A0A3Q0KKL8_SCHMA Loading...

IRF-2BP1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,025 aa.

						>A0A3Q0KKL8_SCHMA|A0A3Q0KKL8
MNIKQSEIMNTMHHYGSTRIQCYLCDLPRYPWAMLSEFSELVCRGCVNYEGADRIECVINRAKLMKMHYLPRIYNQKIINDKLDDIQLNIPITTTSSSSTTTTTIDERNHSINDLNLEQRKSPFDLNKNFLYKTQINKNLEINRFIDSSHYLNNINQLNDEIHKDLNILTGNSNNILQTGSELVVPSSTSSTISHNNPHLLRDENVLNSLNGTQNILSNYDTRLKDIFMNILKYSTYPSLINSNSSLFTNLNTKPILVLDDPLQNTNPIDDHSIRNQFNNNGKRVIVSPHDDVVLLNNMINSSLLNINNTTTSTLNTNEVNPLNTVKLINNFVSENSIDSSTSTEQKHSLNSEFTLQSPWNPRLLTTYLQIISNLLGSNPLLTNDDNQMSLLSSNLNKLNDQNKVNFTNIFDSSEQIVNSVINHSFLNENIQNGKLSKFNLNSINSHLFIAQNLKLPILIRLRNQPTIQAYFLGLNHNTILNDHYNLQQNNLINIMFFEYPIGSSNICTGFNQFIKLIDTKLIHEHNNNIMNDIGEIQLGVDQFEYEIARDNMNQIIWAPFIDLLLLILQLISQPLIQKQTNTITQLLSKDLLKQINMTNDTIEDELNSSKKRKSYGYNSEEIVSGQLCDINNKQPRLSSQSELNGIKSHCTNDNMNSLSDKLNDPCKKWKPLIQHRKSPNKRILCNLCPRHLEGSHFVQCPANLEHRFCFQCAKVYLESMMNEHQAHNNNNNNNQANKNVNMNNLKNLEIYCPSGKKCVLPGSKYPWAFVNSEITAILGKTQLTTDYLSRYDQTLSLENNNVSEKLSTHNLLTNKMNTNCNMNTISNCRVENITRNSISQCSLNSQQDSSEILSPQNVNCKTPSESPTKSSSNETHLLSSNKSINGVSTPLNYNDTINNNQSKLMKSFKDSHVICGKLRNQKHSTSTSLSSSSSCSSSSASSPPPLIMTTTITTSTNLSSTLSSSSSPSSLITKSNELRNKPSLNTVLTTTTSASMGQITENNTLKSNIELSSTEMNSISDDND
					

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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	36.1	Very low	35.8	Very low	234 Å²	234	143.5 Å²	143.5	100%	1.153	73%	0.732	S	S	*	*				0	59.5	0	-68.7	165.8	164.4	0	0	109
2	N	35.4	Very low	35.8	Very low	153 Å²	153	144.1 Å²	144.1	82%	0.818	73%	0.732	S	S	*	*			trans	-122	17.4	-154.6	-67	30.4	0	0	0	115.3
3	I	36.9	Very low	35.7	Very low	131 Å²	131	145.4 Å²	145.4	67%	0.672	73%	0.733	S	S	*	*			trans	-101.5	-22.7	-166	-61.5	176.6	0	0	0	113.6	Q5 S6	I3-Q5 VanDerWaalsContact C-N 3.33Å; I3-Q5 PolarHBondContact O-N 2.87Å; I3-S6 PolarHBondContact O-OG 3.45Å
4	K	37.3	Very low	35.7	Very low	180 Å²	180	148 Å²	148	78%	0.783	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	22.8	-173.2	-72.4	-163.2	169.1	-169.1	0	116.7
5	Q	36	Very low	36.1	Very low	172 Å²	172	150.8 Å²	150.8	80%	0.804	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	-20.6	174.9	-77.9	-176.1	-21.6	0	0	114.1	I3	I3-Q5 VanDerWaalsContact C-N 3.33Å; I3-Q5 PolarHBondContact O-N 2.87Å
6	S	34.7	Very low	36.5	Very low	70 Å²	70	145.1 Å²	145.1	49%	0.49	73%	0.734	S	S	.	*	S	Bend	trans	-77	-30	178.1	39.6	0	0	0	0	113.8	I3 I8 M9	I3-S6 PolarHBondContact O-OG 3.45Å; S6-I8 VanDerWaalsContact C-N 3.3Å; S6-I8 PolarHBondContact O-N 3.15Å; S6-M9 PolarHBondContact O-N 3.49Å
7	E	33.3	Very low	37.5	Very low	125 Å²	125	143.2 Å²	143.2	58%	0.584	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-71.6	-23.4	-173.8	-63.7	173.8	134.8	0	0	113.3	M9	E7-M9 VanDerWaalsContact C-N 3.33Å
8	I	37.4	Very low	39.2	Very low	131 Å²	131	139.8 Å²	139.8	67%	0.672	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-77.9	-18.8	-179.8	-61.3	175.3	0	0	0	111.9	S6	S6-I8 VanDerWaalsContact C-N 3.3Å; S6-I8 PolarHBondContact O-N 3.15Å
9	M	35.4	Very low	41.5	Very low	151 Å²	151	140.1 Å²	140.1	74%	0.744	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-84.5	-16.8	-179.6	-70.4	-178.9	62.8	0	0	114	S6 E7	S6-M9 PolarHBondContact O-N 3.49Å; E7-M9 VanDerWaalsContact C-N 3.33Å
10	N	33.7	Very low	43.7	Very low	120 Å²	120	135.9 Å²	135.9	64%	0.642	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-95.4	-2.1	-170.7	-70.7	-5.9	0	0	0	114.6
11	T	37.6	Very low	45.9	Very low	112 Å²	112	135.2 Å²	135.2	69%	0.687	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-89.4	1.6	-177.5	53.2	0	0	0	0	114.6	H13	T11-H13 PolarHBondContact O-N 2.82Å
12	M	35.8	Very low	48.7	Very low	150 Å²	150	124.1 Å²	124.1	74%	0.739	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-77.4	2.3	179.5	-67.1	-159	72.7	0	0	114.8	H14	M12-H14 PolarHBondContact O-N 3.45Å; M12-H14 VanDerWaalsContact O-N 3.1Å
13	H	34.5	Very low	51.5	Low	161 Å²	161	119.1 Å²	119.1	75%	0.745	60%	0.603	S	S	*	*			trans	-83.7	72.3	176.8	-70.2	-80.8	0	0	0	112.6	T11	T11-H13 PolarHBondContact O-N 2.82Å
14	H	36.5	Very low	54.2	Low	182 Å²	182	114.7 Å²	114.7	84%	0.843	58%	0.58	S	S	*	*			trans	163.7	93.5	147.7	-95.5	84.6	0	0	0	109.9	M12	M12-H14 PolarHBondContact O-N 3.45Å; M12-H14 VanDerWaalsContact O-N 3.1Å
15	Y	41.5	Very low	56.8	Low	190 Å²	190	108.2 Å²	108.2	75%	0.745	56%	0.557	S	S	*	*			trans	-137.6	121.4	164.1	-88	-85	0	0	0	110.3
16	G	41.9	Very low	59.5	Low	60 Å²	60	103.6 Å²	103.6	62%	0.619	54%	0.538	S	S	*	.			trans	-66.4	179.1	166.5	0	0	0	0	0	111.7	T18	G16-T18 PolarHBondContact O-N 2.87Å; G16-T18 PolarHBondContact O-OG1 3.01Å
17	S	53.6	Low	62.1	Low	113 Å²	113	104.4 Å²	104.4	79%	0.79	54%	0.536	S	S	*	.	S	Bend	trans	-74.5	53.8	-171.6	-159.4	0	0	0	0	114.3
18	T	67.5	Low	64.8	Low	81 Å²	81	101.8 Å²	101.8	50%	0.497	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-85.1	116.4	176	50.7	0	0	0	0	110.3	G16	G16-T18 PolarHBondContact O-N 2.87Å; G16-T18 PolarHBondContact O-OG1 3.01Å
19	R	84.3	Confident	67.3	Low	145 Å²	145	99.7 Å²	99.7	55%	0.547	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-75.3	135.6	170	-67	-179	175.5	169	-2	109.5	P28 R29 Y30	R19-P28 HydrophobicContact CB-CB 3.79Å; R19-R29 CarbonylContact C-O 3.57Å; R19-R29 VanDerWaalsContact CA-O 3.22Å; R19-R29 WeakPolarHBondContact CA-O 3.35Å; R19-R29 WeakPolarHBondContact CB-O 3.16Å; R19-Y30 PolarHBondContact NH2-OH 2.97Å
20	I	85	Confident	69.8	Low	57 Å²	57	97.1 Å²	97.1	29%	0.292	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.2	178.6	-60	177.7	0	0	0	108.3	R29 P31 M34 L41	I20-R29 PolarHBondContact N-O 3.21Å; I20-R29 PolarHBondContact O-N 3.45Å; I20-P31 HydrophobicContact CD1-CB 3.99Å; I20-P31 HydrophobicContact CD1-CG 3.95Å; I20-P31 HydrophobicContact CG1-CG 4.3Å; I20-M34 HydrophobicContact CB-CG 3.95Å; I20-M34 HydrophobicContact CG2-CE 4.24Å; I20-M34 HydrophobicContact CG2-CG 3.98Å; I20-L41 HydrophobicContact CG2-CD1 3.95Å
21	Q	90.5	Very high	72.2	Confident	122 Å²	122	94 Å²	94	57%	0.57	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.9	-179.1	-159.5	168.4	7.4	0	0	111.1	D26	Q21-D26 VanDerWaalsContact CG-O 3.27Å; Q21-D26 WeakPolarHBondContact CG-O 3.37Å; Q21-D26 PolarHBondContact NE2-O 2.97Å
22	C	94.5	Very high	74.5	Confident	0 Å²	0	97.2 Å²	97.2	0%	0	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-88.6	124.8	176.9	172.9	0	0	0	0	111.2	L24 D26 L27 R29 M34 C43 C46	C22-L24 VanDerWaalsContact C-N 3.25Å; C22-L24 PolarHBondContact O-N 3.49Å; C22-L24 VanDerWaalsContact O-N 3.16Å; C22-D26 WeakPolarHBondContact O-CA 3.21Å; C22-D26 PolarHBondContact O-N 3.17Å; C22-L27 PolarHBondContact N-O 3.17Å; C22-L27 VanDerWaalsContact N-O 3.09Å; C22-R29 HydrophobicContact CB-CG 4.41Å; C22-M34 HydrophobicContact CB-CE 4.08Å; C22-M34 HydrophobicContact CB-SD 4.28Å; C22-C43 HydrophobicContact CB-CB 4.04Å; C22-C43 PolarHBondContact SG-N 3.13Å; C22-C46 VanDerWaalsContact SG-SG 3.66Å
23	Y	94.3	Very high	77.1	Confident	49 Å²	49	90.8 Å²	90.8	19%	0.192	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.4	-175.1	-173.9	-95.3	0	0	0	115.1	E40 L41 I59 A62 K63 K66	Y23-E40 HydrophobicContact CD1-CB 3.94Å; Y23-E40 HydrophobicContact CD1-CG 3.82Å; Y23-E40 HydrophobicContact CD2-CB 4.06Å; Y23-E40 HydrophobicContact CD2-CG 3.83Å; Y23-E40 HydrophobicContact CE1-CG 4.1Å; Y23-E40 HydrophobicContact CE2-CG 4.1Å; Y23-E40 HydrophobicContact CG-CB 3.6Å; Y23-E40 HydrophobicContact CG-CG 3.7Å; Y23-L41 WeakPolarHBondContact CB-O 3.27Å; Y23-L41 PolarHBondContact N-O 3.49Å; Y23-I59 HydrophobicContact CD1-CG2 4.27Å; Y23-I59 HydrophobicContact CE1-CG2 4.25Å; Y23-A62 HydrophobicContact CE1-CB 4Å; Y23-K63 HydrophobicContact CE1-CG 4.04Å; Y23-K63 WeakPolarHBondContact OH-CA 3.23Å; Y23-K63 WeakPolarHBondContact OH-CG 3.34Å; Y23-K66 HydrophobicContact CE2-CD 4.41Å; Y23-K66 PolarHBondContact O-NZ 3.05Å
24	L	92.5	Very high	79.9	Confident	38 Å²	38	84 Å²	84	20%	0.199	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-37.4	-175.8	-69.7	-175.4	0	0	0	114.3	C22 V42 C46 I55 V58 I59 A62	C22-L24 VanDerWaalsContact C-N 3.25Å; C22-L24 PolarHBondContact O-N 3.49Å; C22-L24 VanDerWaalsContact O-N 3.16Å; L24-V42 HydrophobicContact CD1-CG1 3.84Å; L24-V42 HydrophobicContact CD1-CG2 4.15Å; L24-V42 HydrophobicContact CG-CG1 4.22Å; L24-V42 HydrophobicContact CG-CG2 3.94Å; L24-C46 HydrophobicContact CB-CB 4.35Å; L24-C46 HydrophobicContact CD1-CB 4.24Å; L24-I55 HydrophobicContact CD1-CD1 3.58Å; L24-V58 HydrophobicContact CD1-CB 4.4Å; L24-V58 HydrophobicContact CD1-CG1 3.91Å; L24-V58 HydrophobicContact CD2-CG1 3.92Å; L24-I59 HydrophobicContact CD1-CG1 4.29Å; L24-I59 HydrophobicContact CD2-CG1 4.05Å; L24-I59 HydrophobicContact CG-CG1 4.23Å; L24-A62 HydrophobicContact CD2-CB 3.71Å
25	C	92.9	Very high	82.5	Confident	43 Å²	43	77 Å²	77	29%	0.291	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	2.4	179.9	73	0	0	0	0	113.7	L27	C25-L27 WeakPolarHBondContact O-CG 3.22Å; C25-L27 PolarHBondContact O-N 3.44Å
26	D	91.5	Very high	84.8	Confident	76 Å²	76	72.8 Å²	72.8	41%	0.406	39%	0.389	S	S	.	.			trans	48.5	12.2	-177.5	-65.5	-52.1	0	0	0	116.3	Q21 C22 K66	Q21-D26 VanDerWaalsContact CG-O 3.27Å; Q21-D26 WeakPolarHBondContact CG-O 3.37Å; Q21-D26 PolarHBondContact NE2-O 2.97Å; C22-D26 WeakPolarHBondContact O-CA 3.21Å; C22-D26 PolarHBondContact O-N 3.17Å; D26-K66 IonicContact OD1-NZ 2.78Å; D26-K66 PolarHBondContact OD1-NZ 3.2Å; D26-K66 WeakPolarHBondContact OD2-CE 3.49Å; D26-K66 IonicContact OD2-NZ 3.75Å; D26-K66 PolarHBondContact OD2-NZ 3.29Å
27	L	90.3	Very high	87	Confident	87 Å²	87	76.6 Å²	76.6	46%	0.455	39%	0.391	S	S	.	.			trans	-88.3	142.3	-179.8	-74.5	166.3	0	0	0	112.1	C22 C25 R29	C22-L27 PolarHBondContact N-O 3.17Å; C22-L27 VanDerWaalsContact N-O 3.09Å; C25-L27 WeakPolarHBondContact O-CG 3.22Å; C25-L27 PolarHBondContact O-N 3.44Å; L27-R29 VanDerWaalsContact CD1-NH2 3.32Å
28	P	90.5	Very high	88.8	Confident	69 Å²	69	72.9 Å²	72.9	45%	0.448	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.5	175.3	30.8	-34.6	0	0	0	111.4	R19	R19-P28 HydrophobicContact CB-CB 3.79Å
29	R	89.4	Confident	89.9	Confident	88 Å²	88	71.5 Å²	71.5	33%	0.332	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	162.5	-178.4	-51.9	-59.1	-174.1	174.9	5.1	111.3	R19 I20 C22 L27 A33 M34 C43	R19-R29 CarbonylContact C-O 3.57Å; R19-R29 VanDerWaalsContact CA-O 3.22Å; R19-R29 WeakPolarHBondContact CA-O 3.35Å; R19-R29 WeakPolarHBondContact CB-O 3.16Å; I20-R29 PolarHBondContact N-O 3.21Å; I20-R29 PolarHBondContact O-N 3.45Å; C22-R29 HydrophobicContact CB-CG 4.41Å; L27-R29 VanDerWaalsContact CD1-NH2 3.32Å; R29-A33 HydrophobicContact CB-CB 4.31Å; R29-M34 HydrophobicContact CB-CG 4.47Å; R29-M34 HydrophobicContact CB-SD 3.8Å; R29-M34 HydrophobicContact CG-SD 4.08Å; R29-C43 HydrophobicContact CB-CB 4.48Å; R29-C43 HydrophobicContact CG-CB 3.79Å
30	Y	87.9	Confident	90.3	Very high	97 Å²	97	67.9 Å²	67.9	38%	0.38	34%	0.343	S	S	.	.			trans	-72.6	149.2	171.5	-69.1	-83.2	0	0	0	110.9	R19 W32 A33	R19-Y30 PolarHBondContact NH2-OH 2.97Å; Y30-W32 VanDerWaalsContact C-N 3.28Å; Y30-W32 VanDerWaalsContact CB-NE1 3.28Å; Y30-W32 HydrophobicContact CD2-CZ2 4.15Å; Y30-W32 HydrophobicContact CG-CZ2 4.36Å; Y30-W32 AromaticContact CG-NE1 3.78Å; Y30-W32 PolarHBondContact O-N 3.19Å; Y30-A33 WeakPolarHBondContact O-CA 3.4Å; Y30-A33 WeakPolarHBondContact O-CB 3.47Å; Y30-A33 PolarHBondContact O-N 2.68Å
31	P	84.2	Confident	90.7	Very high	55 Å²	55	69 Å²	69	36%	0.357	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-53.8	-37.4	-178.5	-29	35.6	0	0	0	114.8	I20 A33 M34	I20-P31 HydrophobicContact CD1-CB 3.99Å; I20-P31 HydrophobicContact CD1-CG 3.95Å; I20-P31 HydrophobicContact CG1-CG 4.3Å; P31-A33 PolarHBondContact O-N 3.21Å; P31-M34 WeakPolarHBondContact O-CB 3.4Å; P31-M34 PolarHBondContact O-N 3.44Å; P31-M34 VanDerWaalsContact O-N 3.08Å
32	W	85	Confident	90.9	Very high	178 Å²	178	63.2 Å²	63.2	67%	0.674	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65.2	-20.5	176.6	59.1	-105.2	0	0	0	114.2	Y30 R44	Y30-W32 VanDerWaalsContact C-N 3.28Å; Y30-W32 VanDerWaalsContact CB-NE1 3.28Å; Y30-W32 HydrophobicContact CD2-CZ2 4.15Å; Y30-W32 HydrophobicContact CG-CZ2 4.36Å; Y30-W32 AromaticContact CG-NE1 3.78Å; Y30-W32 PolarHBondContact O-N 3.19Å; W32-R44 PolarHBondContact O-NE 3.11Å
33	A	90.9	Very high	90.9	Very high	15 Å²	15	63.4 Å²	63.4	12%	0.124	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-90.1	-5.2	176.7	0	0	0	0	0	112.7	R29 Y30 P31 C43 R44	R29-A33 HydrophobicContact CB-CB 4.31Å; Y30-A33 WeakPolarHBondContact O-CA 3.4Å; Y30-A33 WeakPolarHBondContact O-CB 3.47Å; Y30-A33 PolarHBondContact O-N 2.68Å; P31-A33 PolarHBondContact O-N 3.21Å; A33-C43 CarbonylContact O-C 3.45Å; A33-C43 WeakPolarHBondContact O-CA 3.45Å; A33-C43 WeakPolarHBondContact O-CB 3.38Å; A33-R44 PolarHBondContact O-N 3.42Å
34	M	92.4	Very high	90.8	Very high	20 Å²	20	65.4 Å²	65.4	10%	0.099	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	153.1	176.4	-63.7	-53.8	-65.8	0	0	111.6	I20 C22 R29 P31 L41 V42 C43	I20-M34 HydrophobicContact CB-CG 3.95Å; I20-M34 HydrophobicContact CG2-CE 4.24Å; I20-M34 HydrophobicContact CG2-CG 3.98Å; C22-M34 HydrophobicContact CB-CE 4.08Å; C22-M34 HydrophobicContact CB-SD 4.28Å; R29-M34 HydrophobicContact CB-CG 4.47Å; R29-M34 HydrophobicContact CB-SD 3.8Å; R29-M34 HydrophobicContact CG-SD 4.08Å; P31-M34 WeakPolarHBondContact O-CB 3.4Å; P31-M34 PolarHBondContact O-N 3.44Å; P31-M34 VanDerWaalsContact O-N 3.08Å; M34-L41 VanDerWaalsContact CE-C 3.41Å; M34-L41 HydrophobicContact CE-CB 3.79Å; M34-L41 WeakPolarHBondContact CE-O 3.43Å; M34-V42 VanDerWaalsContact CE-C 3.49Å; M34-C43 HydrophobicContact CE-CB 4.48Å; M34-C43 HydrophobicContact SD-CB 3.61Å
35	L	91.5	Very high	90.8	Very high	33 Å²	33	65.9 Å²	65.9	17%	0.173	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.3	173.8	-61.9	171.3	0	0	0	108	F38 V42 R44 V47	L35-F38 HydrophobicContact CB-CD2 4.39Å; L35-F38 HydrophobicContact CB-CE2 4.12Å; L35-F38 HydrophobicContact CD1-CE2 4.23Å; L35-V42 WeakPolarHBondContact CB-O 3.38Å; L35-V42 PolarHBondContact N-O 3.09Å; L35-V42 PolarHBondContact O-N 3.33Å; L35-R44 HydrophobicContact CD1-CG 3.9Å; L35-R44 HydrophobicContact CD2-CG 4.13Å; L35-R44 HydrophobicContact CG-CG 3.9Å; L35-V47 HydrophobicContact CD1-CB 3.94Å; L35-V47 HydrophobicContact CD1-CG1 4.07Å; L35-V47 HydrophobicContact CD1-CG2 3.65Å
36	S	90	Very high	90.8	Very high	103 Å²	103	64.7 Å²	64.7	72%	0.72	34%	0.337	S	S	*	.			trans	-117.4	17.8	-175.9	51.7	0	0	0	0	112.6
37	E	89.2	Confident	90.8	Very high	140 Å²	140	61.6 Å²	61.6	65%	0.654	32%	0.32	S	S	*	.	S	Bend	trans	-89.5	-0.4	-178.8	66.1	-162.8	146.8	0	0	113.9
38	F	91.3	Very high	90.8	Very high	34 Å²	34	63.2 Å²	63.2	15%	0.149	33%	0.329	C	S	.	.	S	Bend	trans	-114.8	172.2	179.8	-51.7	-77.7	0	0	0	111	L35 E40 V47 A52 I55 I59	L35-F38 HydrophobicContact CB-CD2 4.39Å; L35-F38 HydrophobicContact CB-CE2 4.12Å; L35-F38 HydrophobicContact CD1-CE2 4.23Å; F38-E40 PolarHBondContact O-N 2.98Å; F38-E40 VanDerWaalsContact O-N 3.13Å; F38-V47 HydrophobicContact CE2-CG1 4.36Å; F38-V47 HydrophobicContact CE2-CG2 3.77Å; F38-V47 HydrophobicContact CZ-CG1 4.1Å; F38-V47 HydrophobicContact CZ-CG2 4.23Å; F38-A52 HydrophobicContact CZ-CB 4.38Å; F38-I55 HydrophobicContact CB-CG2 4.22Å; F38-I55 HydrophobicContact CD1-CB 4.11Å; F38-I55 HydrophobicContact CD1-CG2 3.45Å; F38-I55 VanDerWaalsContact CD1-CG2 3.45Å; F38-I55 HydrophobicContact CD2-CG2 3.86Å; F38-I55 HydrophobicContact CE1-CB 3.89Å; F38-I55 HydrophobicContact CE1-CG2 3.66Å; F38-I55 HydrophobicContact CE2-CG2 4.07Å; F38-I55 HydrophobicContact CG-CG2 3.55Å; F38-I55 HydrophobicContact CZ-CB 4.25Å; F38-I55 HydrophobicContact CZ-CG2 3.97Å; F38-I59 HydrophobicContact CB-CD1 3.55Å; F38-I59 HydrophobicContact CG-CD1 4.3Å
39	S	90.8	Very high	90.8	Very high	53 Å²	53	68.9 Å²	68.9	37%	0.371	34%	0.343	S	S	.	.	S	Bend	trans	-69.5	-6.5	-178.3	74.2	0	0	0	0	115.6	E56 I59 K63	S39-E56 WeakPolarHBondContact CB-OE1 3.47Å; S39-E56 PolarHBondContact N-OE2 2.83Å; S39-E56 PolarHBondContact OG-OE1 3.4Å; S39-I59 WeakPolarHBondContact OG-CG2 3.33Å; S39-K63 PolarHBondContact OG-NZ 2.86Å
40	E	92.5	Very high	90.8	Very high	69 Å²	69	67.1 Å²	67.1	32%	0.322	34%	0.339	S	S	.	.	S	Bend	trans	-140.9	161.4	169.5	-63.1	-60.2	154.5	0	0	110.5	Y23 F38 V42 I59 K63	Y23-E40 HydrophobicContact CD1-CB 3.94Å; Y23-E40 HydrophobicContact CD1-CG 3.82Å; Y23-E40 HydrophobicContact CD2-CB 4.06Å; Y23-E40 HydrophobicContact CD2-CG 3.83Å; Y23-E40 HydrophobicContact CE1-CG 4.1Å; Y23-E40 HydrophobicContact CE2-CG 4.1Å; Y23-E40 HydrophobicContact CG-CB 3.6Å; Y23-E40 HydrophobicContact CG-CG 3.7Å; F38-E40 PolarHBondContact O-N 2.98Å; F38-E40 VanDerWaalsContact O-N 3.13Å; E40-V42 PolarHBondContact O-N 3.18Å; E40-I59 HydrophobicContact CB-CD1 4.4Å; E40-I59 HydrophobicContact CB-CG2 4.06Å; E40-I59 HydrophobicContact CG-CG2 3.61Å; E40-K63 WeakPolarHBondContact OE1-CE 3.44Å; E40-K63 IonicContact OE1-NZ 3.81Å; E40-K63 PolarHBondContact OE1-NZ 2.86Å
41	L	92.7	Very high	90.7	Very high	81 Å²	81	62.5 Å²	62.5	42%	0.424	32%	0.321	S	S	.	.			trans	-72	112.3	175.6	-66.4	175.5	0	0	0	110.8	I20 Y23 M34	I20-L41 HydrophobicContact CG2-CD1 3.95Å; Y23-L41 WeakPolarHBondContact CB-O 3.27Å; Y23-L41 PolarHBondContact N-O 3.49Å; M34-L41 VanDerWaalsContact CE-C 3.41Å; M34-L41 HydrophobicContact CE-CB 3.79Å; M34-L41 WeakPolarHBondContact CE-O 3.43Å
42	V	94	Very high	90.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.2	-177.7	178.6	0	0	0	0	110.6	L24 M34 L35 E40 C46 V47 I55 I59	L24-V42 HydrophobicContact CD1-CG1 3.84Å; L24-V42 HydrophobicContact CD1-CG2 4.15Å; L24-V42 HydrophobicContact CG-CG1 4.22Å; L24-V42 HydrophobicContact CG-CG2 3.94Å; M34-V42 VanDerWaalsContact CE-C 3.49Å; L35-V42 WeakPolarHBondContact CB-O 3.38Å; L35-V42 PolarHBondContact N-O 3.09Å; L35-V42 PolarHBondContact O-N 3.33Å; E40-V42 PolarHBondContact O-N 3.18Å; V42-C46 HydrophobicContact CG1-CB 3.59Å; V42-V47 HydrophobicContact CB-CG2 4.48Å; V42-V47 HydrophobicContact CG1-CG2 3.84Å; V42-I55 HydrophobicContact CG1-CD1 4.19Å; V42-I59 HydrophobicContact CG2-CD1 3.7Å; V42-I59 HydrophobicContact CG2-CG1 3.91Å
43	C	94.5	Very high	91.1	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.02	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	152.1	-178.9	78	0	0	0	0	113.1	C22 R29 A33 M34 G45 C46 V47	C22-C43 HydrophobicContact CB-CB 4.04Å; C22-C43 PolarHBondContact SG-N 3.13Å; R29-C43 HydrophobicContact CB-CB 4.48Å; R29-C43 HydrophobicContact CG-CB 3.79Å; A33-C43 CarbonylContact O-C 3.45Å; A33-C43 WeakPolarHBondContact O-CA 3.45Å; A33-C43 WeakPolarHBondContact O-CB 3.38Å; M34-C43 HydrophobicContact CE-CB 4.48Å; M34-C43 HydrophobicContact SD-CB 3.61Å; C43-G45 PolarHBondContact O-N 2.9Å; C43-C46 PolarHBondContact O-N 3.11Å; C43-V47 PolarHBondContact O-N 3.39Å; C43-V47 VanDerWaalsContact O-N 3.08Å
44	R	91.8	Very high	91	Very high	92 Å²	92	64 Å²	64	35%	0.347	34%	0.338	S	S	.	.	H	α-helix	trans	-50.4	-32.6	175.4	-65.5	-175.7	-174.4	-156.2	1.7	112.9	W32 A33 L35 V47 N48	W32-R44 PolarHBondContact O-NE 3.11Å; A33-R44 PolarHBondContact O-N 3.42Å; L35-R44 HydrophobicContact CD1-CG 3.9Å; L35-R44 HydrophobicContact CD2-CG 4.13Å; L35-R44 HydrophobicContact CG-CG 3.9Å; R44-V47 PolarHBondContact O-N 3.11Å; R44-N48 WeakPolarHBondContact O-CB 3.39Å; R44-N48 PolarHBondContact O-N 3.22Å; R44-N48 PolarHBondContact O-OD1 3.05Å
45	G	92.6	Very high	91	Very high	48 Å²	48	63.1 Å²	63.1	50%	0.495	33%	0.333	S	S	.	.	H	α-helix	trans	-61.9	-46.7	175.8	0	0	0	0	0	113.2	C43 Y49	C43-G45 PolarHBondContact O-N 2.9Å; G45-Y49 WeakPolarHBondContact O-CB 3.25Å; G45-Y49 PolarHBondContact O-N 3.14Å; G45-Y49 VanDerWaalsContact O-N 3.12Å
46	C	93.5	Very high	91	Very high	17 Å²	17	64.6 Å²	64.6	12%	0.115	34%	0.339	C	S	.	.	H	α-helix	trans	-66.5	-42.2	174	-64.5	0	0	0	0	111.2	C22 L24 V42 C43 N48 Y49 E50 I55	C22-C46 VanDerWaalsContact SG-SG 3.66Å; L24-C46 HydrophobicContact CB-CB 4.35Å; L24-C46 HydrophobicContact CD1-CB 4.24Å; V42-C46 HydrophobicContact CG1-CB 3.59Å; C43-C46 PolarHBondContact O-N 3.11Å; C46-N48 VanDerWaalsContact C-N 3.3Å; C46-N48 PolarHBondContact O-N 3.09Å; C46-Y49 PolarHBondContact O-N 2.92Å; C46-Y49 VanDerWaalsContact O-N 3.13Å; C46-E50 PolarHBondContact O-N 3.32Å; C46-I55 HydrophobicContact CB-CD1 4.46Å
47	V	92.5	Very high	90.9	Very high	11 Å²	11	62.5 Å²	62.5	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-33.4	179.6	-177.9	0	0	0	0	112.7	L35 F38 V42 C43 R44 G51 A52 I55	L35-V47 HydrophobicContact CD1-CB 3.94Å; L35-V47 HydrophobicContact CD1-CG1 4.07Å; L35-V47 HydrophobicContact CD1-CG2 3.65Å; F38-V47 HydrophobicContact CE2-CG1 4.36Å; F38-V47 HydrophobicContact CE2-CG2 3.77Å; F38-V47 HydrophobicContact CZ-CG1 4.1Å; F38-V47 HydrophobicContact CZ-CG2 4.23Å; V42-V47 HydrophobicContact CB-CG2 4.48Å; V42-V47 HydrophobicContact CG1-CG2 3.84Å; C43-V47 PolarHBondContact O-N 3.39Å; C43-V47 VanDerWaalsContact O-N 3.08Å; R44-V47 PolarHBondContact O-N 3.11Å; V47-G51 CarbonylContact O-C 3.6Å; V47-G51 WeakPolarHBondContact O-CA 3.34Å; V47-G51 PolarHBondContact O-N 2.94Å; V47-A52 HydrophobicContact CG1-CB 3.76Å; V47-I55 HydrophobicContact CB-CD1 4.44Å; V47-I55 HydrophobicContact CB-CG1 4.2Å; V47-I55 HydrophobicContact CG1-CG1 4.24Å; V47-I55 HydrophobicContact CG2-CD1 4.01Å; V47-I55 HydrophobicContact CG2-CG1 3.92Å; V47-I55 HydrophobicContact CG2-CG2 4.48Å
48	N	89.9	Confident	91.1	Very high	121 Å²	121	57 Å²	57	65%	0.647	30%	0.3	S	S	*	.	H	α-helix	trans	-73.5	-33.1	173	-70.3	2.3	0	0	0	112.7	R44 C46	R44-N48 WeakPolarHBondContact O-CB 3.39Å; R44-N48 PolarHBondContact O-N 3.22Å; R44-N48 PolarHBondContact O-OD1 3.05Å; C46-N48 VanDerWaalsContact C-N 3.3Å; C46-N48 PolarHBondContact O-N 3.09Å
49	Y	90.3	Very high	91.2	Very high	189 Å²	189	55.4 Å²	55.4	74%	0.741	29%	0.292	S	S	*	.	H	α-helix	trans	-75	-50.1	179.7	-175.4	-98.3	0	0	0	112	G45 C46	G45-Y49 WeakPolarHBondContact O-CB 3.25Å; G45-Y49 PolarHBondContact O-N 3.14Å; G45-Y49 VanDerWaalsContact O-N 3.12Å; C46-Y49 PolarHBondContact O-N 2.92Å; C46-Y49 VanDerWaalsContact O-N 3.13Å
50	E	89.8	Confident	91.1	Very high	51 Å²	51	56.4 Å²	56.4	24%	0.238	29%	0.294	C	S	.	.	H	α-helix	trans	-80.1	-31.6	179.9	-60.5	-62	161.9	0	0	112.8	C46 R54 I55 V58	C46-E50 PolarHBondContact O-N 3.32Å; E50-R54 PolarHBondContact O-NE 3.18Å; E50-R54 PolarHBondContact O-NH2 2.91Å; E50-I55 HydrophobicContact CB-CD1 3.61Å; E50-I55 HydrophobicContact CB-CG1 4.02Å; E50-I55 HydrophobicContact CG-CD1 3.82Å; E50-V58 HydrophobicContact CB-CG2 4.34Å; E50-V58 HydrophobicContact CG-CB 4.49Å; E50-V58 HydrophobicContact CG-CG1 4.21Å; E50-V58 HydrophobicContact CG-CG2 4.11Å
51	G	86.2	Confident	90.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.			trans	88.6	133.1	-167.9	0	0	0	0	0	112.2	V47 D53 R54 I55	V47-G51 CarbonylContact O-C 3.6Å; V47-G51 WeakPolarHBondContact O-CA 3.34Å; V47-G51 PolarHBondContact O-N 2.94Å; G51-D53 PolarHBondContact O-N 3.25Å; G51-D53 VanDerWaalsContact O-N 3.14Å; G51-R54 PolarHBondContact O-N 3.01Å; G51-I55 WeakPolarHBondContact O-CG1 3.31Å; G51-I55 PolarHBondContact O-N 3.47Å; G51-I55 VanDerWaalsContact O-N 3.13Å
52	A	87.7	Confident	90.8	Very high	58 Å²	58	54.4 Å²	54.4	48%	0.479	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.6	-172.1	0	0	0	0	0	114.4	F38 V47	F38-A52 HydrophobicContact CZ-CB 4.38Å; V47-A52 HydrophobicContact CG1-CB 3.76Å
53	D	88.5	Confident	90.6	Very high	120 Å²	120	56.7 Å²	56.7	64%	0.642	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-28.4	173.5	58	-59	0	0	0	113.3	G51	G51-D53 PolarHBondContact O-N 3.25Å; G51-D53 VanDerWaalsContact O-N 3.14Å
54	R	88.3	Confident	90	Very high	102 Å²	102	62.8 Å²	62.8	39%	0.385	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-22.2	-179.7	-61.5	-169.2	-64.1	-176	3.3	113.7	E50 G51 E56 C57 V58	E50-R54 PolarHBondContact O-NE 3.18Å; E50-R54 PolarHBondContact O-NH2 2.91Å; G51-R54 PolarHBondContact O-N 3.01Å; R54-E56 VanDerWaalsContact C-N 3.3Å; R54-E56 PolarHBondContact O-N 3.45Å; R54-E56 VanDerWaalsContact O-N 3.16Å; R54-C57 WeakPolarHBondContact O-CA 3.42Å; R54-C57 VanDerWaalsContact O-CB 3.27Å; R54-C57 WeakPolarHBondContact O-CB 3.26Å; R54-C57 PolarHBondContact O-N 3.47Å; R54-V58 WeakPolarHBondContact O-CG2 3.43Å; R54-V58 PolarHBondContact O-N 3.48Å
55	I	92.7	Very high	89.4	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-51.6	-42.3	-173.9	-78.7	-74.4	0	0	0	114.1	L24 F38 V42 C46 V47 E50 G51 C57 V58 I59	L24-I55 HydrophobicContact CD1-CD1 3.58Å; F38-I55 HydrophobicContact CB-CG2 4.22Å; F38-I55 HydrophobicContact CD1-CB 4.11Å; F38-I55 HydrophobicContact CD1-CG2 3.45Å; F38-I55 VanDerWaalsContact CD1-CG2 3.45Å; F38-I55 HydrophobicContact CD2-CG2 3.86Å; F38-I55 HydrophobicContact CE1-CB 3.89Å; F38-I55 HydrophobicContact CE1-CG2 3.66Å; F38-I55 HydrophobicContact CE2-CG2 4.07Å; F38-I55 HydrophobicContact CG-CG2 3.55Å; F38-I55 HydrophobicContact CZ-CB 4.25Å; F38-I55 HydrophobicContact CZ-CG2 3.97Å; V42-I55 HydrophobicContact CG1-CD1 4.19Å; C46-I55 HydrophobicContact CB-CD1 4.46Å; V47-I55 HydrophobicContact CB-CD1 4.44Å; V47-I55 HydrophobicContact CB-CG1 4.2Å; V47-I55 HydrophobicContact CG1-CG1 4.24Å; V47-I55 HydrophobicContact CG2-CD1 4.01Å; V47-I55 HydrophobicContact CG2-CG1 3.92Å; V47-I55 HydrophobicContact CG2-CG2 4.48Å; E50-I55 HydrophobicContact CB-CD1 3.61Å; E50-I55 HydrophobicContact CB-CG1 4.02Å; E50-I55 HydrophobicContact CG-CD1 3.82Å; G51-I55 WeakPolarHBondContact O-CG1 3.31Å; G51-I55 PolarHBondContact O-N 3.47Å; G51-I55 VanDerWaalsContact O-N 3.13Å; I55-C57 VanDerWaalsContact C-N 3.31Å; I55-C57 PolarHBondContact O-N 3.14Å; I55-V58 PolarHBondContact O-N 3.43Å; I55-I59 HydrophobicContact CG2-CD1 3.66Å; I55-I59 HydrophobicContact CG2-CG1 4.23Å; I55-I59 VanDerWaalsContact O-CG1 3.28Å; I55-I59 WeakPolarHBondContact O-CG1 3.46Å; I55-I59 PolarHBondContact O-N 2.89Å
56	E	91.2	Very high	88.7	Confident	65 Å²	65	63.7 Å²	63.7	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-34.2	179.3	-169	56.4	-132.6	0	0	111.8	S39 R54 N60	S39-E56 WeakPolarHBondContact CB-OE1 3.47Å; S39-E56 PolarHBondContact N-OE2 2.83Å; S39-E56 PolarHBondContact OG-OE1 3.4Å; R54-E56 VanDerWaalsContact C-N 3.3Å; R54-E56 PolarHBondContact O-N 3.45Å; R54-E56 VanDerWaalsContact O-N 3.16Å; E56-N60 PolarHBondContact O-N 3.24Å; E56-N60 VanDerWaalsContact O-N 3.12Å; E56-N60 PolarHBondContact O-ND2 2.74Å; E56-N60 PolarHBondContact OE1-ND2 3.3Å
57	C	89.4	Confident	87.7	Confident	59 Å²	59	68.1 Å²	68.1	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-43.4	171.2	-176.6	0	0	0	0	111.3	R54 I55 N60 R61	R54-C57 WeakPolarHBondContact O-CA 3.42Å; R54-C57 VanDerWaalsContact O-CB 3.27Å; R54-C57 WeakPolarHBondContact O-CB 3.26Å; R54-C57 PolarHBondContact O-N 3.47Å; I55-C57 VanDerWaalsContact C-N 3.31Å; I55-C57 PolarHBondContact O-N 3.14Å; C57-N60 PolarHBondContact O-N 3.32Å; C57-R61 PolarHBondContact O-N 3Å
58	V	92.5	Very high	86.1	Confident	24 Å²	24	75.2 Å²	75.2	15%	0.145	37%	0.371	C	S	.	.	H	α-helix	trans	-65.4	-39	178.4	-178.4	0	0	0	0	111.6	L24 E50 R54 I55 R61 A62	L24-V58 HydrophobicContact CD1-CB 4.4Å; L24-V58 HydrophobicContact CD1-CG1 3.91Å; L24-V58 HydrophobicContact CD2-CG1 3.92Å; E50-V58 HydrophobicContact CB-CG2 4.34Å; E50-V58 HydrophobicContact CG-CB 4.49Å; E50-V58 HydrophobicContact CG-CG1 4.21Å; E50-V58 HydrophobicContact CG-CG2 4.11Å; R54-V58 WeakPolarHBondContact O-CG2 3.43Å; R54-V58 PolarHBondContact O-N 3.48Å; I55-V58 PolarHBondContact O-N 3.43Å; V58-R61 PolarHBondContact O-N 2.89Å; V58-A62 VanDerWaalsContact O-CB 3.25Å; V58-A62 WeakPolarHBondContact O-CB 3.38Å; V58-A62 PolarHBondContact O-N 3.3Å
59	I	94	Very high	84.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-46	171.5	-70.2	164.9	0	0	0	110.5	Y23 L24 F38 S39 E40 V42 I55 A62 K63	Y23-I59 HydrophobicContact CD1-CG2 4.27Å; Y23-I59 HydrophobicContact CE1-CG2 4.25Å; L24-I59 HydrophobicContact CD1-CG1 4.29Å; L24-I59 HydrophobicContact CD2-CG1 4.05Å; L24-I59 HydrophobicContact CG-CG1 4.23Å; F38-I59 HydrophobicContact CB-CD1 3.55Å; F38-I59 HydrophobicContact CG-CD1 4.3Å; S39-I59 WeakPolarHBondContact OG-CG2 3.33Å; E40-I59 HydrophobicContact CB-CD1 4.4Å; E40-I59 HydrophobicContact CB-CG2 4.06Å; E40-I59 HydrophobicContact CG-CG2 3.61Å; V42-I59 HydrophobicContact CG2-CD1 3.7Å; V42-I59 HydrophobicContact CG2-CG1 3.91Å; I55-I59 HydrophobicContact CG2-CD1 3.66Å; I55-I59 HydrophobicContact CG2-CG1 4.23Å; I55-I59 VanDerWaalsContact O-CG1 3.28Å; I55-I59 WeakPolarHBondContact O-CG1 3.46Å; I55-I59 PolarHBondContact O-N 2.89Å; I59-A62 CarbonylContact O-C 3.6Å; I59-A62 PolarHBondContact O-N 2.87Å; I59-K63 HydrophobicContact CG2-CD 4.01Å; I59-K63 HydrophobicContact CG2-CG 4.47Å; I59-K63 WeakPolarHBondContact O-CB 3.3Å; I59-K63 VanDerWaalsContact O-CG 3.31Å; I59-K63 WeakPolarHBondContact O-CG 3.42Å; I59-K63 PolarHBondContact O-N 3.25Å
60	N	88.9	Confident	82.5	Confident	75 Å²	75	69.6 Å²	69.6	40%	0.401	35%	0.345	S	S	.	.	H	α-helix	trans	-69.7	-34.7	179.7	-73.4	-62.3	0	0	0	112.7	E56 C57 K63 L64	E56-N60 PolarHBondContact O-N 3.24Å; E56-N60 VanDerWaalsContact O-N 3.12Å; E56-N60 PolarHBondContact O-ND2 2.74Å; E56-N60 PolarHBondContact OE1-ND2 3.3Å; C57-N60 PolarHBondContact O-N 3.32Å; N60-K63 WeakPolarHBondContact O-CB 3.2Å; N60-K63 PolarHBondContact O-N 3.21Å; N60-L64 WeakPolarHBondContact O-CG 3.18Å; N60-L64 PolarHBondContact O-N 3.3Å
61	R	87.9	Confident	80.2	Confident	89 Å²	89	71 Å²	71	34%	0.336	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-42.7	169.8	-171.5	174.8	-178.3	176.9	-1.3	111.6	C57 V58 K63 L64 M65	C57-R61 PolarHBondContact O-N 3Å; V58-R61 PolarHBondContact O-N 2.89Å; R61-K63 VanDerWaalsContact C-N 3.35Å; R61-L64 PolarHBondContact O-N 3.05Å; R61-M65 HydrophobicContact CG-CE 4.13Å; R61-M65 HydrophobicContact CG-SD 4.33Å; R61-M65 WeakPolarHBondContact O-CG 3.19Å; R61-M65 PolarHBondContact O-N 3.34Å
62	A	90.7	Very high	78.1	Confident	18 Å²	18	78 Å²	78	15%	0.149	38%	0.384	C	S	.	.	H	α-helix	trans	-65.9	-34.7	175.1	0	0	0	0	0	112.4	Y23 L24 V58 I59 M65 K66	Y23-A62 HydrophobicContact CE1-CB 4Å; L24-A62 HydrophobicContact CD2-CB 3.71Å; V58-A62 VanDerWaalsContact O-CB 3.25Å; V58-A62 WeakPolarHBondContact O-CB 3.38Å; V58-A62 PolarHBondContact O-N 3.3Å; I59-A62 CarbonylContact O-C 3.6Å; I59-A62 PolarHBondContact O-N 2.87Å; A62-M65 PolarHBondContact O-N 3.35Å; A62-K66 VanDerWaalsContact O-CB 3.3Å; A62-K66 WeakPolarHBondContact O-CB 3.31Å; A62-K66 WeakPolarHBondContact O-CG 3.49Å; A62-K66 PolarHBondContact O-N 3.32Å
