	70%	0.696	56%	0.557	S	S	*	*	H	α-helix	trans	-60.4	-40.5	175.5	-172.1	173.9	-177.6	175.9	0	111.8	F798 Y800 T806	F798-K802 VanDerWaalsContact O-CB 3.29Å; F798-K802 WeakPolarHBondContact O-CB 3.38Å; F798-K802 PolarHBondContact O-N 3.18Å; Y800-K802 PolarHBondContact O-N 2.87Å; K802-T806 PolarHBondContact O-N 2.85Å; K802-T806 VanDerWaalsContact O-N 3.1Å; K802-T806 PolarHBondContact O-OG1 3.41Å; K802-T806 VanDerWaalsContact O-OG1 3.07Å
803	K	80.8	Confident	77.1	Confident	159 Å²	159	120.5 Å²	120.5	69%	0.691	56%	0.555	S	S	*	*	H	α-helix	trans	-68.4	-34.1	176.1	-164.5	179.4	-176.2	-179.1	0	112.4	K799 Y800 L801 T806 K807	K799-K803 PolarHBondContact O-N 3.46Å; K799-K803 VanDerWaalsContact O-N 3.11Å; Y800-K803 WeakPolarHBondContact O-CB 3.37Å; Y800-K803 PolarHBondContact O-N 3.22Å; L801-K803 VanDerWaalsContact C-N 3.32Å; L801-K803 PolarHBondContact O-N 3.43Å; K803-T806 PolarHBondContact O-OG1 3.33Å; K803-K807 PolarHBondContact O-N 3.35Å
804	Y	79.5	Confident	75.1	Confident	146 Å²	146	126.5 Å²	126.5	57%	0.573	57%	0.572	S	S	*	*	H	α-helix	trans	-72	-42.7	175.2	-139.8	-82.4	0	0	0	111.5	Y800 L801 K807 Y808	Y800-Y804 HydrophobicContact CE1-CD2 4.07Å; Y800-Y804 PolarHBondContact O-N 3.39Å; L801-Y804 PolarHBondContact O-N 2.74Å; Y804-K807 WeakPolarHBondContact O-CB 3.09Å; Y804-K807 PolarHBondContact O-N 3.24Å; Y804-Y808 PolarHBondContact O-N 2.91Å
805	Y	76.6	Confident	73	Confident	174 Å²	174	129.2 Å²	129.2	68%	0.682	59%	0.587	S	S	*	*	H	α-helix	trans	-67.7	-36.5	-179.6	-159.9	-95.5	0	0	0	112.8	L801 Y808 K809	L801-Y805 WeakPolarHBondContact O-CB 3.01Å; L801-Y805 PolarHBondContact O-N 3.22Å; Y805-Y808 PolarHBondContact O-N 2.91Å; Y805-K809 WeakPolarHBondContact O-CB 3.38Å; Y805-K809 PolarHBondContact O-N 2.05Å
806	T	73.8	Confident	70.8	Confident	75 Å²	75	129.8 Å²	129.8	46%	0.46	60%	0.597	S	S	.	*	H	α-helix	trans	-66.1	-39.9	171.2	43.6	0	0	0	0	112.3	K802 K803 Y808 K809 L810	K802-T806 PolarHBondContact O-N 2.85Å; K802-T806 VanDerWaalsContact O-N 3.1Å; K802-T806 PolarHBondContact O-OG1 3.41Å; K802-T806 VanDerWaalsContact O-OG1 3.07Å; K803-T806 PolarHBondContact O-OG1 3.33Å; T806-Y808 PolarHBondContact O-N 3.3Å; T806-K809 PolarHBondContact O-N 2.8Å; T806-L810 WeakPolarHBondContact O-CB 3.31Å; T806-L810 WeakPolarHBondContact O-CD1 3.21Å; T806-L810 PolarHBondContact O-N 3.08Å
807	K	74.9	Confident	68.6	Low	165 Å²	165	131.8 Å²	131.8	72%	0.717	61%	0.606	S	S	*	*	H	α-helix	trans	-59	-44.6	170.7	-97.4	-168.8	171.2	-170.5	0	111.8	K803 Y804 L810 A811	K803-K807 PolarHBondContact O-N 3.35Å; Y804-K807 WeakPolarHBondContact O-CB 3.09Å; Y804-K807 PolarHBondContact O-N 3.24Å; K807-L810 PolarHBondContact O-N 3.46Å; K807-A811 PolarHBondContact O-N 3.04Å
808	Y	68.9	Low	66.1	Low	143 Å²	143	135 Å²	135	56%	0.561	62%	0.624	S	S	*	*	H	α-helix	trans	-66.5	-40.9	-179.6	-146.1	-87	0	0	0	112.6	Y804 Y805 T806 A811 N812	Y804-Y808 PolarHBondContact O-N 2.91Å; Y805-Y808 PolarHBondContact O-N 2.91Å; T806-Y808 PolarHBondContact O-N 3.3Å; Y808-A811 PolarHBondContact O-N 3.49Å; Y808-N812 PolarHBondContact O-N 3.34Å
809	K	66.1	Low	63.5	Low	131 Å²	131	137.4 Å²	137.4	57%	0.57	64%	0.638	S	S	*	*	H	α-helix	trans	-67.8	-35.3	176.9	-166.8	172.6	-177.1	178.7	0	112.6	Y805 T806 H813	Y805-K809 WeakPolarHBondContact O-CB 3.38Å; Y805-K809 PolarHBondContact O-N 2.05Å; T806-K809 PolarHBondContact O-N 2.8Å; K809-H813 PolarHBondContact O-N 2.72Å
810	L	60.7	Low	61	Low	125 Å²	125	137 Å²	137	65%	0.654	65%	0.649	S	S	*	*	H	α-helix	trans	-70	-32.1	172.2	-97.6	127.2	0	0	0	113.1	T806 K807	T806-L810 WeakPolarHBondContact O-CB 3.31Å; T806-L810 WeakPolarHBondContact O-CD1 3.21Å; T806-L810 PolarHBondContact O-N 3.08Å; K807-L810 PolarHBondContact O-N 3.46Å
811	A	59.9	Low	58.6	Low	51 Å²	51	139 Å²	139	42%	0.421	66%	0.663	S	S	.	*	H	α-helix	trans	-68.6	-48.1	174.4	0	0	0	0	0	111.7	K807 Y808 H813 R814 N815	K807-A811 PolarHBondContact O-N 3.04Å; Y808-A811 PolarHBondContact O-N 3.49Å; A811-H813 PolarHBondContact O-N 3.14Å; A811-R814 PolarHBondContact O-N 2.79Å; A811-R814 VanDerWaalsContact O-N 3.17Å; A811-N815 PolarHBondContact O-N 2.93Å
812	N	55.1	Low	56.1	Low	95 Å²	95	142.3 Å²	142.3	51%	0.508	68%	0.681	S	S	.	*	H	α-helix	trans	-66.7	-35.5	-178	-83.1	6.2	0	0	0	113.4	Y808 R814 N815 S816	Y808-N812 PolarHBondContact O-N 3.34Å; N812-R814 PolarHBondContact O-N 3.29Å; N812-N815 PolarHBondContact O-N 2.71Å; N812-S816 PolarHBondContact O-N 3.49Å
813	H	52.6	Low	53.7	Low	136 Å²	136	138.8 Å²	138.8	63%	0.63	68%	0.682	S	S	*	*	H	α-helix	trans	-70.7	-13.5	175.3	-99.9	-68.2	0	0	0	114.7	K809 A811	K809-H813 PolarHBondContact O-N 2.72Å; A811-H813 PolarHBondContact O-N 3.14Å
814	R	49.1	Very low	51.5	Low	216 Å²	216	139 Å²	139	82%	0.815	69%	0.69	S	S	*	*	H	α-helix	trans	-92	-19.3	173	-96.6	-176.2	170.9	176.1	-2.3	114	A811 N812	A811-R814 PolarHBondContact O-N 2.79Å; A811-R814 VanDerWaalsContact O-N 3.17Å; N812-R814 PolarHBondContact O-N 3.29Å