63	K	89.3	Confident	76	Confident	49 Å²	49	79.5 Å²	79.5	21%	0.213	38%	0.383	C	S	.	.	H	α-helix	trans	-61	-50.2	170.4	-78	169.4	177.5	179	0	110.9	Y23 S39 E40 I59 N60 R61 M65 K66 M67	Y23-K63 HydrophobicContact CE1-CG 4.04Å; Y23-K63 WeakPolarHBondContact OH-CA 3.23Å; Y23-K63 WeakPolarHBondContact OH-CG 3.34Å; S39-K63 PolarHBondContact OG-NZ 2.86Å; E40-K63 WeakPolarHBondContact OE1-CE 3.44Å; E40-K63 IonicContact OE1-NZ 3.81Å; E40-K63 PolarHBondContact OE1-NZ 2.86Å; I59-K63 HydrophobicContact CG2-CD 4.01Å; I59-K63 HydrophobicContact CG2-CG 4.47Å; I59-K63 WeakPolarHBondContact O-CB 3.3Å; I59-K63 VanDerWaalsContact O-CG 3.31Å; I59-K63 WeakPolarHBondContact O-CG 3.42Å; I59-K63 PolarHBondContact O-N 3.25Å; N60-K63 WeakPolarHBondContact O-CB 3.2Å; N60-K63 PolarHBondContact O-N 3.21Å; R61-K63 VanDerWaalsContact C-N 3.35Å; K63-M65 PolarHBondContact O-N 3.02Å; K63-K66 PolarHBondContact O-N 3.02Å; K63-M67 VanDerWaalsContact O-CB 3.28Å; K63-M67 WeakPolarHBondContact O-CB 3.28Å; K63-M67 WeakPolarHBondContact O-CG 3.45Å; K63-M67 PolarHBondContact O-N 3.4Å
64	L	83.1	Confident	73.5	Confident	131 Å²	131	80.3 Å²	80.3	69%	0.686	38%	0.379	S	S	*	.	H	α-helix	trans	-61.5	-42.2	176.6	-69.3	172.5	0	0	0	112.4	N60 R61 M67 H68	N60-L64 WeakPolarHBondContact O-CG 3.18Å; N60-L64 PolarHBondContact O-N 3.3Å; R61-L64 PolarHBondContact O-N 3.05Å; L64-M67 PolarHBondContact O-N 3.36Å; L64-H68 WeakPolarHBondContact O-CB 3.29Å; L64-H68 PolarHBondContact O-N 3.17Å
65	M	77.4	Confident	71	Confident	95 Å²	95	80.2 Å²	80.2	47%	0.468	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-51.6	174.8	-73.3	172.9	167.6	0	0	111.6	R61 A62 K63 M67 H68 Y69	R61-M65 HydrophobicContact CG-CE 4.13Å; R61-M65 HydrophobicContact CG-SD 4.33Å; R61-M65 WeakPolarHBondContact O-CG 3.19Å; R61-M65 PolarHBondContact O-N 3.34Å; A62-M65 PolarHBondContact O-N 3.35Å; K63-M65 PolarHBondContact O-N 3.02Å; M65-M67 VanDerWaalsContact C-N 3.27Å; M65-M67 PolarHBondContact O-N 3.08Å; M65-H68 PolarHBondContact O-N 2.97Å; M65-Y69 WeakPolarHBondContact O-CD2 3.41Å; M65-Y69 PolarHBondContact O-N 3.38Å
66	K	79.6	Confident	68.3	Low	63 Å²	63	83.8 Å²	83.8	27%	0.274	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-37.1	177.6	-73.2	177.4	173	-178.3	0	111.1	Y23 D26 A62 K63 Y69 L70	Y23-K66 HydrophobicContact CE2-CD 4.41Å; Y23-K66 PolarHBondContact O-NZ 3.05Å; D26-K66 IonicContact OD1-NZ 2.78Å; D26-K66 PolarHBondContact OD1-NZ 3.2Å; D26-K66 WeakPolarHBondContact OD2-CE 3.49Å; D26-K66 IonicContact OD2-NZ 3.75Å; D26-K66 PolarHBondContact OD2-NZ 3.29Å; A62-K66 VanDerWaalsContact O-CB 3.3Å; A62-K66 WeakPolarHBondContact O-CB 3.31Å; A62-K66 WeakPolarHBondContact O-CG 3.49Å; A62-K66 PolarHBondContact O-N 3.32Å; K63-K66 PolarHBondContact O-N 3.02Å; K66-Y69 PolarHBondContact O-N 2.95Å; K66-L70 WeakPolarHBondContact O-CB 3.29Å; K66-L70 WeakPolarHBondContact O-CD1 3.46Å; K66-L70 WeakPolarHBondContact O-CG 3.38Å; K66-L70 PolarHBondContact O-N 3.29Å
67	M	71	Confident	65.8	Low	111 Å²	111	86.8 Å²	86.8	55%	0.547	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-35.1	171.3	-68.2	-99.4	72.9	0	0	113.3	K63 L64 M65 L70 P71	K63-M67 VanDerWaalsContact O-CB 3.28Å; K63-M67 WeakPolarHBondContact O-CB 3.28Å; K63-M67 WeakPolarHBondContact O-CG 3.45Å; K63-M67 PolarHBondContact O-N 3.4Å; L64-M67 PolarHBondContact O-N 3.36Å; M65-M67 VanDerWaalsContact C-N 3.27Å; M65-M67 PolarHBondContact O-N 3.08Å; M67-L70 HydrophobicContact CE-CD1 3.57Å; M67-P71 WeakPolarHBondContact O-CD 3.36Å
68	H	58.8	Low	63.4	Low	159 Å²	159	87.5 Å²	87.5	74%	0.736	41%	0.414	S	S	*	.	H	α-helix	trans	-78.2	-25.9	177.3	-160.4	-76.7	0	0	0	113.3	L64 M65	L64-H68 WeakPolarHBondContact O-CB 3.29Å; L64-H68 PolarHBondContact O-N 3.17Å; M65-H68 PolarHBondContact O-N 2.97Å
69	Y	55.5	Low	60.9	Low	132 Å²	132	89.8 Å²	89.8	52%	0.518	42%	0.424	S	S	.	.	H	α-helix	trans	-82.7	-25.4	171.6	-84.5	-86.9	0	0	0	113.4	M65 K66 R72 I73	M65-Y69 WeakPolarHBondContact O-CD2 3.41Å; M65-Y69 PolarHBondContact O-N 3.38Å; K66-Y69 PolarHBondContact O-N 2.95Å; Y69-R72 PolarHBondContact O-N 3.43Å; Y69-I73 PolarHBondContact O-N 3.16Å
70	L	50.4	Low	58.5	Low	61 Å²	61	93.8 Å²	93.8	32%	0.319	45%	0.446	S	S	.	.	H	α-helix	trans	-58.6	-39.5	-179.6	-85.9	162.7	0	0	0	113.8	K66 M67 R72 I73 Y74	K66-L70 WeakPolarHBondContact O-CB 3.29Å; K66-L70 WeakPolarHBondContact O-CD1 3.46Å; K66-L70 WeakPolarHBondContact O-CG 3.38Å; K66-L70 PolarHBondContact O-N 3.29Å; M67-L70 HydrophobicContact CE-CD1 3.57Å; L70-R72 PolarHBondContact O-N 3.23Å; L70-R72 VanDerWaalsContact O-N 3.12Å; L70-I73 PolarHBondContact O-N 2.71Å; L70-I73 VanDerWaalsContact O-N 3.15Å; L70-Y74 HydrophobicContact CD2-CD2 3.86Å; L70-Y74 HydrophobicContact CD2-CE2 4.23Å; L70-Y74 WeakPolarHBondContact O-CB 3.4Å; L70-Y74 PolarHBondContact O-N 3.18Å
71	P	41.9	Very low	56.2	Low	80 Å²	80	94.9 Å²	94.9	52%	0.519	45%	0.451	S	S	.	.	H	α-helix	trans	-56.5	-20.9	171.3	-31	36.1	0	0	0	116.1	M67 N75	M67-P71 WeakPolarHBondContact O-CD 3.36Å; P71-N75 PolarHBondContact O-ND2 2.93Å
72	R	41.1	Very low	54.1	Low	147 Å²	147	96.7 Å²	96.7	56%	0.555	46%	0.462	S	S	*	.	H	α-helix	trans	-83.1	-53.6	169	-71.9	-177.2	169.9	172.5	-4.7	110.5	Y69 L70 Y74 N75 Q76	Y69-R72 PolarHBondContact O-N 3.43Å; L70-R72 PolarHBondContact O-N 3.23Å; L70-R72 VanDerWaalsContact O-N 3.12Å; R72-Y74 PolarHBondContact O-N 3.06Å; R72-N75 PolarHBondContact O-N 2.98Å; R72-N75 VanDerWaalsContact O-N 3.17Å; R72-Q76 PolarHBondContact O-N 3.07Å
73	I	44.6	Very low	52.1	Low	89 Å²	89	99.8 Å²	99.8	46%	0.456	48%	0.475	S	S	.	.	H	α-helix	trans	-67.1	-35.7	-174	-58.3	175	0	0	0	113.1	Y69 L70 N75 Q76 K77	Y69-I73 PolarHBondContact O-N 3.16Å; L70-I73 PolarHBondContact O-N 2.71Å; L70-I73 VanDerWaalsContact O-N 3.15Å; I73-N75 VanDerWaalsContact C-N 3.33Å; I73-Q76 PolarHBondContact O-N 2.95Å; I73-K77 HydrophobicContact CG2-CD 4.5Å; I73-K77 HydrophobicContact CG2-CG 4.5Å; I73-K77 WeakPolarHBondContact O-CB 3.31Å; I73-K77 PolarHBondContact O-N 3.02Å
74	Y	36.1	Very low	49.8	Very low	138 Å²	138	102.3 Å²	102.3	54%	0.541	49%	0.491	S	S	.	.	H	α-helix	trans	-68.2	-32.9	175.8	-114.5	-95.5	0	0	0	112.1	L70 R72 I78	L70-Y74 HydrophobicContact CD2-CD2 3.86Å; L70-Y74 HydrophobicContact CD2-CE2 4.23Å; L70-Y74 WeakPolarHBondContact O-CB 3.4Å; L70-Y74 PolarHBondContact O-N 3.18Å; R72-Y74 PolarHBondContact O-N 3.06Å; Y74-I78 HydrophobicContact CD1-CD1 3.75Å; Y74-I78 HydrophobicContact CD1-CG1 4.42Å; Y74-I78 HydrophobicContact CE1-CD1 4.31Å; Y74-I78 VanDerWaalsContact O-CB 3.28Å; Y74-I78 WeakPolarHBondContact O-CB 3.49Å; Y74-I78 VanDerWaalsContact O-CG1 3.27Å; Y74-I78 WeakPolarHBondContact O-CG1 3.14Å; Y74-I78 PolarHBondContact O-N 3.38Å
75	N	34.9	Very low	47.8	Very low	99 Å²	99	101.9 Å²	101.9	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-71.5	-49.4	172.6	-80.6	-55.4	0	0	0	110.9	P71 R72 I73 K77 I78 I79	P71-N75 PolarHBondContact O-ND2 2.93Å; R72-N75 PolarHBondContact O-N 2.98Å; R72-N75 VanDerWaalsContact O-N 3.17Å; I73-N75 VanDerWaalsContact C-N 3.33Å; N75-K77 VanDerWaalsContact C-N 3.27Å; N75-K77 PolarHBondContact O-N 3.33Å; N75-I78 PolarHBondContact O-N 2.81Å; N75-I79 VanDerWaalsContact O-CB 3.3Å; N75-I79 WeakPolarHBondContact O-CB 3.25Å; N75-I79 WeakPolarHBondContact O-CD1 3.4Å; N75-I79 WeakPolarHBondContact O-CG1 3.26Å; N75-I79 PolarHBondContact O-N 3.32Å
76	Q	36.4	Very low	46.3	Very low	76 Å²	76	103.1 Å²	103.1	36%	0.355	50%	0.497	S	S	.	.	H	α-helix	trans	-54.6	-42.7	176.6	-123.9	98.2	15.5	0	0	112.1	R72 I73 I79 N80 E606	R72-Q76 PolarHBondContact O-N 3.07Å; I73-Q76 PolarHBondContact O-N 2.95Å; Q76-I79 PolarHBondContact O-N 2.91Å; Q76-N80 WeakPolarHBondContact O-CB 3.3Å; Q76-N80 VanDerWaalsContact O-CG 3.25Å; Q76-N80 PolarHBondContact O-N 3.12Å; Q76-N80 PolarHBondContact O-OD1 2.89Å; Q76-E606 PolarHBondContact NE2-OE1 3.04Å; Q76-E606 PolarHBondContact NE2-OE2 3.38Å
77	K	38	Very low	44.4	Very low	128 Å²	128	107.2 Å²	107.2	56%	0.557	52%	0.517	S	S	*	.	H	α-helix	trans	-72.7	-45.3	178.8	-72.3	-164.3	170.8	-160.2	0	113.7	I73 N75 I79 N80 D81	I73-K77 HydrophobicContact CG2-CD 4.5Å; I73-K77 HydrophobicContact CG2-CG 4.5Å; I73-K77 WeakPolarHBondContact O-CB 3.31Å; I73-K77 PolarHBondContact O-N 3.02Å; N75-K77 VanDerWaalsContact C-N 3.27Å; N75-K77 PolarHBondContact O-N 3.33Å; K77-I79 PolarHBondContact O-N 3.38Å; K77-N80 PolarHBondContact O-N 3.3Å; K77-D81 VanDerWaalsContact O-CB 3.29Å; K77-D81 WeakPolarHBondContact O-CB 3.27Å; K77-D81 PolarHBondContact O-N 2.93Å
78	I	39.9	Very low	42.7	Very low	74 Å²	74	108.9 Å²	108.9	38%	0.379	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-23.5	175.7	-70.1	175	0	0	0	111.7	Y74 N75 K82	Y74-I78 HydrophobicContact CD1-CD1 3.75Å; Y74-I78 HydrophobicContact CD1-CG1 4.42Å; Y74-I78 HydrophobicContact CE1-CD1 4.31Å; Y74-I78 VanDerWaalsContact O-CB 3.28Å; Y74-I78 WeakPolarHBondContact O-CB 3.49Å; Y74-I78 VanDerWaalsContact O-CG1 3.27Å; Y74-I78 WeakPolarHBondContact O-CG1 3.14Å; Y74-I78 PolarHBondContact O-N 3.38Å; N75-I78 PolarHBondContact O-N 2.81Å; I78-K82 HydrophobicContact CG2-CD 4.16Å; I78-K82 VanDerWaalsContact O-CB 3.3Å; I78-K82 WeakPolarHBondContact O-CB 3.35Å; I78-K82 VanDerWaalsContact O-CD 3.31Å; I78-K82 WeakPolarHBondContact O-CD 3.42Å; I78-K82 WeakPolarHBondContact O-CG 3.38Å
79	I	39.5	Very low	41.5	Very low	71 Å²	71	107.8 Å²	107.8	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-76.2	-50.3	171.3	-71.1	166.3	0	0	0	110.6	N75 Q76 K77 K82 L83	N75-I79 VanDerWaalsContact O-CB 3.3Å; N75-I79 WeakPolarHBondContact O-CB 3.25Å; N75-I79 WeakPolarHBondContact O-CD1 3.4Å; N75-I79 WeakPolarHBondContact O-CG1 3.26Å; N75-I79 PolarHBondContact O-N 3.32Å; Q76-I79 PolarHBondContact O-N 2.91Å; K77-I79 PolarHBondContact O-N 3.38Å; I79-K82 PolarHBondContact O-N 3.02Å; I79-L83 HydrophobicContact CG2-CD1 3.75Å; I79-L83 HydrophobicContact CG2-CG 4.48Å; I79-L83 WeakPolarHBondContact O-CG 3.28Å; I79-L83 PolarHBondContact O-N 2.95Å
80	N	42.7	Very low	40.3	Very low	85 Å²	85	107.7 Å²	107.7	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-65.5	-49.7	-179.1	-70.1	11.6	0	0	0	112.5	Q76 K77 K82 L83 D84	Q76-N80 WeakPolarHBondContact O-CB 3.3Å; Q76-N80 VanDerWaalsContact O-CG 3.25Å; Q76-N80 PolarHBondContact O-N 3.12Å; Q76-N80 PolarHBondContact O-OD1 2.89Å; K77-N80 PolarHBondContact O-N 3.3Å; N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-L83 PolarHBondContact O-N 3.16Å; N80-D84 PolarHBondContact O-N 3.39Å
81	D	41.8	Very low	39.2	Very low	98 Å²	98	110.6 Å²	110.6	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-57.5	-29.1	178.5	-59.4	-18.6	0	0	0	111.1	K77 D85	K77-D81 VanDerWaalsContact O-CB 3.29Å; K77-D81 WeakPolarHBondContact O-CB 3.27Å; K77-D81 PolarHBondContact O-N 2.93Å; D81-D85 PolarHBondContact O-N 2.87Å
82	K	43.9	Very low	38.7	Very low	126 Å²	126	114 Å²	114	55%	0.548	57%	0.569	S	S	.	*	H	α-helix	trans	-88.6	-16.4	174.6	-72.6	-178.1	-179.7	176.9	0	115.1	I78 I79 N80 I86	I78-K82 HydrophobicContact CG2-CD 4.16Å; I78-K82 VanDerWaalsContact O-CB 3.3Å; I78-K82 WeakPolarHBondContact O-CB 3.35Å; I78-K82 VanDerWaalsContact O-CD 3.31Å; I78-K82 WeakPolarHBondContact O-CD 3.42Å; I78-K82 WeakPolarHBondContact O-CG 3.38Å; I79-K82 PolarHBondContact O-N 3.02Å; N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 VanDerWaalsContact O-N 3.09Å; K82-I86 WeakPolarHBondContact O-CB 3.49Å; K82-I86 VanDerWaalsContact O-CD1 3.25Å; K82-I86 WeakPolarHBondContact O-CD1 3.31Å; K82-I86 WeakPolarHBondContact O-CG1 3.22Å
83	L	47.7	Very low	37.9	Very low	83 Å²	83	112.4 Å²	112.4	44%	0.435	58%	0.575	S	S	.	*	H	α-helix	trans	-79.7	-40.3	172.7	-78.4	165.8	0	0	0	110.1	I79 N80 I86 Q87	I79-L83 HydrophobicContact CG2-CD1 3.75Å; I79-L83 HydrophobicContact CG2-CG 4.48Å; I79-L83 WeakPolarHBondContact O-CG 3.28Å; I79-L83 PolarHBondContact O-N 2.95Å; N80-L83 PolarHBondContact O-N 3.16Å; L83-I86 PolarHBondContact O-N 2.88Å; L83-I86 VanDerWaalsContact O-N 3.11Å; L83-Q87 PolarHBondContact O-N 3.14Å
84	D	41.1	Very low	37.1	Very low	103 Å²	103	114 Å²	114	55%	0.551	59%	0.589	S	S	*	*	H	α-helix	trans	-64.2	-41.8	175.8	-65.5	-20.3	0	0	0	111.3	N80 I86 Q87	N80-D84 PolarHBondContact O-N 3.39Å; D84-I86 PolarHBondContact O-N 3.47Å; D84-Q87 PolarHBondContact O-N 3.1Å
85	D	42	Very low	36.8	Very low	122 Å²	122	113.8 Å²	113.8	65%	0.652	60%	0.602	S	S	*	*	H	α-helix	trans	-62.2	-22.3	172.3	-88.9	-11.8	0	0	0	113.9	D81	D81-D85 PolarHBondContact O-N 2.87Å
86	I	45	Very low	36.3	Very low	120 Å²	120	114.1 Å²	114.1	62%	0.615	61%	0.613	S	S	*	*	H	α-helix	trans	-96.1	-26.8	-177.2	-73	174.6	0	0	0	112.4	K82 L83 D84 L88	K82-I86 WeakPolarHBondContact O-CB 3.49Å; K82-I86 VanDerWaalsContact O-CD1 3.25Å; K82-I86 WeakPolarHBondContact O-CD1 3.31Å; K82-I86 WeakPolarHBondContact O-CG1 3.22Å; L83-I86 PolarHBondContact O-N 2.88Å; L83-I86 VanDerWaalsContact O-N 3.11Å; D84-I86 PolarHBondContact O-N 3.47Å; I86-L88 VanDerWaalsContact C-N 3.32Å; I86-L88 PolarHBondContact O-N 2.88Å
87	Q	39.6	Very low	36	Very low	149 Å²	149	116.7 Å²	116.7	70%	0.696	64%	0.639	S	S	*	*	H	α-helix	trans	-78.6	-10.7	179.1	-69.7	-169.5	22.5	0	0	114.4	L83 D84	L83-Q87 PolarHBondContact O-N 3.14Å; D84-Q87 PolarHBondContact O-N 3.1Å
88	L	35.8	Very low	35.5	Very low	147 Å²	147	116 Å²	116	77%	0.77	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	1.9	-179	-79.8	166	0	0	0	115.5	I86	I86-L88 VanDerWaalsContact C-N 3.32Å; I86-L88 PolarHBondContact O-N 2.88Å
89	N	32.8	Very low	35	Very low	136 Å²	136	117.6 Å²	117.6	73%	0.727	67%	0.668	S	S	*	*			trans	-130.9	64	-176.2	-79	-61.2	0	0	0	113.9
90	I	31.4	Very low	34.5	Very low	130 Å²	130	120.3 Å²	120.3	67%	0.667	69%	0.688	S	S	*	*			trans	-130.5	107.9	165.4	-54.3	179.7	0	0	0	109.6	I92	I90-I92 HydrophobicContact CG2-CG1 4.07Å; I90-I92 PolarHBondContact O-N 2.95Å
91	P	27.5	Very low	34	Very low	121 Å²	121	122.3 Å²	122.3	79%	0.786	70%	0.704	S	S	*	*			trans	-80	114.2	175.2	30.9	-31.6	0	0	0	110.6
92	I	31	Very low	33.4	Very low	153 Å²	153	123.5 Å²	123.5	79%	0.785	71%	0.714	S	S	*	*			trans	-106.8	103.9	172.8	-56.1	-179	0	0	0	109.1	I90	I90-I92 HydrophobicContact CG2-CG1 4.07Å; I90-I92 PolarHBondContact O-N 2.95Å
93	T	25.3	Very low	32.8	Very low	112 Å²	112	122.9 Å²	122.9	69%	0.687	72%	0.721	S	S	*	*			trans	-104.8	153.4	170.4	47.9	0	0	0	0	110.7
94	T	26.5	Very low	32.1	Very low	123 Å²	123	124 Å²	124	76%	0.755	73%	0.732	S	S	*	*			trans	70.9	145.1	175.9	77.8	0	0	0	0	114.6
95	T	30	Very low	31.7	Very low	133 Å²	133	126.1 Å²	126.1	82%	0.816	74%	0.742	S	S	*	*			cis	-150.2	165.4	-6.3	-6.1	0	0	0	0	111.1
96	S	24.5	Very low	31.2	Very low	107 Å²	107	126.2 Å²	126.2	75%	0.748	74%	0.742	S	S	*	*			trans	-78.9	145.8	179.9	53.3	0	0	0	0	115.7
97	S	30.3	Very low	30.5	Very low	129 Å²	129	127 Å²	127	90%	0.902	74%	0.743	S	S	*	*			trans	-172.5	169	139.3	39.6	0	0	0	0	111.8
98	S	26.8	Very low	30.2	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	74%	0.744	S	S	*	*			trans	-147.9	141	-155.9	56.4	0	0	0	0	115.7
99	S	30.7	Very low	29.9	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	74%	0.738	S	S	*	*			trans	-177.2	130.1	147.6	45	0	0	0	0	109.1
100	T	28.5	Very low	29.9	Very low	127 Å²	127	129 Å²	129	78%	0.779	74%	0.74	S	S	*	*			cis	87.5	103.9	35.1	66.5	0	0	0	0	116.1
101	T	31.3	Very low	29.9	Very low	128 Å²	128	126.8 Å²	126.8	79%	0.785	74%	0.736	S	S	*	*			trans	-177	102.3	145	20.7	0	0	0	0	107.5
102	T	29.1	Very low	29.9	Very low	122 Å²	122	127.6 Å²	127.6	75%	0.748	73%	0.732	S	S	*	*				60.4	129.2	91.8	62.6	0	0	0	0	113.8
103	T	33	Very low	29.7	Very low	113 Å²	113	126.8 Å²	126.8	69%	0.693	73%	0.729	S	S	*	*			cis	-161.2	151.6	46.4	45.2	0	0	0	0	113.9
104	T	32.1	Very low	30.1	Very low	108 Å²	108	128 Å²	128	66%	0.663	73%	0.732	S	S	*	*			trans	54.9	144.3	146.3	57	0	0	0	0	119.9
105	I	33.4	Very low	30.1	Very low	147 Å²	147	128.6 Å²	128.6	75%	0.754	73%	0.73	S	S	*	*			cis	-160.1	155.7	5.2	-115.5	158.2	0	0	0	107.1
106	D	31.6	Very low	30	Very low	123 Å²	123	129.3 Å²	129.3	66%	0.658	73%	0.728	S	S	*	*			cis	-173.6	162	-39.6	-100.6	-26.2	0	0	0	109.3
107	E	30	Very low	30.2	Very low	137 Å²	137	131.9 Å²	131.9	64%	0.64	73%	0.733	S	S	*	*			trans	65.8	138.1	159.3	-70.2	-169	124.5	0	0	120.7
108	R	33.5	Very low	30.1	Very low	186 Å²	186	135.1 Å²	135.1	70%	0.702	73%	0.734	S	S	*	*			cis	-148.7	137.9	3.8	-96.8	139.3	-169.5	164.2	8.7	111.2
109	N	29.8	Very low	30.1	Very low	122 Å²	122	137.7 Å²	137.7	65%	0.652	73%	0.734	S	S	*	*				33.3	139.7	115.7	-42.4	-19.6	0	0	0	118.7
110	H	32.7	Very low	30.1	Very low	166 Å²	166	144.8 Å²	144.8	77%	0.769	74%	0.743	S	S	*	*			cis	-160.6	175.7	32.9	-84.8	-71.1	0	0	0	109.2
111	S	30.6	Very low	30	Very low	83 Å²	83	148 Å²	148	58%	0.58	75%	0.747	S	S	*	*			cis	-161.7	134	-14.7	-106.8	0	0	0	0	106.9
112	I	27	Very low	29.8	Very low	139 Å²	139	147.3 Å²	147.3	71%	0.713	75%	0.747	S	S	*	*				65.3	109.8	99.6	-58.2	175.6	0	0	0	116
113	N	27.7	Very low	29.8	Very low	135 Å²	135	146.2 Å²	146.2	72%	0.722	74%	0.742	S	S	*	*			trans	55.5	163.8	149.1	-52.9	2.8	0	0	0	119
114	D	32.7	Very low	29.6	Very low	137 Å²	137	150.1 Å²	150.1	73%	0.733	75%	0.75	S	S	*	*			cis	-123.6	145.3	12.5	-77.9	-56.9	0	0	0	110.9
115	L	27.7	Very low	29.4	Very low	137 Å²	137	151.2 Å²	151.2	72%	0.717	75%	0.752	S	S	*	*				70.6	135	70	-86.7	172.2	0	0	0	116.3
116	N	28.3	Very low	29.2	Very low	147 Å²	147	152.2 Å²	152.2	79%	0.786	76%	0.758	S	S	*	*			trans	70.4	112.1	-178.3	-52.4	-41.3	0	0	0	115.7
117	L	26.9	Very low	29.1	Very low	162 Å²	162	152.8 Å²	152.8	85%	0.848	76%	0.761	S	S	*	*			cis	87.1	86.3	43.2	-170.6	88.1	0	0	0	113.7
118	E	29.2	Very low	29.2	Very low	196 Å²	196	154.2 Å²	154.2	92%	0.916	77%	0.765	S	S	*	*			trans	-155.8	172.1	138.8	-126.5	-179.1	-168	0	0	113.1
119	Q	26.9	Very low	29.2	Very low	168 Å²	168	152.2 Å²	152.2	79%	0.785	77%	0.768	S	S	*	*			trans	-112.6	126.2	-157.5	-52.8	175.1	16.3	0	0	114.2
120	R	30.3	Very low	29.1	Very low	257 Å²	257	155 Å²	155	97%	0.97	77%	0.774	S	S	*	*			trans	-141.1	134.6	152	-68.7	-164.5	177	-167.7	0.6	111.4
121	K	26.3	Very low	29.1	Very low	196 Å²	196	152.7 Å²	152.7	85%	0.852	77%	0.767	S	S	*	*			trans	-116.5	135.9	-175.8	-66.2	176.7	178.4	175.1	0	111.8
122	S	26.5	Very low	29	Very low	112 Å²	112	155.9 Å²	155.9	78%	0.783	77%	0.768	S	S	*	*			trans	-175.6	167.6	152.1	69.6	0	0	0	0	110.3
123	P	30.8	Very low	29.2	Very low	100 Å²	100	157.6 Å²	157.6	65%	0.649	77%	0.77	S	S	*	*			cis	-126.4	-160.4	-30.6	23.2	0.2	0	0	0	111.7
124	F	28.5	Very low	29.4	Very low	195 Å²	195	156 Å²	156	86%	0.855	77%	0.765	S	S	*	*			trans	83.3	41.8	166.4	-61.5	-71.7	0	0	0	120.9
125	D	28.1	Very low	29.4	Very low	131 Å²	131	155 Å²	155	70%	0.701	76%	0.756	S	S	*	*			trans	-142.2	51.3	156.9	-131.2	-22.5	0	0	0	115.4
126	L	27.4	Very low	29.7	Very low	168 Å²	168	153.2 Å²	153.2	88%	0.88	75%	0.746	S	S	*	*			trans	-133.3	85.6	170.7	-78.4	98.3	0	0	0	112.2
127	N	30.5	Very low	29.9	Very low	135 Å²	135	152.1 Å²	152.1	72%	0.722	74%	0.74	S	S	*	*	S	Bend	trans	-162.5	-16.8	150.5	-122.8	-35.3	0	0	0	115.9	N129	N127-N129 VanDerWaalsContact C-N 3.29Å; N127-N129 PolarHBondContact O-N 3.48Å
128	K	33	Very low	30.3	Very low	166 Å²	166	152 Å²	152	72%	0.722	73%	0.733	S	S	*	*	H	α-helix	trans	-62.8	-30	-178	-73.7	173.3	-178.6	160.6	0	114.2
129	N	31.6	Very low	30.5	Very low	145 Å²	145	146.8 Å²	146.8	78%	0.775	71%	0.712	S	S	*	*	H	α-helix	trans	-82.6	-11.3	-172.9	-78.9	-21.1	0	0	0	115.9	N127	N127-N129 VanDerWaalsContact C-N 3.29Å; N127-N129 PolarHBondContact O-N 3.48Å
130	F	28.5	Very low	30.9	Very low	179 Å²	179	144.5 Å²	144.5	79%	0.785	70%	0.704	S	S	*	*	H	α-helix	trans	-84.2	-26.5	-178	-137.7	-92.3	0	0	0	113.6
131	L	33.3	Very low	30.9	Very low	118 Å²	118	139.6 Å²	139.6	62%	0.618	69%	0.692	S	S	*	*	H	α-helix	trans	-77.8	-27.2	179.6	-118.8	143.2	0	0	0	113.2	K133 T134	L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 3.42Å; L131-T134 PolarHBondContact O-OG1 3.05Å
132	Y	29	Very low	31.3	Very low	151 Å²	151	134.6 Å²	134.6	59%	0.592	67%	0.674	S	S	*	*	H	α-helix	trans	-64.4	-31.7	177.8	-105.7	-91.2	0	0	0	113.1	T134 I136	Y132-T134 PolarHBondContact O-N 3Å; Y132-I136 WeakPolarHBondContact O-CD1 3.28Å; Y132-I136 WeakPolarHBondContact O-CG1 3.36Å
133	K	29.7	Very low	31.5	Very low	174 Å²	174	133.7 Å²	133.7	76%	0.757	66%	0.66	S	S	*	*	H	α-helix	trans	-77.9	-19	-174.5	-130.1	170.6	-174.5	174.6	0	114.1	L131	L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 3.42Å
134	T	31.8	Very low	31.5	Very low	102 Å²	102	138.1 Å²	138.1	63%	0.626	66%	0.664	S	S	*	*	H	α-helix	trans	-92.7	-25.9	176.7	19	0	0	0	0	113.9	L131 Y132	L131-T134 PolarHBondContact O-OG1 3.05Å; Y132-T134 PolarHBondContact O-N 3Å
135	Q	33.8	Very low	31.5	Very low	117 Å²	117	135.6 Å²	135.6	55%	0.547	65%	0.653	S	S	.	*	H	α-helix	trans	-74.8	-32.7	176.3	-74.6	-179.5	-39	0	0	112.8	N137 K138	Q135-N137 PolarHBondContact O-N 2.92Å; Q135-K138 PolarHBondContact O-N 3.44Å
136	I	34.1	Very low	31.7	Very low	99 Å²	99	134.5 Å²	134.5	51%	0.508	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-55.4	-36.7	179.6	-71.8	167.1	0	0	0	112.4	Y132 K138 N139	Y132-I136 WeakPolarHBondContact O-CD1 3.28Å; Y132-I136 WeakPolarHBondContact O-CG1 3.36Å; I136-K138 VanDerWaalsContact C-N 3.25Å; I136-K138 PolarHBondContact O-N 3.38Å; I136-N139 PolarHBondContact O-N 3.49Å
137	N	31.5	Very low	31.8	Very low	123 Å²	123	131.9 Å²	131.9	66%	0.658	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-72.2	-8.1	-179.5	-79.2	-12.1	0	0	0	115.1	Q135	Q135-N137 PolarHBondContact O-N 2.92Å
138	K	35.2	Very low	32	Very low	159 Å²	159	129.6 Å²	129.6	69%	0.691	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-90.2	-18.7	170.4	-73.5	-171.3	173.5	-175.3	0	113.6	Q135 I136 L140 E141	Q135-K138 PolarHBondContact O-N 3.44Å; I136-K138 VanDerWaalsContact C-N 3.25Å; I136-K138 PolarHBondContact O-N 3.38Å; K138-L140 PolarHBondContact O-N 2.88Å; K138-E141 PolarHBondContact O-N 3.17Å
139	N	34.9	Very low	31.8	Very low	88 Å²	88	125.2 Å²	125.2	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-74.2	-13.3	-177.1	-67.5	-17.5	0	0	0	113.4	I136 E141 I142 N143	I136-N139 PolarHBondContact O-N 3.49Å; N139-E141 VanDerWaalsContact C-N 3.27Å; N139-E141 PolarHBondContact O-N 3.17Å; N139-I142 PolarHBondContact O-N 3.15Å; N139-N143 PolarHBondContact O-N 3.38Å
140	L	34.1	Very low	31.7	Very low	120 Å²	120	124.7 Å²	124.7	63%	0.628	61%	0.61	S	S	*	*	H	α-helix	trans	-66.6	-23.3	173.5	-86.1	161.5	0	0	0	113.9	K138	K138-L140 PolarHBondContact O-N 2.88Å
141	E	30.7	Very low	31.7	Very low	153 Å²	153	125.9 Å²	125.9	72%	0.715	61%	0.611	S	S	*	*	H	α-helix	trans	-82.1	-27.1	175.1	-62.7	-171.4	131.1	0	0	112.2	K138 N139	K138-E141 PolarHBondContact O-N 3.17Å; N139-E141 VanDerWaalsContact C-N 3.27Å; N139-E141 PolarHBondContact O-N 3.17Å
142	I	33.9	Very low	31.5	Very low	91 Å²	91	126.2 Å²	126.2	47%	0.467	61%	0.613	S	S	.	*	H	α-helix	trans	-71.9	-41.7	-179.1	-62.6	177.5	0	0	0	110.9	N139 R144 F145	N139-I142 PolarHBondContact O-N 3.15Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.48Å; I142-F145 PolarHBondContact O-N 2.63Å; I142-F145 VanDerWaalsContact O-N 3.09Å
143	N	31.2	Very low	31.6	Very low	94 Å²	94	123.5 Å²	123.5	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-60.5	-35	178.7	-70.9	-6.3	0	0	0	112.6	N139 F145 I146 D147	N139-N143 PolarHBondContact O-N 3.38Å; N143-F145 PolarHBondContact O-N 2.96Å; N143-I146 WeakPolarHBondContact O-CB 3.4Å; N143-I146 PolarHBondContact O-N 3.25Å; N143-D147 PolarHBondContact O-N 2.77Å
144	R	30.2	Very low	31.7	Very low	193 Å²	193	120.5 Å²	120.5	73%	0.728	60%	0.601	S	S	*	*	H	α-helix	trans	-63.8	-20.6	177.5	-70.9	-174.7	169.9	-155.7	-4.4	114.2	I142 S148	I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.48Å; R144-S148 PolarHBondContact O-OG 3.05Å
145	F	29.9	Very low	31.7	Very low	142 Å²	142	120.7 Å²	120.7	62%	0.623	60%	0.597	S	S	*	*	H	α-helix	trans	-82.2	-26.6	174.1	-113.4	-83.2	0	0	0	112.7	I142 N143 S148 W670	I142-F145 PolarHBondContact O-N 2.63Å; I142-F145 VanDerWaalsContact O-N 3.09Å; N143-F145 PolarHBondContact O-N 2.96Å; F145-S148 PolarHBondContact O-N 3.22Å; F145-W670 HydrophobicContact CE2-CZ2 4.35Å; F145-W670 AromaticContact CZ-CZ2 3.95Å; F145-W670 HydrophobicContact CZ-CZ2 3.95Å
146	I	32.4	Very low	31.6	Very low	108 Å²	108	120.3 Å²	120.3	55%	0.554	60%	0.598	S	S	*	*	H	α-helix	trans	-73	-40.6	177.3	-61.7	174.5	0	0	0	110	N143 S148 S149	N143-I146 WeakPolarHBondContact O-CB 3.4Å; N143-I146 PolarHBondContact O-N 3.25Å; I146-S148 PolarHBondContact O-N 2.93Å; I146-S148 VanDerWaalsContact O-N 3.11Å; I146-S149 WeakPolarHBondContact O-CB 3.3Å; I146-S149 PolarHBondContact O-N 3.38Å; I146-S149 PolarHBondContact O-OG 3.24Å
147	D	29.6	Very low	31.5	Very low	113 Å²	113	122.6 Å²	122.6	60%	0.604	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-60.5	-21.3	175.2	-62.7	-31	0	0	0	113.4	N143 S149	N143-D147 PolarHBondContact O-N 2.77Å; D147-S149 PolarHBondContact O-N 3.23Å
148	S	32.8	Very low	31.5	Very low	86 Å²	86	121.5 Å²	121.5	60%	0.601	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-76.1	-4.2	177	-61.3	0	0	0	0	113.9	R144 F145 I146 H150	R144-S148 PolarHBondContact O-OG 3.05Å; F145-S148 PolarHBondContact O-N 3.22Å; I146-S148 PolarHBondContact O-N 2.93Å; I146-S148 VanDerWaalsContact O-N 3.11Å; S148-H150 PolarHBondContact O-N 3.14Å
149	S	29.5	Very low	31.3	Very low	75 Å²	75	117.6 Å²	117.6	52%	0.524	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-73.8	-3.1	174.9	62.2	0	0	0	0	114.4	I146 D147 Y151 L152	I146-S149 WeakPolarHBondContact O-CB 3.3Å; I146-S149 PolarHBondContact O-N 3.38Å; I146-S149 PolarHBondContact O-OG 3.24Å; D147-S149 PolarHBondContact O-N 3.23Å; S149-Y151 PolarHBondContact O-N 3.13Å; S149-L152 PolarHBondContact O-N 3.04Å; S149-L152 VanDerWaalsContact O-N 3.16Å
150	H	29.8	Very low	31.2	Very low	134 Å²	134	119 Å²	119	62%	0.62	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-59.5	-10.9	-172.9	-124.9	-78	0	0	0	116.3	S148	S148-H150 PolarHBondContact O-N 3.14Å
151	Y	28.6	Very low	31.1	Very low	203 Å²	203	120.1 Å²	120.1	80%	0.796	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-75.8	-16.8	175.6	-93.9	-91.3	0	0	0	114.7	S149 N153	S149-Y151 PolarHBondContact O-N 3.13Å; Y151-N153 VanDerWaalsContact C-N 3.35Å
152	L	28.7	Very low	31.2	Very low	126 Å²	126	117.8 Å²	117.8	66%	0.66	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-78	-15.5	178.4	-90.7	163	0	0	0	114.2	S149 N154 I155	S149-L152 PolarHBondContact O-N 3.04Å; S149-L152 VanDerWaalsContact O-N 3.16Å; L152-N154 VanDerWaalsContact C-N 3.32Å; L152-N154 PolarHBondContact O-N 3.08Å; L152-I155 HydrophobicContact CD2-CD1 4.2Å
153	N	31.9	Very low	31.1	Very low	93 Å²	93	120.4 Å²	120.4	50%	0.497	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-71.4	-21.7	-178.2	-79.8	-30.4	0	0	0	114.1	Y151 I155 N156	Y151-N153 VanDerWaalsContact C-N 3.35Å; N153-I155 VanDerWaalsContact C-N 3.31Å; N153-I155 PolarHBondContact O-N 3.16Å; N153-N156 PolarHBondContact O-N 3.11Å
154	N	30.5	Very low	31.3	Very low	111 Å²	111	123 Å²	123	59%	0.594	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-74.4	-17.3	-177.6	-75.1	16	0	0	0	113.9	L152 N156 Q157	L152-N154 VanDerWaalsContact C-N 3.32Å; L152-N154 PolarHBondContact O-N 3.08Å; N154-N156 PolarHBondContact O-N 3.43Å; N154-Q157 PolarHBondContact O-N 3.47Å
155	I	31.4	Very low	31.3	Very low	107 Å²	107	120.7 Å²	120.7	55%	0.549	61%	0.607	S	S	.	*	H	α-helix	trans	-70	-25.7	177.5	-63.5	-179.1	0	0	0	111.2	L152 N153 Q157 N159	L152-I155 HydrophobicContact CD2-CD1 4.2Å; N153-I155 VanDerWaalsContact C-N 3.31Å; N153-I155 PolarHBondContact O-N 3.16Å; I155-Q157 PolarHBondContact O-N 3.24Å; I155-N159 PolarHBondContact O-ND2 3.47Å
156	N	32.7	Very low	31.2	Very low	108 Å²	108	121.4 Å²	121.4	58%	0.578	62%	0.617	S	S	*	*	H	α-helix	trans	-76.3	-19	179.4	-68.6	-28.8	0	0	0	113.7	N153 N154	N153-N156 PolarHBondContact O-N 3.11Å; N154-N156 PolarHBondContact O-N 3.43Å
157	Q	32.4	Very low	31	Very low	147 Å²	147	123.1 Å²	123.1	69%	0.687	63%	0.627	S	S	*	*	H	α-helix	trans	-86.5	-22.8	178.9	-92	178.8	-27.5	0	0	114.2	N154 I155 N159	N154-Q157 PolarHBondContact O-N 3.47Å; I155-Q157 PolarHBondContact O-N 3.24Å; Q157-N159 VanDerWaalsContact C-N 3.35Å
158	L	30.9	Very low	30.9	Very low	100 Å²	100	124.7 Å²	124.7	52%	0.524	63%	0.634	S	S	.	*	H	α-helix	trans	-76.7	-22.6	-179.8	-153.4	74.5	0	0	0	113.1
159	N	31.4	Very low	30.6	Very low	77 Å²	77	128 Å²	128	41%	0.412	64%	0.644	S	S	.	*	H	α-helix	trans	-75.4	-21	-179.3	-72.4	-38.6	0	0	0	113.7	I155 Q157	I155-N159 PolarHBondContact O-ND2 3.47Å; Q157-N159 VanDerWaalsContact C-N 3.35Å
160	D	31.7	Very low	30.5	Very low	119 Å²	119	130.3 Å²	130.3	64%	0.636	66%	0.655	S	S	*	*	H	α-helix	trans	-83.1	-16.8	-178.3	-78.8	-18.1	0	0	0	114
161	E	32.2	Very low	30.4	Very low	142 Å²	142	127 Å²	127	66%	0.664	66%	0.657	S	S	*	*	H	α-helix	trans	-89	-44.9	176.9	-65.5	-162.8	130.9	0	0	112.1	H163 K164	E161-H163 PolarHBondContact O-N 3.24Å; E161-H163 VanDerWaalsContact O-N 3.1Å; E161-K164 PolarHBondContact O-N 3.25Å
162	I	33	Very low	30.3	Very low	105 Å²	105	125 Å²	125	54%	0.538	66%	0.66	S	S	.	*	H	α-helix	trans	-60.5	-26.1	179.7	-62.6	176.1	0	0	0	111.8	K164	I162-K164 PolarHBondContact O-N 3.19Å
163	H	32.6	Very low	30.1	Very low	145 Å²	145	123.2 Å²	123.2	67%	0.671	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-1.2	-178.5	-119.3	-62.8	0	0	0	115.7	E161	E161-H163 PolarHBondContact O-N 3.24Å; E161-H163 VanDerWaalsContact O-N 3.1Å
164	K	34	Very low	30	Very low	150 Å²	150	126.2 Å²	126.2	65%	0.652	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-35.3	177.2	-77.5	168.3	-178.7	153.7	0	114.3	E161 I162 L166	E161-K164 PolarHBondContact O-N 3.25Å; I162-K164 PolarHBondContact O-N 3.19Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.48Å
165	D	30.3	Very low	29.7	Very low	143 Å²	143	128 Å²	128	77%	0.765	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-0.2	-165.2	-71.4	-6.9	0	0	0	115.2
166	L	29.2	Very low	29.5	Very low	157 Å²	157	130.5 Å²	130.5	82%	0.822	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	5.2	177.8	-84.5	167	0	0	0	115.1	K164	K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.48Å
167	N	27.1	Very low	29.1	Very low	144 Å²	144	132.5 Å²	132.5	77%	0.77	71%	0.707	S	S	*	*	S	Bend	trans	-94.8	10.5	176.9	-95.6	-33.9	0	0	0	114.5
168	I	28	Very low	28.8	Very low	147 Å²	147	134 Å²	134	75%	0.754	71%	0.714	S	S	*	*	S	Bend	trans	-127.9	63.2	-177.1	-44.6	-179.2	0	0	0	111.2
169	L	25.7	Very low	28.7	Very low	156 Å²	156	135.2 Å²	135.2	82%	0.817	73%	0.725	S	S	*	*	S	Bend	trans	-169.6	109.7	155.8	-105.7	155.8	0	0	0	111.9
170	T	28.9	Very low	28.5	Very low	122 Å²	122	134.6 Å²	134.6	75%	0.748	74%	0.738	S	S	*	*			trans	23.5	127.3	147.7	58.9	0	0	0	0	119.3
171	G	26.7	Very low	28.2	Very low	65 Å²	65	133.9 Å²	133.9	67%	0.67	74%	0.742	S	S	*	*			cis	75.8	74.6	12.3	0	0	0	0	0	113.7
172	N	26.7	Very low	27.9	Very low	160 Å²	160	135.4 Å²	135.4	86%	0.856	75%	0.749	S	S	*	*			trans	-177	141.9	139.1	-100.9	-24.7	0	0	0	114.6
173	S	25.5	Very low	27.6	Very low	89 Å²	89	137.6 Å²	137.6	62%	0.622	76%	0.761	S	S	*	*			trans	31.5	135.2	147.1	65.2	0	0	0	0	122.1
174	N	28.2	Very low	27.4	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	76%	0.764	S	S	*	*				-161.7	143.6	97.6	-93.1	-31.8	0	0	0	113.3
175	N	25.8	Very low	26.9	Very low	148 Å²	148	135.4 Å²	135.4	79%	0.791	77%	0.77	S	S	*	*			trans	-78.8	162.2	168.1	-55.7	-53.3	0	0	0	109.9
176	I	26.2	Very low	26.8	Very low	161 Å²	161	133.7 Å²	133.7	83%	0.826	77%	0.766	S	S	*	*				-175.4	145.1	115.6	-95.3	156.8	0	0	0	112.4
177	L	24.7	Very low	26.5	Very low	149 Å²	149	130.5 Å²	130.5	78%	0.78	76%	0.757	S	S	*	*			trans	-26.3	146.7	178.2	-67.6	60.5	0	0	0	118.8
178	Q	27	Very low	26.4	Very low	179 Å²	179	127.9 Å²	127.9	84%	0.836	75%	0.75	S	S	*	*				-149.2	136.1	116.3	-117.7	166.9	-4.9	0	0	112.1
179	T	28.2	Very low	26.2	Very low	125 Å²	125	127.3 Å²	127.3	77%	0.767	75%	0.754	S	S	*	*			trans	33.1	128.4	149.6	51.5	0	0	0	0	120.2
180	G	25.9	Very low	26.2	Very low	65 Å²	65	125 Å²	125	67%	0.67	75%	0.751	S	S	*	*			cis	64	115.8	9.6	0	0	0	0	0	113.9
181	S	26.3	Very low	26.1	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	75%	0.745	S	S	*	*			cis	-174.3	172.8	-1.7	39.7	0	0	0	0	108.5
182	E	25.3	Very low	26	Very low	174 Å²	174	125.9 Å²	125.9	81%	0.813	75%	0.747	S	S	*	*			trans	71.5	164.3	161	-61.9	-173.1	107	0	0	121.3
183	L	26.6	Very low	25.9	Very low	150 Å²	150	125.5 Å²	125.5	79%	0.785	74%	0.743	S	S	*	*			trans	80	115	158.7	-67.4	154.5	0	0	0	120.9
184	V	28.4	Very low	25.9	Very low	120 Å²	120	125.2 Å²	125.2	73%	0.727	74%	0.741	S	S	*	*			trans	74.7	108.1	134.3	178.2	0	0	0	0	116.6
185	V	25.4	Very low	25.9	Very low	129 Å²	129	125.1 Å²	125.1	78%	0.782	74%	0.735	S	S	*	*			cis	70.2	135.2	36.5	-173.4	0	0	0	0	112.4
186	P	27.5	Very low	25.9	Very low	107 Å²	107	124 Å²	124	70%	0.695	73%	0.729	S	S	*	*			cis	-130.7	-176.5	1.6	43.5	-27.2	0	0	0	115.9
187	S	23.3	Very low	25.9	Very low	90 Å²	90	123.4 Å²	123.4	63%	0.629	73%	0.728	S	S	*	*			trans	13.3	133.5	142.6	69.7	0	0	0	0	123.8
188	S	23.8	Very low	26.1	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	72%	0.723	S	S	*	*				73	142.2	123.1	72.7	0	0	0	0	123
189	T	24.1	Very low	26.1	Very low	134 Å²	134	120.5 Å²	120.5	82%	0.822	72%	0.719	S	S	*	*			trans	67	161.9	167.7	87.1	0	0	0	0	114
190	S	25.4	Very low	26.1	Very low	109 Å²	109	120.7 Å²	120.7	76%	0.762	72%	0.715	S	S	*	*			cis	-135.4	168.2	-8.3	-65.1	0	0	0	0	107
191	S	28.1	Very low	26.1	Very low	88 Å²	88	124.3 Å²	124.3	62%	0.615	72%	0.718	S	S	*	*			cis	-138.1	179.2	5.7	65.8	0	0	0	0	108.2
192	T	22.9	Very low	26	Very low	117 Å²	117	128.9 Å²	128.9	72%	0.718	72%	0.719	S	S	*	*			cis	70.7	162.3	15	73.3	0	0	0	0	116.5
193	I	25.7	Very low	26.2	Very low	152 Å²	152	127.4 Å²	127.4	78%	0.779	72%	0.717	S	S	*	*			trans	69.4	124.7	-177.1	-51.8	168	0	0	0	113.5
194	S	25	Very low	26.2	Very low	83 Å²	83	128.1 Å²	128.1	58%	0.58	72%	0.716	S	S	*	*			cis	-167.8	164.6	-13.7	57.1	0	0	0	0	112.2
195	H	27.5	Very low	26.2	Very low	153 Å²	153	130.4 Å²	130.4	71%	0.708	73%	0.725	S	S	*	*			trans	73.7	104.9	143.9	-72.1	-42.1	0	0	0	121.9
196	N	27.5	Very low	26.1	Very low	124 Å²	124	130.6 Å²	130.6	66%	0.663	73%	0.726	S	S	*	*				100.6	129	112.5	-66	-3.4	0	0	0	120.9
197	N	26.5	Very low	26	Very low	149 Å²	149	132.8 Å²	132.8	80%	0.797	73%	0.731	S	S	*	*			trans	88.3	147.9	144.2	-69	-6.4	0	0	0	119.8
198	P	28.7	Very low	26.1	Very low	105 Å²	105	136.4 Å²	136.4	68%	0.682	74%	0.743	S	S	*	*			trans	-130.7	-149.4	-144.5	35.9	-12.7	0	0	0	111.9
199	H	26.4	Very low	26.3	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.755	75%	0.751	S	S	*	*			trans	72.2	135	175.7	-87.1	-126.8	0	0	0	113.9
200	L	28.2	Very low	26.4	Very low	128 Å²	128	136.6 Å²	136.6	67%	0.67	74%	0.74	S	S	*	*			cis	-138.6	147	4.3	-88	145.6	0	0	0	108.7
201	L	26.2	Very low	26.4	Very low	141 Å²	141	138.9 Å²	138.9	74%	0.738	74%	0.744	S	S	*	*				38.3	134.4	94.7	-55.1	-174	0	0	0	114.5
202	R	24.8	Very low	26.4	Very low	200 Å²	200	137.4 Å²	137.4	76%	0.755	74%	0.742	S	S	*	*			cis	-161.8	154.9	-2.6	-137.3	178.3	173.7	158.3	-3.7	104.5
203	D	28.9	Very low	26.6	Very low	143 Å²	143	136 Å²	136	77%	0.765	73%	0.734	S	S	*	*				-163.7	158.9	65.3	-89	-40.8	0	0	0	111.8
204	E	25.4	Very low	26.7	Very low	165 Å²	165	136.3 Å²	136.3	77%	0.771	73%	0.732	S	S	*	*			trans	-94.2	136.1	-178	-58.2	172.5	124.8	0	0	111.4
205	N	28.1	Very low	26.8	Very low	168 Å²	168	139.1 Å²	139.1	90%	0.898	74%	0.74	S	S	*	*			trans	-170.2	49.2	150.2	-101	-45.4	0	0	0	112.4
206	V	25.1	Very low	26.7	Very low	133 Å²	133	136.6 Å²	136.6	81%	0.806	73%	0.731	S	S	*	*			trans	-121.6	67	176.2	-170.6	0	0	0	0	110.6
207	L	24.7	Very low	26.7	Very low	153 Å²	153	137.1 Å²	137.1	80%	0.801	73%	0.733	S	S	*	*			trans	-150.9	78.5	169.6	-161.6	70.5	0	0	0	112.4
208	N	25.6	Very low	26.7	Very low	166 Å²	166	133.7 Å²	133.7	89%	0.888	72%	0.721	S	S	*	*	S	Bend	trans	-169.3	-15.2	157.2	-100.8	-32.1	0	0	0	113.9	L210	N208-L210 PolarHBondContact O-N 2.9Å
209	S	28.5	Very low	26.8	Very low	114 Å²	114	133.5 Å²	133.5	80%	0.797	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	0.5	-175.2	-166.9	0	0	0	0	116.1
210	L	26.2	Very low	26.8	Very low	114 Å²	114	132.7 Å²	132.7	60%	0.597	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-8.8	-165.6	-84.5	162.8	0	0	0	116.2	N208	N208-L210 PolarHBondContact O-N 2.9Å
211	N	25.4	Very low	26.9	Very low	158 Å²	158	131.4 Å²	131.4	85%	0.845	70%	0.699	S	S	*	*	S	Bend	trans	-89.6	-1.9	-177.6	-72.9	-4.3	0	0	0	114.6
212	G	26.6	Very low	27.2	Very low	56 Å²	56	128.2 Å²	128.2	58%	0.577	69%	0.686	S	S	*	*	S	Bend	trans	-84.6	-21.5	178.9	0	0	0	0	0	115.1
213	T	28.2	Very low	27.4	Very low	87 Å²	87	127.1 Å²	127.1	53%	0.534	68%	0.682	S	S	.	*	S	Bend	trans	-99.4	-19.9	-163.2	45	0	0	0	0	115.3	I216	T213-I216 PolarHBondContact O-N 2.99Å
214	Q	27	Very low	27.6	Very low	159 Å²	159	125.2 Å²	125.2	74%	0.743	67%	0.671	S	S	*	*	H	α-helix	trans	-71.8	-36.6	-176.4	-70	-170.4	-11.4	0	0	113.7	I216 L217	Q214-I216 PolarHBondContact O-N 3.43Å; Q214-L217 PolarHBondContact O-N 2.91Å
215	N	26.9	Very low	27.9	Very low	142 Å²	142	123.8 Å²	123.8	76%	0.759	66%	0.662	S	S	*	*	H	α-helix	trans	-69.3	-11.4	178.6	-97.1	-7.4	0	0	0	114.6
216	I	26.5	Very low	28.1	Very low	100 Å²	100	120.5 Å²	120.5	51%	0.513	65%	0.645	S	S	.	*	H	α-helix	trans	-84.6	-34.3	176.5	-63	176.2	0	0	0	110.5	T213 Q214 Y220	T213-I216 PolarHBondContact O-N 2.99Å; Q214-I216 PolarHBondContact O-N 3.43Å; I216-Y220 HydrophobicContact CG2-CD2 4.25Å; I216-Y220 HydrophobicContact CG2-CE2 3.83Å; I216-Y220 WeakPolarHBondContact O-CD2 3.4Å
217	L	26.7	Very low	28.5	Very low	135 Å²	135	118.1 Å²	118.1	71%	0.707	63%	0.627	S	S	*	*	H	α-helix	trans	-75.2	-30.9	-165.9	-148.1	69.4	0	0	0	113.7	Q214 Y220	Q214-L217 PolarHBondContact O-N 2.91Å; L217-Y220 PolarHBondContact O-N 3.18Å
218	S	26.6	Very low	28.7	Very low	77 Å²	77	117.6 Å²	117.6	54%	0.538	62%	0.618	S	S	.	*	H	α-helix	trans	-69.5	-30.5	178.1	52.7	0	0	0	0	113.8	Y220	S218-Y220 VanDerWaalsContact C-N 3.31Å; S218-Y220 PolarHBondContact O-N 2.78Å
219	N	30.2	Very low	29	Very low	101 Å²	101	115.3 Å²	115.3	54%	0.54	60%	0.604	S	S	.	*	H	α-helix	trans	-78.1	-10.2	179.2	-89.1	-55.2	0	0	0	114.2	T222 R223	N219-T222 PolarHBondContact O-OG1 3.13Å; N219-R223 WeakPolarHBondContact O-CG 3.29Å
220	Y	26.2	Very low	29.1	Very low	147 Å²	147	113.2 Å²	113.2	58%	0.576	58%	0.583	S	S	*	*	H	α-helix	trans	-80.2	-33.6	175.2	-90.2	-82.1	0	0	0	112.8	I216 L217 S218 L224	I216-Y220 HydrophobicContact CG2-CD2 4.25Å; I216-Y220 HydrophobicContact CG2-CE2 3.83Å; I216-Y220 WeakPolarHBondContact O-CD2 3.4Å; L217-Y220 PolarHBondContact O-N 3.18Å; S218-Y220 VanDerWaalsContact C-N 3.31Å; S218-Y220 PolarHBondContact O-N 2.78Å; Y220-L224 WeakPolarHBondContact O-CB 3.35Å; Y220-L224 WeakPolarHBondContact O-CG 3.43Å; Y220-L224 PolarHBondContact O-N 3.47Å
221	D	31.2	Very low	29.3	Very low	101 Å²	101	112.8 Å²	112.8	54%	0.54	58%	0.581	S	S	.	*	H	α-helix	trans	-78.1	-35.3	-172.8	-162.2	44.2	0	0	0	112.6	K225	D221-K225 PolarHBondContact O-N 2.88Å; D221-K225 VanDerWaalsContact O-N 3.1Å
222	T	32.5	Very low	29.5	Very low	74 Å²	74	110.2 Å²	110.2	45%	0.454	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-47.8	169.4	48.9	0	0	0	0	111.4	N219 L224 K225 D226	N219-T222 PolarHBondContact O-OG1 3.13Å; T222-L224 VanDerWaalsContact C-N 3.32Å; T222-L224 PolarHBondContact O-N 3.12Å; T222-K225 WeakPolarHBondContact O-CB 3.46Å; T222-K225 PolarHBondContact O-N 3.4Å; T222-K225 VanDerWaalsContact O-N 3.12Å; T222-D226 PolarHBondContact O-N 3.4Å
223	R	29	Very low	29.6	Very low	176 Å²	176	114.2 Å²	114.2	66%	0.664	57%	0.568	S	S	*	*	H	α-helix	trans	-62	-36	176.4	-77.4	-176.5	161.9	-142.4	-7.4	112.9	N219 D226 I227	N219-R223 WeakPolarHBondContact O-CG 3.29Å; R223-D226 PolarHBondContact O-N 2.68Å; R223-I227 WeakPolarHBondContact O-CB 3.33Å; R223-I227 WeakPolarHBondContact O-CD1 3.23Å; R223-I227 WeakPolarHBondContact O-CG1 3.41Å; R223-I227 PolarHBondContact O-N 2.84Å
224	L	32.8	Very low	29.7	Very low	103 Å²	103	115 Å²	115	54%	0.539	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-39.1	173.3	-80.7	167	0	0	0	112.2	Y220 T222 F228	Y220-L224 WeakPolarHBondContact O-CB 3.35Å; Y220-L224 WeakPolarHBondContact O-CG 3.43Å; Y220-L224 PolarHBondContact O-N 3.47Å; T222-L224 VanDerWaalsContact C-N 3.32Å; T222-L224 PolarHBondContact O-N 3.12Å; L224-F228 WeakPolarHBondContact O-CB 3.3Å; L224-F228 PolarHBondContact O-N 2.74Å
225	K	31.8	Very low	29.5	Very low	136 Å²	136	111 Å²	111	59%	0.591	55%	0.552	S	S	*	*	H	α-helix	trans	-61.3	-46.6	170.5	-90.8	170.4	178.1	152.4	0	112.4	D221 T222 F228 M229	D221-K225 PolarHBondContact O-N 2.88Å; D221-K225 VanDerWaalsContact O-N 3.1Å; T222-K225 WeakPolarHBondContact O-CB 3.46Å; T222-K225 PolarHBondContact O-N 3.4Å; T222-K225 VanDerWaalsContact O-N 3.12Å; K225-F228 PolarHBondContact O-N 3.14Å; K225-M229 WeakPolarHBondContact O-CB 3.3Å; K225-M229 VanDerWaalsContact O-CG 3.28Å; K225-M229 WeakPolarHBondContact O-CG 3.33Å; K225-M229 PolarHBondContact O-N 3.39Å
226	D	32.9	Very low	29.5	Very low	99 Å²	99	108.5 Å²	108.5	53%	0.529	54%	0.541	S	S	.	.	H	α-helix	trans	-66.3	-38.5	179.8	-71.5	-32.5	0	0	0	112.2	T222 R223 M229 N230	T222-D226 PolarHBondContact O-N 3.4Å; R223-D226 PolarHBondContact O-N 2.68Å; D226-M229 PolarHBondContact O-N 2.87Å; D226-N230 VanDerWaalsContact O-CB 3.28Å; D226-N230 WeakPolarHBondContact O-CB 3.4Å; D226-N230 VanDerWaalsContact O-CG 3.26Å; D226-N230 PolarHBondContact O-N 3.29Å; D226-N230 PolarHBondContact O-ND2 2.91Å
227	I	32.1	Very low	29.3	Very low	83 Å²	83	111.5 Å²	111.5	43%	0.426	55%	0.547	S	S	.	.	H	α-helix	trans	-61	-47.3	171.6	-71.8	163.8	0	0	0	110.4	R223 M229 N230 I231	R223-I227 WeakPolarHBondContact O-CB 3.33Å; R223-I227 WeakPolarHBondContact O-CD1 3.23Å; R223-I227 WeakPolarHBondContact O-CG1 3.41Å; R223-I227 PolarHBondContact O-N 2.84Å; I227-M229 PolarHBondContact O-N 3.29Å; I227-N230 PolarHBondContact O-N 3.36Å; I227-I231 HydrophobicContact CG2-CD1 3.77Å; I227-I231 HydrophobicContact CG2-CG1 4.48Å; I227-I231 WeakPolarHBondContact O-CB 3.35Å; I227-I231 VanDerWaalsContact O-CG1 3.26Å; I227-I231 WeakPolarHBondContact O-CG1 3.44Å; I227-I231 PolarHBondContact O-N 2.9Å
228	F	30.3	Very low	29.2	Very low	141 Å²	141	111 Å²	111	62%	0.618	55%	0.553	S	S	*	*	H	α-helix	trans	-64.6	-40.1	179.6	-157.4	-91	0	0	0	112.3	L224 K225 I231 L232	L224-F228 WeakPolarHBondContact O-CB 3.3Å; L224-F228 PolarHBondContact O-N 2.74Å; K225-F228 PolarHBondContact O-N 3.14Å; F228-I231 PolarHBondContact O-N 3.38Å; F228-L232 HydrophobicContact CD1-CD1 3.95Å; F228-L232 HydrophobicContact CE1-CD1 3.97Å; F228-L232 PolarHBondContact O-N 2.83Å
229	M	32.4	Very low	29.1	Very low	119 Å²	119	112.1 Å²	112.1	59%	0.586	56%	0.56	S	S	*	*	H	α-helix	trans	-71.4	-30.4	176.3	-70.1	-62.1	-67.1	0	0	112.9	K225 D226 I227 K233	K225-M229 WeakPolarHBondContact O-CB 3.3Å; K225-M229 VanDerWaalsContact O-CG 3.28Å; K225-M229 WeakPolarHBondContact O-CG 3.33Å; K225-M229 PolarHBondContact O-N 3.39Å; D226-M229 PolarHBondContact O-N 2.87Å; I227-M229 PolarHBondContact O-N 3.29Å; M229-K233 WeakPolarHBondContact O-CB 3.5Å; M229-K233 PolarHBondContact O-N 2.89Å
230	N	29.9	Very low	29	Very low	69 Å²	69	113.5 Å²	113.5	37%	0.369	57%	0.567	S	S	.	*	H	α-helix	trans	-75.8	-37.6	172.8	-76.3	-25.6	0	0	0	112.1	D226 I227 L232 K233 Y234	D226-N230 VanDerWaalsContact O-CB 3.28Å; D226-N230 WeakPolarHBondContact O-CB 3.4Å; D226-N230 VanDerWaalsContact O-CG 3.26Å; D226-N230 PolarHBondContact O-N 3.29Å; D226-N230 PolarHBondContact O-ND2 2.91Å; I227-N230 PolarHBondContact O-N 3.36Å; N230-L232 VanDerWaalsContact C-N 3.29Å; N230-L232 PolarHBondContact O-N 3.42Å; N230-K233 WeakPolarHBondContact O-CA 3.43Å; N230-K233 WeakPolarHBondContact O-CB 3.42Å; N230-K233 PolarHBondContact O-N 3.08Å; N230-Y234 HydrophobicContact CB-CD2 4.29Å; N230-Y234 HydrophobicContact CB-CE2 4.18Å; N230-Y234 VanDerWaalsContact O-CD2 3.26Å; N230-Y234 WeakPolarHBondContact O-CD2 3.07Å; N230-Y234 PolarHBondContact O-N 2.98Å
231	I	29.4	Very low	28.9	Very low	106 Å²	106	112.3 Å²	112.3	54%	0.544	57%	0.569	S	S	.	*	H	α-helix	trans	-55.8	-45.6	171.9	-73.6	164.8	0	0	0	110.4	I227 F228 K233 S235	I227-I231 HydrophobicContact CG2-CD1 3.77Å; I227-I231 HydrophobicContact CG2-CG1 4.48Å; I227-I231 WeakPolarHBondContact O-CB 3.35Å; I227-I231 VanDerWaalsContact O-CG1 3.26Å; I227-I231 WeakPolarHBondContact O-CG1 3.44Å; I227-I231 PolarHBondContact O-N 2.9Å; F228-I231 PolarHBondContact O-N 3.38Å; I231-K233 PolarHBondContact O-N 3.27Å; I231-S235 VanDerWaalsContact O-CB 3.27Å; I231-S235 WeakPolarHBondContact O-CB 3.09Å; I231-S235 PolarHBondContact O-N 2.94Å; I231-S235 VanDerWaalsContact O-N 3.11Å; I231-S235 PolarHBondContact O-OG 3.02Å
232	L	29.9	Very low	28.6	Very low	104 Å²	104	114 Å²	114	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-67.7	-10.6	174.6	-73.1	168.5	0	0	0	114.8	F228 N230 S235	F228-L232 HydrophobicContact CD1-CD1 3.95Å; F228-L232 HydrophobicContact CE1-CD1 3.97Å; F228-L232 PolarHBondContact O-N 2.83Å; N230-L232 VanDerWaalsContact C-N 3.29Å; N230-L232 PolarHBondContact O-N 3.42Å; L232-S235 PolarHBondContact O-OG 2.83Å
233	K	28.7	Very low	28.2	Very low	140 Å²	140	114.1 Å²	114.1	61%	0.609	58%	0.582	S	S	*	*	H	α-helix	trans	-104.1	-27.1	-174.9	-160.6	174	-164.8	165.9	0	112.9	M229 N230 I231	M229-K233 WeakPolarHBondContact O-CB 3.5Å; M229-K233 PolarHBondContact O-N 2.89Å; N230-K233 WeakPolarHBondContact O-CA 3.43Å; N230-K233 WeakPolarHBondContact O-CB 3.42Å; N230-K233 PolarHBondContact O-N 3.08Å; I231-K233 PolarHBondContact O-N 3.27Å
234	Y	30.2	Very low	28	Very low	102 Å²	102	112.3 Å²	112.3	40%	0.4	59%	0.586	S	S	.	*	H	α-helix	trans	-99.3	-8.9	174	-61.7	-61.2	0	0	0	113.1	N230 T236 E604 N608	N230-Y234 HydrophobicContact CB-CD2 4.29Å; N230-Y234 HydrophobicContact CB-CE2 4.18Å; N230-Y234 VanDerWaalsContact O-CD2 3.26Å; N230-Y234 WeakPolarHBondContact O-CD2 3.07Å; N230-Y234 PolarHBondContact O-N 2.98Å; Y234-T236 PolarHBondContact O-N 3.26Å; Y234-E604 WeakPolarHBondContact CE1-OE2 3.31Å; Y234-N608 PolarHBondContact OH-ND2 2.91Å
235	S	24.3	Very low	27.5	Very low	77 Å²	77	112.9 Å²	112.9	54%	0.538	60%	0.598	S	S	.	*			trans	-71.2	42.5	170.6	67.2	0	0	0	0	114.1	I231 L232	I231-S235 VanDerWaalsContact O-CB 3.27Å; I231-S235 WeakPolarHBondContact O-CB 3.09Å; I231-S235 PolarHBondContact O-N 2.94Å; I231-S235 VanDerWaalsContact O-N 3.11Å; I231-S235 PolarHBondContact O-OG 3.02Å; L232-S235 PolarHBondContact O-OG 2.83Å
236	T	25.3	Very low	27.2	Very low	88 Å²	88	110.7 Å²	110.7	54%	0.54	60%	0.6	S	S	.	*			trans	-116.6	63.5	178.3	62	0	0	0	0	111.4	Y234 P238	Y234-T236 PolarHBondContact O-N 3.26Å; T236-P238 VanDerWaalsContact O-CD 3.27Å; T236-P238 WeakPolarHBondContact O-CD 3.25Å
237	Y	23.2	Very low	26.9	Very low	163 Å²	163	112.5 Å²	112.5	64%	0.639	61%	0.609	S	S	*	*			trans	-66.5	121	164.8	-102.1	-89.3	0	0	0	109.7	S239	Y237-S239 PolarHBondContact O-N 3.45Å
238	P	24.1	Very low	26.6	Very low	126 Å²	126	118.2 Å²	118.2	82%	0.818	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	63.1	176.7	-12.9	30.8	0	0	0	111.2	T236	T236-P238 VanDerWaalsContact O-CD 3.27Å; T236-P238 WeakPolarHBondContact O-CD 3.25Å
239	S	25.7	Very low	26.3	Very low	99 Å²	99	117.2 Å²	117.2	69%	0.692	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.6	-14.5	-175.6	-49	0	0	0	0	114.3	Y237	Y237-S239 PolarHBondContact O-N 3.45Å
240	L	26.3	Very low	25.9	Very low	130 Å²	130	118.2 Å²	118.2	68%	0.681	64%	0.644	S	S	*	*	S	Bend	trans	-128.6	-1.1	-172.7	-89.2	159	0	0	0	114.9	N242	L240-N242 VanDerWaalsContact C-N 3.35Å
241	I	25.4	Very low	25.7	Very low	122 Å²	122	122.9 Å²	122.9	63%	0.626	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-15.8	-176.3	-67.9	174.5	0	0	0	112.7	S243	I241-S243 VanDerWaalsContact C-N 3.33Å; I241-S243 PolarHBondContact O-N 2.98Å
242	N	24.5	Very low	25.5	Very low	138 Å²	138	124.3 Å²	124.3	74%	0.738	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	31.2	-178.8	-108	47.3	0	0	0	114.8	L240	L240-N242 VanDerWaalsContact C-N 3.35Å
243	S	24.6	Very low	25.3	Very low	75 Å²	75	124.9 Å²	124.9	52%	0.524	69%	0.685	S	S	.	*	S	Bend	trans	-162.7	146.5	157.2	47.6	0	0	0	0	110.9	I241	I241-S243 VanDerWaalsContact C-N 3.33Å; I241-S243 PolarHBondContact O-N 2.98Å
244	N	24.8	Very low	25	Very low	139 Å²	139	127 Å²	127	74%	0.743	69%	0.694	S	S	*	*			trans	86.3	24.8	-177.9	-49.4	-50.6	0	0	0	118.4	S246	N244-S246 PolarHBondContact O-N 3.12Å
245	S	22.5	Very low	24.8	Very low	115 Å²	115	128.3 Å²	128.3	80%	0.804	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	60	168.9	44.2	0	0	0	0	113.7
246	S	25.7	Very low	24.9	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.9	-7.1	179	59.7	0	0	0	0	118.3	N244	N244-S246 PolarHBondContact O-N 3.12Å
247	L	25.9	Very low	24.7	Very low	137 Å²	137	134.1 Å²	134.1	72%	0.717	74%	0.735	S	S	*	*	S	Bend	trans	-108	-4.1	-167	-85.5	169	0	0	0	117.6
248	F	25.2	Very low	24.9	Very low	202 Å²	202	133.3 Å²	133.3	89%	0.886	75%	0.747	S	S	*	*			trans	-130.3	52.4	177.1	-79.1	-76.2	0	0	0	113.4
249	T	24.4	Very low	24.9	Very low	120 Å²	120	132.2 Å²	132.2	74%	0.736	73%	0.733	S	S	*	*			trans	-111.6	55.6	166.3	46.8	0	0	0	0	111.3
250	N	24.2	Very low	25	Very low	140 Å²	140	135.6 Å²	135.6	75%	0.749	74%	0.743	S	S	*	*			trans	-160.2	158.1	169.1	-95.6	-51.7	0	0	0	109.9
251	L	26.4	Very low	24.8	Very low	167 Å²	167	135.4 Å²	135.4	87%	0.874	74%	0.743	S	S	*	*			trans	68.2	72.9	-177.1	-52.2	174.2	0	0	0	113.6
252	N	23.8	Very low	25	Very low	136 Å²	136	135.1 Å²	135.1	73%	0.727	75%	0.749	S	S	*	*				68.5	108.9	72.8	-74.3	-15.7	0	0	0	117.8
253	T	25.6	Very low	25	Very low	116 Å²	116	135.6 Å²	135.6	71%	0.712	75%	0.751	S	S	*	*			trans	68.5	119.5	131.8	61.3	0	0	0	0	122.9
254	K	22.3	Very low	25.2	Very low	185 Å²	185	140.1 Å²	140.1	80%	0.804	76%	0.764	S	S	*	*			trans	65.2	115.7	137.9	-66	-176.5	178.3	-176.8	0	120.4
255	P	26.9	Very low	25.4	Very low	130 Å²	130	139.6 Å²	139.6	84%	0.844	76%	0.761	S	S	*	*			trans	-75.8	168	136.8	34.9	-32.8	0	0	0	111.2
256	I	25.5	Very low	25.8	Very low	147 Å²	147	139.4 Å²	139.4	75%	0.754	76%	0.755	S	S	*	*			trans	-120.1	139.8	-165.8	-73.8	174.4	0	0	0	112
257	L	22.9	Very low	25.9	Very low	139 Å²	139	142.2 Å²	142.2	73%	0.728	76%	0.763	S	S	*	*			trans	19.7	128.7	156.7	-54.9	168.6	0	0	0	120.5	L259	L257-L259 HydrophobicContact CD2-CD1 3.83Å
258	V	26.3	Very low	26.1	Very low	147 Å²	147	140.9 Å²	140.9	89%	0.891	76%	0.763	S	S	*	*				-136.2	148.2	112.3	-176.4	0	0	0	0	107.5
259	L	24	Very low	26.4	Very low	102 Å²	102	138.2 Å²	138.2	53%	0.534	76%	0.756	S	S	.	*			trans	-93.7	160.3	178.2	-87.4	64.4	0	0	0	111.5	L257	L257-L259 HydrophobicContact CD2-CD1 3.83Å
260	D	27.4	Very low	26.7	Very low	170 Å²	170	139 Å²	139	91%	0.909	76%	0.756	S	S	*	*				-155.9	129.9	120	-94.4	-32.3	0	0	0	108.9
261	D	22.8	Very low	26.9	Very low	126 Å²	126	138.1 Å²	138.1	67%	0.674	75%	0.751	S	S	*	*			trans	-83.9	166.1	-175.1	-67.2	-60.1	0	0	0	112.4
262	P	28.9	Very low	27.2	Very low	117 Å²	117	137.7 Å²	137.7	76%	0.76	74%	0.744	S	S	*	*				-145.2	115.7	94.9	34.1	-16.3	0	0	0	116.3
263	L	26.1	Very low	27.6	Very low	147 Å²	147	135 Å²	135	77%	0.77	74%	0.736	S	S	*	*				64.7	143.2	127.1	-64.3	167.9	0	0	0	122.3
264	Q	28.8	Very low	27.8	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	74%	0.74	S	S	*	*			trans	74.1	135.9	163.1	-65.1	176.6	35	0	0	117.4
265	N	28.2	Very low	28.1	Very low	128 Å²	128	137.3 Å²	137.3	68%	0.684	74%	0.737	S	S	*	*			cis	-164.3	149	-12.6	-130.2	-9	0	0	0	111.8
266	T	30.2	Very low	28.3	Very low	111 Å²	111	136 Å²	136	68%	0.681	72%	0.722	S	S	*	*			trans	59.8	150.1	158.8	61.6	0	0	0	0	119.5
267	N	28.7	Very low	28.4	Very low	150 Å²	150	135.7 Å²	135.7	80%	0.802	72%	0.718	S	S	*	*			cis	-157.4	162.3	-15.8	-100.9	-9.7	0	0	0	109.6
268	P	29.7	Very low	28.8	Very low	108 Å²	108	137.6 Å²	137.6	70%	0.701	72%	0.721	S	S	*	*			trans	-105.7	179	-172.4	41.3	-36.1	0	0	0	115
269	I	31.2	Very low	28.9	Very low	146 Å²	146	136.8 Å²	136.8	75%	0.749	71%	0.711	S	S	*	*			trans	173.2	121.2	141.4	-91.2	153.9	0	0	0	111.7
270	D	30	Very low	29.3	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	72%	0.717	S	S	*	*			trans	33.3	165.5	132.2	-28.1	-39.9	0	0	0	122
271	D	30.1	Very low	29.3	Very low	120 Å²	120	137.2 Å²	137.2	64%	0.642	71%	0.714	S	S	*	*			cis	-163.6	167.1	2.6	-151.1	-11	0	0	0	113
272	H	32	Very low	29.7	Very low	159 Å²	159	135 Å²	135	74%	0.736	72%	0.721	S	S	*	*			trans	57	165.9	145.5	-83.7	17	0	0	0	120.8
273	S	31.4	Very low	29.5	Very low	79 Å²	79	139.1 Å²	139.1	55%	0.552	73%	0.727	S	S	*	*			cis	-170.6	162.6	-18.1	-110	0	0	0	0	112.3
274	I	30.5	Very low	29.5	Very low	153 Å²	153	143.5 Å²	143.5	79%	0.785	73%	0.733	S	S	*	*			trans	70.6	151.4	142.5	-74.3	167.5	0	0	0	119.9
275	R	28.1	Very low	29.3	Very low	196 Å²	196	141.5 Å²	141.5	74%	0.74	73%	0.733	S	S	*	*			cis	177.1	155.1	-20.5	-177	174.7	172.1	176.7	1.6	112.5
276	N	30.7	Very low	29.2	Very low	102 Å²	102	143 Å²	143	55%	0.545	74%	0.739	S	S	.	*			trans	67.2	165.7	156.5	-87.7	22.8	0	0	0	120.3
277	Q	28.6	Very low	29	Very low	142 Å²	142	143.9 Å²	143.9	66%	0.664	74%	0.744	S	S	*	*			cis	-174.9	178.3	-39.9	-113.1	178.5	-6.9	0	0	110.6
278	F	30.5	Very low	28.8	Very low	179 Å²	179	141.5 Å²	141.5	79%	0.785	74%	0.739	S	S	*	*			trans	80	155.5	165.6	-55.8	-81.9	0	0	0	119.8
279	N	28.7	Very low	28.8	Very low	130 Å²	130	141.4 Å²	141.4	70%	0.695	74%	0.738	S	S	*	*			cis	-167.9	172.5	-44.4	-145.8	-5.6	0	0	0	113
280	N	33.2	Very low	28.5	Very low	120 Å²	120	142.2 Å²	142.2	64%	0.642	74%	0.739	S	S	*	*			trans	77.2	102.1	153	-66.1	-22.7	0	0	0	123.9
281	N	27.8	Very low	28.3	Very low	161 Å²	161	142.2 Å²	142.2	86%	0.861	74%	0.739	S	S	*	*				43.2	130.8	115.2	-62.9	-26.8	0	0	0	124
282	G	29.7	Very low	28.2	Very low	80 Å²	80	143.3 Å²	143.3	83%	0.825	75%	0.745	S	S	*	*			trans	-154.1	156.8	160.4	0	0	0	0	0	113.1
283	K	25.6	Very low	28	Very low	202 Å²	202	141.5 Å²	141.5	88%	0.878	75%	0.745	S	S	*	*			trans	-135.7	143.1	-172.3	-63.5	177.6	178.5	177.8	0	114.3
284	R	25.8	Very low	27.8	Very low	239 Å²	239	143.2 Å²	143.2	90%	0.902	75%	0.751	S	S	*	*			trans	159.5	135.5	143.5	-86.3	154.3	-168	-133.4	3.2	108.5
285	V	24.2	Very low	27.6	Very low	129 Å²	129	142.6 Å²	142.6	78%	0.782	75%	0.749	S	S	*	*			cis	91.1	141.9	29.3	-176.9	0	0	0	0	113.1
286	I	25.4	Very low	27.5	Very low	158 Å²	158	139.4 Å²	139.4	81%	0.81	75%	0.746	S	S	*	*			trans	85.7	135.4	-178.9	-52.5	-174.4	0	0	0	114.3
287	V	27.2	Very low	27.1	Very low	131 Å²	131	140.7 Å²	140.7	79%	0.794	75%	0.753	S	S	*	*			cis	-160.3	168.3	-19.9	129.9	0	0	0	0	108.1
288	S	24.2	Very low	27	Very low	100 Å²	100	140 Å²	140	70%	0.699	75%	0.753	S	S	*	*			trans	-128.2	145.1	166.9	172.7	0	0	0	0	111.6
289	P	29.2	Very low	26.8	Very low	105 Å²	105	140.1 Å²	140.1	68%	0.682	76%	0.759	S	S	*	*				-115.4	172.2	115.8	-5.6	26.1	0	0	0	111.4
290	H	24.6	Very low	26.7	Very low	164 Å²	164	139.3 Å²	139.3	76%	0.759	75%	0.753	S	S	*	*			cis	85	150	26.6	-120.5	74.3	0	0	0	115.9
291	D	26.7	Very low	26.2	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	76%	0.761	S	S	*	*			trans	66.4	134.4	-174.7	-44.1	-39.3	0	0	0	113
292	D	28.6	Very low	26.3	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	76%	0.758	S	S	*	*			cis	-128.1	142	33.4	-102.3	-30.4	0	0	0	112.3
293	V	26.6	Very low	26.2	Very low	121 Å²	121	140.2 Å²	140.2	73%	0.733	76%	0.757	S	S	*	*				68.8	123.6	83.7	160.3	0	0	0	0	112.4
294	V	26.8	Very low	26.1	Very low	114 Å²	114	138.2 Å²	138.2	69%	0.691	76%	0.755	S	S	*	*			cis	-157.3	167.1	13.3	106.7	0	0	0	0	114.3
295	L	27.6	Very low	26.2	Very low	140 Å²	140	134 Å²	134	73%	0.733	75%	0.75	S	S	*	*			trans	12.5	132.4	170.9	-80.7	71.9	0	0	0	121
296	L	24.8	Very low	26.2	Very low	129 Å²	129	133.8 Å²	133.8	68%	0.675	74%	0.744	S	S	*	*			cis	82.4	115.6	44.3	-175.9	81.9	0	0	0	114.6
297	N	23.8	Very low	26.3	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	74%	0.738	S	S	*	*			trans	41.3	162.4	149.3	-56.6	-10	0	0	0	122.5
298	N	25.5	Very low	26.2	Very low	127 Å²	127	132.5 Å²	132.5	68%	0.679	73%	0.733	S	S	*	*			trans	81.4	124	174.6	-40.4	-30.9	0	0	0	112.9	I300	N298-I300 HydrophobicContact CB-CD1 4.04Å; N298-I300 VanDerWaalsContact OD1-CD1 3.22Å; N298-I300 WeakPolarHBondContact OD1-CD1 3.28Å
299	M	27.1	Very low	26.2	Very low	182 Å²	182	134.2 Å²	134.2	90%	0.897	73%	0.734	S	S	*	*			cis	-110.3	137.6	9.3	-67.6	155	-88.2	0	0	110.7
300	I	25.6	Very low	26	Very low	114 Å²	114	134.6 Å²	134.6	59%	0.585	74%	0.735	S	S	*	*			cis	82.8	108.1	40.3	-63.7	174.1	0	0	0	113.6	N298	N298-I300 HydrophobicContact CB-CD1 4.04Å; N298-I300 VanDerWaalsContact OD1-CD1 3.22Å; N298-I300 WeakPolarHBondContact OD1-CD1 3.28Å
301	N	24.2	Very low	25.9	Very low	150 Å²	150	132.4 Å²	132.4	80%	0.802	73%	0.733	S	S	*	*			trans	50.5	87	147.6	-55.8	-6.7	0	0	0	121
302	S	28	Very low	25.8	Very low	115 Å²	115	131.7 Å²	131.7	80%	0.804	73%	0.734	S	S	*	*			trans	-166.7	119.3	134.8	58	0	0	0	0	110.5
303	S	28.1	Very low	25.6	Very low	114 Å²	114	129.2 Å²	129.2	80%	0.797	73%	0.728	S	S	*	*			cis	-148.6	145.5	-5.1	-66	0	0	0	0	109.9
304	L	23.9	Very low	25.4	Very low	161 Å²	161	129.3 Å²	129.3	84%	0.843	73%	0.729	S	S	*	*			trans	-71.2	140.6	155.4	-76	81.5	0	0	0	108.5
305	L	27.7	Very low	25.3	Very low	150 Å²	150	130.7 Å²	130.7	79%	0.785	73%	0.732	S	S	*	*			trans	172	112.7	131.4	-86.8	159.5	0	0	0	105.4
306	N	25.3	Very low	25.2	Very low	125 Å²	125	130.5 Å²	130.5	67%	0.668	73%	0.732	S	S	*	*				78.1	149.2	59.4	-169.5	27	0	0	0	112.4
307	I	27.5	Very low	25.2	Very low	133 Å²	133	129.5 Å²	129.5	68%	0.682	73%	0.731	S	S	*	*			trans	71.8	99.8	179.2	-48.2	169.6	0	0	0	111.7
308	N	24.1	Very low	25.4	Very low	128 Å²	128	129.6 Å²	129.6	68%	0.684	73%	0.732	S	S	*	*				75.4	134.8	62.2	-68	-10.6	0	0	0	115.3
309	N	25	Very low	25.3	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	74%	0.74	S	S	*	*			trans	79.5	126	143	-69.1	4.2	0	0	0	122
310	T	24.6	Very low	25.4	Very low	113 Å²	113	130.6 Å²	130.6	69%	0.693	74%	0.74	S	S	*	*			trans	76.5	115	131	55.6	0	0	0	0	121.7
311	T	23.1	Very low	25.4	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.724	75%	0.75	S	S	*	*				80.7	137.2	127	55.7	0	0	0	0	122.4
312	T	23.8	Very low	25.9	Very low	123 Å²	123	130.4 Å²	130.4	76%	0.755	75%	0.746	S	S	*	*			trans	80.1	129.3	142.1	41.7	0	0	0	0	122.1
313	S	23.8	Very low	25.6	Very low	92 Å²	92	132.4 Å²	132.4	64%	0.643	75%	0.747	S	S	*	*			trans	79	102.5	133.6	62.9	0	0	0	0	122.3
314	T	23	Very low	25.5	Very low	122 Å²	122	133.8 Å²	133.8	75%	0.748	75%	0.745	S	S	*	*				79.9	155.3	121.5	60.9	0	0	0	0	121.9
315	L	25.8	Very low	25.7	Very low	144 Å²	144	132.6 Å²	132.6	75%	0.754	75%	0.745	S	S	*	*			trans	75.3	119.8	171.9	-55.6	173.4	0	0	0	114
316	N	24	Very low	25.6	Very low	136 Å²	136	131.6 Å²	131.6	73%	0.727	74%	0.744	S	S	*	*				67.1	134.6	62.7	-67.5	-1.9	0	0	0	111.9
317	T	24.4	Very low	25.6	Very low	108 Å²	108	134.7 Å²	134.7	66%	0.663	75%	0.752	S	S	*	*			cis	-163.1	-161.5	-5.2	23.5	0	0	0	0	106.2
318	N	28.3	Very low	25.5	Very low	131 Å²	131	136.1 Å²	136.1	70%	0.701	76%	0.76	S	S	*	*			trans	82.3	102.7	164.6	-46.4	1.6	0	0	0	112.6
319	E	24.9	Very low	25.7	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	76%	0.763	S	S	*	*				78.8	112.8	82.8	-79	-171.6	150.7	0	0	113.9
320	V	28.7	Very low	25.7	Very low	148 Å²	148	137.6 Å²	137.6	90%	0.897	77%	0.767	S	S	*	*				-173.1	145.3	123.8	144.3	0	0	0	0	107.8
321	N	25.2	Very low	25.8	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	77%	0.77	S	S	*	*			trans	-111.9	-176.9	-175.5	-135.9	-14.5	0	0	0	110.2
322	P	34	Very low	25.9	Very low	111 Å²	111	142.9 Å²	142.9	72%	0.721	78%	0.777	S	S	*	*				-115.4	-168.2	-118.8	41.1	-27.4	0	0	0	114.7
323	L	23.4	Very low	26.1	Very low	157 Å²	157	142.6 Å²	142.6	82%	0.822	78%	0.775	S	S	*	*			trans	97.9	149.7	171.4	-147.2	73.5	0	0	0	115.3
324	N	25.7	Very low	26.2	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	77%	0.774	S	S	*	*			trans	69.5	92	179.6	-59.3	-24.4	0	0	0	118.1
325	T	27.6	Very low	26.3	Very low	137 Å²	137	144.2 Å²	144.2	84%	0.84	77%	0.774	S	S	*	*				-150.7	130.4	126.3	-20.2	0	0	0	0	111.7
326	V	25.7	Very low	26.4	Very low	128 Å²	128	143.3 Å²	143.3	78%	0.776	77%	0.769	S	S	*	*			trans	-122.2	133.5	168.6	166	0	0	0	0	106.7
327	K	25.1	Very low	26.4	Very low	191 Å²	191	141.6 Å²	141.6	83%	0.83	77%	0.768	S	S	*	*			trans	54.4	105.9	172	-68.3	175.4	176.6	-176.2	0	117.1
328	L	25.9	Very low	26.6	Very low	162 Å²	162	143.3 Å²	143.3	85%	0.848	77%	0.772	S	S	*	*			trans	-168.5	145.2	143.4	-96.8	147.6	0	0	0	104.6
329	I	27.4	Very low	26.4	Very low	144 Å²	144	143.5 Å²	143.5	74%	0.738	77%	0.773	S	S	*	*			cis	-127.4	130.5	16.2	-67	176.9	0	0	0	110.3
330	N	26.2	Very low	26.3	Very low	152 Å²	152	140 Å²	140	81%	0.813	77%	0.769	S	S	*	*			trans	-76.3	139.3	154.8	-83.1	0.3	0	0	0	108.1
331	N	26.4	Very low	26.1	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	76%	0.758	S	S	*	*			trans	-174.8	110.5	141.2	-96.5	-17.7	0	0	0	110.9
332	F	25.6	Very low	26	Very low	198 Å²	198	136.9 Å²	136.9	87%	0.868	76%	0.759	S	S	*	*	S	Bend		-169.9	116.5	114.9	-106.5	-74.1	0	0	0	108.9
333	V	27.7	Very low	25.5	Very low	116 Å²	116	136.5 Å²	136.5	70%	0.703	76%	0.76	S	S	*	*			trans	54.2	102.5	146.9	168.4	0	0	0	0	116.7
334	S	24.7	Very low	25.5	Very low	89 Å²	89	135.3 Å²	135.3	62%	0.622	76%	0.759	S	S	*	*				53.8	130.4	75.9	74.6	0	0	0	0	112.6
335	E	26.8	Very low	25.4	Very low	160 Å²	160	137.2 Å²	137.2	75%	0.748	76%	0.763	S	S	*	*			cis	-162.8	175.6	23.9	-129	165.6	-144.5	0	0	110.9