815	N	47	Very low	49.2	Very low	121 Å²	121	140.8 Å²	140.8	65%	0.647	70%	0.704	S	S	*	*	H	α-helix	trans	-97.5	-14.4	179.7	-73.2	-7.5	0	0	0	113.7	A811 N812 F817	A811-N815 PolarHBondContact O-N 2.93Å; N812-N815 PolarHBondContact O-N 2.71Å; N815-F817 PolarHBondContact O-N 3.31Å
816	S	42	Very low	47.1	Very low	79 Å²	79	138.3 Å²	138.3	55%	0.552	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	18.5	179.4	68.6	0	0	0	0	115	N812	N812-S816 PolarHBondContact O-N 3.49Å
817	F	40	Very low	45.1	Very low	189 Å²	189	143 Å²	143	83%	0.829	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	19.7	-178.5	-137.6	-89.6	0	0	0	113.2	N815	N815-F817 PolarHBondContact O-N 3.31Å
818	L	35.8	Very low	43.1	Very low	156 Å²	156	143 Å²	143	82%	0.817	73%	0.726	S	S	*	*	S	Bend	trans	-143.4	12.6	-176.4	-127.6	112.7	0	0	0	115.3
819	M	32.6	Very low	41.3	Very low	171 Å²	171	140.5 Å²	140.5	84%	0.842	73%	0.73	S	S	*	*	S	Bend	trans	-143.5	61.2	-173.8	-82.5	-81.4	171.5	0	0	111.7
820	T	31.7	Very low	39.8	Very low	141 Å²	141	141.1 Å²	141.1	87%	0.865	74%	0.738	S	S	*	*	S	Bend	trans	-162	54.3	167	20.4	0	0	0	0	111.3
821	E	34.8	Very low	38.6	Very low	185 Å²	185	140.7 Å²	140.7	86%	0.864	74%	0.736	S	S	*	*	S	Bend	trans	-140.8	13.2	173.5	-149.7	171.5	-160.1	0	0	113.2
822	N	33.5	Very low	37.3	Very low	171 Å²	171	147.9 Å²	147.9	91%	0.914	75%	0.753	S	S	*	*	S	Bend	trans	-138.4	71.5	177.2	-87.3	-36.3	0	0	0	110.7
823	A	32.8	Very low	36.2	Very low	86 Å²	86	150.1 Å²	150.1	71%	0.711	76%	0.764	S	S	*	*	S	Bend	trans	-155.9	133.1	161.4	0	0	0	0	0	109.1
824	N	33.6	Very low	35.3	Very low	162 Å²	162	149.4 Å²	149.4	87%	0.866	77%	0.769	S	S	*	*			trans	80.9	43.9	174	-49.2	-9.8	0	0	0	117.1
825	E	31.7	Very low	34.4	Very low	184 Å²	184	146.2 Å²	146.2	86%	0.86	77%	0.768	S	S	*	*				-67.1	164.5	125.2	-69.6	-170.9	136.9	0	0	109.4
826	V	32.2	Very low	33.7	Very low	122 Å²	122	145.9 Å²	145.9	74%	0.739	78%	0.775	S	S	*	*			trans	82.4	77	-173.5	-166.5	0	0	0	0	115.1
827	Q	31.1	Very low	33.1	Very low	175 Å²	175	151.3 Å²	151.3	82%	0.818	79%	0.789	S	S	*	*			trans	-168	73.2	131	-152.3	84	15.2	0	0	107.9
828	Q	33.4	Very low	32.6	Very low	163 Å²	163	150.2 Å²	150.2	76%	0.762	79%	0.787	S	S	*	*				31.5	94.6	103.1	-71.3	-173.9	-3.5	0	0	113.1
829	S	31.6	Very low	32.2	Very low	91 Å²	91	149.3 Å²	149.3	64%	0.636	78%	0.781	S	S	*	*				94.8	146.2	71.1	69.3	0	0	0	0	113.9
830	I	34.5	Very low	31.9	Very low	145 Å²	145	151 Å²	151	74%	0.744	78%	0.779	S	S	*	*			trans	92.4	108.2	157.1	-60	161.6	0	0	0	119.6
831	N	35.2	Very low	31.9	Very low	116 Å²	116	151.8 Å²	151.8	62%	0.62	77%	0.773	S	S	*	*			trans	80.4	112.3	140.4	-71.1	-11.4	0	0	0	125.9
832	R	33.4	Very low	31.7	Very low	202 Å²	202	149.8 Å²	149.8	76%	0.762	77%	0.768	S	S	*	*				67.5	111.3	113.8	-64.3	-180	-173.8	160.6	2.2	122.9
833	D	30.9	Very low	31.4	Very low	141 Å²	141	145 Å²	145	75%	0.754	76%	0.76	S	S	*	*				68.9	147	118	-55.6	-34.5	0	0	0	124.6
834	V	35.2	Very low	31.1	Very low	121 Å²	121	152 Å²	152	73%	0.733	77%	0.769	S	S	*	*			trans	101.3	101.3	152	-165.4	0	0	0	0	119.2
835	N	29	Very low	30.9	Very low	149 Å²	149	152.2 Å²	152.2	80%	0.797	77%	0.765	S	S	*	*			trans	47.9	121.7	144.8	-57.2	-22.2	0	0	0	121.4
836	S	32.6	Very low	30.7	Very low	114 Å²	114	151.1 Å²	151.1	80%	0.797	76%	0.761	S	S	*	*				167.2	143.7	86.6	52.9	0	0	0	0	115.6
837	K	29.8	Very low	30.4	Very low	194 Å²	194	152.6 Å²	152.6	84%	0.843	76%	0.76	S	S	*	*			trans	35.1	138.9	147.4	-75.1	179.2	175.7	176.5	0	123.1
838	Q	29.2	Very low	30.3	Very low	166 Å²	166	151 Å²	151	78%	0.776	76%	0.758	S	S	*	*			trans	97.8	114.4	147.4	-78.7	174.4	-28.3	0	0	121
839	I	27.5	Very low	30	Very low	136 Å²	136	149.7 Å²	149.7	70%	0.697	75%	0.754	S	S	*	*			trans	83.4	107.2	132.2	-64.1	171.1	0	0	0	118.6
840	Y	26.4	Very low	29.7	Very low	206 Å²	206	150.1 Å²	150.1	81%	0.808	76%	0.756	S	S	*	*			trans	76.1	142.3	155.9	-81.5	-115.8	0	0	0	122.1
841	H	30.8	Very low	29.4	Very low	159 Å²	159	151.1 Å²	151.1	74%	0.736	76%	0.758	S	S	*	*			trans	74.7	133.4	162.1	-82.5	-72	0	0	0	123
842	N	32.2	Very low	29	Very low	142 Å²	142	151.7 Å²	151.7	76%	0.759	76%	0.76	S	S	*	*			trans	60.6	85.3	149.7	-62.6	7.9	0	0	0	120.4
843	G	27	Very low	28.8	Very low	71 Å²	71	149.8 Å²	149.8	73%	0.732	76%	0.759	S	S	*	*				70.6	112.1	122.9	0	0	0	0	0	119.7
844	Y	26.1	Very low	28.6	Very low	234 Å²	234	149.3 Å²	149.3	92%	0.918	76%	0.757	S	S	*	*			trans	-148.1	155.6	163.6	-103.6	-78.4	0	0	0	114.8
845	H	29.5	Very low	28.3	Very low	166 Å²	166	148.6 Å²	148.6	77%	0.769	75%	0.753	S	S	*	*			trans	-61.7	162.6	172.1	-88.2	-110.8	0	0	0	115.5
846	M	27.6	Very low	28.2	Very low	160 Å²	160	148.2 Å²	148.2	79%	0.788	75%	0.751	S	S	*	*			trans	-160.5	126.3	130.9	-82.1	-45.9	178.7	0	0	107.3
847	E	24.8	Very low	28.1	Very low	154 Å²	154	149.7 Å²	149.7	72%	0.72	75%	0.748	S	S	*	*				75.7	142.7	72.8	-76.1	-158.8	156.3	0	0	116.5
848	N	29.5	Very low	28.1	Very low	142 Å²	142	146.7 Å²	146.7	76%	0.759	74%	0.74	S	S	*	*			trans	107.6	143.5	173.6	-61	-40.1	0	0	0	117
849	I	27.7	Very low	28.1	Very low	135 Å²	135	145.5 Å²	145.5	69%	0.692	74%	0.738	S	S	*	*			cis	-169.7	152.7	-15.2	-110.1	164.9	0	0	0	107.7
850	C	25.3	Very low	28.4	Very low	100 Å²	100	145.2 Å²	145.2	68%	0.676	74%	0.738	S	S	*	*			trans	65.7	154.3	166.4	-73.8	0	0	0	0	119.1
851	Q	28.6	Very low	28.7	Very low	166 Å²	166	141.3 Å²	141.3	78%	0.776	73%	0.731	S	S	*	*			cis	-161.8	174.2	-7.1	-115.2	166.5	5.6	0	0	112.2
852	L	25.2	Very low	28.9	Very low	127 Å²	127	139.5 Å²	139.5	67%	0.665	73%	0.727	S	S	*	*			trans	-39.6	162.4	177.5	-66.4	73.8	0	0	0	117
853	H	29.3	Very low	29	Very low	162 Å²	162	142.8 Å²	142.8	75%	0.75	73%	0.728	S	S	*	*			cis	-149.7	147.9	40.2	-82.7	-106.3	0	0	0	111.3
854	N	27.6	Very low	29.2	Very low	132 Å²	132	145.4 Å²	145.4	71%	0.706	73%	0.725	S	S	*	*				56	129.5	70.2	-97	-0.3	0	0	0	113.5
855	T	29	Very low	29.5	Very low	106 Å²	106	140.1 Å²	140.1	65%	0.65	71%	0.713	S	S	*	*			cis	-160.6	150.2	34.4	46.6	0	0	0	0	114.9
856	N	27.1	Very low	29.7	Very low	140 Å²	140	139.5 Å²	139.5	75%	0.749	71%	0.708	S	S	*	*			trans	53.7	143.3	135	-52	-15.9	0	0	0	120.5
857	I	29.7	Very low	30	Very low	145 Å²	145	137.2 Å²	137.2	74%	0.744	70%	0.695	S	S	*	*				-164.7	126	71.8	-90.2	175.1	0	0	0	112.4
858	I	30.1	Very low	30.4	Very low	132 Å²	132	138.5 Å²	138.5	68%	0.677	69%	0.693	S	S	*	*			trans	60.8	108.2	134.6	-55.5	-175	0	0	0	118.1
859	I	30	Very low	30.5	Very low	141 Å²	141	139.1 Å²	139.1	72%	0.723	69%	0.689	S	S	*	*				71.3	135.2	81	-63.8	160.3	0	0	0	111.4
860	D	33.7	Very low	30.6	Very low	130 Å²	130	138.2 Å²	138.2	70%	0.695	69%	0.686	S	S	*	*			cis	-142.3	137.4	28.9	-106.4	-42	0	0	0	109.5
861	N	33	Very low	30.8	Very low	124 Å²	124	139.7 Å²	139.7	66%	0.663	69%	0.692	S	S	*	*				78.1	132.7	77.2	-91	-37.2	0	0	0	118.6
862	N	34.8	Very low	30.7	Very low	121 Å²	121	139.6 Å²	139.6	65%	0.647	69%	0.691	S	S	*	*			trans	70	146	150.3	-65.7	-43.1	0	0	0	118.4
863	R	33.1	Very low	30.7	Very low	210 Å²	210	138.3 Å²	138.3	79%	0.792	69%	0.692	S	S	*	*			cis	-157.6	136.1	3.5	-131.2	162.9	-176.6	-172.6	-1.2	112.7
864	L	31.6	Very low	30.6	Very low	126 Å²	126	136.5 Å²	136.5	66%	0.66	69%	0.688	S	S	*	*			trans	28.9	135.1	140.2	-77.6	96.1	0	0	0	122.3
865	N	33.5	Very low	30.6	Very low	124 Å²	124	137.2 Å²	137.2	66%	0.663	69%	0.69	S	S	*	*			trans	84.8	147.6	131.4	-71.7	-2.4	0	0	0	118.7
866	K	33	Very low	30.6	Very low	153 Å²	153	139.4 Å²	139.4	67%	0.665	70%	0.696	S	S	*	*			cis	-162.1	162	-1.8	-126.5	-178.8	169.3	-143.5	0	109.4
867	E	33.7	Very low	30.6	Very low	112 Å²	112	140.3 Å²	140.3	52%	0.523	70%	0.696	S	S	.	*			trans	32.7	146.7	135.5	-71.5	-174.8	128.2	0	0	121.3
868	R	32.1	Very low	30.6	Very low	180 Å²	180	140.2 Å²	140.2	68%	0.679	69%	0.692	S	S	*	*			cis	-178.8	153.5	-2.3	-123.6	176.5	168.5	159.5	-12.8	107.6
869	K	32.2	Very low	30.6	Very low	156 Å²	156	140.8 Å²	140.8	68%	0.678	70%	0.697	S	S	*	*			trans	63	164.5	147.3	-63.7	-170.2	173.8	-171.5	0	118.2
870	D	29.4	Very low	30.6	Very low	116 Å²	116	143 Å²	143	62%	0.62	70%	0.704	S	S	*	*			cis	-171.3	154.3	-33.3	-92.4	-22.1	0	0	0	104.3
871	T	29.6	Very low	30.7	Very low	130 Å²	130	141.2 Å²	141.2	80%	0.798	70%	0.699	S	S	*	*			trans	61.3	155	155.2	48.3	0	0	0	0	119
872	E	27.1	Very low	30.8	Very low	164 Å²	164	142.4 Å²	142.4	77%	0.766	71%	0.706	S	S	*	*			cis	-173.7	158	-28.3	-157	165	-160.2	0	0	105.6
873	C	24.8	Very low	31	Very low	100 Å²	100	144.4 Å²	144.4	68%	0.676	71%	0.711	S	S	*	*			trans	63.5	159.6	168.5	-66.6	0	0	0	0	117
874	D	28.4	Very low	31.3	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	70%	0.702	S	S	*	*			cis	-158.4	151	-19.3	-106.5	-29.7	0	0	0	109.3
875	I	26.3	Very low	31.6	Very low	147 Å²	147	141.2 Å²	141.2	75%	0.754	71%	0.71	S	S	*	*			trans	39.2	148.8	141.9	-39.5	168.2	0	0	0	121.1
876	I	30.5	Very low	31.8	Very low	151 Å²	151	139.9 Å²	139.9	77%	0.774	71%	0.707	S	S	*	*			trans	114.8	91.4	153.2	-53.4	175.7	0	0	0	115.6
877	E	26.2	Very low	31.9	Very low	159 Å²	159	140.2 Å²	140.2	74%	0.743	71%	0.711	S	S	*	*				35.6	144.8	118.6	-107.3	-179.7	-137.8	0	0	124
878	Q	29.4	Very low	31.9	Very low	143 Å²	143	141.6 Å²	141.6	67%	0.668	72%	0.718	S	S	*	*			trans	98	112.5	143.7	-76.7	-179.9	45.6	0	0	122.9
879	N	31.1	Very low	31.8	Very low	145 Å²	145	139.8 Å²	139.8	78%	0.775	72%	0.716	S	S	*	*			trans	94.2	126	131.9	-57.4	-19.2	0	0	0	122.7
880	Q	29	Very low	32	Very low	186 Å²	186	140.5 Å²	140.5	87%	0.869	72%	0.722	S	S	*	*			trans	-78.3	-165.9	163.6	-53.3	174.2	-60.4	0	0	110.6
881	P	36.8	Very low	32	Very low	93 Å²	93	141.6 Å²	141.6	60%	0.604	72%	0.723	S	S	*	*			cis	-133.4	-175.1	-10.1	28.7	-4.6	0	0	0	114.4
882	D	35.1	Very low	32.2	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	73%	0.729	S	S	*	*				-173.3	116.9	127	-96.7	-24	0	0	0	116.4