336	N	27	Very low	25.2	Very low	124 Å²	124	139.2 Å²	139.2	66%	0.663	76%	0.763	S	S	*	*			trans	24.2	109.5	145.7	-55.4	-22.6	0	0	0	118.8
337	S	23.4	Very low	25.1	Very low	100 Å²	100	141.9 Å²	141.9	70%	0.699	76%	0.764	S	S	*	*				76.6	157.1	70.5	76.9	0	0	0	0	115.7
338	I	28.6	Very low	25	Very low	144 Å²	144	141.8 Å²	141.8	74%	0.738	77%	0.766	S	S	*	*			trans	91.7	90.4	174.8	-51.3	166.9	0	0	0	116.7
339	D	23.8	Very low	24.8	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	76%	0.759	S	S	*	*				51.3	112	121	-47.3	-25.7	0	0	0	123.7
340	S	23.2	Very low	24.6	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	77%	0.768	S	S	*	*				80.9	170.5	124.1	81.9	0	0	0	0	121.5
341	S	24.9	Very low	24.5	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	76%	0.763	S	S	*	*			trans	66.2	99.1	177.4	68	0	0	0	0	116
342	T	23.1	Very low	24.3	Very low	132 Å²	132	138.2 Å²	138.2	81%	0.81	77%	0.765	S	S	*	*				90.1	158.9	71.6	53.5	0	0	0	0	114.6
343	S	24.3	Very low	24.2	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	76%	0.76	S	S	*	*			trans	60	108.5	-171.3	47.4	0	0	0	0	115
344	T	23.1	Very low	23.9	Very low	132 Å²	132	139.8 Å²	139.8	81%	0.81	77%	0.766	S	S	*	*				62.3	100.5	64.1	71.1	0	0	0	0	114.7
345	E	23.5	Very low	23.8	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	77%	0.768	S	S	*	*				-164.4	164.9	113.1	-109	-179.1	-157.6	0	0	112
346	Q	23	Very low	23.7	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	77%	0.774	S	S	*	*			trans	-98.8	136.4	-171.8	-60.3	165.5	-35.4	0	0	111.9
347	K	23.5	Very low	23.5	Very low	184 Å²	184	144.2 Å²	144.2	80%	0.8	79%	0.785	S	S	*	*			trans	-170.4	115.4	144.2	-96.5	132.3	-159.4	161.4	0	112.3
348	H	22.5	Very low	23.6	Very low	190 Å²	190	142.1 Å²	142.1	88%	0.88	77%	0.77	S	S	*	*			trans	27.3	103.5	159.7	-58.6	-84.6	0	0	0	119.9
349	S	23	Very low	23.4	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	78%	0.775	S	S	*	*			trans	-124.3	107.6	160.5	58	0	0	0	0	110.5	N351	S349-N351 PolarHBondContact O-N 3.1Å
350	L	23.1	Very low	23.7	Very low	177 Å²	177	140.8 Å²	140.8	93%	0.927	76%	0.762	S	S	*	*			trans	-84	97.2	173.7	-78.5	167.3	0	0	0	109.6	S352	L350-S352 PolarHBondContact O-N 3.12Å
351	N	22.9	Very low	24	Very low	132 Å²	132	139 Å²	139	71%	0.706	74%	0.744	S	S	*	*			trans	-72.1	115.4	-177.4	-74	1.1	0	0	0	112	S349 E353	S349-N351 PolarHBondContact O-N 3.1Å; N351-E353 VanDerWaalsContact C-N 3.33Å; N351-E353 PolarHBondContact O-N 3.31Å; N351-E353 VanDerWaalsContact O-N 3.11Å
352	S	22.7	Very low	24.2	Very low	118 Å²	118	139 Å²	139	83%	0.825	74%	0.742	S	S	*	*			trans	-85.7	63.3	177.8	61.9	0	0	0	0	112.7	L350	L350-S352 PolarHBondContact O-N 3.12Å
353	E	22.6	Very low	24.6	Very low	162 Å²	162	141 Å²	141	76%	0.757	73%	0.734	S	S	*	*			trans	-125	59.8	174.4	-74.8	-160.7	122.2	0	0	112.5	N351 T355	N351-E353 VanDerWaalsContact C-N 3.33Å; N351-E353 PolarHBondContact O-N 3.31Å; N351-E353 VanDerWaalsContact O-N 3.11Å; E353-T355 PolarHBondContact O-N 3.43Å
354	F	22.5	Very low	25.2	Very low	186 Å²	186	137.4 Å²	137.4	82%	0.816	71%	0.707	S	S	*	*			trans	-71.9	77.1	165.4	-97.4	-84.4	0	0	0	110.7	L356	F354-L356 PolarHBondContact O-N 2.87Å
355	T	22.7	Very low	25.9	Very low	111 Å²	111	135.2 Å²	135.2	68%	0.681	69%	0.69	S	S	*	*			trans	-68.7	109	168.2	44.8	0	0	0	0	109	E353 Q357	E353-T355 PolarHBondContact O-N 3.43Å; T355-Q357 PolarHBondContact O-N 3.1Å
356	L	23.3	Very low	26.7	Very low	165 Å²	165	128.8 Å²	128.8	86%	0.864	66%	0.663	S	S	*	*			trans	-67.4	82.1	174.1	-91.5	163.8	0	0	0	109.8	F354 S358	F354-L356 PolarHBondContact O-N 2.87Å; L356-S358 PolarHBondContact O-N 3.1Å
357	Q	23.6	Very low	27.6	Very low	190 Å²	190	122.3 Å²	122.3	89%	0.888	64%	0.636	S	S	*	*			trans	-76	55.2	-179.8	-159.5	172.3	36.7	0	0	111.5	T355	T355-Q357 PolarHBondContact O-N 3.1Å
358	S	25.7	Very low	28.6	Very low	55 Å²	55	114.4 Å²	114.4	39%	0.385	60%	0.601	S	S	.	*			trans	-64.5	148.6	172.3	84.8	0	0	0	0	109.8	L356 W360	L356-S358 PolarHBondContact O-N 3.1Å; S358-W360 PolarHBondContact O-N 3.28Å
359	P	23.7	Very low	29.5	Very low	131 Å²	131	109.7 Å²	109.7	85%	0.851	58%	0.582	S	S	*	*	S	Bend	trans	-71.8	4	-178.1	30.9	-37.3	0	0	0	113.9
360	W	30.5	Very low	30.4	Very low	121 Å²	121	106.9 Å²	106.9	46%	0.458	56%	0.558	S	S	.	*	S	Bend	trans	-82.2	126.3	-175	-57.9	80.3	0	0	0	110.3	S358 Y368 L567	S358-W360 PolarHBondContact O-N 3.28Å; W360-Y368 HydrophobicContact CE3-CE2 4.09Å; W360-Y368 AromaticContact CZ3-CE2 3.84Å; W360-Y368 HydrophobicContact CZ3-CE2 3.84Å; W360-L567 HydrophobicContact CH2-CD1 3.7Å; W360-L567 HydrophobicContact CZ3-CD1 4.08Å
361	N	29.8	Very low	31.3	Very low	72 Å²	72	99.8 Å²	99.8	39%	0.385	52%	0.521	S	S	.	.			trans	-54.9	125.3	167.1	178.1	-15.5	0	0	0	108.4	R363 L364 L365	N361-R363 PolarHBondContact O-N 3.31Å; N361-R363 WeakPolarHBondContact OD1-CB 3.49Å; N361-R363 PolarHBondContact OD1-N 3.13Å; N361-R363 VanDerWaalsContact OD1-N 3.1Å; N361-L364 HydrophobicContact CB-CB 4.39Å; N361-L364 HydrophobicContact CB-CD1 4.19Å; N361-L364 WeakPolarHBondContact O-CA 3.34Å; N361-L364 VanDerWaalsContact O-CB 3.29Å; N361-L364 WeakPolarHBondContact O-CB 3.36Å; N361-L364 PolarHBondContact O-N 3.1Å; N361-L365 PolarHBondContact O-N 3.12Å
362	P	29.5	Very low	32.3	Very low	97 Å²	97	94.6 Å²	94.6	63%	0.63	49%	0.492	S	S	*	.	H	α-helix	trans	-59.2	-26.1	-175.5	21.2	-32.7	0	0	0	112.8	L365 T366	P362-L365 PolarHBondContact O-N 2.92Å; P362-T366 PolarHBondContact O-N 2.85Å; P362-T366 PolarHBondContact O-OG1 3.44Å; P362-T366 VanDerWaalsContact O-OG1 3.13Å
363	R	31.3	Very low	32.9	Very low	174 Å²	174	91.8 Å²	91.8	66%	0.657	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-44.9	171.3	-69.7	-177.1	169	179.8	-3.6	112.5	N361 T366 T367	N361-R363 PolarHBondContact O-N 3.31Å; N361-R363 WeakPolarHBondContact OD1-CB 3.49Å; N361-R363 PolarHBondContact OD1-N 3.13Å; N361-R363 VanDerWaalsContact OD1-N 3.1Å; R363-T366 WeakPolarHBondContact CA-OG1 3.34Å; R363-T366 PolarHBondContact O-N 3.4Å; R363-T366 PolarHBondContact O-OG1 2.99Å; R363-T367 PolarHBondContact O-N 3.46Å; R363-T367 PolarHBondContact O-OG1 3.36Å
364	L	36.9	Very low	33.6	Very low	29 Å²	29	85.6 Å²	85.6	15%	0.152	45%	0.445	C	S	.	.	H	α-helix	trans	-60	-48.1	177.2	-101.3	158.7	0	0	0	110.3	N361 T366 T367 Y368 I548	N361-L364 HydrophobicContact CB-CB 4.39Å; N361-L364 HydrophobicContact CB-CD1 4.19Å; N361-L364 WeakPolarHBondContact O-CA 3.34Å; N361-L364 VanDerWaalsContact O-CB 3.29Å; N361-L364 WeakPolarHBondContact O-CB 3.36Å; N361-L364 PolarHBondContact O-N 3.1Å; L364-T366 VanDerWaalsContact C-N 3.35Å; L364-T366 PolarHBondContact O-N 2.97Å; L364-T367 PolarHBondContact O-N 3.38Å; L364-Y368 HydrophobicContact CB-CD2 4.47Å; L364-Y368 HydrophobicContact CB-CE2 4.12Å; L364-Y368 HydrophobicContact CD2-CD2 4.28Å; L364-Y368 HydrophobicContact CD2-CE1 4.2Å; L364-Y368 HydrophobicContact CD2-CE2 3.39Å; L364-Y368 VanDerWaalsContact CD2-OH 3.31Å; L364-Y368 WeakPolarHBondContact CD2-OH 3.27Å; L364-Y368 HydrophobicContact CG-CE2 4.38Å; L364-Y368 WeakPolarHBondContact O-CD2 3.34Å; L364-Y368 VanDerWaalsContact O-CG 3.29Å; L364-Y368 PolarHBondContact O-N 2.96Å; L364-I548 HydrophobicContact CD1-CG2 3.71Å; L364-I548 HydrophobicContact CD2-CG1 4.4Å; L364-I548 HydrophobicContact CD2-CG2 3.84Å; L364-I548 HydrophobicContact CG-CG2 3.85Å
365	L	38.3	Very low	34.2	Very low	85 Å²	85	78.8 Å²	78.8	45%	0.445	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-41.3	178.1	-174.9	61.9	0	0	0	112.1	N361 P362 Y368 L369	N361-L365 PolarHBondContact O-N 3.12Å; P362-L365 PolarHBondContact O-N 2.92Å; L365-Y368 PolarHBondContact O-N 3.38Å; L365-L369 HydrophobicContact CD1-CD1 4.35Å; L365-L369 HydrophobicContact CD1-CG 4.37Å; L365-L369 HydrophobicContact CG-CD1 4.05Å; L365-L369 HydrophobicContact CG-CG 4.5Å; L365-L369 WeakPolarHBondContact O-CB 3.22Å; L365-L369 VanDerWaalsContact O-CG 3.28Å; L365-L369 WeakPolarHBondContact O-CG 3.24Å; L365-L369 PolarHBondContact O-N 2.78Å
366	T	40.4	Very low	35	Very low	48 Å²	48	76 Å²	76	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-65.6	-39.9	173.9	47.5	0	0	0	0	112.9	P362 R363 L364 L369 Q370	P362-T366 PolarHBondContact O-N 2.85Å; P362-T366 PolarHBondContact O-OG1 3.44Å; P362-T366 VanDerWaalsContact O-OG1 3.13Å; R363-T366 WeakPolarHBondContact CA-OG1 3.34Å; R363-T366 PolarHBondContact O-N 3.4Å; R363-T366 PolarHBondContact O-OG1 2.99Å; L364-T366 VanDerWaalsContact C-N 3.35Å; L364-T366 PolarHBondContact O-N 2.97Å; T366-L369 PolarHBondContact O-N 3.46Å; T366-Q370 WeakPolarHBondContact O-CB 3.45Å; T366-Q370 PolarHBondContact O-N 2.93Å
367	T	41.5	Very low	35.3	Very low	43 Å²	43	70.9 Å²	70.9	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-43	175.6	-56	0	0	0	0	110.9	R363 L364 Q370 I371	R363-T367 PolarHBondContact O-N 3.46Å; R363-T367 PolarHBondContact O-OG1 3.36Å; L364-T367 PolarHBondContact O-N 3.38Å; T367-Q370 PolarHBondContact O-N 3.32Å; T367-I371 HydrophobicContact CG2-CD1 3.92Å; T367-I371 VanDerWaalsContact O-CG1 3.26Å; T367-I371 WeakPolarHBondContact O-CG1 3.14Å; T367-I371 PolarHBondContact O-N 3.39Å
368	Y	43.7	Very low	35.7	Very low	18 Å²	18	64.4 Å²	64.4	7%	0.071	36%	0.36	C	S	.	.	H	α-helix	trans	-66	-45.9	176.6	-63.5	-46.5	0	0	0	112.5	W360 L364 L365 Q370 I371 I372 Y546 L564 L567	W360-Y368 HydrophobicContact CE3-CE2 4.09Å; W360-Y368 AromaticContact CZ3-CE2 3.84Å; W360-Y368 HydrophobicContact CZ3-CE2 3.84Å; L364-Y368 HydrophobicContact CB-CD2 4.47Å; L364-Y368 HydrophobicContact CB-CE2 4.12Å; L364-Y368 HydrophobicContact CD2-CD2 4.28Å; L364-Y368 HydrophobicContact CD2-CE1 4.2Å; L364-Y368 HydrophobicContact CD2-CE2 3.39Å; L364-Y368 VanDerWaalsContact CD2-OH 3.31Å; L364-Y368 WeakPolarHBondContact CD2-OH 3.27Å; L364-Y368 HydrophobicContact CG-CE2 4.38Å; L364-Y368 WeakPolarHBondContact O-CD2 3.34Å; L364-Y368 VanDerWaalsContact O-CG 3.29Å; L364-Y368 PolarHBondContact O-N 2.96Å; L365-Y368 PolarHBondContact O-N 3.38Å; Y368-Q370 PolarHBondContact O-N 2.98Å; Y368-I371 HydrophobicContact CD1-CD1 4.48Å; Y368-I371 PolarHBondContact O-N 3.31Å; Y368-I371 VanDerWaalsContact O-N 3.1Å; Y368-I372 VanDerWaalsContact O-CG1 3.25Å; Y368-I372 WeakPolarHBondContact O-CG1 3.26Å; Y368-I372 PolarHBondContact O-N 2.89Å; Y368-Y546 PolarHBondContact OH-OH 3.22Å; Y368-L564 HydrophobicContact CD1-CD1 4.14Å; Y368-L564 HydrophobicContact CE1-CD1 3.85Å; Y368-L567 HydrophobicContact CD1-CD2 3.37Å; Y368-L567 HydrophobicContact CD2-CD2 3.3Å; Y368-L567 HydrophobicContact CE1-CD2 3.55Å; Y368-L567 HydrophobicContact CE2-CD2 3.46Å; Y368-L567 VanDerWaalsContact CE2-CD2 3.46Å; Y368-L567 HydrophobicContact CG-CD2 3.24Å
369	L	41.2	Very low	35.7	Very low	90 Å²	90	68.5 Å²	68.5	47%	0.471	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-35.1	174.6	-71.4	169.4	0	0	0	111.8	L365 T366 I372 S373	L365-L369 HydrophobicContact CD1-CD1 4.35Å; L365-L369 HydrophobicContact CD1-CG 4.37Å; L365-L369 HydrophobicContact CG-CD1 4.05Å; L365-L369 HydrophobicContact CG-CG 4.5Å; L365-L369 WeakPolarHBondContact O-CB 3.22Å; L365-L369 VanDerWaalsContact O-CG 3.28Å; L365-L369 WeakPolarHBondContact O-CG 3.24Å; L365-L369 PolarHBondContact O-N 2.78Å; T366-L369 PolarHBondContact O-N 3.46Å; L369-I372 HydrophobicContact CD2-CD1 4.06Å; L369-S373 WeakPolarHBondContact O-CB 3.49Å; L369-S373 PolarHBondContact O-N 2.94Å
370	Q	41.8	Very low	35.8	Very low	41 Å²	41	68.2 Å²	68.2	19%	0.192	38%	0.376	C	S	.	.	H	α-helix	trans	-68.6	-43.3	172.5	-163.3	66.5	50.8	0	0	112.5	T366 T367 Y368 I372 S373 N374 L454	T366-Q370 WeakPolarHBondContact O-CB 3.45Å; T366-Q370 PolarHBondContact O-N 2.93Å; T367-Q370 PolarHBondContact O-N 3.32Å; Y368-Q370 PolarHBondContact O-N 2.98Å; Q370-I372 VanDerWaalsContact C-N 3.34Å; Q370-I372 PolarHBondContact O-N 3.1Å; Q370-S373 PolarHBondContact O-N 2.94Å; Q370-S373 VanDerWaalsContact O-N 3.16Å; Q370-N374 PolarHBondContact NE2-OD1 3.41Å; Q370-N374 WeakPolarHBondContact O-CB 3.5Å; Q370-N374 VanDerWaalsContact O-CG 3.31Å; Q370-N374 PolarHBondContact O-N 3.39Å; Q370-N374 PolarHBondContact O-OD1 3.46Å; Q370-L454 HydrophobicContact CB-CD1 3.76Å; Q370-L454 HydrophobicContact CG-CD1 3.69Å
371	I	43.2	Very low	35.5	Very low	28 Å²	28	67.9 Å²	67.9	14%	0.144	38%	0.383	C	S	.	.	H	α-helix	trans	-60.3	-43.9	176.5	-72.2	165.2	0	0	0	110.5	T367 Y368 N374 L375 I458 L564 I568	T367-I371 HydrophobicContact CG2-CD1 3.92Å; T367-I371 VanDerWaalsContact O-CG1 3.26Å; T367-I371 WeakPolarHBondContact O-CG1 3.14Å; T367-I371 PolarHBondContact O-N 3.39Å; Y368-I371 HydrophobicContact CD1-CD1 4.48Å; Y368-I371 PolarHBondContact O-N 3.31Å; Y368-I371 VanDerWaalsContact O-N 3.1Å; I371-N374 PolarHBondContact O-N 2.74Å; I371-L375 HydrophobicContact CG2-CD1 3.73Å; I371-L375 HydrophobicContact CG2-CG 4.37Å; I371-L375 VanDerWaalsContact O-CB 3.3Å; I371-L375 WeakPolarHBondContact O-CB 3.45Å; I371-L375 VanDerWaalsContact O-CG 3.23Å; I371-L375 WeakPolarHBondContact O-CG 3.3Å; I371-L375 PolarHBondContact O-N 2.98Å; I371-I458 HydrophobicContact CD1-CD1 3.62Å; I371-I458 HydrophobicContact CG1-CD1 3.97Å; I371-L564 HydrophobicContact CD1-CD1 4.16Å; I371-I568 HydrophobicContact CG2-CD1 4.08Å; I371-I568 HydrophobicContact CG2-CG1 4.21Å
372	I	43	Very low	35.3	Very low	22 Å²	22	71.8 Å²	71.8	11%	0.113	40%	0.403	C	S	.	.	H	α-helix	trans	-56.7	-54.1	170.7	-60.4	163.6	0	0	0	110	Y368 L369 Q370 N374 L375 L376 L571 I577	Y368-I372 VanDerWaalsContact O-CG1 3.25Å; Y368-I372 WeakPolarHBondContact O-CG1 3.26Å; Y368-I372 PolarHBondContact O-N 2.89Å; L369-I372 HydrophobicContact CD2-CD1 4.06Å; Q370-I372 VanDerWaalsContact C-N 3.34Å; Q370-I372 PolarHBondContact O-N 3.1Å; I372-N374 PolarHBondContact O-N 3.14Å; I372-L375 PolarHBondContact O-N 3.05Å; I372-L375 VanDerWaalsContact O-N 3.14Å; I372-L376 HydrophobicContact CG2-CD1 3.39Å; I372-L376 WeakPolarHBondContact O-CD1 2.91Å; I372-L376 PolarHBondContact O-N 3.41Å; I372-L571 HydrophobicContact CD1-CB 3.91Å; I372-L571 HydrophobicContact CD1-CD1 3.6Å; I372-L571 HydrophobicContact CD1-CD2 3.71Å; I372-L571 HydrophobicContact CD1-CG 3.92Å; I372-L571 HydrophobicContact CG1-CB 4.07Å; I372-L571 HydrophobicContact CG1-CD1 3.81Å; I372-L571 HydrophobicContact CG1-CG 4.38Å; I372-I577 HydrophobicContact CG2-CD1 3.96Å
373	S	36.5	Very low	35.1	Very low	59 Å²	59	73.4 Å²	73.4	41%	0.413	41%	0.411	S	S	.	.	H	α-helix	trans	-61	-32.2	-176.3	-167.4	0	0	0	0	112.7	L369 Q370 G377	L369-S373 WeakPolarHBondContact O-CB 3.49Å; L369-S373 PolarHBondContact O-N 2.94Å; Q370-S373 PolarHBondContact O-N 2.94Å; Q370-S373 VanDerWaalsContact O-N 3.16Å; S373-G377 WeakPolarHBondContact O-CA 3.44Å; S373-G377 PolarHBondContact O-N 3.47Å
374	N	35.5	Very low	34.7	Very low	33 Å²	33	72.7 Å²	72.7	18%	0.176	42%	0.421	C	S	.	.	H	α-helix	trans	-80	-36.9	176.7	-68.5	19.4	0	0	0	111.5	Q370 I371 I372 G377 S378 I493 N494	Q370-N374 PolarHBondContact NE2-OD1 3.41Å; Q370-N374 WeakPolarHBondContact O-CB 3.5Å; Q370-N374 VanDerWaalsContact O-CG 3.31Å; Q370-N374 PolarHBondContact O-N 3.39Å; Q370-N374 PolarHBondContact O-OD1 3.46Å; I371-N374 PolarHBondContact O-N 2.74Å; I372-N374 PolarHBondContact O-N 3.14Å; N374-G377 PolarHBondContact O-N 2.99Å; N374-S378 WeakPolarHBondContact O-CB 3.35Å; N374-S378 PolarHBondContact O-N 3.37Å; N374-S378 VanDerWaalsContact O-N 3.11Å; N374-S378 PolarHBondContact O-OG 2.81Å; N374-I493 VanDerWaalsContact ND2-CG2 3.27Å; N374-I493 WeakPolarHBondContact ND2-CG2 3.33Å; N374-N494 PolarHBondContact ND2-OD1 3.34Å
375	L	36.6	Very low	34.3	Very low	42 Å²	42	76.3 Å²	76.3	22%	0.22	44%	0.44	C	S	.	.	H	α-helix	trans	-65.7	-36.1	174.2	-77.8	167.8	0	0	0	112.8	I371 I372 F511 I568	I371-L375 HydrophobicContact CG2-CD1 3.73Å; I371-L375 HydrophobicContact CG2-CG 4.37Å; I371-L375 VanDerWaalsContact O-CB 3.3Å; I371-L375 WeakPolarHBondContact O-CB 3.45Å; I371-L375 VanDerWaalsContact O-CG 3.23Å; I371-L375 WeakPolarHBondContact O-CG 3.3Å; I371-L375 PolarHBondContact O-N 2.98Å; I372-L375 PolarHBondContact O-N 3.05Å; I372-L375 VanDerWaalsContact O-N 3.14Å; L375-F511 HydrophobicContact CD2-CB 4.06Å; L375-F511 HydrophobicContact CD2-CD1 4.01Å; L375-F511 HydrophobicContact CD2-CG 4.14Å; L375-I568 HydrophobicContact CD1-CD1 4.08Å; L375-I568 HydrophobicContact CD1-CG1 4.12Å; L375-I568 HydrophobicContact CD1-CG2 3.94Å
376	L	38.3	Very low	33.8	Very low	52 Å²	52	80 Å²	80	27%	0.272	46%	0.46	S	S	.	.	H	α-helix	trans	-87.3	-23	175.1	-81.7	120.4	0	0	0	113.7	I372 I577 Q580 T581	I372-L376 HydrophobicContact CG2-CD1 3.39Å; I372-L376 WeakPolarHBondContact O-CD1 2.91Å; I372-L376 PolarHBondContact O-N 3.41Å; L376-I577 HydrophobicContact CD1-CG2 3.92Å; L376-I577 HydrophobicContact CD2-CG2 4.31Å; L376-Q580 HydrophobicContact CD2-CB 3.57Å; L376-Q580 HydrophobicContact CD2-CG 4.48Å; L376-T581 HydrophobicContact CD1-CG2 4.4Å; L376-T581 HydrophobicContact CD2-CG2 3.91Å; L376-T581 HydrophobicContact CG-CG2 4.29Å
377	G	30.9	Very low	33.4	Very low	59 Å²	59	83.3 Å²	83.3	61%	0.608	48%	0.476	S	S	*	.	H	α-helix	trans	-96.8	-13.3	-174.5	0	0	0	0	0	116.3	S373 N374	S373-G377 WeakPolarHBondContact O-CA 3.44Å; S373-G377 PolarHBondContact O-N 3.47Å; N374-G377 PolarHBondContact O-N 2.99Å
378	S	32.1	Very low	32.9	Very low	53 Å²	53	86.7 Å²	86.7	37%	0.371	49%	0.489	S	S	.	.			trans	-106.7	74.5	-168.4	-52.1	0	0	0	0	114.2	N374 P380 N494	N374-S378 WeakPolarHBondContact O-CB 3.35Å; N374-S378 PolarHBondContact O-N 3.37Å; N374-S378 VanDerWaalsContact O-N 3.11Å; N374-S378 PolarHBondContact O-OG 2.81Å; S378-P380 WeakPolarHBondContact O-CD 3.28Å; S378-N494 PolarHBondContact OG-ND2 2.79Å
379	N	24.7	Very low	32.1	Very low	142 Å²	142	93.4 Å²	93.4	76%	0.759	52%	0.523	S	S	*	.			trans	-82.1	108.8	150.9	-95.4	-28	0	0	0	107.7	L381	N379-L381 PolarHBondContact O-N 2.84Å
380	P	26	Very low	31.5	Very low	124 Å²	124	93 Å²	93	81%	0.805	53%	0.527	S	S	*	.	S	Bend	trans	-82.3	58.8	-171.7	35.7	-37	0	0	0	111.7	S378	S378-P380 WeakPolarHBondContact O-CD 3.28Å
381	L	24.4	Very low	30.8	Very low	114 Å²	114	95.8 Å²	95.8	60%	0.597	54%	0.543	S	S	*	.	S	Bend	trans	-155	25.2	-166.4	-117.8	161.4	0	0	0	115	N379 N419	N379-L381 PolarHBondContact O-N 2.84Å; L381-N419 WeakPolarHBondContact CD1-ND2 3.39Å
382	L	24.4	Very low	30	Very low	154 Å²	154	100.6 Å²	100.6	81%	0.806	57%	0.569	S	S	*	*	S	Bend	trans	-152.1	27.4	-177	-119.1	160	0	0	0	116.5
383	T	25.5	Very low	29.3	Very low	131 Å²	131	103.5 Å²	103.5	80%	0.804	59%	0.591	S	S	*	*			trans	-137.8	59.4	171.2	61.2	0	0	0	0	112.3
384	N	24.6	Very low	28.9	Very low	160 Å²	160	103.8 Å²	103.8	86%	0.856	59%	0.593	S	S	*	*	S	Bend	trans	-136.9	75	163.6	-114.5	11	0	0	0	107.4
385	D	27.2	Very low	28.4	Very low	104 Å²	104	107.1 Å²	107.1	56%	0.556	61%	0.61	S	S	*	*			trans	173.1	87.5	156.3	-99.7	-19.1	0	0	0	110.3	N387 Q388	D385-N387 PolarHBondContact O-N 3.11Å; D385-Q388 HydrophobicContact CB-CG 4.34Å; D385-Q388 PolarHBondContact O-N 3.37Å; D385-Q388 VanDerWaalsContact O-N 3.17Å
386	D	28.9	Very low	28.1	Very low	162 Å²	162	112.3 Å²	112.3	87%	0.866	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-6.6	171.7	-75.5	-48.7	0	0	0	113.2
387	N	30.8	Very low	27.6	Very low	119 Å²	119	116.5 Å²	116.5	64%	0.636	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-29.3	173.2	-67.3	-49.4	0	0	0	113.5	D385 M389 S390	D385-N387 PolarHBondContact O-N 3.11Å; N387-M389 PolarHBondContact O-N 2.78Å; N387-S390 PolarHBondContact O-N 2.89Å; N387-S390 PolarHBondContact O-OG 3.33Å
388	Q	30.7	Very low	27.4	Very low	113 Å²	113	121.8 Å²	121.8	53%	0.528	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-79.4	-14.9	-172.5	-64.4	-156.5	18.5	0	0	114.9	D385 S390 L391 L392	D385-Q388 HydrophobicContact CB-CG 4.34Å; D385-Q388 PolarHBondContact O-N 3.37Å; D385-Q388 VanDerWaalsContact O-N 3.17Å; Q388-S390 PolarHBondContact O-N 3.16Å; Q388-L391 PolarHBondContact O-N 3.44Å; Q388-L392 PolarHBondContact O-N 2.82Å
389	M	28	Very low	27.1	Very low	159 Å²	159	126.9 Å²	126.9	78%	0.783	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-63.1	-10.3	172.2	-84.5	-68.5	-72.6	0	0	113.9	N387 S393	N387-M389 PolarHBondContact O-N 2.78Å; M389-S393 PolarHBondContact O-OG 2.91Å
390	S	28.5	Very low	27.1	Very low	81 Å²	81	126.8 Å²	126.8	57%	0.566	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-92.7	-12.5	173.1	69.7	0	0	0	0	115	N387 Q388 S393	N387-S390 PolarHBondContact O-N 2.89Å; N387-S390 PolarHBondContact O-OG 3.33Å; Q388-S390 PolarHBondContact O-N 3.16Å; S390-S393 PolarHBondContact O-OG 3.25Å
391	L	27.1	Very low	27.1	Very low	101 Å²	101	126.6 Å²	126.6	53%	0.529	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.5	-22.5	-169.1	-93.4	160.4	0	0	0	114.7	Q388 S394 N395	Q388-L391 PolarHBondContact O-N 3.44Å; L391-S394 PolarHBondContact O-OG 2.94Å; L391-N395 PolarHBondContact O-ND2 2.92Å
392	L	25.9	Very low	27.1	Very low	129 Å²	129	128.4 Å²	128.4	68%	0.675	69%	0.686	S	S	*	*	H	α-helix	trans	-83.2	-18.7	170.9	-74.5	164.9	0	0	0	112.9	Q388 S394	Q388-L392 PolarHBondContact O-N 2.82Å; L392-S394 VanDerWaalsContact C-N 3.33Å
393	S	28.5	Very low	27.2	Very low	83 Å²	83	128.5 Å²	128.5	58%	0.58	69%	0.687	S	S	*	*	H	α-helix	trans	-79.3	-10	175	43.1	0	0	0	0	114.1	M389 S390	M389-S393 PolarHBondContact O-OG 2.91Å; S390-S393 PolarHBondContact O-OG 3.25Å
394	S	27.8	Very low	27.1	Very low	65 Å²	65	131.8 Å²	131.8	46%	0.455	69%	0.69	S	S	.	*	H	α-helix	trans	-107.3	-33	-179.9	50.5	0	0	0	0	114.1	L391 L392 L396	L391-S394 PolarHBondContact O-OG 2.94Å; L392-S394 VanDerWaalsContact C-N 3.33Å; S394-L396 PolarHBondContact O-N 2.81Å
395	N	26.1	Very low	27.2	Very low	102 Å²	102	131 Å²	131	55%	0.545	69%	0.691	S	S	.	*	H	α-helix	trans	-80.8	-10.5	-176.4	-71.7	-60.1	0	0	0	114.8	L391 N397 K398	L391-N395 PolarHBondContact O-ND2 2.92Å; N395-N397 PolarHBondContact O-N 3.19Å; N395-K398 PolarHBondContact O-N 3.49Å
396	L	30.5	Very low	27.1	Very low	151 Å²	151	133.1 Å²	133.1	79%	0.791	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	12.2	173.4	-109.2	169.1	0	0	0	115	S394	S394-L396 PolarHBondContact O-N 2.81Å
397	N	26.8	Very low	26.8	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	2.7	-176.5	-80.8	-65.7	0	0	0	115.1	N395	N395-N397 PolarHBondContact O-N 3.19Å
398	K	26.4	Very low	26.4	Very low	170 Å²	170	134.6 Å²	134.6	74%	0.739	71%	0.705	S	S	*	*	S	Bend	trans	-154.6	131.2	-176.5	-101.8	163.9	-174.4	173.4	0	114.2	N395	N395-K398 PolarHBondContact O-N 3.49Å
399	L	25.4	Very low	26	Very low	160 Å²	160	136.2 Å²	136.2	84%	0.838	72%	0.718	S	S	*	*			trans	61.2	109.2	156.8	-55.5	166	0	0	0	115
400	N	24.7	Very low	25.8	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	72%	0.72	S	S	*	*			cis	70.7	123.5	37.2	-132.7	80.1	0	0	0	114.2
401	D	26.4	Very low	25.6	Very low	121 Å²	121	141.1 Å²	141.1	65%	0.647	73%	0.731	S	S	*	*			trans	74.8	114.6	168.4	-63.8	-58.6	0	0	0	122.7
402	Q	24.2	Very low	25.3	Very low	152 Å²	152	142.8 Å²	142.8	71%	0.71	74%	0.741	S	S	*	*			trans	54.4	121.8	135.9	-51.9	175.3	32	0	0	121.8
403	N	26.7	Very low	25.1	Very low	155 Å²	155	142 Å²	142	83%	0.829	75%	0.746	S	S	*	*				175.1	-176.8	104.9	-95.7	-67.9	0	0	0	114.8
404	K	24.3	Very low	24.9	Very low	200 Å²	200	142.5 Å²	142.5	87%	0.87	75%	0.749	S	S	*	*			trans	-150.2	123.6	-154.2	167.6	-168	175.8	-174.7	0	112.9
405	V	26.7	Very low	24.7	Very low	143 Å²	143	147.9 Å²	147.9	87%	0.867	77%	0.767	S	S	*	*			trans	-145.1	151.5	172	-175	0	0	0	0	110.5
406	N	24	Very low	24.8	Very low	149 Å²	149	150.5 Å²	150.5	80%	0.797	78%	0.776	S	S	*	*			trans	-154	134.1	-177.8	-166.5	27.1	0	0	0	110.3
407	F	23.4	Very low	24.4	Very low	198 Å²	198	150.6 Å²	150.6	87%	0.868	78%	0.776	S	S	*	*			trans	-160.2	159.3	173.8	-109.2	-73.8	0	0	0	113.1
408	T	22.1	Very low	24.3	Very low	114 Å²	114	150.1 Å²	150.1	70%	0.699	78%	0.778	S	S	*	*			trans	-116.8	169.2	-174.3	55.5	0	0	0	0	113.5
409	N	22.9	Very low	24.2	Very low	147 Å²	147	147 Å²	147	79%	0.786	77%	0.769	S	S	*	*			trans	87.4	97.5	170.5	-52.5	-3.2	0	0	0	117.3
410	I	24.4	Very low	24.2	Very low	163 Å²	163	143.2 Å²	143.2	84%	0.836	76%	0.756	S	S	*	*			trans	-160.9	108.8	145.3	-89.3	137	0	0	0	103.1
411	F	22.6	Very low	24.2	Very low	180 Å²	180	142.6 Å²	142.6	79%	0.789	76%	0.757	S	S	*	*				58.4	110.4	83.5	-93.9	-75.6	0	0	0	115.3
412	D	21.4	Very low	24.2	Very low	137 Å²	137	143.5 Å²	143.5	73%	0.733	76%	0.761	S	S	*	*	S	Bend	trans	33.3	133.7	157.9	-59.2	-36.6	0	0	0	122.2
413	S	22.1	Very low	24.4	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	76%	0.756	S	S	*	*			trans	69.2	166.3	171.7	76	0	0	0	0	116.7
414	S	23.7	Very low	24.5	Very low	93 Å²	93	142.8 Å²	142.8	65%	0.65	76%	0.756	S	S	*	*			trans	65.8	146.3	-162.1	81.3	0	0	0	0	113.8
415	E	24.8	Very low	24.6	Very low	177 Å²	177	137.1 Å²	137.1	83%	0.827	74%	0.741	S	S	*	*	S	Bend	cis	63.3	66.8	31.4	-62.3	-158.7	120.9	0	0	115.6
416	Q	26.7	Very low	24.6	Very low	158 Å²	158	139.4 Å²	139.4	74%	0.738	74%	0.74	S	S	*	*			trans	-175.5	-29.9	143.8	-103.8	144.7	78.5	0	0	115.9	V418	Q416-V418 PolarHBondContact O-N 3.37Å
417	I	23.8	Very low	24.8	Very low	152 Å²	152	139.3 Å²	139.3	78%	0.779	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	54.2	-155.5	-36.9	-176.4	0	0	0	115.2
418	V	23.5	Very low	25	Very low	132 Å²	132	136.4 Å²	136.4	80%	0.8	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	-14.6	160.6	-176.1	0	0	0	0	112	Q416 S420	Q416-V418 PolarHBondContact O-N 3.37Å; V418-S420 VanDerWaalsContact C-N 3.34Å; V418-S420 PolarHBondContact O-N 2.88Å
419	N	23.8	Very low	25.3	Very low	103 Å²	103	139.4 Å²	139.4	55%	0.551	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	8.8	-169.8	-78.9	-20.7	0	0	0	116.8	L381	L381-N419 WeakPolarHBondContact CD1-ND2 3.39Å
420	S	26	Very low	25.5	Very low	82 Å²	82	138.6 Å²	138.6	57%	0.573	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	-18.4	-171	60	0	0	0	0	117.3	V418	V418-S420 VanDerWaalsContact C-N 3.34Å; V418-S420 PolarHBondContact O-N 2.88Å
421	V	25.5	Very low	25.7	Very low	125 Å²	125	137.4 Å²	137.4	76%	0.758	73%	0.728	S	S	*	*	S	Bend	trans	-94	-19.4	-161.2	-178.1	0	0	0	0	115
422	I	25.9	Very low	25.9	Very low	141 Å²	141	137.8 Å²	137.8	72%	0.723	73%	0.732	S	S	*	*	S	Bend	trans	-105.2	-15.8	-175.9	-64.5	177	0	0	0	113.2	H424	I422-H424 VanDerWaalsContact C-N 3.34Å; I422-H424 PolarHBondContact O-N 3.27Å
423	N	27.5	Very low	26.3	Very low	114 Å²	114	138.8 Å²	138.8	61%	0.61	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	9.1	-169	-98.2	-8	0	0	0	116.6
424	H	29.2	Very low	26.5	Very low	178 Å²	178	137.3 Å²	137.3	82%	0.824	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	-5.7	-169.6	-117.5	-65.6	0	0	0	117.5	I422	I422-H424 VanDerWaalsContact C-N 3.34Å; I422-H424 PolarHBondContact O-N 3.27Å
425	S	26.2	Very low	26.6	Very low	80 Å²	80	142.6 Å²	142.6	56%	0.559	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-39.9	-174.9	52.1	0	0	0	0	114.9	L427	S425-L427 PolarHBondContact O-N 3.22Å
426	F	26.8	Very low	26.6	Very low	192 Å²	192	142.9 Å²	142.9	84%	0.842	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-8.6	-169	-100.6	-84.7	0	0	0	116.5
427	L	29.3	Very low	26.5	Very low	146 Å²	146	140.1 Å²	140.1	76%	0.764	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-10.8	-174.5	-86	167	0	0	0	115.2	S425	S425-L427 PolarHBondContact O-N 3.22Å
428	N	27.4	Very low	26.6	Very low	138 Å²	138	142.8 Å²	142.8	74%	0.738	76%	0.761	S	S	*	*	S	Bend	trans	-103.3	-10.8	-162.5	-132.5	15.7	0	0	0	116.4
429	E	27.3	Very low	26.7	Very low	177 Å²	177	146.2 Å²	146.2	83%	0.827	77%	0.766	S	S	*	*	S	Bend	trans	-102.3	-3.8	-169.7	-69.7	-164.7	137	0	0	116.4
430	N	27.9	Very low	26.7	Very low	129 Å²	129	146.3 Å²	146.3	69%	0.69	77%	0.767	S	S	*	*	S	Bend	trans	-112.6	13.1	-175	-78.6	-97.8	0	0	0	115
431	I	27.9	Very low	26.7	Very low	139 Å²	139	147.8 Å²	147.8	71%	0.713	77%	0.767	S	S	*	*	S	Bend	trans	-82.2	-16.2	-176.2	-72	174.9	0	0	0	113.6
432	Q	27.8	Very low	26.6	Very low	187 Å²	187	147.3 Å²	147.3	87%	0.874	76%	0.76	S	S	*	*	S	Bend	trans	-95	-3.3	-166.9	-77.8	-170.5	-19.7	0	0	118.1
433	N	29.6	Very low	26.6	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	75%	0.747	S	S	*	*			trans	-113.7	88	-176.4	-82.7	-55.8	0	0	0	113.6	K435	N433-K435 PolarHBondContact O-N 3.11Å; N433-K435 VanDerWaalsContact O-N 3.09Å
434	G	26.1	Very low	26.7	Very low	82 Å²	82	143.4 Å²	143.4	85%	0.845	75%	0.745	S	S	*	*			trans	-74.4	91.6	-172.5	0	0	0	0	0	116
435	K	26.7	Very low	26.5	Very low	203 Å²	203	138.7 Å²	138.7	88%	0.883	73%	0.726	S	S	*	*			trans	-124.5	9.2	163.2	-81.4	-175.2	174.7	177.7	0	114.7	N433 S437	N433-K435 PolarHBondContact O-N 3.11Å; N433-K435 VanDerWaalsContact O-N 3.09Å; K435-S437 PolarHBondContact O-N 2.78Å; K435-S437 VanDerWaalsContact O-N 3.11Å
436	L	23.6	Very low	26.4	Very low	183 Å²	183	137.9 Å²	137.9	96%	0.958	72%	0.72	S	S	*	*			trans	-83.3	73.2	178.4	-91.9	157.4	0	0	0	112.3
437	S	24.3	Very low	26.5	Very low	101 Å²	101	133.4 Å²	133.4	71%	0.706	70%	0.701	S	S	*	*			trans	-157	58.7	177.2	65.2	0	0	0	0	114.6	K435	K435-S437 PolarHBondContact O-N 2.78Å; K435-S437 VanDerWaalsContact O-N 3.11Å
438	K	26.3	Very low	26.4	Very low	207 Å²	207	131 Å²	131	90%	0.9	69%	0.689	S	S	*	*	S	Bend	trans	-165	-17.9	160.5	-116	158	-171.3	177.6	0	118.5
439	F	25.5	Very low	26.3	Very low	205 Å²	205	131.4 Å²	131.4	90%	0.899	69%	0.685	S	S	*	*	S	Bend	trans	-80.1	135.1	172.2	-93.3	-88.9	0	0	0	111.6	L441	F439-L441 PolarHBondContact O-N 2.69Å
440	N	24.6	Very low	26.3	Very low	105 Å²	105	127.7 Å²	127.7	56%	0.561	67%	0.669	S	S	*	*			trans	-87.5	95.6	-154.9	-171.3	-2.8	0	0	0	112.8	N442 S443	N440-N442 PolarHBondContact O-N 3.1Å; N440-N442 WeakPolarHBondContact OD1-CB 3.28Å; N440-N442 PolarHBondContact OD1-N 2.98Å; N440-S443 PolarHBondContact O-N 3.35Å
441	L	25.7	Very low	26.2	Very low	113 Å²	113	122.7 Å²	122.7	59%	0.592	65%	0.646	S	S	*	*	H	α-helix	trans	-52.9	-26	177.4	-100.3	72.1	0	0	0	113.9	F439 S443 I444 N445	F439-L441 PolarHBondContact O-N 2.69Å; L441-S443 VanDerWaalsContact C-N 3.25Å; L441-S443 PolarHBondContact O-N 3.22Å; L441-I444 WeakPolarHBondContact O-CB 3.36Å; L441-I444 PolarHBondContact O-N 3.16Å; L441-I444 VanDerWaalsContact O-N 3.14Å; L441-N445 PolarHBondContact O-N 3.21Å
442	N	23.8	Very low	26.1	Very low	114 Å²	114	123.1 Å²	123.1	61%	0.61	65%	0.645	S	S	*	*	H	α-helix	trans	-66.5	-27.5	-179.9	-65.2	-20.3	0	0	0	112.6	N440 N445 S446	N440-N442 PolarHBondContact O-N 3.1Å; N440-N442 WeakPolarHBondContact OD1-CB 3.28Å; N440-N442 PolarHBondContact OD1-N 2.98Å; N442-N445 PolarHBondContact O-N 3.47Å; N442-S446 PolarHBondContact O-N 2.85Å
443	S	26.3	Very low	26.1	Very low	62 Å²	62	120.3 Å²	120.3	43%	0.434	64%	0.635	S	S	.	*	H	α-helix	trans	-66	-44.9	172	-174.6	0	0	0	0	110.9	N440 L441 N445 S446 H447	N440-S443 PolarHBondContact O-N 3.35Å; L441-S443 VanDerWaalsContact C-N 3.25Å; L441-S443 PolarHBondContact O-N 3.22Å; S443-N445 PolarHBondContact O-N 3.46Å; S443-S446 PolarHBondContact O-N 2.89Å; S443-S446 PolarHBondContact O-OG 3.5Å; S443-H447 PolarHBondContact O-N 2.96Å