883	H	38.1	Very low	32.3	Very low	163 Å²	163	145.8 Å²	145.8	76%	0.755	73%	0.726	S	S	*	*			trans	-4.5	176.1	142	-69.5	-61.8	0	0	0	124
884	P	39.1	Very low	32.7	Very low	94 Å²	94	148 Å²	148	61%	0.61	73%	0.726	S	S	*	*			cis	-149.3	-176.4	-39	42	-23.7	0	0	0	118.1
885	H	38.7	Very low	32.9	Very low	175 Å²	175	149 Å²	149	81%	0.81	73%	0.726	S	S	*	*			trans	99.2	156.6	137.3	-84.5	-30.7	0	0	0	124.3
886	P	36.6	Very low	32.9	Very low	95 Å²	95	150.1 Å²	150.1	62%	0.617	73%	0.729	S	S	*	*				-136.8	-150.4	-121.6	48.1	-29.4	0	0	0	117.7
887	H	36.3	Very low	32.8	Very low	161 Å²	161	150.8 Å²	150.8	75%	0.745	73%	0.733	S	S	*	*			trans	99.5	154.9	174.5	-64.9	-81.7	0	0	0	117.1
888	Q	32.6	Very low	32.8	Very low	140 Å²	140	152 Å²	152	65%	0.654	74%	0.738	S	S	*	*			cis	-171.4	153.3	-39.8	-138	180	-33.5	0	0	110.2
889	H	31.2	Very low	33.1	Very low	142 Å²	142	150.1 Å²	150.1	66%	0.657	74%	0.738	S	S	*	*			trans	46.2	134.2	163.4	-65.3	-71.2	0	0	0	121.7
890	H	35.3	Very low	32.9	Very low	171 Å²	171	150.7 Å²	150.7	79%	0.792	74%	0.738	S	S	*	*				-166.9	172.4	72.6	-106.1	-74.3	0	0	0	114.8
891	Q	30.1	Very low	32.7	Very low	140 Å²	140	148.6 Å²	148.6	65%	0.654	73%	0.733	S	S	*	*			trans	-92.9	167.7	-174.3	-54.8	154.3	-72.3	0	0	113.4
892	Y	33.7	Very low	32.3	Very low	233 Å²	233	149.8 Å²	149.8	91%	0.914	74%	0.743	S	S	*	*				-147.8	151.2	129.5	-113	-80.3	0	0	0	112
893	Q	28.8	Very low	31.8	Very low	149 Å²	149	149.8 Å²	149.8	70%	0.696	74%	0.743	S	S	*	*			trans	-114	178.9	-169.2	-65.1	174.7	-46.6	0	0	113
894	Q	33.4	Very low	31.4	Very low	147 Å²	147	147.3 Å²	147.3	69%	0.687	74%	0.741	S	S	*	*			trans	124.1	142.7	142.2	-65.7	-179.9	1.7	0	0	113.2
895	Q	31.4	Very low	30.7	Very low	144 Å²	144	151.5 Å²	151.5	67%	0.673	75%	0.75	S	S	*	*			cis	-158.7	138.4	-11	-106.7	156.4	5.2	0	0	106.9
896	Q	28.2	Very low	30	Very low	172 Å²	172	148.5 Å²	148.5	80%	0.804	75%	0.749	S	S	*	*				50.1	136.9	104	-59.6	-174.2	-2	0	0	115.7
897	L	27.3	Very low	29.4	Very low	165 Å²	165	153.3 Å²	153.3	86%	0.864	76%	0.76	S	S	*	*				-148.9	169.5	53.2	-97.9	90.7	0	0	0	115.9
898	H	26.7	Very low	28.7	Very low	183 Å²	183	154.4 Å²	154.4	85%	0.847	77%	0.765	S	S	*	*			trans	-104.9	-151	178.6	-80.8	-78.8	0	0	0	112.2
899	P	34.6	Very low	28.3	Very low	104 Å²	104	153.6 Å²	153.6	68%	0.675	77%	0.77	S	S	*	*				-128.2	-168.6	-82.1	41.1	-24.9	0	0	0	113.4
900	M	27.6	Very low	27.9	Very low	157 Å²	157	154.4 Å²	154.4	77%	0.773	78%	0.779	S	S	*	*			trans	165.2	134.2	130.8	-88.6	-70.3	-169.5	0	0	114.5
901	N	25.7	Very low	27.3	Very low	143 Å²	143	154.1 Å²	154.1	77%	0.765	78%	0.778	S	S	*	*			trans	16.5	145.5	144.6	-53.1	-18.7	0	0	0	120.9
902	S	27.2	Very low	26.9	Very low	117 Å²	117	158.8 Å²	158.8	82%	0.818	79%	0.791	S	S	*	*			cis	-166.9	163.4	40.2	44.9	0	0	0	0	115.2
903	L	24.9	Very low	26.3	Very low	150 Å²	150	155.1 Å²	155.1	79%	0.785	79%	0.785	S	S	*	*			trans	-74.6	166.1	165.9	-122.9	80.1	0	0	0	111.3
904	P	29	Very low	26	Very low	112 Å²	112	156.8 Å²	156.8	73%	0.727	79%	0.793	S	S	*	*				-157.5	156.1	54.5	40.6	-17.6	0	0	0	121.8
905	K	24.6	Very low	25.4	Very low	181 Å²	181	154.5 Å²	154.5	79%	0.787	79%	0.792	S	S	*	*			trans	54.5	125.8	137.1	-65.4	177.8	178.1	178.8	0	124.6
906	S	23.7	Very low	24.9	Very low	112 Å²	112	154.8 Å²	154.8	78%	0.783	80%	0.797	S	S	*	*			trans	71	147.9	144.2	75.2	0	0	0	0	118.2
907	K	25.1	Very low	24.6	Very low	197 Å²	197	156 Å²	156	86%	0.857	80%	0.8	S	S	*	*			cis	-135	168.2	22.5	-74.4	174.9	172.9	174.4	0	113.6
908	Q	22.4	Very low	24.3	Very low	183 Å²	183	153.7 Å²	153.7	86%	0.855	79%	0.793	S	S	*	*			trans	-65.8	143.9	171.3	-63.9	159.2	-66.2	0	0	112.8
909	T	23.6	Very low	24	Very low	124 Å²	124	155.7 Å²	155.7	76%	0.761	79%	0.794	S	S	*	*			trans	-141.4	135.1	146.4	34.8	0	0	0	0	109.1	Q911	T909-Q911 PolarHBondContact O-N 3.04Å
910	N	22.5	Very low	23.5	Very low	159 Å²	159	156.3 Å²	156.3	85%	0.85	80%	0.799	S	S	*	*			trans	-75.1	121.1	174.7	-62.7	-20.9	0	0	0	108.9
911	Q	23.3	Very low	23.3	Very low	164 Å²	164	156.4 Å²	156.4	77%	0.766	80%	0.801	S	S	*	*			trans	-138.1	126.7	166.9	-73.1	-169.7	-37.8	0	0	111	T909	T909-Q911 PolarHBondContact O-N 3.04Å
912	Y	21.2	Very low	23.3	Very low	238 Å²	238	156.6 Å²	156.6	93%	0.933	80%	0.802	S	S	*	*			trans	-60.2	143.8	162.2	-74.1	-111.3	0	0	0	108.8
913	M	22.1	Very low	23.3	Very low	156 Å²	156	159.6 Å²	159.6	77%	0.768	80%	0.801	S	S	*	*			trans	-124.1	95	174	-91.8	-101.5	172.5	0	0	110.1
914	E	20.6	Very low	23.2	Very low	185 Å²	185	156.9 Å²	156.9	86%	0.864	79%	0.794	S	S	*	*			trans	-67.5	128.1	144.1	-64.5	177.8	122.5	0	0	107.7	L916	E914-L916 PolarHBondContact O-N 2.6Å
915	C	22.2	Very low	23.1	Very low	99 Å²	99	159 Å²	159	67%	0.669	80%	0.8	S	S	*	*			trans	-99.5	79.2	174.6	-73.7	0	0	0	0	110.7
916	L	20.2	Very low	23	Very low	149 Å²	149	156.2 Å²	156.2	78%	0.78	80%	0.798	S	S	*	*			trans	-79.5	117.9	162.9	-147.1	86.2	0	0	0	108.5	E914 T918	E914-L916 PolarHBondContact O-N 2.6Å; L916-T918 HydrophobicContact CD2-CG2 4.25Å
917	F	21.1	Very low	22.9	Very low	199 Å²	199	158.1 Å²	158.1	87%	0.873	80%	0.797	S	S	*	*			trans	-94.2	104.4	172.9	-93.6	-81.7	0	0	0	111
918	T	21.8	Very low	22.7	Very low	115 Å²	115	155.8 Å²	155.8	71%	0.706	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-96.5	138.6	171.8	39.7	0	0	0	0	111.5	L916	L916-T918 HydrophobicContact CD2-CG2 4.25Å
919	Y	20.8	Very low	22.7	Very low	225 Å²	225	154.4 Å²	154.4	88%	0.882	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.2	141	176	-89.6	-99.6	0	0	0	112.2
920	P	24.9	Very low	22.7	Very low	118 Å²	118	159.3 Å²	159.3	77%	0.766	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-87.2	124.4	162.9	31.8	-28.3	0	0	0	111.5
921	L	23.2	Very low	22.6	Very low	159 Å²	159	156.9 Å²	156.9	83%	0.832	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.5	143	161.4	-73	96.2	0	0	0	110.1
922	N	24.7	Very low	22.7	Very low	147 Å²	147	156.6 Å²	156.6	79%	0.786	79%	0.788	S	S	*	*				-179.3	165.1	104.1	-118.7	-41.6	0	0	0	116.3
923	K	26.3	Very low	22.8	Very low	179 Å²	179	149.3 Å²	149.3	78%	0.778	77%	0.772	S	S	*	*			trans	75.8	93.3	158.4	-74.9	177.8	179.8	-176.9	0	120
924	S	23.4	Very low	22.9	Very low	93 Å²	93	152 Å²	152	65%	0.65	78%	0.775	S	S	*	*				44.8	115	118.3	62.5	0	0	0	0	119.5
925	N	27.4	Very low	23.2	Very low	158 Å²	158	151.1 Å²	151.1	85%	0.845	78%	0.775	S	S	*	*				-154.9	135.9	103.2	-95	-18	0	0	0	112
926	T	21.9	Very low	23.4	Very low	121 Å²	121	156.1 Å²	156.1	74%	0.742	79%	0.785	S	S	*	*			trans	-56.6	147.3	163.9	43.4	0	0	0	0	111.9
927	I	22.4	Very low	23.7	Very low	152 Å²	152	154 Å²	154	78%	0.779	78%	0.783	S	S	*	*				-174.2	130.2	125.8	-100.6	156.9	0	0	0	114
928	L	21.5	Very low	24.1	Very low	148 Å²	148	150.7 Å²	150.7	78%	0.775	78%	0.782	S	S	*	*			trans	53.9	119.3	159.3	-82.3	120.5	0	0	0	124.1
929	H	21	Very low	24.3	Very low	155 Å²	155	152 Å²	152	72%	0.718	78%	0.783	S	S	*	*			trans	-40	149.7	149.8	-69.5	-113.3	0	0	0	115.1
930	Y	23.3	Very low	24.7	Very low	227 Å²	227	151.3 Å²	151.3	89%	0.89	78%	0.78	S	S	*	*				-140.4	116.6	125	-110.5	-81.3	0	0	0	110.7
931	T	22	Very low	24.9	Very low	107 Å²	107	151.6 Å²	151.6	66%	0.656	78%	0.775	S	S	*	*			trans	-85.1	140.6	167.7	44.8	0	0	0	0	109.8
932	N	25.5	Very low	25	Very low	159 Å²	159	152.1 Å²	152.1	85%	0.85	77%	0.773	S	S	*	*			trans	-141.6	99	152.3	-114.1	-13.2	0	0	0	110.5
933	S	23.5	Very low	25.3	Very low	85 Å²	85	154.1 Å²	154.1	59%	0.594	78%	0.778	S	S	*	*			trans	-62.9	154.6	161.7	50.2	0	0	0	0	111.5
934	Y	24.1	Very low	25.3	Very low	213 Å²	213	151.3 Å²	151.3	84%	0.835	77%	0.771	S	S	*	*				-174.3	149.9	121.5	-98.9	-64.6	0	0	0	112.3
935	L	26.8	Very low	25.8	Very low	166 Å²	166	154.5 Å²	154.5	87%	0.869	78%	0.776	S	S	*	*			trans	99.8	68.4	166.1	-65.8	155	0	0	0	119.9
936	K	25.5	Very low	25.8	Very low	203 Å²	203	153 Å²	153	88%	0.883	77%	0.768	S	S	*	*			trans	3.9	137	140.4	-65.9	176.6	173.3	179.1	0	121.3
937	S	26	Very low	26.2	Very low	104 Å²	104	154 Å²	154	73%	0.727	77%	0.769	S	S	*	*			trans	-67.4	-177	155.7	-33.4	0	0	0	0	113.7
938	P	30.5	Very low	26.5	Very low	131 Å²	131	152 Å²	152	85%	0.851	76%	0.763	S	S	*	*				-134.2	158.9	110.4	38	-29.7	0	0	0	116.1
939	I	25.4	Very low	27	Very low	142 Å²	142	150.7 Å²	150.7	73%	0.728	76%	0.757	S	S	*	*			trans	-82.7	160.3	173.5	-65.2	149	0	0	0	109.3
940	Y	29.9	Very low	27.7	Very low	211 Å²	211	150.6 Å²	150.6	83%	0.827	76%	0.757	S	S	*	*			trans	-165.8	114.5	132.3	-112.7	-76.1	0	0	0	113.9
941	D	29	Very low	28.1	Very low	124 Å²	124	145.6 Å²	145.6	66%	0.663	75%	0.745	S	S	*	*			trans	63.6	148.6	146.7	-67.2	5.2	0	0	0	127.4
942	Q	25.2	Very low	28.7	Very low	169 Å²	169	146 Å²	146	79%	0.79	74%	0.744	S	S	*	*			trans	-90.1	161.3	-179.7	-52.4	155.6	-90.4	0	0	110.3
943	Q	30	Very low	29.1	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	74%	0.736	S	S	*	*				-176.7	152.2	116.1	-102.5	173.6	-13	0	0	114.3
944	D	27.6	Very low	29.4	Very low	120 Å²	120	147 Å²	147	64%	0.642	74%	0.742	S	S	*	*			trans	-63.1	149.1	-173.5	-46.1	-80.2	0	0	0	115.3
945	H	33.8	Very low	29.9	Very low	161 Å²	161	143.6 Å²	143.6	75%	0.745	74%	0.739	S	S	*	*				168.4	122.4	100.4	-91.9	-59	0	0	0	114.2
946	N	27.6	Very low	30	Very low	125 Å²	125	143.1 Å²	143.1	67%	0.668	73%	0.732	S	S	*	*				39.9	131	127.6	-61.1	-5.4	0	0	0	122.3
947	N	28.7	Very low	30.2	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	72%	0.723	S	S	*	*				99.9	128.5	124.9	-83.5	14.6	0	0	0	121.8
948	V	30.4	Very low	30.2	Very low	109 Å²	109	142.4 Å²	142.4	66%	0.661	73%	0.729	S	S	*	*				92.1	95.9	129.8	167.1	0	0	0	0	117.9
949	D	31.9	Very low	30.1	Very low	121 Å²	121	141.2 Å²	141.2	65%	0.647	72%	0.721	S	S	*	*				89.3	135.1	118.2	-72.1	17.4	0	0	0	123.3
950	Q	34.4	Very low	30.2	Very low	153 Å²	153	143.1 Å²	143.1	72%	0.715	73%	0.726	S	S	*	*			trans	87.2	103.2	133.3	-77.4	164.8	34	0	0	120.4
951	N	31.4	Very low	29.7	Very low	122 Å²	122	143 Å²	143	65%	0.652	73%	0.73	S	S	*	*				94.8	127.4	110.6	-83.5	41.4	0	0	0	122