444	I	27.9	Very low	26.1	Very low	111 Å²	111	116.6 Å²	116.6	57%	0.569	62%	0.615	S	S	*	*	H	α-helix	trans	-60.9	-45.1	175.6	-57.9	175.2	0	0	0	110.1	L441 S446 H447 L448	L441-I444 WeakPolarHBondContact O-CB 3.36Å; L441-I444 PolarHBondContact O-N 3.16Å; L441-I444 VanDerWaalsContact O-N 3.14Å; I444-S446 VanDerWaalsContact C-N 3.33Å; I444-S446 PolarHBondContact O-N 3.31Å; I444-H447 CarbonylContact O-C 3.49Å; I444-H447 PolarHBondContact O-N 3.33Å; I444-H447 VanDerWaalsContact O-N 3.16Å; I444-L448 WeakPolarHBondContact O-CB 3.44Å; I444-L448 PolarHBondContact O-N 3.47Å
445	N	25.6	Very low	26.5	Very low	79 Å²	79	122.1 Å²	122.1	42%	0.422	62%	0.616	S	S	.	*	H	α-helix	trans	-62.1	-35.8	176.3	-72.8	-22.4	0	0	0	113.2	L441 N442 S443 L448 F449	L441-N445 PolarHBondContact O-N 3.21Å; N442-N445 PolarHBondContact O-N 3.47Å; S443-N445 PolarHBondContact O-N 3.46Å; N445-L448 PolarHBondContact O-N 3.25Å; N445-F449 PolarHBondContact O-N 3.29Å
446	S	24.7	Very low	27.4	Very low	63 Å²	63	119.2 Å²	119.2	44%	0.441	61%	0.609	S	S	.	*	H	α-helix	trans	-67.4	-36.7	174.5	68.9	0	0	0	0	112.6	N442 S443 I444 I450	N442-S446 PolarHBondContact O-N 2.85Å; S443-S446 PolarHBondContact O-N 2.89Å; S443-S446 PolarHBondContact O-OG 3.5Å; I444-S446 VanDerWaalsContact C-N 3.33Å; I444-S446 PolarHBondContact O-N 3.31Å; S446-I450 WeakPolarHBondContact O-CG1 3.39Å; S446-I450 PolarHBondContact O-N 2.85Å
447	H	27.6	Very low	28.7	Very low	98 Å²	98	112.7 Å²	112.7	45%	0.454	58%	0.578	S	S	.	*	H	α-helix	trans	-69.8	-32.9	169.9	-84.2	-84.5	0	0	0	112.7	S443 I444 F449 I450 A451	S443-H447 PolarHBondContact O-N 2.96Å; I444-H447 CarbonylContact O-C 3.49Å; I444-H447 PolarHBondContact O-N 3.33Å; I444-H447 VanDerWaalsContact O-N 3.16Å; H447-F449 VanDerWaalsContact C-N 3.33Å; H447-F449 PolarHBondContact O-N 2.82Å; H447-I450 WeakPolarHBondContact O-CB 3.37Å; H447-I450 PolarHBondContact O-N 3.07Å; H447-I450 VanDerWaalsContact O-N 3.12Å; H447-A451 PolarHBondContact O-N 3.47Å
448	L	27.7	Very low	30.2	Very low	96 Å²	96	110 Å²	110	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-69.2	-28.4	176.8	-156.3	70.8	0	0	0	112.7	I444 N445 A451	I444-L448 WeakPolarHBondContact O-CB 3.44Å; I444-L448 PolarHBondContact O-N 3.47Å; N445-L448 PolarHBondContact O-N 3.25Å; L448-A451 WeakPolarHBondContact O-CB 3.33Å
449	F	24.9	Very low	32	Very low	147 Å²	147	101.5 Å²	101.5	65%	0.645	52%	0.519	S	S	*	.	H	α-helix	trans	-74.2	-29.6	168.4	-101.5	-81	0	0	0	113.1	N445 H447	N445-F449 PolarHBondContact O-N 3.29Å; H447-F449 VanDerWaalsContact C-N 3.33Å; H447-F449 PolarHBondContact O-N 2.82Å
450	I	27.5	Very low	33.9	Very low	99 Å²	99	91.8 Å²	91.8	51%	0.508	48%	0.477	S	S	.	.	H	α-helix	trans	-71.6	-35	173.1	-65.4	166.3	0	0	0	110.6	S446 H447 Q452 N453	S446-I450 WeakPolarHBondContact O-CG1 3.39Å; S446-I450 PolarHBondContact O-N 2.85Å; H447-I450 WeakPolarHBondContact O-CB 3.37Å; H447-I450 PolarHBondContact O-N 3.07Å; H447-I450 VanDerWaalsContact O-N 3.12Å; I450-Q452 PolarHBondContact O-N 3Å; I450-N453 PolarHBondContact O-N 2.95Å
451	A	26	Very low	35.9	Very low	23 Å²	23	90.6 Å²	90.6	19%	0.19	47%	0.465	C	S	.	.	H	α-helix	trans	-52.1	-37	176.2	0	0	0	0	0	113.6	H447 L448 N453 L454	H447-A451 PolarHBondContact O-N 3.47Å; L448-A451 WeakPolarHBondContact O-CB 3.33Å; A451-N453 PolarHBondContact O-N 3.19Å; A451-L454 PolarHBondContact O-N 3.31Å
452	Q	27.1	Very low	37.8	Very low	148 Å²	148	85.5 Å²	85.5	69%	0.692	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-8	179.8	-63.9	-176.5	-7.8	0	0	114.3	I450	I450-Q452 PolarHBondContact O-N 3Å
453	N	26.7	Very low	39.7	Very low	128 Å²	128	85.4 Å²	85.4	68%	0.684	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	3.7	-176.5	-74.6	-78.6	0	0	0	115.1	I450 A451 K455	I450-N453 PolarHBondContact O-N 2.95Å; A451-N453 PolarHBondContact O-N 3.19Å; N453-K455 VanDerWaalsContact C-N 3.28Å; N453-K455 PolarHBondContact O-N 3.05Å
454	L	30.1	Very low	41.2	Very low	82 Å²	82	89.4 Å²	89.4	43%	0.429	45%	0.446	S	S	.	.			trans	-76.3	79.7	173.6	-84.8	166.9	0	0	0	111.6	Q370 A451 L456	Q370-L454 HydrophobicContact CB-CD1 3.76Å; Q370-L454 HydrophobicContact CG-CD1 3.69Å; A451-L454 PolarHBondContact O-N 3.31Å; L454-L456 VanDerWaalsContact C-N 3.3Å; L454-L456 PolarHBondContact O-N 2.85Å
455	K	35	Very low	42.7	Very low	198 Å²	198	86.8 Å²	86.8	86%	0.861	43%	0.431	S	S	*	.			trans	-86.3	13.5	-173.3	-132.1	173.8	-169.9	172	0	114.8	N453	N453-K455 VanDerWaalsContact C-N 3.28Å; N453-K455 PolarHBondContact O-N 3.05Å
456	L	43.7	Very low	44.1	Very low	141 Å²	141	87.5 Å²	87.5	74%	0.738	44%	0.44	S	S	*	.	S	Bend	trans	-131.5	135.5	-171.3	-74	169.8	0	0	0	111.1	L454	L454-L456 VanDerWaalsContact C-N 3.3Å; L454-L456 PolarHBondContact O-N 2.85Å
457	P	51.9	Low	45.5	Very low	47 Å²	47	88.4 Å²	88.4	31%	0.305	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-75.7	160.8	177.9	32.9	-36.7	0	0	0	112.3	L459 I495 F497	P457-L459 PolarHBondContact O-N 2.84Å; P457-I495 WeakPolarHBondContact CB-O 3.5Å; P457-F497 HydrophobicContact CB-CB 4.37Å; P457-F497 HydrophobicContact CB-CD2 3.24Å; P457-F497 HydrophobicContact CB-CE2 3.72Å; P457-F497 HydrophobicContact CB-CG 4.09Å; P457-F497 HydrophobicContact CG-CB 4.22Å; P457-F497 HydrophobicContact CG-CD2 3.38Å; P457-F497 HydrophobicContact CG-CE2 3.75Å; P457-F497 HydrophobicContact CG-CG 3.87Å
458	I	56.7	Low	46.9	Very low	44 Å²	44	85.1 Å²	85.1	23%	0.226	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.1	163.5	-55.1	173.3	0	0	0	107.4	I371 I460 F497	I371-I458 HydrophobicContact CD1-CD1 3.62Å; I371-I458 HydrophobicContact CG1-CD1 3.97Å; I458-I460 HydrophobicContact CG2-CG1 4.3Å; I458-F497 PolarHBondContact O-N 3.01Å
459	L	62.6	Low	48.2	Very low	28 Å²	28	81 Å²	81	15%	0.147	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132	172.8	-84	157.1	0	0	0	110	P457 F497 E499 Y546 E547 W558	P457-L459 PolarHBondContact O-N 2.84Å; L459-F497 CarbonylContact C-O 3.49Å; L459-F497 VanDerWaalsContact CA-O 3.31Å; L459-F497 WeakPolarHBondContact CA-O 3.4Å; L459-F497 HydrophobicContact CD2-CB 3.6Å; L459-F497 HydrophobicContact CG-CB 4.26Å; L459-E499 HydrophobicContact CD2-CB 4.24Å; L459-Y546 CarbonylContact O-C 3.57Å; L459-Y546 VanDerWaalsContact O-CA 3.28Å; L459-Y546 WeakPolarHBondContact O-CA 3.19Å; L459-E547 HydrophobicContact CB-CB 3.99Å; L459-E547 VanDerWaalsContact CD1-OE2 3.25Å; L459-E547 WeakPolarHBondContact CD1-OE2 3.44Å; L459-E547 PolarHBondContact O-N 2.92Å; L459-W558 HydrophobicContact CB-CH2 4.07Å; L459-W558 WeakPolarHBondContact O-CZ3 3.28Å
460	I	66.6	Low	49.3	Very low	2 Å²	2	75 Å²	75	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.2	176	-69.9	-164.7	0	0	0	111.1	I458 M496 F497 F498 E499 F514 F544 E545 F561	I458-I460 HydrophobicContact CG2-CG1 4.3Å; I460-M496 HydrophobicContact CD1-CE 3.33Å; I460-M496 HydrophobicContact CG1-CE 4.28Å; I460-F497 PolarHBondContact N-O 3.07Å; I460-F498 HydrophobicContact CG2-CD1 4.4Å; I460-F498 HydrophobicContact CG2-CE1 4.24Å; I460-F498 VanDerWaalsContact O-CA 3.3Å; I460-F498 WeakPolarHBondContact O-CA 3.27Å; I460-E499 PolarHBondContact O-N 3.4Å; I460-E499 VanDerWaalsContact O-N 3.08Å; I460-F514 HydrophobicContact CD1-CD1 4.47Å; I460-F514 HydrophobicContact CD1-CE1 3.96Å; I460-F514 HydrophobicContact CD1-CE2 4.29Å; I460-F514 HydrophobicContact CD1-CZ 3.86Å; I460-F514 HydrophobicContact CG2-CE2 3.99Å; I460-F514 HydrophobicContact CG2-CZ 3.89Å; I460-F544 HydrophobicContact CG2-CD1 3.9Å; I460-E545 CarbonylContact C-O 3.51Å; I460-E545 VanDerWaalsContact CA-O 3.29Å; I460-E545 WeakPolarHBondContact CA-O 3.37Å; I460-F561 HydrophobicContact CD1-CD2 3.5Å; I460-F561 HydrophobicContact CD1-CE2 3.52Å; I460-F561 HydrophobicContact CD1-CG 4.48Å
461	R	65.8	Low	50.3	Low	79 Å²	79	75.5 Å²	75.5	30%	0.298	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	167.8	171.6	71.3	-175.4	-171.5	174.5	5.2	111.8	F544 E545 W558	R461-F544 WeakPolarHBondContact O-CA 3.31Å; R461-E545 HydrophobicContact CG-CB 4.05Å; R461-E545 IonicContact CZ-OE2 2.74Å; R461-E545 PolarHBondContact N-O 2.65Å; R461-E545 IonicContact NE-OE2 2.76Å; R461-E545 PolarHBondContact NE-OE2 3.02Å; R461-E545 IonicContact NH2-OE2 2.81Å; R461-E545 PolarHBondContact NH2-OE2 3.36Å; R461-E545 PolarHBondContact O-N 2.97Å; R461-W558 HydrophobicContact CB-CH2 4.11Å; R461-W558 HydrophobicContact CB-CZ3 4.06Å; R461-W558 HydrophobicContact CG-CD2 4.2Å; R461-W558 HydrophobicContact CG-CE3 3.73Å; R461-W558 HydrophobicContact CG-CH2 3.98Å; R461-W558 HydrophobicContact CG-CZ2 4.42Å; R461-W558 HydrophobicContact CG-CZ3 3.62Å; R461-W558 VanDerWaalsContact CZ-CD1 3.4Å; R461-W558 VanDerWaalsContact CZ-CG 3.43Å; R461-W558 VanDerWaalsContact NE-CD2 3.35Å
462	L	66.5	Low	51.6	Low	7 Å²	7	76 Å²	76	4%	0.037	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.5	173.4	-129.8	135.5	0	0	0	109.4	N464 Q465 Q469 L539 Q543 F544	L462-N464 PolarHBondContact O-N 3.45Å; L462-Q465 HydrophobicContact CD2-CB 3.94Å; L462-Q465 HydrophobicContact CD2-CG 4.36Å; L462-Q469 HydrophobicContact CB-CB 3.75Å; L462-Q469 HydrophobicContact CB-CG 3.86Å; L462-Q469 HydrophobicContact CD1-CB 4.36Å; L462-Q469 HydrophobicContact CD1-CG 4.45Å; L462-L539 HydrophobicContact CD1-CD2 3.55Å; L462-L539 HydrophobicContact CD2-CD2 3.92Å; L462-L539 HydrophobicContact CG-CD2 4.26Å; L462-Q543 HydrophobicContact CD2-CB 4.07Å; L462-F544 HydrophobicContact CD1-CD1 4.12Å; L462-F544 HydrophobicContact CD1-CE1 3.47Å; L462-F544 VanDerWaalsContact CD1-CE1 3.47Å; L462-F544 HydrophobicContact CD1-CE2 4.45Å; L462-F544 HydrophobicContact CD1-CZ 3.67Å; L462-F544 HydrophobicContact CG-CD1 4.2Å; L462-F544 HydrophobicContact CG-CE1 4.04Å; L462-F544 HydrophobicContact CG-CZ 4.36Å
463	R	62.7	Low	52.8	Low	111 Å²	111	69.2 Å²	69.2	42%	0.419	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	125.7	-176.5	-169.8	176.9	171.4	119.3	-12.8	109.8	Q465 Q543 E545	R463-Q465 PolarHBondContact O-N 2.89Å; R463-Q543 VanDerWaalsContact CB-O 3.3Å; R463-Q543 WeakPolarHBondContact CB-O 3.4Å; R463-Q543 PolarHBondContact N-O 3.05Å; R463-E545 HydrophobicContact CB-CG 4.31Å; R463-E545 WeakPolarHBondContact CD-OE1 3.31Å; R463-E545 IonicContact CZ-OE1 2.7Å; R463-E545 IonicContact NE-OE1 2.6Å; R463-E545 IonicContact NH1-OE1 2.81Å; R463-E545 PolarHBondContact NH1-OE1 2.9Å
464	N	57.2	Low	53.6	Low	147 Å²	147	65.1 Å²	65.1	79%	0.786	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	4.6	175.4	-60.3	-13.8	0	0	0	117.8	L462 P466	L462-N464 PolarHBondContact O-N 3.45Å; N464-P466 WeakPolarHBondContact O-CD 3.44Å
465	Q	59.8	Low	53.8	Low	55 Å²	55	64.6 Å²	64.6	26%	0.257	33%	0.332	S	S	.	.			trans	-127.2	66.4	-176.2	-59.2	-175.9	-0.6	0	0	114.6	L462 R463 T467 I468 Q469	L462-Q465 HydrophobicContact CD2-CB 3.94Å; L462-Q465 HydrophobicContact CD2-CG 4.36Å; R463-Q465 PolarHBondContact O-N 2.89Å; Q465-T467 PolarHBondContact O-N 3.08Å; Q465-I468 HydrophobicContact CB-CB 4.12Å; Q465-I468 HydrophobicContact CG-CD1 4.49Å; Q465-I468 PolarHBondContact O-N 2.99Å; Q465-Q469 PolarHBondContact O-N 3.07Å
466	P	56.4	Low	53.8	Low	94 Å²	94	61.2 Å²	61.2	61%	0.61	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	5.9	178	32.9	-38	0	0	0	114.7	N464 Y500	N464-P466 WeakPolarHBondContact O-CD 3.44Å; P466-Y500 PolarHBondContact O-OH 2.96Å
467	T	53.5	Low	53.1	Low	82 Å²	82	62.7 Å²	62.7	50%	0.503	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-43.5	166.9	46	0	0	0	0	111.3	Q465 A470 Y471	Q465-T467 PolarHBondContact O-N 3.08Å; T467-A470 WeakPolarHBondContact O-CB 3.41Å; T467-A470 PolarHBondContact O-N 3.2Å; T467-Y471 PolarHBondContact O-N 3.38Å; T467-Y471 VanDerWaalsContact O-N 3.1Å
468	I	56.6	Low	51.8	Low	29 Å²	29	67.2 Å²	67.2	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-74.5	-37.6	178.7	-69.7	163.1	0	0	0	110.4	Q465 A470 Y471 F472 I537 L539	Q465-I468 HydrophobicContact CB-CB 4.12Å; Q465-I468 HydrophobicContact CG-CD1 4.49Å; Q465-I468 PolarHBondContact O-N 2.99Å; I468-A470 PolarHBondContact O-N 3.48Å; I468-Y471 CarbonylContact O-C 3.48Å; I468-Y471 WeakPolarHBondContact O-CB 3.4Å; I468-Y471 PolarHBondContact O-N 2.99Å; I468-Y471 VanDerWaalsContact O-N 3.1Å; I468-F472 HydrophobicContact CG2-CD2 4.01Å; I468-F472 HydrophobicContact CG2-CE2 4.1Å; I468-F472 WeakPolarHBondContact O-CD2 3.29Å; I468-F472 PolarHBondContact O-N 3.19Å; I468-I537 HydrophobicContact CD1-CD1 4.32Å; I468-I537 HydrophobicContact CD1-CG2 3.81Å; I468-I537 HydrophobicContact CG1-CD1 4.26Å; I468-I537 HydrophobicContact CG1-CG2 4.44Å; I468-I537 HydrophobicContact CG2-CG2 4.36Å; I468-L539 HydrophobicContact CG2-CD1 4.18Å; I468-L539 HydrophobicContact CG2-CD2 3.95Å; I468-L539 HydrophobicContact CG2-CG 4.47Å
469	Q	53.9	Low	50.5	Low	11 Å²	11	71.2 Å²	71.2	5%	0.051	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-32.4	170.9	-158.9	-168.3	-37.7	0	0	112	L462 Q465 F472 L473 E499 Y500	L462-Q469 HydrophobicContact CB-CB 3.75Å; L462-Q469 HydrophobicContact CB-CG 3.86Å; L462-Q469 HydrophobicContact CD1-CB 4.36Å; L462-Q469 HydrophobicContact CD1-CG 4.45Å; Q465-Q469 PolarHBondContact O-N 3.07Å; Q469-F472 PolarHBondContact O-N 3.08Å; Q469-L473 HydrophobicContact CG-CD1 4.13Å; Q469-L473 WeakPolarHBondContact O-CB 3.48Å; Q469-L473 WeakPolarHBondContact O-CD1 3.31Å; Q469-L473 WeakPolarHBondContact O-CG 3.46Å; Q469-L473 PolarHBondContact O-N 3.44Å; Q469-L473 VanDerWaalsContact O-N 3.13Å; Q469-E499 PolarHBondContact NE2-O 2.98Å; Q469-Y500 HydrophobicContact CB-CE2 3.81Å; Q469-Y500 HydrophobicContact CG-CD2 4.44Å; Q469-Y500 HydrophobicContact CG-CE2 3.66Å
470	A	48.4	Very low	48.7	Very low	19 Å²	19	76.6 Å²	76.6	16%	0.157	40%	0.402	C	S	.	.	H	α-helix	trans	-69.5	-38.2	174.2	0	0	0	0	0	112	T467 I468 L473 G474 L475 Y500	T467-A470 WeakPolarHBondContact O-CB 3.41Å; T467-A470 PolarHBondContact O-N 3.2Å; I468-A470 PolarHBondContact O-N 3.48Å; A470-L473 CarbonylContact O-C 3.51Å; A470-L473 PolarHBondContact O-N 3.28Å; A470-L473 VanDerWaalsContact O-N 3.14Å; A470-G474 PolarHBondContact O-N 3.3Å; A470-L475 HydrophobicContact CB-CB 4.12Å; A470-L475 HydrophobicContact CB-CD1 3.96Å; A470-L475 PolarHBondContact O-N 3.34Å; A470-Y500 WeakPolarHBondContact CA-OH 3.45Å; A470-Y500 HydrophobicContact CB-CE1 4.02Å; A470-Y500 WeakPolarHBondContact CB-OH 3.33Å; A470-Y500 PolarHBondContact N-OH 3.5Å
471	Y	50	Low	46.9	Very low	110 Å²	110	84.5 Å²	84.5	43%	0.431	44%	0.443	S	S	.	.	H	α-helix	trans	-69	-32	174.1	177.9	-100.5	0	0	0	113	T467 I468 L473	T467-Y471 PolarHBondContact O-N 3.38Å; T467-Y471 VanDerWaalsContact O-N 3.1Å; I468-Y471 CarbonylContact O-C 3.48Å; I468-Y471 WeakPolarHBondContact O-CB 3.4Å; I468-Y471 PolarHBondContact O-N 2.99Å; I468-Y471 VanDerWaalsContact O-N 3.1Å; Y471-L473 VanDerWaalsContact C-N 3.27Å
472	F	52.1	Low	45	Very low	34 Å²	34	87.4 Å²	87.4	15%	0.149	46%	0.464	C	S	.	.	H	α-helix	trans	-66.4	-29.5	167.4	-93.9	-98.3	0	0	0	112.7	I468 Q469 L517 K521 L539	I468-F472 HydrophobicContact CG2-CD2 4.01Å; I468-F472 HydrophobicContact CG2-CE2 4.1Å; I468-F472 WeakPolarHBondContact O-CD2 3.29Å; I468-F472 PolarHBondContact O-N 3.19Å; Q469-F472 PolarHBondContact O-N 3.08Å; F472-L517 WeakPolarHBondContact CE1-O 3.44Å; F472-K521 HydrophobicContact CE1-CD 4.35Å; F472-K521 HydrophobicContact CZ-CD 4.22Å; F472-L539 HydrophobicContact CD2-CD2 4.21Å; F472-L539 HydrophobicContact CE2-CD1 3.55Å; F472-L539 HydrophobicContact CE2-CD2 3.49Å; F472-L539 VanDerWaalsContact CE2-CD2 3.49Å; F472-L539 HydrophobicContact CE2-CG 4.16Å; F472-L539 HydrophobicContact CZ-CD1 3.88Å; F472-L539 HydrophobicContact CZ-CD2 3.82Å; F472-L539 HydrophobicContact CZ-CG 4.38Å
473	L	51.9	Low	43.1	Very low	5 Å²	5	94.2 Å²	94.2	3%	0.026	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	21.4	-175.5	-67.3	165	0	0	0	114.2	Q469 A470 Y471 L475 F498 Y500 N506	Q469-L473 HydrophobicContact CG-CD1 4.13Å; Q469-L473 WeakPolarHBondContact O-CB 3.48Å; Q469-L473 WeakPolarHBondContact O-CD1 3.31Å; Q469-L473 WeakPolarHBondContact O-CG 3.46Å; Q469-L473 PolarHBondContact O-N 3.44Å; Q469-L473 VanDerWaalsContact O-N 3.13Å; A470-L473 CarbonylContact O-C 3.51Å; A470-L473 PolarHBondContact O-N 3.28Å; A470-L473 VanDerWaalsContact O-N 3.14Å; Y471-L473 VanDerWaalsContact C-N 3.27Å; L473-L475 VanDerWaalsContact C-N 3.26Å; L473-L475 PolarHBondContact O-N 2.94Å; L473-F498 HydrophobicContact CD1-CB 3.54Å; L473-F498 HydrophobicContact CD1-CD1 4.14Å; L473-F498 HydrophobicContact CD1-CG 3.88Å; L473-F498 HydrophobicContact CD2-CB 3.92Å; L473-F498 HydrophobicContact CD2-CD1 4.36Å; L473-F498 HydrophobicContact CD2-CD2 3.57Å; L473-F498 HydrophobicContact CD2-CE2 4.05Å; L473-F498 HydrophobicContact CD2-CG 3.72Å; L473-F498 HydrophobicContact CG-CB 4.35Å; L473-F498 HydrophobicContact CG-CG 4.28Å; L473-Y500 HydrophobicContact CD1-CD2 3.28Å; L473-Y500 HydrophobicContact CD1-CE2 3.62Å; L473-Y500 HydrophobicContact CD1-CG 4.22Å; L473-N506 HydrophobicContact CD2-CB 3.83Å; L473-N506 PolarHBondContact O-ND2 2.99Å
474	G	43.7	Very low	41.6	Very low	42 Å²	42	96.4 Å²	96.4	43%	0.433	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	18.5	169.8	0	0	0	0	0	115.1	A470 N476	A470-G474 PolarHBondContact O-N 3.3Å; G474-N476 PolarHBondContact O-N 3.13Å; G474-N476 VanDerWaalsContact O-N 3.08Å
475	L	35.4	Very low	40.1	Very low	72 Å²	72	100.7 Å²	100.7	38%	0.377	52%	0.523	S	S	.	.			trans	-79.5	18.6	-177.2	-64.8	177.8	0	0	0	114.2	A470 L473 Y500	A470-L475 HydrophobicContact CB-CB 4.12Å; A470-L475 HydrophobicContact CB-CD1 3.96Å; A470-L475 PolarHBondContact O-N 3.34Å; L473-L475 VanDerWaalsContact C-N 3.26Å; L473-L475 PolarHBondContact O-N 2.94Å; L475-Y500 HydrophobicContact CD1-CD1 3.61Å; L475-Y500 HydrophobicContact CD1-CE1 3.63Å; L475-Y500 HydrophobicContact CD1-CG 4.36Å
476	N	34	Very low	38.4	Very low	127 Å²	127	104.5 Å²	104.5	68%	0.679	55%	0.545	S	S	*	.	S	Bend	trans	-121.7	145.5	165.6	-113	-8.9	0	0	0	109.1	G474	G474-N476 PolarHBondContact O-N 3.13Å; G474-N476 VanDerWaalsContact O-N 3.08Å
477	H	29.1	Very low	37.2	Very low	172 Å²	172	106 Å²	106	80%	0.796	55%	0.547	S	S	*	.	S	Bend	trans	-52.7	143.5	-162.5	-95.4	-89.7	0	0	0	117
478	N	25.3	Very low	36	Very low	141 Å²	141	110 Å²	110	75%	0.754	56%	0.56	S	S	*	*			trans	75.4	56	151.4	-52.7	-8.3	0	0	0	119.2
479	T	29.6	Very low	34.7	Very low	128 Å²	128	117.2 Å²	117.2	79%	0.785	59%	0.593	S	S	*	*			trans	-126.2	98.6	149.2	30.2	0	0	0	0	111.2	L481	T479-L481 PolarHBondContact O-N 2.95Å
480	I	24.1	Very low	33.4	Very low	141 Å²	141	123.2 Å²	123.2	72%	0.723	63%	0.625	S	S	*	*			trans	-84.4	102	171	-61.2	172.7	0	0	0	107.8	N482	I480-N482 HydrophobicContact CG2-CB 4.39Å; I480-N482 VanDerWaalsContact CG2-CG 3.48Å; I480-N482 WeakPolarHBondContact CG2-OD1 3.44Å
481	L	29.1	Very low	32.5	Very low	168 Å²	168	127.9 Å²	127.9	88%	0.88	65%	0.648	S	S	*	*			trans	-92.7	95.1	156.5	-78	172.2	0	0	0	107.8	T479 D483	T479-L481 PolarHBondContact O-N 2.95Å; L481-D483 PolarHBondContact O-N 3.5Å
482	N	24.5	Very low	31.6	Very low	140 Å²	140	128.9 Å²	128.9	75%	0.749	66%	0.66	S	S	*	*			trans	-73.1	98	168.2	-76.6	-31.8	0	0	0	108.5	I480	I480-N482 HydrophobicContact CG2-CB 4.39Å; I480-N482 VanDerWaalsContact CG2-CG 3.48Å; I480-N482 WeakPolarHBondContact CG2-OD1 3.44Å
483	D	26.8	Very low	30.6	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	68%	0.68	S	S	*	*			trans	-163.6	173	149.9	-103.2	-37.7	0	0	0	111.2	L481	L481-D483 PolarHBondContact O-N 3.5Å
484	H	31.1	Very low	29.8	Very low	157 Å²	157	135.6 Å²	135.6	73%	0.727	70%	0.696	S	S	*	*			trans	68.7	33.8	-176.4	-62.5	-67	0	0	0	117.8	N486	H484-N486 PolarHBondContact O-N 3.3Å
485	Y	26	Very low	29.6	Very low	237 Å²	237	135.1 Å²	135.1	93%	0.929	68%	0.683	S	S	*	*			trans	-72.6	62.5	142.7	-95.3	-82.7	0	0	0	110.5
486	N	25.3	Very low	29.9	Very low	135 Å²	135	132.3 Å²	132.3	72%	0.722	67%	0.668	S	S	*	*			trans	-178.9	87.7	163	-96.2	-31.1	0	0	0	111.4	H484	H484-N486 PolarHBondContact O-N 3.3Å
487	L	30.7	Very low	30.5	Very low	125 Å²	125	130.2 Å²	130.2	65%	0.654	65%	0.653	S	S	*	*			trans	-139.6	88.5	161.4	-101.4	168.7	0	0	0	109.1	Q489	L487-Q489 PolarHBondContact O-N 2.85Å
488	Q	28.3	Very low	31.4	Very low	167 Å²	167	123.2 Å²	123.2	78%	0.78	62%	0.621	S	S	*	*			trans	-71.6	108.1	-178.6	-68.5	176.3	-38.4	0	0	111.2	N490	Q488-N490 PolarHBondContact O-N 3.11Å
489	Q	29.4	Very low	32.4	Very low	180 Å²	180	120.3 Å²	120.3	84%	0.841	60%	0.603	S	S	*	*	S	Bend	trans	46.3	-16.5	151.3	-74.4	179.9	-28.3	0	0	122.8	L487	L487-Q489 PolarHBondContact O-N 2.85Å
490	N	27.2	Very low	33	Very low	137 Å²	137	116.3 Å²	116.3	73%	0.733	57%	0.573	S	S	*	*	S	Bend	trans	-103	-10.5	-164.8	-70.2	-7.5	0	0	0	115.3	Q488	Q488-N490 PolarHBondContact O-N 3.11Å
491	N	29.9	Very low	33.5	Very low	117 Å²	117	114.7 Å²	114.7	63%	0.626	57%	0.572	S	S	*	*			trans	-114.7	43.6	-173.8	-85.8	-28.7	0	0	0	114.4	I493	N491-I493 PolarHBondContact O-N 3.31Å; N491-I493 VanDerWaalsContact O-N 3.13Å
492	L	30.3	Very low	33.7	Very low	130 Å²	130	114.8 Å²	114.8	68%	0.681	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-65.8	-8.9	177.3	-76.4	167.9	0	0	0	115.1	I495	L492-I495 HydrophobicContact CD2-CD1 4.41Å
493	I	31.7	Very low	34	Very low	113 Å²	113	111.1 Å²	111.1	58%	0.579	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-81.9	-18.1	-161.4	-67.8	171.5	0	0	0	114.1	N374 N491	N374-I493 VanDerWaalsContact ND2-CG2 3.27Å; N374-I493 WeakPolarHBondContact ND2-CG2 3.33Å; N491-I493 PolarHBondContact O-N 3.31Å; N491-I493 VanDerWaalsContact O-N 3.13Å
494	N	35.2	Very low	34.4	Very low	67 Å²	67	105.5 Å²	105.5	36%	0.358	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-121.6	26.3	-169.2	-77.4	-23.7	0	0	0	114.5	N374 S378 G510	N374-N494 PolarHBondContact ND2-OD1 3.34Å; S378-N494 PolarHBondContact OG-ND2 2.79Å; N494-G510 WeakPolarHBondContact O-CA 3.3Å; N494-G510 PolarHBondContact O-N 3.18Å
495	I	37.8	Very low	34.8	Very low	33 Å²	33	102.8 Å²	102.8	17%	0.169	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.7	-173.1	-45.1	-179.5	0	0	0	111.9	P457 L492 F497 I507	P457-I495 WeakPolarHBondContact CB-O 3.5Å; L492-I495 HydrophobicContact CD2-CD1 4.41Å; I495-F497 HydrophobicContact CB-CD2 4.15Å; I495-F497 HydrophobicContact CB-CE2 3.8Å; I495-F497 HydrophobicContact CD1-CE2 4.41Å; I495-F497 HydrophobicContact CG2-CD2 3.54Å; I495-F497 HydrophobicContact CG2-CE2 3.3Å; I495-F497 HydrophobicContact CG2-CZ 4.25Å; I495-I507 HydrophobicContact CG2-CG2 3.29Å
496	M	42.5	Very low	35.6	Very low	12 Å²	12	95.3 Å²	95.3	6%	0.059	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.8	168.9	-66.8	171	65.2	0	0	108.6	I460 C508 F511 F514	I460-M496 HydrophobicContact CD1-CE 3.33Å; I460-M496 HydrophobicContact CG1-CE 4.28Å; M496-C508 PolarHBondContact N-O 3.32Å; M496-C508 PolarHBondContact O-N 3.07Å; M496-F511 VanDerWaalsContact SD-CA 3.55Å; M496-F511 HydrophobicContact SD-CB 4.24Å; M496-F514 HydrophobicContact CE-CB 3.75Å; M496-F514 HydrophobicContact CE-CD1 3.69Å; M496-F514 HydrophobicContact CE-CD2 4.14Å; M496-F514 HydrophobicContact CE-CE1 4.32Å; M496-F514 HydrophobicContact CE-CG 3.58Å; M496-F514 HydrophobicContact SD-CB 4Å; M496-F514 HydrophobicContact SD-CG 4.48Å
497	F	47.4	Very low	36.7	Very low	83 Å²	83	93.7 Å²	93.7	36%	0.364	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	144.5	178.2	-80.5	-116.1	0	0	0	109.2	P457 I458 L459 I460 I495	P457-F497 HydrophobicContact CB-CB 4.37Å; P457-F497 HydrophobicContact CB-CD2 3.24Å; P457-F497 HydrophobicContact CB-CE2 3.72Å; P457-F497 HydrophobicContact CB-CG 4.09Å; P457-F497 HydrophobicContact CG-CB 4.22Å; P457-F497 HydrophobicContact CG-CD2 3.38Å; P457-F497 HydrophobicContact CG-CE2 3.75Å; P457-F497 HydrophobicContact CG-CG 3.87Å; I458-F497 PolarHBondContact O-N 3.01Å; L459-F497 CarbonylContact C-O 3.49Å; L459-F497 VanDerWaalsContact CA-O 3.31Å; L459-F497 WeakPolarHBondContact CA-O 3.4Å; L459-F497 HydrophobicContact CD2-CB 3.6Å; L459-F497 HydrophobicContact CG-CB 4.26Å; I460-F497 PolarHBondContact N-O 3.07Å; I495-F497 HydrophobicContact CB-CD2 4.15Å; I495-F497 HydrophobicContact CB-CE2 3.8Å; I495-F497 HydrophobicContact CD1-CE2 4.41Å; I495-F497 HydrophobicContact CG2-CD2 3.54Å; I495-F497 HydrophobicContact CG2-CE2 3.3Å; I495-F497 HydrophobicContact CG2-CZ 4.25Å
498	F	48.1	Very low	37.5	Very low	26 Å²	26	88 Å²	88	11%	0.114	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.3	166.2	-71.2	-98.6	0	0	0	109.7	I460 L473 Y500 C508 F514	I460-F498 HydrophobicContact CG2-CD1 4.4Å; I460-F498 HydrophobicContact CG2-CE1 4.24Å; I460-F498 VanDerWaalsContact O-CA 3.3Å; I460-F498 WeakPolarHBondContact O-CA 3.27Å; L473-F498 HydrophobicContact CD1-CB 3.54Å; L473-F498 HydrophobicContact CD1-CD1 4.14Å; L473-F498 HydrophobicContact CD1-CG 3.88Å; L473-F498 HydrophobicContact CD2-CB 3.92Å; L473-F498 HydrophobicContact CD2-CD1 4.36Å; L473-F498 HydrophobicContact CD2-CD2 3.57Å; L473-F498 HydrophobicContact CD2-CE2 4.05Å; L473-F498 HydrophobicContact CD2-CG 3.72Å; L473-F498 HydrophobicContact CG-CB 4.35Å; L473-F498 HydrophobicContact CG-CG 4.28Å; F498-Y500 PolarHBondContact O-N 3.07Å; F498-C508 HydrophobicContact CE2-CB 4.03Å; F498-F514 HydrophobicContact CE1-CD2 4.39Å; F498-F514 AromaticContact CE1-CE2 3.83Å; F498-F514 HydrophobicContact CE1-CE2 3.83Å; F498-F514 HydrophobicContact CE2-CD2 4.34Å; F498-F514 AromaticContact CZ-CD2 3.66Å; F498-F514 HydrophobicContact CZ-CD2 3.66Å; F498-F514 AromaticContact CZ-CE2 3.56Å; F498-F514 HydrophobicContact CZ-CE2 3.56Å
499	E	46	Very low	38.4	Very low	80 Å²	80	83.4 Å²	83.4	37%	0.374	46%	0.458	S	S	.	.			trans	-74.5	114.6	171.2	-170.6	176.4	-128.8	0	0	109.1	L459 I460 Q469 W558	L459-E499 HydrophobicContact CD2-CB 4.24Å; I460-E499 PolarHBondContact O-N 3.4Å; I460-E499 VanDerWaalsContact O-N 3.08Å; Q469-E499 PolarHBondContact NE2-O 2.98Å; E499-W558 HydrophobicContact CB-CH2 4.23Å; E499-W558 HydrophobicContact CB-CZ2 4.4Å; E499-W558 WeakPolarHBondContact OE2-CZ2 3.49Å
500	Y	41.9	Very low	39.2	Very low	43 Å²	43	75.7 Å²	75.7	17%	0.169	43%	0.428	C	S	.	.			trans	-126.6	134.7	170.4	-121.1	-93.5	0	0	0	112.8	P466 Q469 A470 L473 L475 F498 I502 S504	P466-Y500 PolarHBondContact O-OH 2.96Å; Q469-Y500 HydrophobicContact CB-CE2 3.81Å; Q469-Y500 HydrophobicContact CG-CD2 4.44Å; Q469-Y500 HydrophobicContact CG-CE2 3.66Å; A470-Y500 WeakPolarHBondContact CA-OH 3.45Å; A470-Y500 HydrophobicContact CB-CE1 4.02Å; A470-Y500 WeakPolarHBondContact CB-OH 3.33Å; A470-Y500 PolarHBondContact N-OH 3.5Å; L473-Y500 HydrophobicContact CD1-CD2 3.28Å; L473-Y500 HydrophobicContact CD1-CE2 3.62Å; L473-Y500 HydrophobicContact CD1-CG 4.22Å; L475-Y500 HydrophobicContact CD1-CD1 3.61Å; L475-Y500 HydrophobicContact CD1-CE1 3.63Å; L475-Y500 HydrophobicContact CD1-CG 4.36Å; F498-Y500 PolarHBondContact O-N 3.07Å; Y500-I502 VanDerWaalsContact C-N 3.31Å; Y500-I502 PolarHBondContact O-N 2.89Å; Y500-S504 VanDerWaalsContact CB-OG 3.29Å; Y500-S504 WeakPolarHBondContact CB-OG 3.37Å
501	P	34.8	Very low	40.4	Very low	108 Å²	108	70.7 Å²	70.7	70%	0.701	40%	0.399	S	S	*	.	S	Bend	trans	-71.4	89.8	166.3	30.9	-34.3	0	0	0	109.9
502	I	32.9	Very low	41.3	Very low	170 Å²	170	69 Å²	69	87%	0.872	39%	0.39	S	S	*	.	S	Bend	trans	66.9	99	165.2	-47.8	167.5	0	0	0	114.2	Y500	Y500-I502 VanDerWaalsContact C-N 3.31Å; Y500-I502 PolarHBondContact O-N 2.89Å
503	G	30.3	Very low	42.4	Very low	62 Å²	62	67.5 Å²	67.5	64%	0.639	38%	0.38	S	S	*	.			trans	143.5	-23.2	154	0	0	0	0	0	118	S505	G503-S505 PolarHBondContact O-N 2.95Å
504	S	36.2	Very low	43.7	Very low	33 Å²	33	62.2 Å²	62.2	23%	0.231	35%	0.352	C	S	.	.			trans	-80.1	120.7	-176.4	58.2	0	0	0	0	112.6	Y500	Y500-S504 VanDerWaalsContact CB-OG 3.29Å; Y500-S504 WeakPolarHBondContact CB-OG 3.37Å
505	S	38.4	Very low	44.8	Very low	101 Å²	101	59.3 Å²	59.3	71%	0.706	34%	0.337	S	S	*	.			trans	-85.9	-3.8	170.6	49.9	0	0	0	0	114	G503 I507	G503-S505 PolarHBondContact O-N 2.95Å; S505-I507 PolarHBondContact O-N 3.49Å; S505-I507 VanDerWaalsContact O-N 3.17Å
506	N	43.8	Very low	45.6	Very low	79 Å²	79	63.7 Å²	63.7	42%	0.422	36%	0.355	S	S	.	.			trans	-74.2	108.7	-171.8	-72.2	16.8	0	0	0	111.6	L473	L473-N506 HydrophobicContact CD2-CB 3.83Å; L473-N506 PolarHBondContact O-ND2 2.99Å
507	I	47.8	Very low	46.2	Very low	102 Å²	102	66.7 Å²	66.7	52%	0.523	37%	0.371	S	S	.	.			trans	-98.5	131.1	176.2	-65.2	168.5	0	0	0	108.3	I495 S505	I495-I507 HydrophobicContact CG2-CG2 3.29Å; S505-I507 PolarHBondContact O-N 3.49Å; S505-I507 VanDerWaalsContact O-N 3.17Å
508	C	48.5	Very low	46.7	Very low	4 Å²	4	63 Å²	63	3%	0.027	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.4	174	-167	0	0	0	0	110.6	M496 F498 G510 F514	M496-C508 PolarHBondContact N-O 3.32Å; M496-C508 PolarHBondContact O-N 3.07Å; F498-C508 HydrophobicContact CE2-CB 4.03Å; C508-G510 PolarHBondContact O-N 3.27Å; C508-F514 PolarHBondContact SG-N 3.35Å; C508-F514 VanDerWaalsContact SG-N 3.38Å
509	T	46.9	Very low	47	Very low	71 Å²	71	63.3 Å²	63.3	44%	0.436	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	98.9	-179.7	38.5	0	0	0	0	111.1	Q513	T509-Q513 WeakPolarHBondContact O-CB 3.33Å; T509-Q513 PolarHBondContact O-OE1 3.45Å; T509-Q513 PolarHBondContact OG1-OE1 2.82Å
510	G	46.3	Very low	47.1	Very low	19 Å²	19	63.8 Å²	63.8	20%	0.196	37%	0.366	C	S	.	.	S	Bend	trans	85.6	150.5	171.9	0	0	0	0	0	115.7	N494 C508 N512 Q513 F514	N494-G510 WeakPolarHBondContact O-CA 3.3Å; N494-G510 PolarHBondContact O-N 3.18Å; C508-G510 PolarHBondContact O-N 3.27Å; G510-N512 VanDerWaalsContact C-N 3.28Å; G510-N512 PolarHBondContact O-N 2.7Å; G510-Q513 PolarHBondContact O-N 3.11Å; G510-F514 PolarHBondContact O-N 2.95Å
511	F	51.8	Low	47.4	Very low	32 Å²	32	66.3 Å²	66.3	14%	0.14	38%	0.378	C	S	.	.	H	α-helix	trans	-52.6	-41.9	-179.9	179.5	-89.8	0	0	0	113.1	L375 M496 Q513 F514 I515 F561 L565 I568	L375-F511 HydrophobicContact CD2-CB 4.06Å; L375-F511 HydrophobicContact CD2-CD1 4.01Å; L375-F511 HydrophobicContact CD2-CG 4.14Å; M496-F511 VanDerWaalsContact SD-CA 3.55Å; M496-F511 HydrophobicContact SD-CB 4.24Å; F511-Q513 VanDerWaalsContact C-N 3.27Å; F511-Q513 PolarHBondContact O-N 2.88Å; F511-F514 PolarHBondContact O-N 2.67Å; F511-I515 HydrophobicContact CD1-CG1 3.93Å; F511-I515 HydrophobicContact CE1-CD1 4.29Å; F511-I515 HydrophobicContact CE1-CG1 3.6Å; F511-I515 HydrophobicContact CE2-CD1 4.39Å; F511-I515 HydrophobicContact CE2-CG1 4.36Å; F511-I515 HydrophobicContact CG-CG1 4.44Å; F511-I515 HydrophobicContact CZ-CD1 4.03Å; F511-I515 HydrophobicContact CZ-CG1 3.85Å; F511-I515 WeakPolarHBondContact O-CG1 3.32Å; F511-I515 PolarHBondContact O-N 3.28Å; F511-F561 HydrophobicContact CD2-CZ 4.16Å; F511-F561 HydrophobicContact CE2-CE2 4.34Å; F511-F561 AromaticContact CE2-CZ 3.63Å; F511-F561 HydrophobicContact CE2-CZ 3.63Å; F511-L565 HydrophobicContact CZ-CD1 3.81Å; F511-I568 HydrophobicContact CD2-CD1 4.29Å; F511-I568 HydrophobicContact CE2-CD1 3.73Å; F511-I568 HydrophobicContact CZ-CD1 4.21Å