952	D	34.7	Very low	29.6	Very low	117 Å²	117	143 Å²	143	63%	0.626	74%	0.735	S	S	*	*				91.4	111.8	128	-63	-5.9	0	0	0	121.7
953	N	34.6	Very low	29.4	Very low	127 Å²	127	143.9 Å²	143.9	68%	0.679	74%	0.741	S	S	*	*			trans	86.3	116	131.6	-57.1	-8	0	0	0	120.6
954	D	30.9	Very low	29.2	Very low	136 Å²	136	142.5 Å²	142.5	73%	0.727	74%	0.74	S	S	*	*				44.7	112.3	119.2	-48.1	-22.9	0	0	0	118.8
955	D	32.8	Very low	28.9	Very low	143 Å²	143	141.7 Å²	141.7	77%	0.765	74%	0.744	S	S	*	*				179.2	140.5	93.7	-104	-23.1	0	0	0	113.9
956	H	29.6	Very low	28.4	Very low	155 Å²	155	140 Å²	140	72%	0.718	75%	0.749	S	S	*	*			trans	37.3	136.3	142.6	-81.8	-76.8	0	0	0	125.6
957	D	30.7	Very low	28.2	Very low	130 Å²	130	141.3 Å²	141.3	70%	0.695	75%	0.754	S	S	*	*			trans	86.6	94.8	140.2	-63.6	-1.9	0	0	0	123.4
958	L	24.4	Very low	28	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	76%	0.76	S	S	*	*				69.2	171.2	127.6	-117.6	79.6	0	0	0	119.3
959	P	28.8	Very low	27.7	Very low	105 Å²	105	144.9 Å²	144.9	68%	0.682	76%	0.764	S	S	*	*				-115.8	153	-109.8	38.9	-25.3	0	0	0	114.8
960	H	26.9	Very low	27.5	Very low	182 Å²	182	149.1 Å²	149.1	84%	0.843	78%	0.777	S	S	*	*			trans	-140.4	127.3	167	-99.6	-76.7	0	0	0	114.5
961	F	21.1	Very low	27.1	Very low	209 Å²	209	148.3 Å²	148.3	92%	0.917	78%	0.778	S	S	*	*			trans	-76.3	127.8	157.3	-98.9	-97.3	0	0	0	109.3
962	T	25.6	Very low	27	Very low	124 Å²	124	150.3 Å²	150.3	76%	0.761	79%	0.788	S	S	*	*			trans	-143.5	124.5	157.4	41.3	0	0	0	0	109.9
963	M	22.3	Very low	26.6	Very low	188 Å²	188	151.5 Å²	151.5	93%	0.926	80%	0.795	S	S	*	*			trans	-63.9	144.5	155.6	-80.1	176.5	141	0	0	108.3
964	D	24.5	Very low	26.2	Very low	160 Å²	160	152.9 Å²	152.9	86%	0.856	80%	0.801	S	S	*	*			trans	-150.4	138.9	144.6	-119.9	-30.2	0	0	0	113.8
965	S	22.1	Very low	26	Very low	103 Å²	103	150.4 Å²	150.4	72%	0.72	79%	0.792	S	S	*	*			trans	-91.8	142.6	177.3	51.5	0	0	0	0	110.8
966	C	23.5	Very low	25.7	Very low	125 Å²	125	151.5 Å²	151.5	85%	0.845	79%	0.793	S	S	*	*			trans	-129.5	103.8	173.1	-93.8	0	0	0	0	113
967	I	22.5	Very low	25.5	Very low	152 Å²	152	151.3 Å²	151.3	78%	0.779	79%	0.792	S	S	*	*			trans	-84.2	134.8	157	-65	171.5	0	0	0	107.6	T969	I967-T969 HydrophobicContact CG2-CG2 4.32Å
968	K	25.5	Very low	25.3	Very low	205 Å²	205	151.8 Å²	151.8	89%	0.891	79%	0.793	S	S	*	*			trans	-132.3	96.4	164.8	-97.2	-179.5	177.7	169.5	0	111
969	T	23.9	Very low	25.3	Very low	122 Å²	122	148.6 Å²	148.6	75%	0.748	79%	0.785	S	S	*	*			trans	-79.7	142	164.3	45.2	0	0	0	0	110.6	I967	I967-T969 HydrophobicContact CG2-CG2 4.32Å
970	K	26.8	Very low	25.1	Very low	210 Å²	210	153.6 Å²	153.6	91%	0.913	80%	0.795	S	S	*	*			trans	-116.4	122.5	167.4	-119.6	-178.8	179.4	-178.4	0	109.3
971	N	25.7	Very low	25.2	Very low	137 Å²	137	150.9 Å²	150.9	73%	0.733	80%	0.797	S	S	*	*			trans	-68.7	151.8	176.7	-70.3	-25.9	0	0	0	111.6
972	N	30.6	Very low	25.4	Very low	163 Å²	163	146.8 Å²	146.8	87%	0.872	79%	0.789	S	S	*	*			trans	-155.4	138.3	133.1	-99	-21.6	0	0	0	110.6
973	N	26	Very low	25.4	Very low	143 Å²	143	149 Å²	149	77%	0.765	80%	0.795	S	S	*	*			trans	-75.7	176.1	177.5	-52	-57.6	0	0	0	110.2
974	L	25.1	Very low	25.5	Very low	156 Å²	156	146 Å²	146	82%	0.817	78%	0.784	S	S	*	*			cis	-166.2	-164.4	29.2	-157.6	74.9	0	0	0	107.1
975	P	28.6	Very low	25.6	Very low	83 Å²	83	145.5 Å²	145.5	54%	0.539	78%	0.779	S	S	.	*				-122.7	177	-100.1	44.7	-30.2	0	0	0	116.3
976	Q	24.6	Very low	25.8	Very low	167 Å²	167	146.6 Å²	146.6	78%	0.78	78%	0.781	S	S	*	*			trans	63	154.1	144.3	-76.5	164	10.1	0	0	118.3
977	H	25.7	Very low	25.9	Very low	150 Å²	150	145.9 Å²	145.9	69%	0.694	78%	0.777	S	S	*	*			cis	-162.5	169.7	12.6	-137.2	-67.7	0	0	0	110.4
978	I	27.4	Very low	26.2	Very low	141 Å²	141	143.1 Å²	143.1	72%	0.723	77%	0.772	S	S	*	*			trans	91.1	112.4	149.4	-67.4	158.5	0	0	0	121.3
979	S	25.3	Very low	26.4	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	77%	0.767	S	S	*	*			trans	47	118.3	147.7	68.5	0	0	0	0	121.8
980	K	24.1	Very low	26.4	Very low	209 Å²	209	142.3 Å²	142.3	91%	0.909	77%	0.768	S	S	*	*				64.9	100.6	75.4	-79.6	-172.4	174.1	-179.3	0	115.6
981	S	29.5	Very low	26.3	Very low	126 Å²	126	138.8 Å²	138.8	88%	0.881	76%	0.756	S	S	*	*			trans	-148.7	126.3	131.4	47.5	0	0	0	0	110.9
982	T	24.4	Very low	26.4	Very low	122 Å²	122	140.4 Å²	140.4	75%	0.748	76%	0.756	S	S	*	*			trans	-80.8	138.5	-177.4	37.8	0	0	0	0	113.2
983	L	25.4	Very low	26.1	Very low	170 Å²	170	138.2 Å²	138.2	89%	0.89	75%	0.748	S	S	*	*			trans	-158	103.9	133.5	-114.9	116.2	0	0	0	106.7
984	N	25.1	Very low	26.1	Very low	127 Å²	127	137.4 Å²	137.4	68%	0.679	75%	0.751	S	S	*	*				47.4	128.2	71	-89.2	9.8	0	0	0	112.5
985	I	25.7	Very low	26.1	Very low	149 Å²	149	136.2 Å²	136.2	76%	0.764	74%	0.744	S	S	*	*			cis	-144.8	-178.8	-12.1	0.9	166.8	0	0	0	106
986	V	26.4	Very low	26	Very low	125 Å²	125	141.4 Å²	141.4	76%	0.758	76%	0.761	S	S	*	*			cis	-140.2	158.1	26.8	178.6	0	0	0	0	109.6