512	N	49.1	Very low	47.7	Very low	80 Å²	80	64.3 Å²	64.3	43%	0.428	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-32	178.7	-69.6	-18.9	0	0	0	113.1	G510 K516	G510-N512 VanDerWaalsContact C-N 3.28Å; G510-N512 PolarHBondContact O-N 2.7Å; N512-K516 WeakPolarHBondContact O-CB 3.43Å; N512-K516 VanDerWaalsContact O-CG 3.25Å; N512-K516 WeakPolarHBondContact O-CG 3.32Å; N512-K516 PolarHBondContact O-N 2.81Å; N512-K516 VanDerWaalsContact O-N 3.08Å
513	Q	52.9	Low	47.5	Very low	99 Å²	99	62.1 Å²	62.1	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-81.2	-30.5	178	-163.7	159.5	-0.3	0	0	111.4	T509 G510 F511 L517	T509-Q513 WeakPolarHBondContact O-CB 3.33Å; T509-Q513 PolarHBondContact O-OE1 3.45Å; T509-Q513 PolarHBondContact OG1-OE1 2.82Å; G510-Q513 PolarHBondContact O-N 3.11Å; F511-Q513 VanDerWaalsContact C-N 3.27Å; F511-Q513 PolarHBondContact O-N 2.88Å; Q513-L517 VanDerWaalsContact O-CG 3.31Å; Q513-L517 WeakPolarHBondContact O-CG 3.45Å; Q513-L517 PolarHBondContact O-N 3.22Å
514	F	58.8	Low	47.4	Very low	2 Å²	2	66.9 Å²	66.9	1%	0.009	36%	0.355	C	S	.	.	H	α-helix	trans	-67.3	-47.9	170.7	176.6	-103.7	0	0	0	112.5	I460 M496 F498 C508 G510 F511 K516 L517 I518 F544 F561	I460-F514 HydrophobicContact CD1-CD1 4.47Å; I460-F514 HydrophobicContact CD1-CE1 3.96Å; I460-F514 HydrophobicContact CD1-CE2 4.29Å; I460-F514 HydrophobicContact CD1-CZ 3.86Å; I460-F514 HydrophobicContact CG2-CE2 3.99Å; I460-F514 HydrophobicContact CG2-CZ 3.89Å; M496-F514 HydrophobicContact CE-CB 3.75Å; M496-F514 HydrophobicContact CE-CD1 3.69Å; M496-F514 HydrophobicContact CE-CD2 4.14Å; M496-F514 HydrophobicContact CE-CE1 4.32Å; M496-F514 HydrophobicContact CE-CG 3.58Å; M496-F514 HydrophobicContact SD-CB 4Å; M496-F514 HydrophobicContact SD-CG 4.48Å; F498-F514 HydrophobicContact CE1-CD2 4.39Å; F498-F514 AromaticContact CE1-CE2 3.83Å; F498-F514 HydrophobicContact CE1-CE2 3.83Å; F498-F514 HydrophobicContact CE2-CD2 4.34Å; F498-F514 AromaticContact CZ-CD2 3.66Å; F498-F514 HydrophobicContact CZ-CD2 3.66Å; F498-F514 AromaticContact CZ-CE2 3.56Å; F498-F514 HydrophobicContact CZ-CE2 3.56Å; C508-F514 PolarHBondContact SG-N 3.35Å; C508-F514 VanDerWaalsContact SG-N 3.38Å; G510-F514 PolarHBondContact O-N 2.95Å; F511-F514 PolarHBondContact O-N 2.67Å; F514-K516 VanDerWaalsContact C-N 3.35Å; F514-K516 PolarHBondContact O-N 2.98Å; F514-L517 PolarHBondContact O-N 2.82Å; F514-L517 VanDerWaalsContact O-N 3.15Å; F514-I518 HydrophobicContact CD1-CD1 4.13Å; F514-I518 HydrophobicContact CE1-CD1 3.55Å; F514-I518 HydrophobicContact CE2-CD1 4.37Å; F514-I518 HydrophobicContact CZ-CD1 3.7Å; F514-I518 PolarHBondContact O-N 2.94Å; F514-F544 HydrophobicContact CE2-CD1 4.11Å; F514-F544 AromaticContact CE2-CE1 3.92Å; F514-F544 HydrophobicContact CE2-CE1 3.92Å; F514-F544 AromaticContact CZ-CD1 3.62Å; F514-F544 HydrophobicContact CZ-CD1 3.62Å; F514-F544 AromaticContact CZ-CE1 3.78Å; F514-F544 HydrophobicContact CZ-CE1 3.78Å; F514-F544 HydrophobicContact CZ-CG 4.03Å; F514-F544 HydrophobicContact CZ-CZ 4.34Å; F514-F561 HydrophobicContact CD1-CE1 4.33Å; F514-F561 HydrophobicContact CD1-CE2 4.33Å; F514-F561 AromaticContact CD1-CZ 3.83Å; F514-F561 HydrophobicContact CD1-CZ 3.83Å; F514-F561 HydrophobicContact CE1-CD1 4.2Å; F514-F561 HydrophobicContact CE1-CD2 4.38Å; F514-F561 AromaticContact CE1-CE1 3.67Å; F514-F561 HydrophobicContact CE1-CE1 3.67Å; F514-F561 AromaticContact CE1-CE2 3.86Å; F514-F561 HydrophobicContact CE1-CE2 3.86Å; F514-F561 AromaticContact CE1-CZ 3.47Å; F514-F561 HydrophobicContact CE1-CZ 3.47Å; F514-F561 VanDerWaalsContact CE1-CZ 3.47Å
515	I	59.2	Low	47	Very low	7 Å²	7	74.4 Å²	74.4	4%	0.036	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-43.3	174.8	-63.8	-60.6	0	0	0	110.6	F511 L517 I518 D519 F561 L592	F511-I515 HydrophobicContact CD1-CG1 3.93Å; F511-I515 HydrophobicContact CE1-CD1 4.29Å; F511-I515 HydrophobicContact CE1-CG1 3.6Å; F511-I515 HydrophobicContact CE2-CD1 4.39Å; F511-I515 HydrophobicContact CE2-CG1 4.36Å; F511-I515 HydrophobicContact CG-CG1 4.44Å; F511-I515 HydrophobicContact CZ-CD1 4.03Å; F511-I515 HydrophobicContact CZ-CG1 3.85Å; F511-I515 WeakPolarHBondContact O-CG1 3.32Å; F511-I515 PolarHBondContact O-N 3.28Å; I515-L517 VanDerWaalsContact C-N 3.34Å; I515-L517 PolarHBondContact O-N 3.41Å; I515-I518 WeakPolarHBondContact O-CB 3.23Å; I515-I518 PolarHBondContact O-N 3.11Å; I515-D519 PolarHBondContact O-N 3.21Å; I515-F561 HydrophobicContact CD1-CE1 4.08Å; I515-F561 HydrophobicContact CD1-CZ 4.3Å; I515-L592 HydrophobicContact CG2-CD1 4.35Å
516	K	54.6	Low	46.6	Very low	125 Å²	125	77.6 Å²	77.6	54%	0.543	39%	0.39	S	S	.	.	H	α-helix	trans	-55.8	-45.2	171.6	-81	178.6	177.9	-173.4	0	112.3	N512 F514 I518 D519 T520	N512-K516 WeakPolarHBondContact O-CB 3.43Å; N512-K516 VanDerWaalsContact O-CG 3.25Å; N512-K516 WeakPolarHBondContact O-CG 3.32Å; N512-K516 PolarHBondContact O-N 2.81Å; N512-K516 VanDerWaalsContact O-N 3.08Å; F514-K516 VanDerWaalsContact C-N 3.35Å; F514-K516 PolarHBondContact O-N 2.98Å; K516-I518 PolarHBondContact O-N 3.49Å; K516-D519 PolarHBondContact O-N 2.91Å; K516-T520 WeakPolarHBondContact O-CB 3.35Å; K516-T520 VanDerWaalsContact O-CG2 3.29Å; K516-T520 WeakPolarHBondContact O-CG2 3.35Å; K516-T520 PolarHBondContact O-N 3.4Å; K516-T520 PolarHBondContact O-OG1 3.47Å
517	L	54.2	Low	45.8	Very low	75 Å²	75	80.4 Å²	80.4	39%	0.393	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-22.2	177.9	-76.2	168.4	0	0	0	114.1	F472 Q513 F514 I515	F472-L517 WeakPolarHBondContact CE1-O 3.44Å; Q513-L517 VanDerWaalsContact O-CG 3.31Å; Q513-L517 WeakPolarHBondContact O-CG 3.45Å; Q513-L517 PolarHBondContact O-N 3.22Å; F514-L517 PolarHBondContact O-N 2.82Å; F514-L517 VanDerWaalsContact O-N 3.15Å; I515-L517 VanDerWaalsContact C-N 3.34Å; I515-L517 PolarHBondContact O-N 3.41Å
518	I	58.3	Low	45.1	Very low	6 Å²	6	81.9 Å²	81.9	3%	0.031	41%	0.414	C	S	.	.	H	α-helix	trans	-78.7	-52.3	170.8	-65.2	170.6	0	0	0	110.2	F514 I515 K516 F544 L592	F514-I518 HydrophobicContact CD1-CD1 4.13Å; F514-I518 HydrophobicContact CE1-CD1 3.55Å; F514-I518 HydrophobicContact CE2-CD1 4.37Å; F514-I518 HydrophobicContact CZ-CD1 3.7Å; F514-I518 PolarHBondContact O-N 2.94Å; I515-I518 WeakPolarHBondContact O-CB 3.23Å; I515-I518 PolarHBondContact O-N 3.11Å; K516-I518 PolarHBondContact O-N 3.49Å; I518-F544 HydrophobicContact CD1-CD2 4.05Å; I518-F544 HydrophobicContact CD1-CE2 3.6Å; I518-F544 HydrophobicContact CD1-CZ 3.89Å; I518-F544 HydrophobicContact CG1-CE2 3.87Å; I518-F544 HydrophobicContact CG1-CZ 3.85Å; I518-L592 HydrophobicContact CG2-CD1 4.17Å
519	D	54.4	Low	44.2	Very low	32 Å²	32	89.5 Å²	89.5	17%	0.171	45%	0.454	C	S	.	.	H	α-helix	trans	-63.5	-44.7	-179.8	-83.8	-51.8	0	0	0	112.7	I515 K516 K521 L522 S589	I515-D519 PolarHBondContact O-N 3.21Å; K516-D519 PolarHBondContact O-N 2.91Å; D519-K521 VanDerWaalsContact C-N 3.28Å; D519-K521 PolarHBondContact O-N 2.97Å; D519-L522 WeakPolarHBondContact O-CB 3.26Å; D519-L522 PolarHBondContact O-N 3.05Å; D519-L522 VanDerWaalsContact O-N 3.16Å; D519-S589 VanDerWaalsContact OD1-CB 3.31Å; D519-S589 WeakPolarHBondContact OD1-CB 3.43Å; D519-S589 PolarHBondContact OD1-OG 3.5Å
520	T	49	Very low	43.5	Very low	89 Å²	89	93.2 Å²	93.2	55%	0.546	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	2.2	-169.7	68.2	0	0	0	0	114.9	K516	K516-T520 WeakPolarHBondContact O-CB 3.35Å; K516-T520 VanDerWaalsContact O-CG2 3.29Å; K516-T520 WeakPolarHBondContact O-CG2 3.35Å; K516-T520 PolarHBondContact O-N 3.4Å; K516-T520 PolarHBondContact O-OG1 3.47Å
521	K	47.1	Very low	42.8	Very low	96 Å²	96	98.4 Å²	98.4	42%	0.417	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	5.1	166.5	-82	-162	172	-169	0	113.3	F472 D519	F472-K521 HydrophobicContact CE1-CD 4.35Å; F472-K521 HydrophobicContact CZ-CD 4.22Å; D519-K521 VanDerWaalsContact C-N 3.28Å; D519-K521 PolarHBondContact O-N 2.97Å
522	L	41	Very low	41.9	Very low	66 Å²	66	105 Å²	105	35%	0.346	53%	0.527	S	S	.	.	S	Bend	trans	-98	-8.5	175.1	-66	170.2	0	0	0	113.8	D519 Q538	D519-L522 WeakPolarHBondContact O-CB 3.26Å; D519-L522 PolarHBondContact O-N 3.05Å; D519-L522 VanDerWaalsContact O-N 3.16Å; L522-Q538 HydrophobicContact CD2-CG 4.14Å
523	I	28.6	Very low	41.2	Very low	124 Å²	124	106.9 Å²	106.9	64%	0.636	54%	0.537	S	S	*	.	S	Bend	trans	-146.6	127.8	-177.3	-42.6	179.1	0	0	0	110.8
524	H	28.5	Very low	40.5	Very low	163 Å²	163	106.8 Å²	106.8	76%	0.755	54%	0.539	S	S	*	.			trans	66	146.9	-170.4	-59.2	-81.4	0	0	0	113.7
525	E	28.8	Very low	39.2	Very low	190 Å²	190	109.8 Å²	109.8	89%	0.888	57%	0.57	S	S	*	*			cis	-98.1	113.1	19.5	-62	-179.8	114.8	0	0	114.9	N527	E525-N527 PolarHBondContact O-N 2.96Å
526	H	28.4	Very low	38.1	Very low	169 Å²	169	118.8 Å²	118.8	78%	0.782	61%	0.612	S	S	*	*			trans	-91.3	65.3	168.4	-164.9	-52.8	0	0	0	110.4
527	N	28.7	Very low	37.7	Very low	138 Å²	138	116 Å²	116	74%	0.738	60%	0.603	S	S	*	*			trans	-164.6	147.9	167.8	-96.9	-33.5	0	0	0	112.3	E525	E525-N527 PolarHBondContact O-N 2.96Å
528	N	32.1	Very low	37.4	Very low	133 Å²	133	119.1 Å²	119.1	71%	0.711	62%	0.615	S	S	*	*	S	Bend	trans	73.6	61.4	165	-54.6	-33.6	0	0	0	119.9	I530	N528-I530 PolarHBondContact O-N 3.3Å
529	N	28.7	Very low	37.2	Very low	163 Å²	163	119.3 Å²	119.3	87%	0.872	62%	0.616	S	S	*	*	S	Bend		49.1	34.7	129.6	-63	-2.1	0	0	0	120.7
530	I	34.1	Very low	37.3	Very low	149 Å²	149	118.3 Å²	118.3	76%	0.764	61%	0.613	S	S	*	*			trans	-140.2	147.3	150.7	-71.1	99.4	0	0	0	106.5	N528	N528-I530 PolarHBondContact O-N 3.3Å
531	M	31.4	Very low	37.9	Very low	129 Å²	129	114.1 Å²	114.1	64%	0.635	59%	0.588	S	S	*	*			trans	88.5	82.5	-174.8	-53.3	-67.2	-167.1	0	0	116.3	I534	M531-I534 HydrophobicContact CE-CD1 4.34Å; M531-I534 HydrophobicContact SD-CD1 3.78Å; M531-I534 HydrophobicContact SD-CG1 4.39Å
532	N	31.4	Very low	38.6	Very low	169 Å²	169	113.4 Å²	113.4	90%	0.904	59%	0.588	S	S	*	*	S	Bend	trans	-114.8	-1.6	162.4	-86.9	1.8	0	0	0	113.9
533	D	35.5	Very low	39.6	Very low	121 Å²	121	112.3 Å²	112.3	65%	0.647	58%	0.582	S	S	*	*	S	Bend	trans	-108.2	9.5	-174.4	-85.6	-44.9	0	0	0	114.4	Y792	D533-Y792 HydrophobicContact CB-CE1 4.26Å
534	I	37.6	Very low	41.6	Very low	97 Å²	97	106.5 Å²	106.5	50%	0.497	55%	0.552	S	S	.	*	S	Bend	trans	-120	94.5	172.5	-49.3	-179.3	0	0	0	107.7	M531 I537	M531-I534 HydrophobicContact CE-CD1 4.34Å; M531-I534 HydrophobicContact SD-CD1 3.78Å; M531-I534 HydrophobicContact SD-CG1 4.39Å; I534-I537 HydrophobicContact CG2-CD1 3.84Å; I534-I537 HydrophobicContact CG2-CG1 4.05Å
535	G	31.6	Very low	43.6	Very low	64 Å²	64	99.2 Å²	99.2	66%	0.66	52%	0.518	S	S	*	.			trans	-58	149.4	175	0	0	0	0	0	112	I537	G535-I537 WeakPolarHBondContact O-CG1 3.38Å; G535-I537 PolarHBondContact O-N 3.42Å
536	E	36.7	Very low	45.5	Very low	196 Å²	196	90.7 Å²	90.7	92%	0.916	48%	0.478	S	S	*	.			trans	-46.5	106.2	-171.2	-61.8	178	136.2	0	0	112.6	Q538	E536-Q538 PolarHBondContact O-N 3.42Å
537	I	45.1	Very low	47.3	Very low	68 Å²	68	84 Å²	84	35%	0.349	45%	0.447	S	S	.	.			trans	-81	88.1	178.4	-44.7	-176.4	0	0	0	108.1	I468 I534 G535 L539	I468-I537 HydrophobicContact CD1-CD1 4.32Å; I468-I537 HydrophobicContact CD1-CG2 3.81Å; I468-I537 HydrophobicContact CG1-CD1 4.26Å; I468-I537 HydrophobicContact CG1-CG2 4.44Å; I468-I537 HydrophobicContact CG2-CG2 4.36Å; I534-I537 HydrophobicContact CG2-CD1 3.84Å; I534-I537 HydrophobicContact CG2-CG1 4.05Å; G535-I537 WeakPolarHBondContact O-CG1 3.38Å; G535-I537 PolarHBondContact O-N 3.42Å; I537-L539 HydrophobicContact CB-CD1 4.26Å; I537-L539 HydrophobicContact CG2-CD1 3.58Å; I537-L539 WeakPolarHBondContact O-CD1 3.34Å; I537-L539 PolarHBondContact O-N 2.97Å
538	Q	49.2	Very low	48.8	Very low	140 Å²	140	79.4 Å²	79.4	65%	0.654	42%	0.422	S	S	*	.			trans	-79.1	109.8	174	-165.8	174.4	35.3	0	0	110	L522 E536 Q543	L522-Q538 HydrophobicContact CD2-CG 4.14Å; E536-Q538 PolarHBondContact O-N 3.42Å; Q538-Q543 PolarHBondContact O-NE2 3.41Å
539	L	54.4	Low	50	Low	9 Å²	9	74.2 Å²	74.2	5%	0.047	40%	0.397	C	S	.	.			trans	-96.4	117.3	176.4	-76.2	90	0	0	0	111.3	L462 I468 F472 I537 F544	L462-L539 HydrophobicContact CD1-CD2 3.55Å; L462-L539 HydrophobicContact CD2-CD2 3.92Å; L462-L539 HydrophobicContact CG-CD2 4.26Å; I468-L539 HydrophobicContact CG2-CD1 4.18Å; I468-L539 HydrophobicContact CG2-CD2 3.95Å; I468-L539 HydrophobicContact CG2-CG 4.47Å; F472-L539 HydrophobicContact CD2-CD2 4.21Å; F472-L539 HydrophobicContact CE2-CD1 3.55Å; F472-L539 HydrophobicContact CE2-CD2 3.49Å; F472-L539 VanDerWaalsContact CE2-CD2 3.49Å; F472-L539 HydrophobicContact CE2-CG 4.16Å; F472-L539 HydrophobicContact CZ-CD1 3.88Å; F472-L539 HydrophobicContact CZ-CD2 3.82Å; F472-L539 HydrophobicContact CZ-CG 4.38Å; I537-L539 HydrophobicContact CB-CD1 4.26Å; I537-L539 HydrophobicContact CG2-CD1 3.58Å; I537-L539 WeakPolarHBondContact O-CD1 3.34Å; I537-L539 PolarHBondContact O-N 2.97Å; L539-F544 HydrophobicContact CD2-CE2 4.35Å; L539-F544 HydrophobicContact CD2-CZ 4.16Å
540	G	56.2	Low	51.1	Low	11 Å²	11	71.7 Å²	71.7	11%	0.113	38%	0.375	C	S	.	.			trans	-77.9	150	167.3	0	0	0	0	0	112.1	D542 Q543	G540-D542 PolarHBondContact O-N 3.25Å; G540-Q543 WeakPolarHBondContact O-CB 3.2Å; G540-Q543 PolarHBondContact O-N 2.88Å
541	V	60.1	Low	51.7	Low	2 Å²	2	67 Å²	67	1%	0.012	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-57.9	-34.6	176	-178.7	0	0	0	0	111.5	Q543 F544 F561 L565 L592	V541-Q543 PolarHBondContact O-N 3.5Å; V541-F544 PolarHBondContact O-N 3.09Å; V541-F544 VanDerWaalsContact O-N 3.11Å; V541-F561 HydrophobicContact CG1-CD1 3.69Å; V541-F561 HydrophobicContact CG1-CE1 4.13Å; V541-L565 HydrophobicContact CG1-CD2 3.82Å; V541-L592 HydrophobicContact CG2-CD1 3.92Å; V541-L592 HydrophobicContact CG2-CD2 4.15Å; V541-L592 HydrophobicContact CG2-CG 3.89Å
542	D	61.6	Low	52.1	Low	80 Å²	80	68.9 Å²	68.9	43%	0.428	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-61	-12.2	172.9	45.9	-74.7	0	0	0	115	G540	G540-D542 PolarHBondContact O-N 3.25Å
543	Q	64	Low	52.5	Low	44 Å²	44	67.9 Å²	67.9	21%	0.206	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-82.1	-13	171.4	-58.4	-179.4	20.4	0	0	113.3	L462 R463 Q538 G540 V541	L462-Q543 HydrophobicContact CD2-CB 4.07Å; R463-Q543 VanDerWaalsContact CB-O 3.3Å; R463-Q543 WeakPolarHBondContact CB-O 3.4Å; R463-Q543 PolarHBondContact N-O 3.05Å; Q538-Q543 PolarHBondContact O-NE2 3.41Å; G540-Q543 WeakPolarHBondContact O-CB 3.2Å; G540-Q543 PolarHBondContact O-N 2.88Å; V541-Q543 PolarHBondContact O-N 3.5Å
544	F	69	Low	53.1	Low	1 Å²	1	68.1 Å²	68.1	0%	0.004	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	151.2	-178.5	-67.6	-90.9	0	0	0	112.7	I460 R461 L462 F514 I518 L539 V541 F561	I460-F544 HydrophobicContact CG2-CD1 3.9Å; R461-F544 WeakPolarHBondContact O-CA 3.31Å; L462-F544 HydrophobicContact CD1-CD1 4.12Å; L462-F544 HydrophobicContact CD1-CE1 3.47Å; L462-F544 VanDerWaalsContact CD1-CE1 3.47Å; L462-F544 HydrophobicContact CD1-CE2 4.45Å; L462-F544 HydrophobicContact CD1-CZ 3.67Å; L462-F544 HydrophobicContact CG-CD1 4.2Å; L462-F544 HydrophobicContact CG-CE1 4.04Å; L462-F544 HydrophobicContact CG-CZ 4.36Å; F514-F544 HydrophobicContact CE2-CD1 4.11Å; F514-F544 AromaticContact CE2-CE1 3.92Å; F514-F544 HydrophobicContact CE2-CE1 3.92Å; F514-F544 AromaticContact CZ-CD1 3.62Å; F514-F544 HydrophobicContact CZ-CD1 3.62Å; F514-F544 AromaticContact CZ-CE1 3.78Å; F514-F544 HydrophobicContact CZ-CE1 3.78Å; F514-F544 HydrophobicContact CZ-CG 4.03Å; F514-F544 HydrophobicContact CZ-CZ 4.34Å; I518-F544 HydrophobicContact CD1-CD2 4.05Å; I518-F544 HydrophobicContact CD1-CE2 3.6Å; I518-F544 HydrophobicContact CD1-CZ 3.89Å; I518-F544 HydrophobicContact CG1-CE2 3.87Å; I518-F544 HydrophobicContact CG1-CZ 3.85Å; L539-F544 HydrophobicContact CD2-CE2 4.35Å; L539-F544 HydrophobicContact CD2-CZ 4.16Å; V541-F544 PolarHBondContact O-N 3.09Å; V541-F544 VanDerWaalsContact O-N 3.11Å; F544-F561 HydrophobicContact CB-CB 3.62Å; F544-F561 HydrophobicContact CB-CD1 4.47Å; F544-F561 HydrophobicContact CB-CG 4.19Å; F544-F561 WeakPolarHBondContact O-CB 3.5Å; F544-F561 PolarHBondContact O-N 3.08Å
545	E	70.2	Confident	53.5	Low	10 Å²	10	65 Å²	65	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.6	172.9	-65.9	-178.9	161	0	0	111.1	I460 R461 R463 W558 A559	I460-E545 CarbonylContact C-O 3.51Å; I460-E545 VanDerWaalsContact CA-O 3.29Å; I460-E545 WeakPolarHBondContact CA-O 3.37Å; R461-E545 HydrophobicContact CG-CB 4.05Å; R461-E545 IonicContact CZ-OE2 2.74Å; R461-E545 PolarHBondContact N-O 2.65Å; R461-E545 IonicContact NE-OE2 2.76Å; R461-E545 PolarHBondContact NE-OE2 3.02Å; R461-E545 IonicContact NH2-OE2 2.81Å; R461-E545 PolarHBondContact NH2-OE2 3.36Å; R461-E545 PolarHBondContact O-N 2.97Å; R463-E545 HydrophobicContact CB-CG 4.31Å; R463-E545 WeakPolarHBondContact CD-OE1 3.31Å; R463-E545 IonicContact CZ-OE1 2.7Å; R463-E545 IonicContact NE-OE1 2.6Å; R463-E545 IonicContact NH1-OE1 2.81Å; R463-E545 PolarHBondContact NH1-OE1 2.9Å; E545-W558 HydrophobicContact CB-CB 4.35Å; E545-W558 HydrophobicContact CB-CE3 3.96Å; E545-A559 CarbonylContact C-O 3.55Å; E545-A559 WeakPolarHBondContact CA-O 3.41Å; E545-A559 WeakPolarHBondContact CB-O 3.29Å
546	Y	69.1	Low	54.9	Low	11 Å²	11	63.8 Å²	63.8	4%	0.043	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.7	178	74.9	-74.8	0	0	0	113.1	Y368 L459 I548 W558 A559 P560 L564	Y368-Y546 PolarHBondContact OH-OH 3.22Å; L459-Y546 CarbonylContact O-C 3.57Å; L459-Y546 VanDerWaalsContact O-CA 3.28Å; L459-Y546 WeakPolarHBondContact O-CA 3.19Å; Y546-I548 HydrophobicContact CD2-CG1 4.38Å; Y546-I548 HydrophobicContact CE2-CG1 3.58Å; Y546-I548 PolarHBondContact O-N 3.07Å; Y546-W558 WeakPolarHBondContact O-CA 3.23Å; Y546-A559 HydrophobicContact CD1-CB 4.41Å; Y546-A559 VanDerWaalsContact CD1-O 3.27Å; Y546-A559 WeakPolarHBondContact CD1-O 3.41Å; Y546-A559 HydrophobicContact CE1-CB 3.73Å; Y546-A559 PolarHBondContact N-O 2.74Å; Y546-A559 PolarHBondContact O-N 3.03Å; Y546-A559 VanDerWaalsContact O-N 3.11Å; Y546-P560 WeakPolarHBondContact CE1-O 3.45Å; Y546-L564 HydrophobicContact CD1-CB 3.89Å; Y546-L564 HydrophobicContact CD1-CD2 4.36Å; Y546-L564 HydrophobicContact CD2-CD2 4.09Å; Y546-L564 HydrophobicContact CE1-CB 3.61Å; Y546-L564 HydrophobicContact CE2-CB 4.33Å; Y546-L564 HydrophobicContact CE2-CD2 4.44Å; Y546-L564 HydrophobicContact CG-CB 4.38Å; Y546-L564 HydrophobicContact CG-CD2 4.05Å
547	E	65.8	Low	56.1	Low	30 Å²	30	57.3 Å²	57.3	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	113.6	171.7	171.2	161.2	-167.4	0	0	110.4	L459 R550 I556 W558	L459-E547 HydrophobicContact CB-CB 3.99Å; L459-E547 VanDerWaalsContact CD1-OE2 3.25Å; L459-E547 WeakPolarHBondContact CD1-OE2 3.44Å; L459-E547 PolarHBondContact O-N 2.92Å; E547-R550 WeakPolarHBondContact OE1-CG 3.2Å; E547-R550 IonicContact OE1-CZ 2.67Å; E547-R550 IonicContact OE1-NE 3.18Å; E547-R550 PolarHBondContact OE1-NE 2.78Å; E547-R550 IonicContact OE1-NH2 3.8Å; E547-R550 PolarHBondContact OE1-NH2 3.34Å; E547-R550 IonicContact OE2-CZ 2.74Å; E547-R550 IonicContact OE2-NE 3.6Å; E547-R550 IonicContact OE2-NH2 3.93Å; E547-R550 PolarHBondContact OE2-NH2 3.02Å; E547-I556 HydrophobicContact CB-CG2 3.89Å; E547-I556 HydrophobicContact CG-CG2 3.66Å; E547-W558 HydrophobicContact CB-CZ3 4.46Å
548	I	61.8	Low	57.2	Low	41 Å²	41	55.4 Å²	55.4	21%	0.21	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-52.8	171.9	-80.4	167.5	0	0	0	111	L364 Y546 I557 A559	L364-I548 HydrophobicContact CD1-CG2 3.71Å; L364-I548 HydrophobicContact CD2-CG1 4.4Å; L364-I548 HydrophobicContact CD2-CG2 3.84Å; L364-I548 HydrophobicContact CG-CG2 3.85Å; Y546-I548 HydrophobicContact CD2-CG1 4.38Å; Y546-I548 HydrophobicContact CE2-CG1 3.58Å; Y546-I548 PolarHBondContact O-N 3.07Å; I548-I557 HydrophobicContact CB-CB 4.35Å; I548-I557 HydrophobicContact CB-CG2 4.26Å; I548-I557 WeakPolarHBondContact CB-O 3.47Å; I548-I557 HydrophobicContact CD1-CG2 4.16Å; I548-I557 HydrophobicContact CG2-CG2 4.48Å; I548-I557 PolarHBondContact N-O 2.71Å; I548-A559 HydrophobicContact CD1-CB 3.3Å; I548-A559 HydrophobicContact CG1-CB 4.05Å
549	A	57.2	Low	57.9	Low	23 Å²	23	49.2 Å²	49.2	19%	0.19	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	165.8	-170.7	0	0	0	0	0	110.2	I557	A549-I557 WeakPolarHBondContact O-CB 3.22Å; A549-I557 PolarHBondContact O-N 3.38Å
550	R	50	Low	58.5	Low	110 Å²	110	50.9 Å²	50.9	42%	0.415	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.4	162	-55.6	-174.6	-174.2	-176.5	-3.6	109.3	E547 Q555 I556	E547-R550 WeakPolarHBondContact OE1-CG 3.2Å; E547-R550 IonicContact OE1-CZ 2.67Å; E547-R550 IonicContact OE1-NE 3.18Å; E547-R550 PolarHBondContact OE1-NE 2.78Å; E547-R550 IonicContact OE1-NH2 3.8Å; E547-R550 PolarHBondContact OE1-NH2 3.34Å; E547-R550 IonicContact OE2-CZ 2.74Å; E547-R550 IonicContact OE2-NE 3.6Å; E547-R550 IonicContact OE2-NH2 3.93Å; E547-R550 PolarHBondContact OE2-NH2 3.02Å; R550-Q555 VanDerWaalsContact CA-O 3.31Å; R550-Q555 WeakPolarHBondContact CA-O 3.34Å; R550-I556 HydrophobicContact CG-CG1 4.38Å
551	D	47.9	Very low	59.3	Low	51 Å²	51	50.4 Å²	50.4	27%	0.273	26%	0.257	S	S	.	.			trans	-73.5	177	172.8	76.9	-3.5	0	0	0	111.6	M553 N554 Q555 I557	D551-M553 PolarHBondContact O-N 2.93Å; D551-M553 VanDerWaalsContact O-N 3.07Å; D551-M553 WeakPolarHBondContact OD1-CA 3.19Å; D551-M553 WeakPolarHBondContact OD1-CB 3.48Å; D551-M553 PolarHBondContact OD1-N 3.4Å; D551-N554 PolarHBondContact O-N 3.36Å; D551-N554 PolarHBondContact OD1-N 3.48Å; D551-Q555 PolarHBondContact N-O 2.86Å; D551-Q555 VanDerWaalsContact N-O 3.07Å; D551-Q555 WeakPolarHBondContact OD1-CB 3.36Å; D551-Q555 PolarHBondContact OD1-N 3.35Å; D551-I557 HydrophobicContact CB-CD1 4.46Å
552	N	39.7	Very low	59.6	Low	169 Å²	169	51.7 Å²	51.7	90%	0.904	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.5	177.4	-65.7	-11	0	0	0	113.5
553	M	39.9	Very low	59.7	Low	147 Å²	147	51.5 Å²	51.5	72%	0.724	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	9.9	174.6	-56.9	-62.1	-65.1	0	0	111.9	D551 Q555	D551-M553 PolarHBondContact O-N 2.93Å; D551-M553 VanDerWaalsContact O-N 3.07Å; D551-M553 WeakPolarHBondContact OD1-CA 3.19Å; D551-M553 WeakPolarHBondContact OD1-CB 3.48Å; D551-M553 PolarHBondContact OD1-N 3.4Å; M553-Q555 VanDerWaalsContact C-N 3.25Å; M553-Q555 HydrophobicContact CB-CG 4.31Å; M553-Q555 PolarHBondContact O-N 3.14Å
554	N	47.3	Very low	59.8	Low	127 Å²	127	49.7 Å²	49.7	68%	0.679	25%	0.254	S	S	*	.			trans	64.3	19.9	-179	-133.8	8.1	0	0	0	114.8	D551	D551-N554 PolarHBondContact O-N 3.36Å; D551-N554 PolarHBondContact OD1-N 3.48Å
555	Q	47.4	Very low	59.6	Low	30 Å²	30	49.7 Å²	49.7	14%	0.14	25%	0.254	C	S	.	.			trans	-82.1	135	174.7	-56.3	-173.1	32.7	0	0	111.1	R550 D551 M553 I557	R550-Q555 VanDerWaalsContact CA-O 3.31Å; R550-Q555 WeakPolarHBondContact CA-O 3.34Å; D551-Q555 PolarHBondContact N-O 2.86Å; D551-Q555 VanDerWaalsContact N-O 3.07Å; D551-Q555 WeakPolarHBondContact OD1-CB 3.36Å; D551-Q555 PolarHBondContact OD1-N 3.35Å; M553-Q555 VanDerWaalsContact C-N 3.25Å; M553-Q555 HydrophobicContact CB-CG 4.31Å; M553-Q555 PolarHBondContact O-N 3.14Å; Q555-I557 PolarHBondContact O-N 3.46Å
556	I	59.4	Low	59.2	Low	39 Å²	39	52.6 Å²	52.6	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.7	177	-58.3	175.3	0	0	0	110.2	E547 R550 W558	E547-I556 HydrophobicContact CB-CG2 3.89Å; E547-I556 HydrophobicContact CG-CG2 3.66Å; R550-I556 HydrophobicContact CG-CG1 4.38Å; I556-W558 HydrophobicContact CG2-CD2 4.16Å; I556-W558 HydrophobicContact CG2-CG 4.28Å; I556-W558 HydrophobicContact CG2-CZ2 3.96Å; I556-W558 VanDerWaalsContact CG2-NE1 3.27Å
557	I	62	Low	58.6	Low	61 Å²	61	53.2 Å²	53.2	31%	0.313	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.4	172.4	-56.3	178.2	0	0	0	108.4	I548 A549 D551 Q555	I548-I557 HydrophobicContact CB-CB 4.35Å; I548-I557 HydrophobicContact CB-CG2 4.26Å; I548-I557 WeakPolarHBondContact CB-O 3.47Å; I548-I557 HydrophobicContact CD1-CG2 4.16Å; I548-I557 HydrophobicContact CG2-CG2 4.48Å; I548-I557 PolarHBondContact N-O 2.71Å; A549-I557 WeakPolarHBondContact O-CB 3.22Å; A549-I557 PolarHBondContact O-N 3.38Å; D551-I557 HydrophobicContact CB-CD1 4.46Å; Q555-I557 PolarHBondContact O-N 3.46Å
558	W	69	Low	58.2	Low	28 Å²	28	52.2 Å²	52.2	11%	0.106	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	139.5	170.4	-63.4	92.8	0	0	0	111.3	L459 R461 E499 E545 Y546 E547 I556	L459-W558 HydrophobicContact CB-CH2 4.07Å; L459-W558 WeakPolarHBondContact O-CZ3 3.28Å; R461-W558 HydrophobicContact CB-CH2 4.11Å; R461-W558 HydrophobicContact CB-CZ3 4.06Å; R461-W558 HydrophobicContact CG-CD2 4.2Å; R461-W558 HydrophobicContact CG-CE3 3.73Å; R461-W558 HydrophobicContact CG-CH2 3.98Å; R461-W558 HydrophobicContact CG-CZ2 4.42Å; R461-W558 HydrophobicContact CG-CZ3 3.62Å; R461-W558 VanDerWaalsContact CZ-CD1 3.4Å; R461-W558 VanDerWaalsContact CZ-CG 3.43Å; R461-W558 VanDerWaalsContact NE-CD2 3.35Å; E499-W558 HydrophobicContact CB-CH2 4.23Å; E499-W558 HydrophobicContact CB-CZ2 4.4Å; E499-W558 WeakPolarHBondContact OE2-CZ2 3.49Å; E545-W558 HydrophobicContact CB-CB 4.35Å; E545-W558 HydrophobicContact CB-CE3 3.96Å; Y546-W558 WeakPolarHBondContact O-CA 3.23Å; E547-W558 HydrophobicContact CB-CZ3 4.46Å; I556-W558 HydrophobicContact CG2-CD2 4.16Å; I556-W558 HydrophobicContact CG2-CG 4.28Å; I556-W558 HydrophobicContact CG2-CZ2 3.96Å; I556-W558 VanDerWaalsContact CG2-NE1 3.27Å
559	A	62.7	Low	57.8	Low	10 Å²	10	52.2 Å²	52.2	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	157	164.9	0	0	0	0	0	111.4	E545 Y546 I548 F561	E545-A559 CarbonylContact C-O 3.55Å; E545-A559 WeakPolarHBondContact CA-O 3.41Å; E545-A559 WeakPolarHBondContact CB-O 3.29Å; Y546-A559 HydrophobicContact CD1-CB 4.41Å; Y546-A559 VanDerWaalsContact CD1-O 3.27Å; Y546-A559 WeakPolarHBondContact CD1-O 3.41Å; Y546-A559 HydrophobicContact CE1-CB 3.73Å; Y546-A559 PolarHBondContact N-O 2.74Å; Y546-A559 PolarHBondContact O-N 3.03Å; Y546-A559 VanDerWaalsContact O-N 3.11Å; I548-A559 HydrophobicContact CD1-CB 3.3Å; I548-A559 HydrophobicContact CG1-CB 4.05Å; A559-F561 PolarHBondContact O-N 2.94Å
560	P	68.7	Low	57.5	Low	44 Å²	44	55.7 Å²	55.7	29%	0.286	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	133.3	171.4	-25.7	33.8	0	0	0	112.2	Y546 I562 D563	Y546-P560 WeakPolarHBondContact CE1-O 3.45Å; P560-I562 HydrophobicContact CB-CG2 3.66Å; P560-I562 PolarHBondContact O-N 3.1Å; P560-D563 WeakPolarHBondContact CD-OD2 3.41Å; P560-D563 WeakPolarHBondContact O-CB 3.36Å; P560-D563 PolarHBondContact O-N 2.75Å
561	F	71.3	Confident	57.3	Low	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-23.8	177.4	-179.8	-99.7	0	0	0	112.2	I460 F511 F514 I515 V541 F544 A559 D563 L564 L565	I460-F561 HydrophobicContact CD1-CD2 3.5Å; I460-F561 HydrophobicContact CD1-CE2 3.52Å; I460-F561 HydrophobicContact CD1-CG 4.48Å; F511-F561 HydrophobicContact CD2-CZ 4.16Å; F511-F561 HydrophobicContact CE2-CE2 4.34Å; F511-F561 AromaticContact CE2-CZ 3.63Å; F511-F561 HydrophobicContact CE2-CZ 3.63Å; F514-F561 HydrophobicContact CD1-CE1 4.33Å; F514-F561 HydrophobicContact CD1-CE2 4.33Å; F514-F561 AromaticContact CD1-CZ 3.83Å; F514-F561 HydrophobicContact CD1-CZ 3.83Å; F514-F561 HydrophobicContact CE1-CD1 4.2Å; F514-F561 HydrophobicContact CE1-CD2 4.38Å; F514-F561 AromaticContact CE1-CE1 3.67Å; F514-F561 HydrophobicContact CE1-CE1 3.67Å; F514-F561 AromaticContact CE1-CE2 3.86Å; F514-F561 HydrophobicContact CE1-CE2 3.86Å; F514-F561 AromaticContact CE1-CZ 3.47Å; F514-F561 HydrophobicContact CE1-CZ 3.47Å; F514-F561 VanDerWaalsContact CE1-CZ 3.47Å; I515-F561 HydrophobicContact CD1-CE1 4.08Å; I515-F561 HydrophobicContact CD1-CZ 4.3Å; V541-F561 HydrophobicContact CG1-CD1 3.69Å; V541-F561 HydrophobicContact CG1-CE1 4.13Å; F544-F561 HydrophobicContact CB-CB 3.62Å; F544-F561 HydrophobicContact CB-CD1 4.47Å; F544-F561 HydrophobicContact CB-CG 4.19Å; F544-F561 WeakPolarHBondContact O-CB 3.5Å; F544-F561 PolarHBondContact O-N 3.08Å; A559-F561 PolarHBondContact O-N 2.94Å; F561-D563 PolarHBondContact O-N 3.16Å; F561-L564 HydrophobicContact CD2-CB 4.49Å; F561-L564 HydrophobicContact CD2-CD2 3.95Å; F561-L564 HydrophobicContact CE2-CD2 3.82Å; F561-L564 WeakPolarHBondContact O-CB 3.27Å; F561-L564 PolarHBondContact O-N 3.04Å; F561-L564 VanDerWaalsContact O-N 3.16Å; F561-L565 PolarHBondContact O-N 3.27Å
562	I	66.9	Low	57.3	Low	30 Å²	30	50.1 Å²	50.1	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-29.9	169.1	-170.7	59.7	0	0	0	112.5	P560 L565 L566 I596	P560-I562 HydrophobicContact CB-CG2 3.66Å; P560-I562 PolarHBondContact O-N 3.1Å; I562-L565 HydrophobicContact CD1-CB 4.46Å; I562-L565 HydrophobicContact CD1-CD2 4.25Å; I562-L565 PolarHBondContact O-N 3.32Å; I562-L566 HydrophobicContact CD1-CG 4.2Å; I562-L566 HydrophobicContact CG1-CD1 4.02Å; I562-L566 HydrophobicContact CG1-CG 4.18Å; I562-L566 VanDerWaalsContact O-CB 3.24Å; I562-L566 WeakPolarHBondContact O-CB 3.44Å; I562-L566 VanDerWaalsContact O-CG 3.22Å; I562-L566 WeakPolarHBondContact O-CG 3.47Å; I562-L566 PolarHBondContact O-N 3.12Å; I562-I596 HydrophobicContact CD1-CG1 4.09Å; I562-I596 HydrophobicContact CD1-CG2 4.36Å
563	D	63.2	Low	57.5	Low	76 Å²	76	45.1 Å²	45.1	41%	0.406	24%	0.239	S	C	.	.	H	α-helix	trans	-68.6	-40.6	174.9	-61.5	-10.2	0	0	0	111	P560 F561 L567	P560-D563 WeakPolarHBondContact CD-OD2 3.41Å; P560-D563 WeakPolarHBondContact O-CB 3.36Å; P560-D563 PolarHBondContact O-N 2.75Å; F561-D563 PolarHBondContact O-N 3.16Å; D563-L567 WeakPolarHBondContact O-CB 3.42Å; D563-L567 PolarHBondContact O-N 3.1Å
564	L	67.2	Low	57.5	Low	5 Å²	5	42.1 Å²	42.1	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-41	173.9	175.6	60.2	0	0	0	110.8	Y368 I371 Y546 F561 L567 I568	Y368-L564 HydrophobicContact CD1-CD1 4.14Å; Y368-L564 HydrophobicContact CE1-CD1 3.85Å; I371-L564 HydrophobicContact CD1-CD1 4.16Å; Y546-L564 HydrophobicContact CD1-CB 3.89Å; Y546-L564 HydrophobicContact CD1-CD2 4.36Å; Y546-L564 HydrophobicContact CD2-CD2 4.09Å; Y546-L564 HydrophobicContact CE1-CB 3.61Å; Y546-L564 HydrophobicContact CE2-CB 4.33Å; Y546-L564 HydrophobicContact CE2-CD2 4.44Å; Y546-L564 HydrophobicContact CG-CB 4.38Å; Y546-L564 HydrophobicContact CG-CD2 4.05Å; F561-L564 HydrophobicContact CD2-CB 4.49Å; F561-L564 HydrophobicContact CD2-CD2 3.95Å; F561-L564 HydrophobicContact CE2-CD2 3.82Å; F561-L564 WeakPolarHBondContact O-CB 3.27Å; F561-L564 PolarHBondContact O-N 3.04Å; F561-L564 VanDerWaalsContact O-N 3.16Å; L564-L567 PolarHBondContact O-N 3.11Å; L564-I568 HydrophobicContact CD1-CD1 3.91Å; L564-I568 HydrophobicContact CD1-CG1 4.25Å; L564-I568 HydrophobicContact CG-CD1 3.87Å; L564-I568 WeakPolarHBondContact O-CB 3.23Å; L564-I568 WeakPolarHBondContact O-CD1 3.43Å; L564-I568 WeakPolarHBondContact O-CG1 3.38Å; L564-I568 PolarHBondContact O-N 3.2Å