987	S	26.4	Very low	26	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	76%	0.761	S	S	*	*			trans	-134.7	148.3	163.5	55.2	0	0	0	0	110.1
988	S	27.9	Very low	26.1	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	76%	0.764	S	S	*	*			trans	-176.9	143.4	164.3	48.6	0	0	0	0	110.9
989	N	29.3	Very low	25.9	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	77%	0.765	S	S	*	*			cis	-145.3	135.1	-20.7	-76.6	-37.5	0	0	0	104.3
990	Q	25.5	Very low	25.9	Very low	162 Å²	162	141.6 Å²	141.6	76%	0.757	77%	0.766	S	S	*	*			cis	73.1	139.8	42.3	-123.9	-162.8	47.3	0	0	115.9
991	M	23.8	Very low	26	Very low	136 Å²	136	138 Å²	138	67%	0.67	76%	0.757	S	S	*	*			trans	80.5	145.8	167	-62.2	-168.2	172.6	0	0	118
992	K	27.7	Very low	25.6	Very low	171 Å²	171	137.1 Å²	137.1	74%	0.743	75%	0.751	S	S	*	*			cis	-155.4	152.7	-0.3	-125	160.8	-176.3	159.7	0	111.8
993	V	23.9	Very low	25.6	Very low	116 Å²	116	137.7 Å²	137.7	70%	0.703	76%	0.758	S	S	*	*			trans	-85.8	158.4	169.9	175.9	0	0	0	0	109.8	I995	V993-I995 HydrophobicContact CG1-CG1 3.96Å
994	P	26.3	Very low	25.5	Very low	127 Å²	127	136.9 Å²	136.9	83%	0.825	75%	0.753	S	S	*	*			trans	-125.7	140.5	130.7	31.6	-21.1	0	0	0	112.8
995	I	24.1	Very low	25.7	Very low	131 Å²	131	138.4 Å²	138.4	67%	0.672	76%	0.756	S	S	*	*			trans	-91.8	132.3	175.3	-66.1	159	0	0	0	107.2	V993	V993-I995 HydrophobicContact CG1-CG1 3.96Å
996	E	27.1	Very low	25.7	Very low	191 Å²	191	139.1 Å²	139.1	89%	0.893	75%	0.753	S	S	*	*			trans	-127.9	126.9	152.4	-73.6	-163.6	149.7	0	0	110.3
997	H	25	Very low	25.6	Very low	169 Å²	169	139.9 Å²	139.9	78%	0.782	75%	0.754	S	S	*	*			trans	-85.8	130.8	173	-74.9	92.3	0	0	0	109.6
998	S	27.2	Very low	25.7	Very low	106 Å²	106	141 Å²	141	74%	0.741	76%	0.755	S	S	*	*			trans	-168.3	116.7	142.7	7.2	0	0	0	0	108.8
999	I	24.1	Very low	25.7	Very low	145 Å²	145	144 Å²	144	74%	0.744	76%	0.763	S	S	*	*				86.8	120.3	70.9	-75.5	167.4	0	0	0	112.1
1000	I	25.4	Very low	25.4	Very low	138 Å²	138	144 Å²	144	71%	0.708	76%	0.762	S	S	*	*			trans	84	108.7	153.6	-72.7	167.8	0	0	0	120.4
1001	N	25.4	Very low	25.5	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	77%	0.766	S	S	*	*				54.6	123.7	126.4	-52.9	-9	0	0	0	122.6
1002	S	22.3	Very low	25.5	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	76%	0.764	S	S	*	*			trans	15.7	125.6	133.2	64.3	0	0	0	0	120
1003	C	23.6	Very low	25.4	Very low	134 Å²	134	139.1 Å²	139.1	91%	0.905	77%	0.772	S	S	*	*			trans	-144.8	120.9	139.4	-95.3	0	0	0	0	111
1004	I	23.3	Very low	25.5	Very low	154 Å²	154	142.1 Å²	142.1	79%	0.79	77%	0.772	S	S	*	*			trans	-78.4	127.9	156.5	-65.4	165.2	0	0	0	105.8
1005	H	28.7	Very low	25.6	Very low	158 Å²	158	145.2 Å²	145.2	73%	0.731	78%	0.775	S	S	*	*			trans	179.8	130	130.6	-107.2	-85.5	0	0	0	114
1006	K	26.2	Very low	25.7	Very low	164 Å²	164	144.8 Å²	144.8	71%	0.713	78%	0.775	S	S	*	*			trans	17.8	135.4	141.6	-71.5	-173.2	176.2	-177.1	0	122
1007	D	24.5	Very low	25.9	Very low	142 Å²	142	144 Å²	144	76%	0.759	78%	0.776	S	S	*	*			trans	64.2	119	143	-50.7	-29.2	0	0	0	119.3
1008	V	28.5	Very low	25.8	Very low	133 Å²	133	141.3 Å²	141.3	81%	0.806	78%	0.775	S	S	*	*				177.9	119.4	129	148	0	0	0	0	112.6
1009	L	28	Very low	25.9	Very low	159 Å²	159	144.7 Å²	144.7	83%	0.832	78%	0.784	S	S	*	*			trans	40.9	139.2	154	-72.1	90.7	0	0	0	124.9
1010	L	22.4	Very low	26	Very low	146 Å²	146	147.1 Å²	147.1	76%	0.764	79%	0.789	S	S	*	*			trans	-69.2	173.2	166.4	-73.2	81.1	0	0	0	113.4
1011	P	27.4	Very low	26.3	Very low	130 Å²	130	149.2 Å²	149.2	84%	0.844	80%	0.796	S	S	*	*				-120.6	150.8	117.9	34.5	-31.3	0	0	0	114.6
1012	T	24.4	Very low	26.5	Very low	101 Å²	101	151.7 Å²	151.7	62%	0.62	80%	0.803	S	S	*	*			trans	-83.3	148.2	-172.5	50.2	0	0	0	0	114.7
1013	C	26	Very low	27	Very low	137 Å²	137	155.7 Å²	155.7	93%	0.926	80%	0.804	S	S	*	*			trans	-130.4	125.6	150.3	-84.3	0	0	0	0	110.2
1014	Y	25.2	Very low	27.1	Very low	179 Å²	179	152.7 Å²	152.7	70%	0.702	80%	0.795	S	S	*	*			trans	-80.5	147.8	-178.3	-85.9	-110.7	0	0	0	112.1
1015	H	28.5	Very low	27.4	Very low	191 Å²	191	156.2 Å²	156.2	88%	0.884	80%	0.8	S	S	*	*				-157.5	131.4	120.5	-122.2	-92.8	0	0	0	110.9
1016	N	27.1	Very low	27.2	Very low	123 Å²	123	154.5 Å²	154.5	66%	0.658	80%	0.804	S	S	*	*			trans	-84.9	129.4	-179.1	-69	-44.8	0	0	0	110.7
1017	D	29.6	Very low	27.3	Very low	174 Å²	174	152 Å²	152	93%	0.93	80%	0.803	S	S	*	*			trans	-155.7	117.8	131.9	-102.3	-31.2	0	0	0	108.8
1018	C	24.7	Very low	27.5	Very low	112 Å²	112	151.5 Å²	151.5	76%	0.757	80%	0.799	S	S	*	*			trans	-134.6	116.5	-170.4	-171.5	0	0	0	0	110
1019	L	29.4	Very low	27.4	Very low	178 Å²	178	155.1 Å²	155.1	93%	0.932	80%	0.8	S	S	*	*			trans	-127.2	115.7	162.9	-92.4	169.5	0	0	0	110.1	Q1021	L1019-Q1021 PolarHBondContact O-N 3.25Å
1020	K	26.1	Very low	27.4	Very low	196 Å²	196	154.8 Å²	154.8	85%	0.852	79%	0.794	S	S	*	*			trans	-59.8	123.6	-176.6	-63.8	167.4	174.6	174.5	0	111.7
1021	Q	30.9	Very low	27.7	Very low	181 Å²	181	154.9 Å²	154.9	85%	0.846	80%	0.795	S	S	*	*			trans	-148.2	96.4	154.5	-106.6	174.2	24.4	0	0	111.8	L1019 Y1023	L1019-Q1021 PolarHBondContact O-N 3.25Å; Q1021-Y1023 VanDerWaalsContact C-N 3.28Å; Q1021-Y1023 PolarHBondContact O-N 3.06Å
1022	Q	29.6	Very low	27.8	Very low	188 Å²	188	155 Å²	155	88%	0.879	79%	0.788	S	S	*	*	S	Bend	trans	22.4	4.9	152.9	-120.3	167.2	-9.6	0	0	125.5
1023	Y	31.9	Very low	28.1	Very low	190 Å²	190	158.3 Å²	158.3	75%	0.745	79%	0.793	S	S	*	*			trans	-131.1	105.6	178.4	-63.1	-79.2	0	0	0	111	Q1021 Y1025	Q1021-Y1023 VanDerWaalsContact C-N 3.28Å; Q1021-Y1023 PolarHBondContact O-N 3.06Å; Y1023-Y1025 PolarHBondContact O-N 3.38Å; Y1023-Y1025 VanDerWaalsContact O-N 3.15Å
1024	G	25.9	Very low	28.3	Very low	70 Å²	70	159.4 Å²	159.4	72%	0.722	79%	0.79	S	S	*	*			trans	-86.6	75.8	-172	0	0	0	0	0	114.6
1025	Y	30.3	Very low	28.7	Very low	228 Å²	228	157.6 Å²	157.6	89%	0.894	79%	0.788	S	S	*	*			trans	-148.1	132.1	152.8	-62.5	-70	0	0	0	109.4	Y1023	Y1023-Y1025 PolarHBondContact O-N 3.38Å; Y1023-Y1025 VanDerWaalsContact O-N 3.15Å
1026	C	24.3	Very low	28.9	Very low	122 Å²	122	156.4 Å²	156.4	82%	0.824	79%	0.788	S	S	*	*			trans	-126.8	107.2	177.2	-167.7	0	0	0	0	109
1027	T	29.6	Very low	29.2	Very low	112 Å²	112	159.1 Å²	159.1	69%	0.687	79%	0.79	S	S	*	*			trans	-90.7	110.4	-177.6	-44.5	0	0	0	0	110	Y1029	T1027-Y1029 HydrophobicContact CG2-CD2 4.48Å; T1027-Y1029 HydrophobicContact CG2-CE2 4.16Å; T1027-Y1029 PolarHBondContact O-N 3.34Å
1028	I	27.5	Very low	29.3	Very low	131 Å²	131	157.8 Å²	157.8	67%	0.672	78%	0.783	S	S	*	*			trans	-85.5	110.2	177.8	-56	176.9	0	0	0	109.2	H1030	I1028-H1030 PolarHBondContact O-N 3.25Å
1029	Y	27.4	Very low	29.7	Very low	210 Å²	210	160.2 Å²	160.2	82%	0.824	79%	0.789	S	S	*	*			trans	-82.4	101.7	172.2	-80.4	-91.2	0	0	0	111.1	T1027 N1031	T1027-Y1029 HydrophobicContact CG2-CD2 4.48Å; T1027-Y1029 HydrophobicContact CG2-CE2 4.16Å; T1027-Y1029 PolarHBondContact O-N 3.34Å; Y1029-N1031 PolarHBondContact O-N 2.85Å
1030	H	28.3	Very low	29.8	Very low	152 Å²	152	154.8 Å²	154.8	70%	0.704	78%	0.775	S	S	*	*			trans	-79.2	107.1	167.7	-87.5	-93.2	0	0	0	111	I1028 L1032	I1028-H1030 PolarHBondContact O-N 3.25Å; H1030-L1032 PolarHBondContact O-N 3.46Å; H1030-L1032 VanDerWaalsContact O-N 3.09Å
1031	N	26.9	Very low	29.8	Very low	148 Å²	148	157.7 Å²	157.7	79%	0.791	78%	0.781	S	S	*	*			trans	-84.4	75	178.3	-163.8	-14.1	0	0	0	110.8	Y1029 K1033	Y1029-N1031 PolarHBondContact O-N 2.85Å; N1031-K1033 PolarHBondContact O-N 2.9Å; N1031-K1033 VanDerWaalsContact O-N 3.15Å
1032	L	30.9	Very low	29.8	Very low	133 Å²	133	159.2 Å²	159.2	70%	0.696	80%	0.802	S	S	*	*			trans	-79.7	91.4	-178	-78.2	166.9	0	0	0	111.9	H1030	H1030-L1032 PolarHBondContact O-N 3.46Å; H1030-L1032 VanDerWaalsContact O-N 3.09Å
1033	K	31.1	Very low	29.8	Very low	169 Å²	169	157.8 Å²	157.8	74%	0.735	80%	0.799	S	S	*	*			trans	-87.7	126.5	160.1	-83.3	-174.2	173.1	-179.7	0	110.6	N1031	N1031-K1033 PolarHBondContact O-N 2.9Å; N1031-K1033 VanDerWaalsContact O-N 3.15Å
1034	N	29.6	Very low	29.7	Very low	160 Å²	160	156.1 Å²	156.1	86%	0.856	80%	0.801	S	S	*	*			trans	37.2	82.2	160.8	-64.8	13.4	0	0	0	116.8
1035	H	32.2	Very low	30	Very low	142 Å²	142	160.9 Å²	160.9	66%	0.657	81%	0.806	S	S	*	*			trans	-128.5	120.3	154.4	-84.8	-69.8	0	0	0	109.9	Y1037	H1035-Y1037 HydrophobicContact CB-CD2 4.24Å; H1035-Y1037 HydrophobicContact CB-CE2 3.86Å; H1035-Y1037 PolarHBondContact O-N 3.36Å
1036	N	33.1	Very low	29.9	Very low	166 Å²	166	156.9 Å²	156.9	89%	0.888	80%	0.801	S	S	*	*			trans	-69.9	109.6	167.6	-76.6	-1.2	0	0	0	108.3
1037	Y	34.9	Very low	30.3	Very low	179 Å²	179	159.1 Å²	159.1	70%	0.702	80%	0.799	S	S	*	*			trans	-90.2	112.7	165.6	-78.8	-86.7	0	0	0	109	H1035 N1039	H1035-Y1037 HydrophobicContact CB-CD2 4.24Å; H1035-Y1037 HydrophobicContact CB-CE2 3.86Å; H1035-Y1037 PolarHBondContact O-N 3.36Å; Y1037-N1039 PolarHBondContact O-N 3.22Å
1038	N	31.6	Very low	30.3	Very low	147 Å²	147	162.3 Å²	162.3	79%	0.786	81%	0.807	S	S	*	*	S	Bend	trans	-68.8	121.2	163.6	-71.2	-13.9	0	0	0	107.4
1039	N	32.7	Very low	30.5	Very low	163 Å²	163	164.5 Å²	164.5	87%	0.872	82%	0.816	S	S	*	*	S	Bend	trans	89.2	95.8	179.2	-46.4	-24.5	0	0	0	115.7	Y1037	Y1037-N1039 PolarHBondContact O-N 3.22Å
1040	G	30.8	Very low	30.8	Very low	63 Å²	63	161 Å²	161	65%	0.649	82%	0.816	S	S	*	*			trans	100.3	130.6	164.9	0	0	0	0	0	114.5
1041	W	27.3	Very low	31	Very low	258 Å²	258	161.8 Å²	161.8	98%	0.977	83%	0.825	S	S	*	*			trans	-95.1	140.9	169.8	-65.4	76.1	0	0	0	109.2
1042	V	30.8	Very low	31.4	Very low	213 Å²	213	163 Å²	163	100%	1.291	83%	0.828	S	S	*	*			trans	-121.3	0	168.8	179.7	0	0	0	0	107.3

Retrieved 1,042 of 1,042 residues in 1042 ms (Link to these results)

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