565	L	65.1	Low	57	Low	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-44.4	178.3	-175.6	60.3	0	0	0	112.3	F511 V541 F561 I562 L567 I568 L569 L588 L592 I596	F511-L565 HydrophobicContact CZ-CD1 3.81Å; V541-L565 HydrophobicContact CG1-CD2 3.82Å; F561-L565 PolarHBondContact O-N 3.27Å; I562-L565 HydrophobicContact CD1-CB 4.46Å; I562-L565 HydrophobicContact CD1-CD2 4.25Å; I562-L565 PolarHBondContact O-N 3.32Å; L565-L567 VanDerWaalsContact C-N 3.31Å; L565-L567 PolarHBondContact O-N 3.33Å; L565-I568 PolarHBondContact O-N 3.1Å; L565-L569 HydrophobicContact CG-CD1 4.18Å; L565-L569 WeakPolarHBondContact O-CB 3.47Å; L565-L569 VanDerWaalsContact O-CG 3.28Å; L565-L569 WeakPolarHBondContact O-CG 3.43Å; L565-L569 PolarHBondContact O-N 2.78Å; L565-L588 HydrophobicContact CD1-CD2 4.42Å; L565-L592 HydrophobicContact CD2-CD2 4.49Å; L565-I596 HydrophobicContact CD2-CD1 3.52Å; L565-I596 HydrophobicContact CD2-CG1 4.36Å; L565-I596 HydrophobicContact CG-CD1 4.41Å
566	L	61	Low	56.6	Low	72 Å²	72	47.5 Å²	47.5	38%	0.377	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-40.6	173.9	-77.5	169.6	0	0	0	111.2	I562 L569 Q570	I562-L566 HydrophobicContact CD1-CG 4.2Å; I562-L566 HydrophobicContact CG1-CD1 4.02Å; I562-L566 HydrophobicContact CG1-CG 4.18Å; I562-L566 VanDerWaalsContact O-CB 3.24Å; I562-L566 WeakPolarHBondContact O-CB 3.44Å; I562-L566 VanDerWaalsContact O-CG 3.22Å; I562-L566 WeakPolarHBondContact O-CG 3.47Å; I562-L566 PolarHBondContact O-N 3.12Å; L566-L569 PolarHBondContact O-N 3.35Å; L566-Q570 VanDerWaalsContact O-CB 3.28Å; L566-Q570 WeakPolarHBondContact O-CB 3.3Å; L566-Q570 PolarHBondContact O-N 2.86Å
567	L	56.7	Low	55.5	Low	23 Å²	23	47 Å²	47	12%	0.12	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-45.6	175.1	-160.8	95	0	0	0	111.5	W360 Y368 D563 L564 L565 L569 Q570 L571	W360-L567 HydrophobicContact CH2-CD1 3.7Å; W360-L567 HydrophobicContact CZ3-CD1 4.08Å; Y368-L567 HydrophobicContact CD1-CD2 3.37Å; Y368-L567 HydrophobicContact CD2-CD2 3.3Å; Y368-L567 HydrophobicContact CE1-CD2 3.55Å; Y368-L567 HydrophobicContact CE2-CD2 3.46Å; Y368-L567 VanDerWaalsContact CE2-CD2 3.46Å; Y368-L567 HydrophobicContact CG-CD2 3.24Å; D563-L567 WeakPolarHBondContact O-CB 3.42Å; D563-L567 PolarHBondContact O-N 3.1Å; L564-L567 PolarHBondContact O-N 3.11Å; L565-L567 VanDerWaalsContact C-N 3.31Å; L565-L567 PolarHBondContact O-N 3.33Å; L567-L569 VanDerWaalsContact C-N 3.27Å; L567-L569 PolarHBondContact O-N 3.24Å; L567-Q570 PolarHBondContact O-N 2.81Å; L567-Q570 VanDerWaalsContact O-N 3.14Å; L567-L571 HydrophobicContact CD2-CD1 3.57Å; L567-L571 HydrophobicContact CG-CD1 3.69Å; L567-L571 HydrophobicContact CG-CG 4.3Å; L567-L571 WeakPolarHBondContact O-CB 3.22Å; L567-L571 VanDerWaalsContact O-CD1 3.3Å; L567-L571 WeakPolarHBondContact O-CD1 3.44Å; L567-L571 WeakPolarHBondContact O-CG 3.48Å; L567-L571 PolarHBondContact O-N 2.8Å
568	I	58.1	Low	54.2	Low	9 Å²	9	48.8 Å²	48.8	5%	0.046	26%	0.262	C	S	.	.	H	α-helix	trans	-54.7	-44.9	174	-75.2	165.4	0	0	0	110.2	I371 L375 F511 L564 L565 L571 I572	I371-I568 HydrophobicContact CG2-CD1 4.08Å; I371-I568 HydrophobicContact CG2-CG1 4.21Å; L375-I568 HydrophobicContact CD1-CD1 4.08Å; L375-I568 HydrophobicContact CD1-CG1 4.12Å; L375-I568 HydrophobicContact CD1-CG2 3.94Å; F511-I568 HydrophobicContact CD2-CD1 4.29Å; F511-I568 HydrophobicContact CE2-CD1 3.73Å; F511-I568 HydrophobicContact CZ-CD1 4.21Å; L564-I568 HydrophobicContact CD1-CD1 3.91Å; L564-I568 HydrophobicContact CD1-CG1 4.25Å; L564-I568 HydrophobicContact CG-CD1 3.87Å; L564-I568 WeakPolarHBondContact O-CB 3.23Å; L564-I568 WeakPolarHBondContact O-CD1 3.43Å; L564-I568 WeakPolarHBondContact O-CG1 3.38Å; L564-I568 PolarHBondContact O-N 3.2Å; L565-I568 PolarHBondContact O-N 3.1Å; I568-L571 PolarHBondContact O-N 3.03Å; I568-I572 HydrophobicContact CG2-CD1 3.6Å; I568-I572 HydrophobicContact CG2-CG1 4.39Å; I568-I572 VanDerWaalsContact O-CB 3.27Å; I568-I572 WeakPolarHBondContact O-CB 3.47Å; I568-I572 WeakPolarHBondContact O-CG1 3.3Å; I568-I572 PolarHBondContact O-N 2.77Å
569	L	52.2	Low	52.7	Low	41 Å²	41	55.9 Å²	55.9	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-44	175.1	-73.4	167.8	0	0	0	112.8	L565 L566 L567 L571 I572 S573 L588	L565-L569 HydrophobicContact CG-CD1 4.18Å; L565-L569 WeakPolarHBondContact O-CB 3.47Å; L565-L569 VanDerWaalsContact O-CG 3.28Å; L565-L569 WeakPolarHBondContact O-CG 3.43Å; L565-L569 PolarHBondContact O-N 2.78Å; L566-L569 PolarHBondContact O-N 3.35Å; L567-L569 VanDerWaalsContact C-N 3.27Å; L567-L569 PolarHBondContact O-N 3.24Å; L569-L571 VanDerWaalsContact C-N 3.26Å; L569-L571 PolarHBondContact O-N 2.83Å; L569-I572 PolarHBondContact O-N 2.76Å; L569-S573 WeakPolarHBondContact O-CB 3.29Å; L569-S573 PolarHBondContact O-N 3.44Å; L569-S573 PolarHBondContact O-OG 3.41Å; L569-L588 HydrophobicContact CD2-CD1 3.84Å
570	Q	52.2	Low	51.6	Low	97 Å²	97	62.2 Å²	62.2	45%	0.453	32%	0.321	S	S	.	.	H	α-helix	trans	-65.7	-29.1	177.7	-173	172.1	3.7	0	0	112.4	L566 L567 S573 Q574	L566-Q570 VanDerWaalsContact O-CB 3.28Å; L566-Q570 WeakPolarHBondContact O-CB 3.3Å; L566-Q570 PolarHBondContact O-N 2.86Å; L567-Q570 PolarHBondContact O-N 2.81Å; L567-Q570 VanDerWaalsContact O-N 3.14Å; Q570-S573 WeakPolarHBondContact CA-OG 3.37Å; Q570-S573 PolarHBondContact O-OG 3.45Å; Q570-Q574 WeakPolarHBondContact O-CG 3.41Å
571	L	45.2	Very low	50.1	Low	26 Å²	26	60.1 Å²	60.1	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-80	-43.6	174.8	-66.6	160.5	0	0	0	110.8	I372 L567 I568 L569 S573 Q574 I577	I372-L571 HydrophobicContact CD1-CB 3.91Å; I372-L571 HydrophobicContact CD1-CD1 3.6Å; I372-L571 HydrophobicContact CD1-CD2 3.71Å; I372-L571 HydrophobicContact CD1-CG 3.92Å; I372-L571 HydrophobicContact CG1-CB 4.07Å; I372-L571 HydrophobicContact CG1-CD1 3.81Å; I372-L571 HydrophobicContact CG1-CG 4.38Å; L567-L571 HydrophobicContact CD2-CD1 3.57Å; L567-L571 HydrophobicContact CG-CD1 3.69Å; L567-L571 HydrophobicContact CG-CG 4.3Å; L567-L571 WeakPolarHBondContact O-CB 3.22Å; L567-L571 VanDerWaalsContact O-CD1 3.3Å; L567-L571 WeakPolarHBondContact O-CD1 3.44Å; L567-L571 WeakPolarHBondContact O-CG 3.48Å; L567-L571 PolarHBondContact O-N 2.8Å; I568-L571 PolarHBondContact O-N 3.03Å; L569-L571 VanDerWaalsContact C-N 3.26Å; L569-L571 PolarHBondContact O-N 2.83Å; L571-S573 PolarHBondContact O-N 3.43Å; L571-Q574 WeakPolarHBondContact O-CB 3.27Å; L571-Q574 PolarHBondContact O-N 3.47Å; L571-Q574 VanDerWaalsContact O-N 3.14Å; L571-I577 VanDerWaalsContact O-CD1 3.26Å; L571-I577 WeakPolarHBondContact O-CD1 3.49Å
572	I	48.3	Very low	48.3	Very low	18 Å²	18	65.5 Å²	65.5	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-35	172.7	-79	170.5	0	0	0	112.4	I568 L569 T581 I584	I568-I572 HydrophobicContact CG2-CD1 3.6Å; I568-I572 HydrophobicContact CG2-CG1 4.39Å; I568-I572 VanDerWaalsContact O-CB 3.27Å; I568-I572 WeakPolarHBondContact O-CB 3.47Å; I568-I572 WeakPolarHBondContact O-CG1 3.3Å; I568-I572 PolarHBondContact O-N 2.77Å; L569-I572 PolarHBondContact O-N 2.76Å; I572-T581 HydrophobicContact CG1-CG2 4.13Å; I572-T581 HydrophobicContact CG2-CG2 4.25Å; I572-T581 PolarHBondContact O-OG1 2.96Å; I572-I584 HydrophobicContact CD1-CB 4.41Å; I572-I584 HydrophobicContact CD1-CD1 4.42Å; I572-I584 HydrophobicContact CD1-CG2 3.8Å
573	S	43.2	Very low	46.9	Very low	64 Å²	64	68.3 Å²	68.3	45%	0.448	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.1	179.8	54.2	0	0	0	0	114.6	L569 Q570 L571	L569-S573 WeakPolarHBondContact O-CB 3.29Å; L569-S573 PolarHBondContact O-N 3.44Å; L569-S573 PolarHBondContact O-OG 3.41Å; Q570-S573 WeakPolarHBondContact CA-OG 3.37Å; Q570-S573 PolarHBondContact O-OG 3.45Å; L571-S573 PolarHBondContact O-N 3.43Å
574	Q	39.5	Very low	45.7	Very low	84 Å²	84	65.8 Å²	65.8	39%	0.393	34%	0.342	S	S	.	.	S	Bend	trans	-68.7	135.2	164	-64.4	-169.3	4	0	0	109.6	Q570 L571 L576 I577 Q578	Q570-Q574 WeakPolarHBondContact O-CG 3.41Å; L571-Q574 WeakPolarHBondContact O-CB 3.27Å; L571-Q574 PolarHBondContact O-N 3.47Å; L571-Q574 VanDerWaalsContact O-N 3.14Å; Q574-L576 PolarHBondContact O-N 3.14Å; Q574-I577 PolarHBondContact O-N 2.78Å; Q574-Q578 PolarHBondContact O-N 2.89Å
575	P	38.1	Very low	44.3	Very low	111 Å²	111	69.5 Å²	69.5	72%	0.721	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.2	-174.4	24.6	-34.6	0	0	0	114.2
576	L	39	Very low	43.1	Very low	158 Å²	158	76.9 Å²	76.9	83%	0.827	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-27	172.2	-73.1	167.2	0	0	0	113.4	Q574	Q574-L576 PolarHBondContact O-N 3.14Å
577	I	36.3	Very low	41.9	Very low	28 Å²	28	77.8 Å²	77.8	14%	0.144	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-29	-177.5	-73.2	165.7	0	0	0	110.9	I372 L376 L571 Q574 K579 Q580 T581	I372-I577 HydrophobicContact CG2-CD1 3.96Å; L376-I577 HydrophobicContact CD1-CG2 3.92Å; L376-I577 HydrophobicContact CD2-CG2 4.31Å; L571-I577 VanDerWaalsContact O-CD1 3.26Å; L571-I577 WeakPolarHBondContact O-CD1 3.49Å; Q574-I577 PolarHBondContact O-N 2.78Å; I577-K579 PolarHBondContact O-N 2.82Å; I577-Q580 PolarHBondContact O-N 3.09Å; I577-T581 HydrophobicContact CG2-CG2 3.4Å; I577-T581 PolarHBondContact O-OG1 2.83Å
578	Q	34	Very low	41.2	Very low	100 Å²	100	77.7 Å²	77.7	47%	0.467	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.9	-176.4	-134.4	170.3	15.2	0	0	115.5	Q574 Q580 T581	Q574-Q578 PolarHBondContact O-N 2.89Å; Q578-Q580 VanDerWaalsContact C-N 3.29Å; Q578-Q580 PolarHBondContact O-N 3.49Å; Q578-T581 WeakPolarHBondContact CA-OG1 3.37Å
579	K	37.4	Very low	40.6	Very low	176 Å²	176	78.9 Å²	78.9	77%	0.765	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.1	173.6	-93.1	-168.8	172.2	-171.8	0	114.9	I577	I577-K579 PolarHBondContact O-N 2.82Å
580	Q	40.2	Very low	40.3	Very low	143 Å²	143	85.9 Å²	85.9	67%	0.668	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-11	-179.6	-73.7	-178.1	-41.4	0	0	114.3	L376 I577 Q578	L376-Q580 HydrophobicContact CD2-CB 3.57Å; L376-Q580 HydrophobicContact CD2-CG 4.48Å; I577-Q580 PolarHBondContact O-N 3.09Å; Q578-Q580 VanDerWaalsContact C-N 3.29Å; Q578-Q580 PolarHBondContact O-N 3.49Å
581	T	37.3	Very low	39.7	Very low	1 Å²	1	85.2 Å²	85.2	1%	0.006	44%	0.441	C	S	.	.			trans	-100.1	1.2	-163.6	49.7	0	0	0	0	116.7	L376 I572 I577 Q578 T583 I584 T585	L376-T581 HydrophobicContact CD1-CG2 4.4Å; L376-T581 HydrophobicContact CD2-CG2 3.91Å; L376-T581 HydrophobicContact CG-CG2 4.29Å; I572-T581 HydrophobicContact CG1-CG2 4.13Å; I572-T581 HydrophobicContact CG2-CG2 4.25Å; I572-T581 PolarHBondContact O-OG1 2.96Å; I577-T581 HydrophobicContact CG2-CG2 3.4Å; I577-T581 PolarHBondContact O-OG1 2.83Å; Q578-T581 WeakPolarHBondContact CA-OG1 3.37Å; T581-T583 PolarHBondContact O-N 3.24Å; T581-I584 HydrophobicContact CG2-CD1 4.18Å; T581-I584 PolarHBondContact O-N 3.04Å; T581-T585 PolarHBondContact O-N 3.49Å; T581-T585 PolarHBondContact O-OG1 3.39Å
582	N	33.7	Very low	39.6	Very low	113 Å²	113	84 Å²	84	60%	0.604	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.4	-179.9	-76.2	-21.3	0	0	0	114	Q586	N582-Q586 WeakPolarHBondContact O-CG 3.37Å
583	T	36.4	Very low	39.7	Very low	88 Å²	88	86.3 Å²	86.3	54%	0.54	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-31.7	173.3	23.1	0	0	0	0	113.8	T581 Q586 L587	T581-T583 PolarHBondContact O-N 3.24Å; T583-Q586 PolarHBondContact O-N 2.77Å; T583-L587 PolarHBondContact O-N 2.95Å
584	I	37.8	Very low	40.1	Very low	24 Å²	24	88.4 Å²	88.4	12%	0.123	45%	0.448	C	S	.	.	H	α-helix	trans	-72.3	-39.1	178.3	-53.8	-178.2	0	0	0	109.9	I572 T581 Q586 L587 L588	I572-I584 HydrophobicContact CD1-CB 4.41Å; I572-I584 HydrophobicContact CD1-CD1 4.42Å; I572-I584 HydrophobicContact CD1-CG2 3.8Å; T581-I584 HydrophobicContact CG2-CD1 4.18Å; T581-I584 PolarHBondContact O-N 3.04Å; I584-Q586 PolarHBondContact O-N 3.32Å; I584-L587 PolarHBondContact O-N 3.34Å; I584-L588 PolarHBondContact O-N 3.04Å
585	T	38.9	Very low	40	Very low	83 Å²	83	86.3 Å²	86.3	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-64.8	-17.7	174.2	-35.8	0	0	0	0	113.2	T581	T581-T585 PolarHBondContact O-N 3.49Å; T581-T585 PolarHBondContact O-OG1 3.39Å
586	Q	40.1	Very low	40.1	Very low	155 Å²	155	81.3 Å²	81.3	72%	0.724	41%	0.405	S	S	*	.	H	α-helix	trans	-89.6	-15.9	172.8	-70.4	173.8	-0.4	0	0	113.5	N582 T583 I584	N582-Q586 WeakPolarHBondContact O-CG 3.37Å; T583-Q586 PolarHBondContact O-N 2.77Å; I584-Q586 PolarHBondContact O-N 3.32Å
587	L	35.6	Very low	40.2	Very low	92 Å²	92	76.9 Å²	76.9	48%	0.482	38%	0.382	S	S	.	.	H	α-helix	trans	-92.3	-21.9	-178	-86	163.3	0	0	0	113.8	T583 I584 S589	T583-L587 PolarHBondContact O-N 2.95Å; I584-L587 PolarHBondContact O-N 3.34Å; L587-S589 PolarHBondContact O-N 2.92Å
588	L	41.5	Very low	40	Very low	20 Å²	20	81.2 Å²	81.2	11%	0.105	40%	0.403	C	S	.	.	S	Bend	trans	-71.1	120.4	164.2	-70.7	164.3	0	0	0	108.1	L565 L569 I584 L592	L565-L588 HydrophobicContact CD1-CD2 4.42Å; L569-L588 HydrophobicContact CD2-CD1 3.84Å; I584-L588 PolarHBondContact O-N 3.04Å; L588-L592 HydrophobicContact CD2-CD2 3.81Å
589	S	45.6	Very low	40.1	Very low	34 Å²	34	78.9 Å²	78.9	24%	0.238	40%	0.396	C	S	.	.			trans	-59.5	145.2	179.9	80.4	0	0	0	0	110.3	D519 L587 D591 L592 L593	D519-S589 VanDerWaalsContact OD1-CB 3.31Å; D519-S589 WeakPolarHBondContact OD1-CB 3.43Å; D519-S589 PolarHBondContact OD1-OG 3.5Å; L587-S589 PolarHBondContact O-N 2.92Å; S589-D591 PolarHBondContact O-N 2.97Å; S589-D591 VanDerWaalsContact O-N 3.12Å; S589-L592 PolarHBondContact O-N 3.24Å; S589-L592 VanDerWaalsContact O-N 3.12Å; S589-L592 WeakPolarHBondContact OG-CB 3.2Å; S589-L592 PolarHBondContact OG-N 3.28Å; S589-L593 PolarHBondContact O-N 2.84Å
590	K	46.9	Very low	40.1	Very low	188 Å²	188	73.6 Å²	73.6	82%	0.817	38%	0.376	S	S	*	.	H	α-helix	trans	-56	-32.7	178.9	-77.1	-175.2	177.9	178.1	0	111.3	K594	K590-K594 VanDerWaalsContact O-CB 3.3Å; K590-K594 WeakPolarHBondContact O-CB 3.37Å; K590-K594 PolarHBondContact O-N 3.18Å
591	D	38.5	Very low	39.9	Very low	84 Å²	84	71.1 Å²	71.1	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-82.5	-28.6	179.9	-62.6	-72.4	0	0	0	113.6	S589 K594 Q595	S589-D591 PolarHBondContact O-N 2.97Å; S589-D591 VanDerWaalsContact O-N 3.12Å; D591-K594 CarbonylContact O-C 3.39Å; D591-K594 VanDerWaalsContact O-CB 3.3Å; D591-K594 WeakPolarHBondContact O-CB 3.44Å; D591-K594 PolarHBondContact O-N 3.47Å; D591-K594 VanDerWaalsContact OD1-CD 3.23Å; D591-K594 WeakPolarHBondContact OD1-CD 3.47Å; D591-K594 IonicContact OD1-NZ 3.39Å; D591-K594 PolarHBondContact OD1-NZ 3.41Å; D591-Q595 WeakPolarHBondContact O-CG 3.38Å; D591-Q595 PolarHBondContact O-N 3.46Å
592	L	43.2	Very low	39.9	Very low	1 Å²	1	75.7 Å²	75.7	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-70.8	-37.1	169.3	-169.3	143.6	0	0	0	111.1	I515 I518 V541 L565 L588 S589 K594 Q595 I596	I515-L592 HydrophobicContact CG2-CD1 4.35Å; I518-L592 HydrophobicContact CG2-CD1 4.17Å; V541-L592 HydrophobicContact CG2-CD1 3.92Å; V541-L592 HydrophobicContact CG2-CD2 4.15Å; V541-L592 HydrophobicContact CG2-CG 3.89Å; L565-L592 HydrophobicContact CD2-CD2 4.49Å; L588-L592 HydrophobicContact CD2-CD2 3.81Å; S589-L592 PolarHBondContact O-N 3.24Å; S589-L592 VanDerWaalsContact O-N 3.12Å; S589-L592 WeakPolarHBondContact OG-CB 3.2Å; S589-L592 PolarHBondContact OG-N 3.28Å; L592-K594 VanDerWaalsContact C-N 3.28Å; L592-K594 PolarHBondContact O-N 2.85Å; L592-Q595 PolarHBondContact O-N 3.42Å; L592-I596 HydrophobicContact CD2-CD1 3.86Å; L592-I596 WeakPolarHBondContact O-CD1 3.38Å; L592-I596 WeakPolarHBondContact O-CG1 3.46Å; L592-I596 PolarHBondContact O-N 3.49Å; L592-I596 VanDerWaalsContact O-N 3.1Å
593	L	51.2	Low	40	Very low	65 Å²	65	73.7 Å²	73.7	34%	0.34	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-33.9	169	-160.7	72.3	0	0	0	112	S589 N597	S589-L593 PolarHBondContact O-N 2.84Å; L593-N597 WeakPolarHBondContact O-CB 3.37Å; L593-N597 PolarHBondContact O-N 3.13Å; L593-N597 PolarHBondContact O-OD1 2.91Å
594	K	50	Low	40	Very low	108 Å²	108	72.7 Å²	72.7	47%	0.47	37%	0.373	S	S	.	.	H	α-helix	trans	-69.7	-36.3	174.4	-159.3	-172	-160.1	177.9	0	112.3	K590 D591 L592 N597 M598	K590-K594 VanDerWaalsContact O-CB 3.3Å; K590-K594 WeakPolarHBondContact O-CB 3.37Å; K590-K594 PolarHBondContact O-N 3.18Å; D591-K594 CarbonylContact O-C 3.39Å; D591-K594 VanDerWaalsContact O-CB 3.3Å; D591-K594 WeakPolarHBondContact O-CB 3.44Å; D591-K594 PolarHBondContact O-N 3.47Å; D591-K594 VanDerWaalsContact OD1-CD 3.23Å; D591-K594 WeakPolarHBondContact OD1-CD 3.47Å; D591-K594 IonicContact OD1-NZ 3.39Å; D591-K594 PolarHBondContact OD1-NZ 3.41Å; L592-K594 VanDerWaalsContact C-N 3.28Å; L592-K594 PolarHBondContact O-N 2.85Å; K594-N597 PolarHBondContact O-N 2.95Å; K594-M598 HydrophobicContact CG-SD 4.46Å; K594-M598 WeakPolarHBondContact O-CB 3.33Å; K594-M598 VanDerWaalsContact O-CG 3.28Å; K594-M598 WeakPolarHBondContact O-CG 3.37Å; K594-M598 PolarHBondContact O-N 2.78Å
595	Q	38.2	Very low	39.8	Very low	40 Å²	40	76.9 Å²	76.9	19%	0.187	40%	0.396	C	S	.	.	H	α-helix	trans	-66.4	-42.3	173.8	-72.8	170.5	26.3	0	0	111.5	D591 L592 N597 M598 T599	D591-Q595 WeakPolarHBondContact O-CG 3.38Å; D591-Q595 PolarHBondContact O-N 3.46Å; L592-Q595 PolarHBondContact O-N 3.42Å; Q595-N597 VanDerWaalsContact C-N 3.31Å; Q595-N597 PolarHBondContact O-N 3.14Å; Q595-M598 PolarHBondContact O-N 3.19Å; Q595-T599 PolarHBondContact O-N 2.91Å; Q595-T599 VanDerWaalsContact O-N 3.07Å; Q595-T599 PolarHBondContact O-OG1 3.16Å
596	I	40	Very low	39.6	Very low	7 Å²	7	78.6 Å²	78.6	4%	0.036	40%	0.398	C	S	.	.	H	α-helix	trans	-61.1	-41.1	172.3	-64.4	162.6	0	0	0	110.6	I562 L565 L592 T599 N600	I562-I596 HydrophobicContact CD1-CG1 4.09Å; I562-I596 HydrophobicContact CD1-CG2 4.36Å; L565-I596 HydrophobicContact CD2-CD1 3.52Å; L565-I596 HydrophobicContact CD2-CG1 4.36Å; L565-I596 HydrophobicContact CG-CD1 4.41Å; L592-I596 HydrophobicContact CD2-CD1 3.86Å; L592-I596 WeakPolarHBondContact O-CD1 3.38Å; L592-I596 WeakPolarHBondContact O-CG1 3.46Å; L592-I596 PolarHBondContact O-N 3.49Å; L592-I596 VanDerWaalsContact O-N 3.1Å; I596-T599 PolarHBondContact O-OG1 2.98Å; I596-N600 PolarHBondContact O-N 3.31Å; I596-N600 PolarHBondContact O-ND2 2.87Å
597	N	41	Very low	39.3	Very low	65 Å²	65	75.7 Å²	75.7	35%	0.348	39%	0.387	S	S	.	.	H	α-helix	trans	-72.9	-41.9	178.5	-69.3	-9.1	0	0	0	112.4	L593 K594 Q595 T599 N600 D601	L593-N597 WeakPolarHBondContact O-CB 3.37Å; L593-N597 PolarHBondContact O-N 3.13Å; L593-N597 PolarHBondContact O-OD1 2.91Å; K594-N597 PolarHBondContact O-N 2.95Å; Q595-N597 VanDerWaalsContact C-N 3.31Å; Q595-N597 PolarHBondContact O-N 3.14Å; N597-T599 VanDerWaalsContact C-N 3.3Å; N597-T599 PolarHBondContact O-N 2.87Å; N597-N600 CarbonylContact O-C 3.55Å; N597-N600 WeakPolarHBondContact O-CA 3.46Å; N597-N600 WeakPolarHBondContact O-CB 3.36Å; N597-N600 PolarHBondContact O-N 3.17Å; N597-D601 VanDerWaalsContact O-CG 3.26Å; N597-D601 PolarHBondContact O-N 2.8Å
598	M	32.7	Very low	39.3	Very low	118 Å²	118	73.1 Å²	73.1	58%	0.581	37%	0.374	S	S	*	.	H	α-helix	trans	-64.3	-32.3	177.7	-75.6	178.2	64.7	0	0	113.2	K594 Q595 T602	K594-M598 HydrophobicContact CG-SD 4.46Å; K594-M598 WeakPolarHBondContact O-CB 3.33Å; K594-M598 VanDerWaalsContact O-CG 3.28Å; K594-M598 WeakPolarHBondContact O-CG 3.37Å; K594-M598 PolarHBondContact O-N 2.78Å; Q595-M598 PolarHBondContact O-N 3.19Å; M598-T602 PolarHBondContact O-N 2.89Å; M598-T602 VanDerWaalsContact O-N 3.1Å; M598-T602 PolarHBondContact O-OG1 2.9Å
599	T	35.6	Very low	38.9	Very low	52 Å²	52	76.9 Å²	76.9	32%	0.319	40%	0.402	S	S	.	.	H	α-helix	trans	-74.1	-25.9	172.7	47.4	0	0	0	0	112.6	Q595 I596 N597 I603	Q595-T599 PolarHBondContact O-N 2.91Å; Q595-T599 VanDerWaalsContact O-N 3.07Å; Q595-T599 PolarHBondContact O-OG1 3.16Å; I596-T599 PolarHBondContact O-OG1 2.98Å; N597-T599 VanDerWaalsContact C-N 3.3Å; N597-T599 PolarHBondContact O-N 2.87Å; T599-I603 VanDerWaalsContact O-CD1 3.3Å; T599-I603 WeakPolarHBondContact O-CD1 3.42Å; T599-I603 VanDerWaalsContact O-CG1 3.29Å; T599-I603 WeakPolarHBondContact O-CG1 3.28Å
600	N	37.9	Very low	38.4	Very low	65 Å²	65	79.1 Å²	79.1	35%	0.348	42%	0.418	S	S	.	.	H	α-helix	trans	-76.8	-47.2	167.6	-70.8	-38.7	0	0	0	111.9	I596 N597 T602 I603 E604	I596-N600 PolarHBondContact O-N 3.31Å; I596-N600 PolarHBondContact O-ND2 2.87Å; N597-N600 CarbonylContact O-C 3.55Å; N597-N600 WeakPolarHBondContact O-CA 3.46Å; N597-N600 WeakPolarHBondContact O-CB 3.36Å; N597-N600 PolarHBondContact O-N 3.17Å; N600-T602 VanDerWaalsContact C-N 3.33Å; N600-T602 PolarHBondContact O-N 2.93Å; N600-I603 CarbonylContact O-C 3.54Å; N600-I603 WeakPolarHBondContact O-CA 3.21Å; N600-I603 PolarHBondContact O-N 3.13Å; N600-E604 WeakPolarHBondContact O-CB 3.36Å; N600-E604 PolarHBondContact O-N 3.12Å
601	D	35.6	Very low	37.8	Very low	90 Å²	90	77 Å²	77	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-57.1	-43.9	-179.4	-68.6	-32.9	0	0	0	111.3	N597 I603 E604 D605	N597-D601 VanDerWaalsContact O-CG 3.26Å; N597-D601 PolarHBondContact O-N 2.8Å; D601-I603 VanDerWaalsContact C-N 3.26Å; D601-I603 PolarHBondContact O-N 3.39Å; D601-E604 PolarHBondContact O-N 2.86Å; D601-D605 WeakPolarHBondContact O-CB 3.24Å; D601-D605 PolarHBondContact O-N 3.24Å
602	T	37	Very low	37.5	Very low	98 Å²	98	81 Å²	81	60%	0.601	42%	0.422	S	S	*	.	H	α-helix	trans	-68.7	-19.7	176	45	0	0	0	0	114.2	M598 N600	M598-T602 PolarHBondContact O-N 2.89Å; M598-T602 VanDerWaalsContact O-N 3.1Å; M598-T602 PolarHBondContact O-OG1 2.9Å; N600-T602 VanDerWaalsContact C-N 3.33Å; N600-T602 PolarHBondContact O-N 2.93Å
603	I	35.6	Very low	36.7	Very low	71 Å²	71	93 Å²	93	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-88.6	-33.8	171.9	-68.5	174	0	0	0	110.8	T599 N600 D601 L607	T599-I603 VanDerWaalsContact O-CD1 3.3Å; T599-I603 WeakPolarHBondContact O-CD1 3.42Å; T599-I603 VanDerWaalsContact O-CG1 3.29Å; T599-I603 WeakPolarHBondContact O-CG1 3.28Å; N600-I603 CarbonylContact O-C 3.54Å; N600-I603 WeakPolarHBondContact O-CA 3.21Å; N600-I603 PolarHBondContact O-N 3.13Å; D601-I603 VanDerWaalsContact C-N 3.26Å; D601-I603 PolarHBondContact O-N 3.39Å; I603-L607 HydrophobicContact CG2-CD1 4.11Å; I603-L607 WeakPolarHBondContact O-CD1 3.49Å; I603-L607 WeakPolarHBondContact O-CG 3.39Å; I603-L607 PolarHBondContact O-N 2.95Å
604	E	36.3	Very low	35.6	Very low	67 Å²	67	98.6 Å²	98.6	31%	0.313	49%	0.489	S	S	.	.	H	α-helix	trans	-81.5	-32.4	-178.3	-73.8	-150.6	175.2	0	0	113.7	Y234 N600 D601 L607 N608	Y234-E604 WeakPolarHBondContact CE1-OE2 3.31Å; N600-E604 WeakPolarHBondContact O-CB 3.36Å; N600-E604 PolarHBondContact O-N 3.12Å; D601-E604 PolarHBondContact O-N 2.86Å; E604-L607 CarbonylContact O-C 3.5Å; E604-L607 PolarHBondContact O-N 2.93Å; E604-L607 VanDerWaalsContact O-N 3.15Å; E604-N608 WeakPolarHBondContact O-CB 3.45Å; E604-N608 PolarHBondContact O-N 2.97Å; E604-N608 PolarHBondContact O-ND2 3.22Å
605	D	34.1	Very low	34.5	Very low	111 Å²	111	98.3 Å²	98.3	59%	0.594	50%	0.5	S	S	*	.	H	α-helix	trans	-69.5	-35.7	175.6	-88.8	-23.7	0	0	0	112.1	D601 L607 S609	D601-D605 WeakPolarHBondContact O-CB 3.24Å; D601-D605 PolarHBondContact O-N 3.24Å; D605-L607 VanDerWaalsContact C-N 3.3Å; D605-L607 PolarHBondContact O-N 3.12Å; D605-S609 VanDerWaalsContact O-CB 3.28Å; D605-S609 WeakPolarHBondContact O-CB 3.24Å; D605-S609 PolarHBondContact O-N 3.14Å; D605-S609 VanDerWaalsContact O-N 3.14Å; D605-S609 PolarHBondContact O-OG 2.75Å
606	E	34.9	Very low	34	Very low	119 Å²	119	107.9 Å²	107.9	56%	0.556	54%	0.536	S	S	*	.	H	α-helix	trans	-62.8	-36.2	168	-74.6	-153.1	139.1	0	0	111.8	Q76	Q76-E606 PolarHBondContact NE2-OE1 3.04Å; Q76-E606 PolarHBondContact NE2-OE2 3.38Å
607	L	33.7	Very low	33.2	Very low	95 Å²	95	110.3 Å²	110.3	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-83.9	-26.2	-178	-81.1	168.1	0	0	0	114.9	I603 E604 D605	I603-L607 HydrophobicContact CG2-CD1 4.11Å; I603-L607 WeakPolarHBondContact O-CD1 3.49Å; I603-L607 WeakPolarHBondContact O-CG 3.39Å; I603-L607 PolarHBondContact O-N 2.95Å; E604-L607 CarbonylContact O-C 3.5Å; E604-L607 PolarHBondContact O-N 2.93Å; E604-L607 VanDerWaalsContact O-N 3.15Å; D605-L607 VanDerWaalsContact C-N 3.3Å; D605-L607 PolarHBondContact O-N 3.12Å
608	N	35.1	Very low	32.5	Very low	38 Å²	38	118 Å²	118	20%	0.203	59%	0.589	C	S	.	*	H	α-helix	trans	-89.2	-31	-179.1	-80	-57.5	0	0	0	112.4	Y234 E604 S610 K611	Y234-N608 PolarHBondContact OH-ND2 2.91Å; E604-N608 WeakPolarHBondContact O-CB 3.45Å; E604-N608 PolarHBondContact O-N 2.97Å; E604-N608 PolarHBondContact O-ND2 3.22Å; N608-S610 PolarHBondContact O-N 2.86Å; N608-K611 PolarHBondContact O-N 3.04Å
609	S	33.8	Very low	32	Very low	99 Å²	99	118.5 Å²	118.5	69%	0.692	59%	0.594	S	S	*	*	H	α-helix	trans	-54.7	-35.5	174.1	-67	0	0	0	0	112.3	D605 K611	D605-S609 VanDerWaalsContact O-CB 3.28Å; D605-S609 WeakPolarHBondContact O-CB 3.24Å; D605-S609 PolarHBondContact O-N 3.14Å; D605-S609 VanDerWaalsContact O-N 3.14Å; D605-S609 PolarHBondContact O-OG 2.75Å; S609-K611 VanDerWaalsContact C-N 3.35Å; S609-K611 PolarHBondContact O-N 3.15Å
610	S	34.3	Very low	31.5	Very low	81 Å²	81	120.3 Å²	120.3	57%	0.566	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	1.4	178.9	-47.6	0	0	0	0	115.5	N608	N608-S610 PolarHBondContact O-N 2.86Å
611	K	34.8	Very low	30.9	Very low	144 Å²	144	126 Å²	126	63%	0.626	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	-0.2	-171.6	-73.4	175.5	-177.4	164	0	116	N608 S609	N608-K611 PolarHBondContact O-N 3.04Å; S609-K611 VanDerWaalsContact C-N 3.35Å; S609-K611 PolarHBondContact O-N 3.15Å
612	K	31.9	Very low	30.4	Very low	168 Å²	168	130 Å²	130	73%	0.73	65%	0.649	S	S	*	*			trans	-112.2	57.9	179.1	-73.3	179.4	-176.9	161.4	0	114.5
613	R	26.4	Very low	29.9	Very low	251 Å²	251	132.4 Å²	132.4	95%	0.947	66%	0.657	S	S	*	*			trans	-131.9	92.8	149.8	-73.4	-168.4	-178.1	-178.3	2.5	109
614	K	29.4	Very low	29.5	Very low	184 Å²	184	135 Å²	135	80%	0.8	68%	0.675	S	S	*	*			trans	-125.4	126.4	177	-95.1	-169.8	173.9	-175.2	0	110.6
615	S	26	Very low	29	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	70%	0.698	S	S	*	*			trans	34.7	103.5	146.7	60.3	0	0	0	0	118.9
616	Y	27.3	Very low	28.7	Very low	241 Å²	241	135.2 Å²	135.2	95%	0.945	70%	0.704	S	S	*	*				-122.4	147.2	127	-88.9	-88.6	0	0	0	108.2
617	G	24.4	Very low	28.5	Very low	58 Å²	58	139 Å²	139	60%	0.598	72%	0.722	S	S	*	*			trans	-122.2	-161.9	177	0	0	0	0	0	111.2
618	Y	25.5	Very low	28.1	Very low	225 Å²	225	141.7 Å²	141.7	88%	0.882	74%	0.736	S	S	*	*			trans	73.5	137	-165.9	-62	-86.1	0	0	0	113.8
619	N	23.5	Very low	27.8	Very low	130 Å²	130	145 Å²	145	70%	0.695	76%	0.761	S	S	*	*			cis	-164.5	157	-22.2	-135.7	26.7	0	0	0	112
620	S	23.1	Very low	27.4	Very low	90 Å²	90	145.9 Å²	145.9	63%	0.629	76%	0.758	S	S	*	*			trans	59.8	160.4	151.5	48.1	0	0	0	0	122.1
621	E	26.6	Very low	27.3	Very low	183 Å²	183	149.7 Å²	149.7	86%	0.855	77%	0.77	S	S	*	*			trans	69.8	109.3	172.2	-65.5	167.2	-142.1	0	0	115.5
622	E	24.8	Very low	27	Very low	176 Å²	176	148.4 Å²	148.4	82%	0.822	77%	0.77	S	S	*	*			cis	119.1	159.1	20.8	-168.1	179.2	-114.7	0	0	109.4
623	I	25.5	Very low	26.8	Very low	148 Å²	148	146.7 Å²	146.7	76%	0.759	77%	0.769	S	S	*	*			trans	76.4	132.1	171.9	-52.4	-177.9	0	0	0	115.6
624	V	27.4	Very low	26.9	Very low	124 Å²	124	145 Å²	145	75%	0.752	77%	0.769	S	S	*	*			cis	-156.1	153.9	-18.3	120.5	0	0	0	0	110.8
625	S	26.2	Very low	26.8	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	77%	0.77	S	S	*	*			trans	10.2	125.9	161.4	-50.2	0	0	0	0	123.3
626	G	28.5	Very low	27.1	Very low	70 Å²	70	145.7 Å²	145.7	72%	0.722	77%	0.774	S	S	*	*				116.8	116.1	95.5	0	0	0	0	0	120.3
627	Q	30.5	Very low	27	Very low	200 Å²	200	146 Å²	146	94%	0.935	77%	0.773	S	S	*	*				-170.4	153.1	117.6	-101.9	170.1	4.1	0	0	112.3
628	L	25.6	Very low	27	Very low	151 Å²	151	151.4 Å²	151.4	79%	0.791	79%	0.788	S	S	*	*			trans	-91.3	172.5	177.5	-91.7	90	0	0	0	110.1
629	C	28	Very low	27	Very low	108 Å²	108	146.8 Å²	146.8	73%	0.73	79%	0.788	S	S	*	*			cis	-150.9	153	38.1	-50.6	0	0	0	0	115.5
630	D	26	Very low	26.9	Very low	117 Å²	117	145.5 Å²	145.5	63%	0.626	79%	0.789	S	S	*	*			trans	38.7	142.7	133.8	-59.2	-48.1	0	0	0	121.1
631	I	31.2	Very low	27.3	Very low	160 Å²	160	150.1 Å²	150.1	82%	0.821	80%	0.801	S	S	*	*			cis	-136	144.6	42.8	-68.5	168.5	0	0	0	114
632	N	28.8	Very low	27.3	Very low	117 Å²	117	146 Å²	146	63%	0.626	79%	0.792	S	S	*	*			trans	-38.2	136.4	175.9	-70.5	-72.6	0	0	0	117.4
633	N	27.5	Very low	27.5	Very low	133 Å²	133	145.9 Å²	145.9	71%	0.711	79%	0.792	S	S	*	*				68.2	120.8	64.2	-91.2	-35.9	0	0	0	116.4
634	K	29.7	Very low	27.8	Very low	216 Å²	216	145 Å²	145	94%	0.939	79%	0.788	S	S	*	*			trans	-161.6	145	132.6	-110.1	163.1	-172.2	175.6	0	112.3
635	Q	27.7	Very low	28	Very low	177 Å²	177	146.3 Å²	146.3	83%	0.827	79%	0.79	S	S	*	*			trans	-111	164.9	-171.1	-80.4	-176.9	-19.2	0	0	112.6
636	P	30.3	Very low	28.2	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	78%	0.783	S	S	*	*			trans	-83	149.2	177.8	33.7	-36.2	0	0	0	113.8
637	R	27	Very low	28.5	Very low	249 Å²	249	148.3 Å²	148.3	94%	0.94	79%	0.789	S	S	*	*			trans	-162.6	160	158.8	-124.8	172.8	179.7	168.3	-0.3	113.9
638	L	23.4	Very low	28.6	Very low	171 Å²	171	147.2 Å²	147.2	90%	0.895	78%	0.781	S	S	*	*			trans	-74.5	144.5	175.6	-87.2	57.2	0	0	0	112.8
639	S	25	Very low	28.9	Very low	127 Å²	127	144.6 Å²	144.6	89%	0.888	78%	0.776	S	S	*	*			trans	-171.4	168.5	134.6	55.3	0	0	0	0	110.9
640	S	23.2	Very low	29.1	Very low	104 Å²	104	147.5 Å²	147.5	73%	0.727	78%	0.778	S	S	*	*			trans	-145.8	134.2	-170	57.1	0	0	0	0	113.3
641	Q	30.1	Very low	29.1	Very low	186 Å²	186	146.5 Å²	146.5	87%	0.869	78%	0.779	S	S	*	*			trans	177.8	120.6	154.6	-102.8	156.1	-1.7	0	0	108.8
642	S	26.3	Very low	29.1	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	77%	0.774	S	S	*	*				61.7	119.5	99.8	69.7	0	0	0	0	113.9
643	E	29.5	Very low	29.1	Very low	174 Å²	174	145.2 Å²	145.2	81%	0.813	78%	0.778	S	S	*	*				174.7	168.7	83.5	-89.1	-175.5	179.3	0	0	108.8
644	L	31	Very low	29.4	Very low	131 Å²	131	147 Å²	147	69%	0.686	79%	0.788	S	S	*	*			cis	-167.2	163.1	-28.3	-163.7	71	0	0	0	108.2
645	N	31.8	Very low	29.4	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	78%	0.779	S	S	*	*			trans	71.8	136	166.6	-56.8	-44.1	0	0	0	119.3
646	G	31.3	Very low	29.6	Very low	62 Å²	62	143 Å²	143	64%	0.639	78%	0.779	S	S	*	*			cis	164.1	-176.7	-10.4	0	0	0	0	0	115
647	I	34.2	Very low	29.7	Very low	163 Å²	163	143.8 Å²	143.8	84%	0.836	78%	0.777	S	S	*	*			trans	75	124.7	160.3	-60.6	173.1	0	0	0	114.9
648	K	32.1	Very low	29.8	Very low	177 Å²	177	136.8 Å²	136.8	77%	0.77	77%	0.766	S	S	*	*			cis	-163.3	148.6	5	-133.2	177	-166.3	172.9	0	112.7
649	S	32.7	Very low	30	Very low	97 Å²	97	136.4 Å²	136.4	68%	0.678	76%	0.764	S	S	*	*			trans	53	151.7	145.6	55.3	0	0	0	0	121.8
650	H	31.4	Very low	30.1	Very low	168 Å²	168	134.7 Å²	134.7	78%	0.778	75%	0.752	S	S	*	*			cis	-152.4	157.6	6.1	-130.2	-66.4	0	0	0	111.2
651	C	27	Very low	30.4	Very low	97 Å²	97	137.6 Å²	137.6	66%	0.655	76%	0.759	S	S	*	*			trans	3	155.4	151.5	-63.3	0	0	0	0	122.1
652	T	31.8	Very low	30.4	Very low	117 Å²	117	137.4 Å²	137.4	72%	0.718	76%	0.755	S	S	*	*			cis	-154.9	158.5	13.6	-11.3	0	0	0	0	113.2
653	N	27.7	Very low	30.5	Very low	132 Å²	132	140.7 Å²	140.7	71%	0.706	76%	0.764	S	S	*	*			trans	-12.1	136.5	159	-48.7	-9.2	0	0	0	118.3
654	D	33.3	Very low	30.6	Very low	172 Å²	172	140.3 Å²	140.3	92%	0.92	77%	0.768	S	S	*	*				-140.8	133.1	111.9	-110.9	-31.9	0	0	0	110
655	N	30	Very low	30.7	Very low	140 Å²	140	137.3 Å²	137.3	75%	0.749	75%	0.753	S	S	*	*			trans	-114.4	113.3	-172.8	-101.7	-16.8	0	0	0	110.1
656	M	32.5	Very low	30.5	Very low	169 Å²	169	136 Å²	136	83%	0.833	75%	0.753	S	S	*	*			trans	-146.6	99.7	152	-85.4	-53.2	163.5	0	0	112.7
657	N	32.8	Very low	30.4	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	76%	0.76	S	S	*	*			trans	49.2	104.8	132.8	-59.3	-12.6	0	0	0	120.7
658	S	28.2	Very low	30.3	Very low	101 Å²	101	139.1 Å²	139.1	71%	0.706	76%	0.756	S	S	*	*				58.6	82.5	122	-170.3	0	0	0	0	118.8	S660	S658-S660 VanDerWaalsContact C-N 3.3Å; S658-S660 PolarHBondContact O-N 3.46Å
659	L	27.9	Very low	30.2	Very low	164 Å²	164	139.9 Å²	139.9	86%	0.859	76%	0.759	S	S	*	*			trans	-76.4	80.6	157.4	-122.4	78.5	0	0	0	111	D661	L659-D661 PolarHBondContact O-N 3.39Å
660	S	27.2	Very low	30	Very low	91 Å²	91	145.7 Å²	145.7	64%	0.636	77%	0.766	S	S	*	*			trans	-79.7	96.2	166.9	52.1	0	0	0	0	110.1	S658	S658-S660 VanDerWaalsContact C-N 3.3Å; S658-S660 PolarHBondContact O-N 3.46Å
661	D	29.5	Very low	29.9	Very low	164 Å²	164	146.2 Å²	146.2	88%	0.877	77%	0.766	S	S	*	*			trans	-176.3	78.6	158.4	-101.2	-19	0	0	0	110.3	L659	L659-D661 PolarHBondContact O-N 3.39Å
662	K	30.4	Very low	30	Very low	183 Å²	183	146.9 Å²	146.9	80%	0.796	77%	0.77	S	S	*	*			trans	-141.4	27.2	-175.6	-74.4	-168.5	178.5	171.7	0	115.7
663	L	29	Very low	29.8	Very low	164 Å²	164	149.4 Å²	149.4	86%	0.859	78%	0.778	S	S	*	*	S	Bend	trans	-135.1	74.4	166.9	-74	178.3	0	0	0	110.6
664	N	31	Very low	29.9	Very low	166 Å²	166	149.8 Å²	149.8	89%	0.888	78%	0.779	S	S	*	*			trans	-159.5	149.5	165.8	-107.5	-38.9	0	0	0	112.6
665	D	31.8	Very low	29.8	Very low	69 Å²	69	149 Å²	149	37%	0.369	77%	0.769	S	S	.	*			trans	61.1	88.7	159.8	-162.4	5.6	0	0	0	120	C667 K668	D665-C667 VanDerWaalsContact C-N 3.26Å; D665-C667 PolarHBondContact O-N 2.79Å; D665-C667 WeakPolarHBondContact OD1-CA 3.28Å; D665-C667 VanDerWaalsContact OD1-CB 3.24Å; D665-C667 WeakPolarHBondContact OD1-CB 3.45Å; D665-C667 PolarHBondContact OD1-N 2.7Å; D665-K668 WeakPolarHBondContact OD2-CD 3.47Å; D665-K668 WeakPolarHBondContact OD2-CG 3.04Å; D665-K668 IonicContact OD2-NZ 2.74Å; D665-K668 PolarHBondContact OD2-NZ 3.26Å
666	P	28.2	Very low	29.8	Very low	123 Å²	123	150.4 Å²	150.4	80%	0.799	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-68	-16.5	164.6	-19	33.1	0	0	0	114.9	K668	P666-K668 VanDerWaalsContact C-N 3.3Å; P666-K668 PolarHBondContact O-N 2.6Å
667	C	29.6	Very low	29.6	Very low	118 Å²	118	152.5 Å²	152.5	80%	0.797	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-82	2.5	-166.4	-64.1	0	0	0	0	114.7	D665	D665-C667 VanDerWaalsContact C-N 3.26Å; D665-C667 PolarHBondContact O-N 2.79Å; D665-C667 WeakPolarHBondContact OD1-CA 3.28Å; D665-C667 VanDerWaalsContact OD1-CB 3.24Å; D665-C667 WeakPolarHBondContact OD1-CB 3.45Å; D665-C667 PolarHBondContact OD1-N 2.7Å
668	K	32.4	Very low	29.6	Very low	171 Å²	171	155 Å²	155	74%	0.743	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-120.6	38.8	-177.6	-64.8	-168	-174.1	86.1	0	115.6	D665 P666	D665-K668 WeakPolarHBondContact OD2-CD 3.47Å; D665-K668 WeakPolarHBondContact OD2-CG 3.04Å; D665-K668 IonicContact OD2-NZ 2.74Å; D665-K668 PolarHBondContact OD2-NZ 3.26Å; P666-K668 VanDerWaalsContact C-N 3.3Å; P666-K668 PolarHBondContact O-N 2.6Å
669	K	30.4	Very low	30	Very low	193 Å²	193	153.9 Å²	153.9	84%	0.839	77%	0.766	S	S	*	*			trans	-135.6	7.2	173	-120.6	166.6	-170.7	168.3	0	119.5	K671	K669-K671 PolarHBondContact O-N 2.83Å
670	W	28.4	Very low	30.4	Very low	219 Å²	219	151.9 Å²	151.9	83%	0.83	76%	0.763	S	S	*	*			trans	-87.3	81.9	163	-71.7	92	0	0	0	110.8	F145 P672	F145-W670 HydrophobicContact CE2-CZ2 4.35Å; F145-W670 AromaticContact CZ-CZ2 3.95Å; F145-W670 HydrophobicContact CZ-CZ2 3.95Å; W670-P672 WeakPolarHBondContact O-CD 3.48Å
671	K	29.2	Very low	31.1	Very low	179 Å²	179	154.6 Å²	154.6	78%	0.778	77%	0.77	S	S	*	*			trans	-61.3	128.9	160.3	-73.9	-175.3	177.7	-179.3	0	107.6	K669 L673	K669-K671 PolarHBondContact O-N 2.83Å; K671-L673 PolarHBondContact O-N 3.42Å
672	P	28.5	Very low	32.6	Very low	112 Å²	112	156.1 Å²	156.1	73%	0.727	77%	0.769	S	S	*	*			trans	-61.2	106.3	177.4	-24.7	34.8	0	0	0	111.1	W670 I674	W670-P672 WeakPolarHBondContact O-CD 3.48Å; P672-I674 CarbonylContact O-C 3.59Å; P672-I674 PolarHBondContact O-N 2.76Å
673	L	26.9	Very low	34.4	Very low	169 Å²	169	155.3 Å²	155.3	89%	0.885	76%	0.761	S	S	*	*			trans	-79.6	10.5	168.8	-73.7	178.8	0	0	0	112.7	K671 Q675	K671-L673 PolarHBondContact O-N 3.42Å; L673-Q675 VanDerWaalsContact C-N 3.26Å; L673-Q675 PolarHBondContact O-N 3.39Å
674	I	31.5	Very low	37.1	Very low	141 Å²	141	150.9 Å²	150.9	72%	0.723	74%	0.738	S	S	*	*			trans	-75.8	90	145.9	-55.4	177.8	0	0	0	106.6	P672 H676	P672-I674 CarbonylContact O-C 3.59Å; P672-I674 PolarHBondContact O-N 2.76Å; I674-H676 PolarHBondContact O-N 3.42Å
675	Q	30.3	Very low	39.9	Very low	154 Å²	154	147.1 Å²	147.1	72%	0.72	72%	0.717	S	S	*	*			trans	-56.2	110	152.5	-74.8	-176.3	-5.9	0	0	106.5	L673 R677	L673-Q675 VanDerWaalsContact C-N 3.26Å; L673-Q675 PolarHBondContact O-N 3.39Å; Q675-R677 PolarHBondContact O-N 3.39Å
676	H	30.2	Very low	42.8	Very low	170 Å²	170	144.2 Å²	144.2	79%	0.787	70%	0.702	S	S	*	*			trans	-55.6	97	153.2	-107.8	-75.3	0	0	0	105.8	I674 K678	I674-H676 PolarHBondContact O-N 3.42Å; H676-K678 PolarHBondContact O-N 2.76Å
677	R	28.6	Very low	45.8	Very low	213 Å²	213	142 Å²	142	80%	0.804	68%	0.683	S	S	*	*			trans	-62.7	92.1	161.2	-77.4	-173.2	177.7	174.3	2	105.1	Q675 S679	Q675-R677 PolarHBondContact O-N 3.39Å; R677-S679 PolarHBondContact O-N 3.16Å
678	K	32.5	Very low	48.8	Very low	191 Å²	191	140.5 Å²	140.5	83%	0.83	67%	0.667	S	S	*	*			trans	-62.9	70.9	154	-66.1	-178.4	179.9	-179.9	0	106.5	H676	H676-K678 PolarHBondContact O-N 2.76Å
679	S	35.8	Very low	51.6	Low	78 Å²	78	133.7 Å²	133.7	55%	0.545	64%	0.641	S	S	.	*			trans	-49.8	130.8	154.2	41.2	0	0	0	0	105.7	R677 N681	R677-S679 PolarHBondContact O-N 3.16Å; S679-N681 PolarHBondContact O-N 3.08Å; S679-N681 VanDerWaalsContact O-N 3.08Å
680	P	36.9	Very low	54.3	Low	121 Å²	121	130.1 Å²	130.1	79%	0.786	64%	0.637	S	S	*	*			trans	-57.2	124.5	174.6	24.3	-32.3	0	0	0	106.6	K682	P680-K682 PolarHBondContact O-N 2.67Å
681	N	41.4	Very low	57	Low	148 Å²	148	125.9 Å²	125.9	79%	0.791	62%	0.621	S	S	*	*			trans	-67.5	75.2	-170.8	-96.6	-29.4	0	0	0	111.1	S679 R683	S679-N681 PolarHBondContact O-N 3.08Å; S679-N681 VanDerWaalsContact O-N 3.08Å; N681-R683 PolarHBondContact O-N 3.05Å
682	K	62.4	Low	59.6	Low	196 Å²	196	121.2 Å²	121.2	85%	0.852	60%	0.602	S	S	*	*			trans	-71.4	78	165.2	-171.2	-179.9	-177.8	-176.4	0	106.5	P680 I684	P680-K682 PolarHBondContact O-N 2.67Å; K682-I684 PolarHBondContact O-N 3.41Å
683	R	68.5	Low	62.5	Low	167 Å²	167	116.6 Å²	116.6	63%	0.63	57%	0.571	S	S	*	*			trans	-45.4	122.3	-177.1	-71.1	-177.8	-81.2	-167.3	-4.6	109.1	N681 L685	N681-R683 PolarHBondContact O-N 3.05Å; R683-L685 PolarHBondContact O-N 2.74Å
684	I	83.9	Confident	64.7	Low	71 Å²	71	115.5 Å²	115.5	36%	0.364	56%	0.561	S	S	.	*			trans	-68.1	132.5	-178.3	-53.6	176.1	0	0	0	106.6	K682 H692 L693	K682-I684 PolarHBondContact O-N 3.41Å; I684-H692 CarbonylContact O-C 3.52Å; I684-H692 VanDerWaalsContact O-CA 3.29Å; I684-H692 WeakPolarHBondContact O-CA 3.28Å; I684-L693 HydrophobicContact CB-CB 4.26Å; I684-L693 HydrophobicContact CG2-CB 4.09Å; I684-L693 HydrophobicContact CG2-CD1 4.12Å; I684-L693 PolarHBondContact O-N 3.37Å
685	L	89.7	Confident	66.5	Low	86 Å²	86	111.2 Å²	111.2	45%	0.45	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	153.9	-177	-73.7	166.6	0	0	0	110.3	R683 R691 H692	R683-L685 PolarHBondContact O-N 2.74Å; L685-R691 WeakPolarHBondContact CA-O 3.25Å; L685-H692 VanDerWaalsContact CD2-CD2 3.48Å; L685-H692 WeakPolarHBondContact CD2-CD2 3.11Å
686	C	93.1	Very high	68.4	Low	8 Å²	8	106.1 Å²	106.1	5%	0.054	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134	168.1	179	0	0	0	0	110.5	L688 C689 R691 L693 R708 C710	C686-L688 PolarHBondContact O-N 3.41Å; C686-L688 VanDerWaalsContact O-N 3.14Å; C686-L688 PolarHBondContact SG-N 3.12Å; C686-C689 WeakPolarHBondContact CB-O 3.31Å; C686-C689 PolarHBondContact O-N 2.91Å; C686-C689 VanDerWaalsContact SG-SG 3.64Å; C686-R691 PolarHBondContact N-O 3.39Å; C686-L693 HydrophobicContact CB-CD1 4.49Å; C686-L693 HydrophobicContact CB-CD2 4.07Å; C686-L693 HydrophobicContact CB-CG 4.44Å; C686-R708 WeakPolarHBondContact CA-O 3.47Å; C686-C710 HydrophobicContact CB-CB 4.46Å; C686-C710 PolarHBondContact SG-N 3.11Å; C686-C710 VanDerWaalsContact SG-N 3.41Å
687	N	91.6	Very high	70.6	Confident	77 Å²	77	104.7 Å²	104.7	41%	0.412	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.4	177.3	-65.4	71.5	0	0	0	114.1	E706 R708 F709	N687-E706 VanDerWaalsContact CG-O 3.25Å; N687-E706 PolarHBondContact ND2-O 3.17Å; N687-E706 PolarHBondContact OD1-O 2.8Å; N687-R708 PolarHBondContact N-O 2.85Å; N687-R708 PolarHBondContact OD1-N 3.47Å; N687-R708 PolarHBondContact OD1-O 3.47Å; N687-F709 HydrophobicContact CB-CD1 4.27Å; N687-F709 HydrophobicContact CB-CE1 3.9Å
688	L	92.2	Very high	73.6	Confident	86 Å²	86	96.4 Å²	96.4	45%	0.45	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-8	-177.2	-64.7	174	0	0	0	113.6	C686 F709 C713 P754	C686-L688 PolarHBondContact O-N 3.41Å; C686-L688 VanDerWaalsContact O-N 3.14Å; C686-L688 PolarHBondContact SG-N 3.12Å; L688-F709 HydrophobicContact CD1-CD1 3.64Å; L688-F709 HydrophobicContact CD1-CE1 4.06Å; L688-F709 HydrophobicContact CG-CD1 3.83Å; L688-F709 HydrophobicContact CG-CE1 4.08Å; L688-C713 HydrophobicContact CB-CB 3.97Å; L688-C713 HydrophobicContact CD1-CB 3.96Å; L688-P754 HydrophobicContact CD1-CB 3.91Å
689	C	91.6	Very high	76.4	Confident	29 Å²	29	88 Å²	88	20%	0.196	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	156	174.6	64.5	0	0	0	0	111.5	C686 R691 C710 C713	C686-C689 WeakPolarHBondContact CB-O 3.31Å; C686-C689 PolarHBondContact O-N 2.91Å; C686-C689 VanDerWaalsContact SG-SG 3.64Å; C689-R691 PolarHBondContact O-N 2.82Å; C689-C710 VanDerWaalsContact SG-SG 3.67Å; C689-C713 PolarHBondContact SG-SG 3.02Å
690	P	87.8	Confident	79	Confident	118 Å²	118	87.3 Å²	87.3	77%	0.766	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	22	-177.6	31.7	-38	0	0	0	114.8
691	R	84.6	Confident	81.6	Confident	129 Å²	129	81.6 Å²	81.6	49%	0.487	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.3	176.9	-64.4	-178.4	-173.8	178.4	1.3	110.2	L685 C686 C689	L685-R691 WeakPolarHBondContact CA-O 3.25Å; C686-R691 PolarHBondContact N-O 3.39Å; C689-R691 PolarHBondContact O-N 2.82Å
692	H	84.6	Confident	83.9	Confident	82 Å²	82	76.6 Å²	76.6	38%	0.38	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	150.4	166.4	-55.8	121.2	0	0	0	110.6	I684 L685	I684-H692 CarbonylContact O-C 3.52Å; I684-H692 VanDerWaalsContact O-CA 3.29Å; I684-H692 WeakPolarHBondContact O-CA 3.28Å; L685-H692 VanDerWaalsContact CD2-CD2 3.48Å; L685-H692 WeakPolarHBondContact CD2-CD2 3.11Å
693	L	87.6	Confident	85.1	Confident	14 Å²	14	68.8 Å²	68.8	7%	0.073	36%	0.36	C	S	.	.			trans	-113.2	123.2	175.6	-57.1	-177.8	0	0	0	108.2	I684 C686 F698 R708 C710	I684-L693 HydrophobicContact CB-CB 4.26Å; I684-L693 HydrophobicContact CG2-CB 4.09Å; I684-L693 HydrophobicContact CG2-CD1 4.12Å; I684-L693 PolarHBondContact O-N 3.37Å; C686-L693 HydrophobicContact CB-CD1 4.49Å; C686-L693 HydrophobicContact CB-CD2 4.07Å; C686-L693 HydrophobicContact CB-CG 4.44Å; L693-F698 HydrophobicContact CB-CB 4.25Å; L693-F698 HydrophobicContact CB-CD1 4.05Å; L693-F698 HydrophobicContact CB-CG 4.15Å; L693-F698 HydrophobicContact CD1-CB 3.84Å; L693-F698 HydrophobicContact CD1-CD2 3.96Å; L693-F698 HydrophobicContact CD1-CG 3.89Å; L693-F698 HydrophobicContact CD2-CB 3.93Å; L693-F698 HydrophobicContact CG-CB 4.23Å; L693-F698 HydrophobicContact CG-CG 4.46Å; L693-R708 HydrophobicContact CD1-CB 3.5Å; L693-C710 HydrophobicContact CD2-CB 3.61Å
694	E	73.3	Confident	86.1	Confident	146 Å²	146	62.9 Å²	62.9	68%	0.682	34%	0.341	S	S	*	.			trans	-129.8	144.1	-171	-64	177.8	-173.6	0	0	109.9	H697	E694-H697 PolarHBondContact O-N 2.79Å
695	G	70.5	Confident	86.2	Confident	52 Å²	52	65 Å²	65	54%	0.536	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	-144.8	-174	0	0	0	0	0	113.3	F698	G695-F698 WeakPolarHBondContact O-CE1 2.97Å
696	S	70.2	Confident	86.1	Confident	47 Å²	47	68 Å²	68	33%	0.329	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.7	174.5	54.2	0	0	0	0	113.9	F698	S696-F698 PolarHBondContact O-N 3.31Å
697	H	76.6	Confident	86	Confident	140 Å²	140	68.4 Å²	68.4	65%	0.648	37%	0.365	S	S	*	.			trans	-82.8	48.2	-168.4	-59.7	-59.3	0	0	0	114.3	E694 F711	E694-H697 PolarHBondContact O-N 2.79Å; H697-F711 WeakPolarHBondContact O-CD2 3.07Å
698	F	90.2	Very high	86.1	Confident	38 Å²	38	67.3 Å²	67.3	17%	0.167	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	153	175	67.9	-85	0	0	0	113.1	L693 G695 S696 Q700 R708 F709	L693-F698 HydrophobicContact CB-CB 4.25Å; L693-F698 HydrophobicContact CB-CD1 4.05Å; L693-F698 HydrophobicContact CB-CG 4.15Å; L693-F698 HydrophobicContact CD1-CB 3.84Å; L693-F698 HydrophobicContact CD1-CD2 3.96Å; L693-F698 HydrophobicContact CD1-CG 3.89Å; L693-F698 HydrophobicContact CD2-CB 3.93Å; L693-F698 HydrophobicContact CG-CB 4.23Å; L693-F698 HydrophobicContact CG-CG 4.46Å; G695-F698 WeakPolarHBondContact O-CE1 2.97Å; S696-F698 PolarHBondContact O-N 3.31Å; F698-Q700 HydrophobicContact CD2-CB 4.26Å; F698-Q700 HydrophobicContact CE2-CB 3.89Å; F698-Q700 HydrophobicContact CE2-CG 4.47Å; F698-R708 HydrophobicContact CD2-CB 3.91Å; F698-R708 HydrophobicContact CD2-CG 4.17Å; F698-R708 HydrophobicContact CE2-CB 4.12Å; F698-R708 HydrophobicContact CE2-CG 3.86Å; F698-F709 WeakPolarHBondContact CA-O 3.4Å; F698-F709 WeakPolarHBondContact CB-O 3.2Å
699	V	91.1	Very high	86.2	Confident	16 Å²	16	63.2 Å²	63.2	10%	0.097	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.1	172.5	175.8	0	0	0	0	108.7	R708 F709 A714 F770 I778	V699-R708 CarbonylContact O-C 3.56Å; V699-R708 WeakPolarHBondContact O-CA 3.44Å; V699-F709 HydrophobicContact CB-CB 4.42Å; V699-F709 HydrophobicContact CG1-CD2 4.33Å; V699-F709 PolarHBondContact N-O 2.99Å; V699-F709 PolarHBondContact O-N 2.82Å; V699-A714 HydrophobicContact CB-CB 4.28Å; V699-A714 HydrophobicContact CG2-CB 3.78Å; V699-F770 HydrophobicContact CG1-CE1 3.67Å; V699-F770 HydrophobicContact CG1-CZ 3.92Å; V699-I778 HydrophobicContact CG2-CD1 3.75Å; V699-I778 HydrophobicContact CG2-CG1 4.19Å
700	Q	91.3	Very high	86.2	Confident	63 Å²	63	62.4 Å²	62.4	29%	0.294	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.5	174.9	-174.8	170.2	-46.3	0	0	110.7	F698 P702 R708	F698-Q700 HydrophobicContact CD2-CB 4.26Å; F698-Q700 HydrophobicContact CE2-CB 3.89Å; F698-Q700 HydrophobicContact CE2-CG 4.47Å; Q700-P702 WeakPolarHBondContact O-CD 3.19Å; Q700-R708 HydrophobicContact CG-CG 4.09Å; Q700-R708 VanDerWaalsContact OE1-NH1 3.14Å
701	C	91.8	Very high	86.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.311	C	S	.	.			trans	-67.3	123.7	171.3	-172.4	0	0	0	0	110.2	A703 N704 H707 W768	C701-A703 PolarHBondContact O-N 3.38Å; C701-A703 VanDerWaalsContact O-N 3.15Å; C701-N704 PolarHBondContact O-N 2.8Å; C701-H707 HydrophobicContact CB-CB 3.52Å; C701-H707 PolarHBondContact N-O 3.09Å; C701-W768 HydrophobicContact CB-CE3 4.35Å; C701-W768 HydrophobicContact CB-CZ3 3.98Å
702	P	89.3	Confident	86.7	Confident	44 Å²	44	59.6 Å²	59.6	29%	0.286	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.3	-179.5	-19.6	32.7	0	0	0	114	Q700 L761 W768	Q700-P702 WeakPolarHBondContact O-CD 3.19Å; P702-L761 HydrophobicContact CB-CD2 3.84Å; P702-W768 VanDerWaalsContact CD-CD2 3.45Å; P702-W768 VanDerWaalsContact CD-CE2 3.43Å; P702-W768 HydrophobicContact CG-CD2 4.21Å; P702-W768 HydrophobicContact CG-CG 4.36Å; P702-W768 HydrophobicContact CG-CZ2 4.36Å
703	A	88	Confident	87.2	Confident	32 Å²	32	56.9 Å²	56.9	26%	0.264	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-20.6	-179.8	0	0	0	0	0	114.6	C701 C759 V760 L761	C701-A703 PolarHBondContact O-N 3.38Å; C701-A703 VanDerWaalsContact O-N 3.15Å; A703-C759 HydrophobicContact CB-CB 3.93Å; A703-V760 WeakPolarHBondContact CB-O 3.43Å; A703-L761 HydrophobicContact CB-CD2 4.04Å
704	N	88.4	Confident	87.4	Confident	43 Å²	43	56.2 Å²	56.2	23%	0.23	30%	0.296	C	S	.	.			trans	-138.7	115.1	175.2	-177.1	10.5	0	0	0	111.4	C701 E706 H707	C701-N704 PolarHBondContact O-N 2.8Å; N704-E706 PolarHBondContact O-N 2.91Å; N704-E706 PolarHBondContact OD1-N 3.03Å; N704-H707 HydrophobicContact CB-CB 4.28Å; N704-H707 PolarHBondContact ND2-CD2 3.39Å; N704-H707 PolarHBondContact ND2-ND1 3.38Å; N704-H707 PolarHBondContact O-N 3.04Å
705	L	86.3	Confident	88.3	Confident	116 Å²	116	52.2 Å²	52.2	61%	0.607	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19	180	-57.1	179.2	0	0	0	113.8	R708	L705-R708 PolarHBondContact O-NE 3.4Å; L705-R708 PolarHBondContact O-NH2 2.95Å; L705-R708 VanDerWaalsContact O-NH2 3.11Å
706	E	87.6	Confident	89.3	Confident	149 Å²	149	53.4 Å²	53.4	70%	0.696	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-14	174.5	-60.7	-166.4	136.6	0	0	114	N687 N704	N687-E706 VanDerWaalsContact CG-O 3.25Å; N687-E706 PolarHBondContact ND2-O 3.17Å; N687-E706 PolarHBondContact OD1-O 2.8Å; N704-E706 PolarHBondContact O-N 2.91Å; N704-E706 PolarHBondContact OD1-N 3.03Å
707	H	92.2	Very high	90.4	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.069	27%	0.265	C	S	.	.			trans	-93.6	100.3	-178.5	-71.2	168	0	0	0	110.6	C701 N704 F709 S755 K757 C759	C701-H707 HydrophobicContact CB-CB 3.52Å; C701-H707 PolarHBondContact N-O 3.09Å; N704-H707 HydrophobicContact CB-CB 4.28Å; N704-H707 PolarHBondContact ND2-CD2 3.39Å; N704-H707 PolarHBondContact ND2-ND1 3.38Å; N704-H707 PolarHBondContact O-N 3.04Å; H707-F709 HydrophobicContact CB-CE2 4.04Å; H707-F709 HydrophobicContact CB-CZ 3.88Å; H707-S755 PolarHBondContact CE1-OG 2.88Å; H707-S755 VanDerWaalsContact CE1-OG 3.23Å; H707-S755 PolarHBondContact ND1-OG 3.5Å; H707-K757 WeakPolarHBondContact CE1-CB 3.49Å; H707-K757 WeakPolarHBondContact CE1-CD 3.2Å; H707-K757 VanDerWaalsContact CE1-CG 3.48Å; H707-K757 WeakPolarHBondContact CE1-CG 3.35Å; H707-K757 WeakPolarHBondContact NE2-CE 3.3Å; H707-K757 PolarHBondContact NE2-NZ 2.95Å; H707-C759 PolarHBondContact CE1-SG 3.25Å; H707-C759 PolarHBondContact ND1-SG 3.23Å; H707-C759 VanDerWaalsContact ND1-SG 3.39Å
708	R	92.4	Very high	91.1	Very high	55 Å²	55	46.5 Å²	46.5	21%	0.208	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.7	-176.7	-57.1	178.6	-172.8	-128.5	-1.5	110.4	C686 N687 L693 F698 V699 Q700 L705	C686-R708 WeakPolarHBondContact CA-O 3.47Å; N687-R708 PolarHBondContact N-O 2.85Å; N687-R708 PolarHBondContact OD1-N 3.47Å; N687-R708 PolarHBondContact OD1-O 3.47Å; L693-R708 HydrophobicContact CD1-CB 3.5Å; F698-R708 HydrophobicContact CD2-CB 3.91Å; F698-R708 HydrophobicContact CD2-CG 4.17Å; F698-R708 HydrophobicContact CE2-CB 4.12Å; F698-R708 HydrophobicContact CE2-CG 3.86Å; V699-R708 CarbonylContact O-C 3.56Å; V699-R708 WeakPolarHBondContact O-CA 3.44Å; Q700-R708 HydrophobicContact CG-CG 4.09Å; Q700-R708 VanDerWaalsContact OE1-NH1 3.14Å; L705-R708 PolarHBondContact O-NE 3.4Å; L705-R708 PolarHBondContact O-NH2 2.95Å; L705-R708 VanDerWaalsContact O-NH2 3.11Å
709	F	94.1	Very high	91	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.8	-171.1	-43.9	-80	0	0	0	110.2	N687 L688 F698 V699 H707 A714 P754	N687-F709 HydrophobicContact CB-CD1 4.27Å; N687-F709 HydrophobicContact CB-CE1 3.9Å; L688-F709 HydrophobicContact CD1-CD1 3.64Å; L688-F709 HydrophobicContact CD1-CE1 4.06Å; L688-F709 HydrophobicContact CG-CD1 3.83Å; L688-F709 HydrophobicContact CG-CE1 4.08Å; F698-F709 WeakPolarHBondContact CA-O 3.4Å; F698-F709 WeakPolarHBondContact CB-O 3.2Å; V699-F709 HydrophobicContact CB-CB 4.42Å; V699-F709 HydrophobicContact CG1-CD2 4.33Å; V699-F709 PolarHBondContact N-O 2.99Å; V699-F709 PolarHBondContact O-N 2.82Å; H707-F709 HydrophobicContact CB-CE2 4.04Å; H707-F709 HydrophobicContact CB-CZ 3.88Å; F709-A714 HydrophobicContact CB-CB 4.5Å; F709-P754 HydrophobicContact CD1-CB 3.88Å; F709-P754 HydrophobicContact CD1-CG 4.49Å; F709-P754 HydrophobicContact CD2-CB 4.15Å; F709-P754 HydrophobicContact CD2-CG 3.89Å; F709-P754 HydrophobicContact CE1-CB 3.86Å; F709-P754 HydrophobicContact CE2-CB 4.15Å; F709-P754 HydrophobicContact CE2-CG 4.03Å; F709-P754 HydrophobicContact CG-CB 4.01Å; F709-P754 HydrophobicContact CG-CG 4.13Å; F709-P754 HydrophobicContact CZ-CB 4Å; F709-P754 HydrophobicContact CZ-CG 4.37Å
710	C	92.7	Very high	90.8	Very high	12 Å²	12	49.6 Å²	49.6	8%	0.081	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	150.7	169.4	67.4	0	0	0	0	109.7	C686 C689 L693 Q712 C713 A714	C686-C710 HydrophobicContact CB-CB 4.46Å; C686-C710 PolarHBondContact SG-N 3.11Å; C686-C710 VanDerWaalsContact SG-N 3.41Å; C689-C710 VanDerWaalsContact SG-SG 3.67Å; L693-C710 HydrophobicContact CD2-CB 3.61Å; C710-Q712 PolarHBondContact O-N 3.16Å; C710-Q712 VanDerWaalsContact O-N 3.07Å; C710-C713 PolarHBondContact O-N 3.08Å; C710-A714 PolarHBondContact O-N 3.33Å; C710-A714 VanDerWaalsContact O-N 3.09Å
711	F	92.4	Very high	90.6	Very high	91 Å²	91	48.4 Å²	48.4	40%	0.399	25%	0.249	S	C	.	.	H	α-helix	trans	-51.7	-36.4	-177.1	-88.5	-90.3	0	0	0	113.4	H697 A714 K715 I778	H697-F711 WeakPolarHBondContact O-CD2 3.07Å; F711-A714 PolarHBondContact O-N 2.82Å; F711-K715 VanDerWaalsContact O-CB 3.23Å; F711-K715 WeakPolarHBondContact O-CB 3.14Å; F711-K715 PolarHBondContact O-N 3.04Å; F711-I778 HydrophobicContact CD1-CB 4.46Å; F711-I778 HydrophobicContact CD1-CG1 4.08Å; F711-I778 HydrophobicContact CD1-CG2 4.34Å; F711-I778 HydrophobicContact CE1-CG1 3.85Å
712	Q	89.8	Confident	90.1	Very high	97 Å²	97	49 Å²	49	45%	0.453	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-42.5	176.7	-170.7	62.4	38.6	0	0	113	C710 K715 V716	C710-Q712 PolarHBondContact O-N 3.16Å; C710-Q712 VanDerWaalsContact O-N 3.07Å; Q712-K715 PolarHBondContact O-N 2.82Å; Q712-V716 WeakPolarHBondContact O-CB 3.47Å; Q712-V716 VanDerWaalsContact O-CG2 3.3Å; Q712-V716 WeakPolarHBondContact O-CG2 3.31Å; Q712-V716 PolarHBondContact O-N 3.38Å
713	C	94.4	Very high	89.7	Confident	24 Å²	24	51.7 Å²	51.7	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-70.9	-37.5	178.3	-72.4	0	0	0	0	111.7	L688 C689 C710 Y717	L688-C713 HydrophobicContact CB-CB 3.97Å; L688-C713 HydrophobicContact CD1-CB 3.96Å; C689-C713 PolarHBondContact SG-SG 3.02Å; C710-C713 PolarHBondContact O-N 3.08Å; C713-Y717 WeakPolarHBondContact O-CB 3.34Å; C713-Y717 PolarHBondContact O-N 3.23Å; C713-Y717 VanDerWaalsContact O-N 3.11Å
714	A	93.1	Very high	89.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-46.8	172.8	0	0	0	0	0	111.2	V699 F709 C710 F711 Y717 L718 I778	V699-A714 HydrophobicContact CB-CB 4.28Å; V699-A714 HydrophobicContact CG2-CB 3.78Å; F709-A714 HydrophobicContact CB-CB 4.5Å; C710-A714 PolarHBondContact O-N 3.33Å; C710-A714 VanDerWaalsContact O-N 3.09Å; F711-A714 PolarHBondContact O-N 2.82Å; A714-Y717 PolarHBondContact O-N 2.98Å; A714-L718 WeakPolarHBondContact O-CG 3.48Å; A714-L718 PolarHBondContact O-N 3.22Å; A714-I778 HydrophobicContact CB-CG2 3.94Å
715	K	92.6	Very high	88.2	Confident	62 Å²	62	57.5 Å²	57.5	27%	0.27	28%	0.284	S	S	.	.	H	α-helix	trans	-58.1	-51.2	177.2	176.4	162.1	-178	163.4	0	112.5	F711 Q712 Y717 L718 E719 I778 L779	F711-K715 VanDerWaalsContact O-CB 3.23Å; F711-K715 WeakPolarHBondContact O-CB 3.14Å; F711-K715 PolarHBondContact O-N 3.04Å; Q712-K715 PolarHBondContact O-N 2.82Å; K715-Y717 VanDerWaalsContact C-N 3.29Å; K715-Y717 PolarHBondContact O-N 2.84Å; K715-L718 PolarHBondContact O-N 3.15Å; K715-E719 WeakPolarHBondContact CE-OE1 3.32Å; K715-E719 HydrophobicContact CG-CG 4.37Å; K715-E719 IonicContact NZ-OE1 3.57Å; K715-E719 WeakPolarHBondContact O-CB 3.44Å; K715-E719 VanDerWaalsContact O-CG 3.32Å; K715-E719 WeakPolarHBondContact O-CG 3.37Å; K715-E719 PolarHBondContact O-N 3.36Å; K715-I778 HydrophobicContact CB-CG2 4.01Å; K715-L779 HydrophobicContact CG-CD2 4.2Å; K715-L779 PolarHBondContact NZ-O 3.49Å
716	V	91.2	Very high	87	Confident	77 Å²	77	55.2 Å²	55.2	47%	0.467	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-38.1	178.5	170.2	0	0	0	0	111.7	Q712 E719 S720	Q712-V716 WeakPolarHBondContact O-CB 3.47Å; Q712-V716 VanDerWaalsContact O-CG2 3.3Å; Q712-V716 WeakPolarHBondContact O-CG2 3.31Å; Q712-V716 PolarHBondContact O-N 3.38Å; V716-E719 PolarHBondContact O-N 2.9Å; V716-S720 PolarHBondContact O-N 2.88Å
717	Y	93.4	Very high	85.5	Confident	43 Å²	43	51.1 Å²	51.1	17%	0.169	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-48.1	174.7	173.1	-103.2	0	0	0	112.3	C713 A714 K715 E719 S720 M721 I751 Y752 P754 F770	C713-Y717 WeakPolarHBondContact O-CB 3.34Å; C713-Y717 PolarHBondContact O-N 3.23Å; C713-Y717 VanDerWaalsContact O-N 3.11Å; A714-Y717 PolarHBondContact O-N 2.98Å; K715-Y717 VanDerWaalsContact C-N 3.29Å; K715-Y717 PolarHBondContact O-N 2.84Å; Y717-E719 VanDerWaalsContact C-N 3.31Å; Y717-E719 PolarHBondContact O-N 3.26Å; Y717-S720 PolarHBondContact O-N 3.4Å; Y717-M721 HydrophobicContact CD2-CG 4.3Å; Y717-M721 HydrophobicContact CE1-CG 4.1Å; Y717-M721 HydrophobicContact CE2-CE 4.23Å; Y717-M721 HydrophobicContact CE2-CG 3.81Å; Y717-M721 HydrophobicContact CE2-SD 3.8Å; Y717-M721 VanDerWaalsContact O-CG 3.31Å; Y717-M721 WeakPolarHBondContact O-CG 3.13Å; Y717-M721 PolarHBondContact O-N 2.78Å; Y717-M721 VanDerWaalsContact O-N 3.09Å; Y717-I751 HydrophobicContact CD1-CG2 4.4Å; Y717-I751 HydrophobicContact CE1-CG2 3.63Å; Y717-Y752 VanDerWaalsContact CE1-O 3.3Å; Y717-Y752 WeakPolarHBondContact CE1-O 3.45Å; Y717-P754 HydrophobicContact CD1-CB 3.75Å; Y717-P754 HydrophobicContact CD1-CG 3.71Å; Y717-P754 HydrophobicContact CE1-CB 4.27Å; Y717-P754 HydrophobicContact CE1-CG 4.17Å; Y717-P754 HydrophobicContact CG-CB 3.88Å; Y717-P754 HydrophobicContact CG-CG 4.31Å; Y717-F770 HydrophobicContact CD1-CE2 4.49Å; Y717-F770 HydrophobicContact CE1-CE2 4.41Å
718	L	91.1	Very high	83.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-42	175.8	-67.3	175.9	0	0	0	111.6	A714 K715 M721 M722 I751 F770 I775 I778 L779	A714-L718 WeakPolarHBondContact O-CG 3.48Å; A714-L718 PolarHBondContact O-N 3.22Å; K715-L718 PolarHBondContact O-N 3.15Å; L718-M721 PolarHBondContact O-N 2.74Å; L718-M722 WeakPolarHBondContact O-CB 2.92Å; L718-M722 VanDerWaalsContact O-CG 3.31Å; L718-M722 WeakPolarHBondContact O-CG 3.18Å; L718-M722 PolarHBondContact O-N 3.15Å; L718-I751 HydrophobicContact CD2-CB 4.29Å; L718-I751 HydrophobicContact CD2-CD1 4.01Å; L718-I751 HydrophobicContact CD2-CG2 3.74Å; L718-F770 HydrophobicContact CD2-CD2 3.74Å; L718-F770 HydrophobicContact CD2-CE2 3.92Å; L718-F770 HydrophobicContact CD2-CG 4.25Å; L718-I775 HydrophobicContact CD1-CG2 4.31Å; L718-I775 HydrophobicContact CD2-CG1 4.13Å; L718-I778 HydrophobicContact CD1-CB 3.77Å; L718-I778 HydrophobicContact CD1-CD1 4.07Å; L718-I778 HydrophobicContact CD1-CG2 3.62Å; L718-L779 HydrophobicContact CB-CD2 4.03Å; L718-L779 HydrophobicContact CD1-CD2 4.49Å; L718-L779 HydrophobicContact CD1-CG 4.47Å
719	E	88.5	Confident	81.7	Confident	64 Å²	64	61.1 Å²	61.1	30%	0.299	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-39.7	177.5	-71.8	173.1	159.1	0	0	112.2	K715 V716 Y717 N723 L779	K715-E719 WeakPolarHBondContact CE-OE1 3.32Å; K715-E719 HydrophobicContact CG-CG 4.37Å; K715-E719 IonicContact NZ-OE1 3.57Å; K715-E719 WeakPolarHBondContact O-CB 3.44Å; K715-E719 VanDerWaalsContact O-CG 3.32Å; K715-E719 WeakPolarHBondContact O-CG 3.37Å; K715-E719 PolarHBondContact O-N 3.36Å; V716-E719 PolarHBondContact O-N 2.9Å; Y717-E719 VanDerWaalsContact C-N 3.31Å; Y717-E719 PolarHBondContact O-N 3.26Å; E719-N723 WeakPolarHBondContact O-CB 3.5Å; E719-N723 PolarHBondContact O-N 3.17Å; E719-N723 PolarHBondContact O-ND2 2.95Å; E719-N723 VanDerWaalsContact O-ND2 3.1Å; E719-L779 HydrophobicContact CG-CD2 3.61Å
720	S	87.3	Confident	79.7	Confident	54 Å²	54	66.9 Å²	66.9	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-53.3	174	-159.8	0	0	0	0	111.5	V716 Y717 M722 N723 E724	V716-S720 PolarHBondContact O-N 2.88Å; Y717-S720 PolarHBondContact O-N 3.4Å; S720-M722 VanDerWaalsContact C-N 3.34Å; S720-M722 PolarHBondContact O-N 2.98Å; S720-N723 PolarHBondContact O-N 3.12Å; S720-E724 WeakPolarHBondContact O-CG 3.4Å; S720-E724 PolarHBondContact O-N 3.03Å; S720-E724 PolarHBondContact OG-OE1 2.92Å
721	M	86.2	Confident	77.7	Confident	39 Å²	39	73.1 Å²	73.1	19%	0.192	38%	0.378	C	S	.	.	H	α-helix	trans	-59.2	-43.8	-179.7	-59.4	-74.9	91.3	0	0	111.4	Y717 L718 N723 E724 H725 I751	Y717-M721 HydrophobicContact CD2-CG 4.3Å; Y717-M721 HydrophobicContact CE1-CG 4.1Å; Y717-M721 HydrophobicContact CE2-CE 4.23Å; Y717-M721 HydrophobicContact CE2-CG 3.81Å; Y717-M721 HydrophobicContact CE2-SD 3.8Å; Y717-M721 VanDerWaalsContact O-CG 3.31Å; Y717-M721 WeakPolarHBondContact O-CG 3.13Å; Y717-M721 PolarHBondContact O-N 2.78Å; Y717-M721 VanDerWaalsContact O-N 3.09Å; L718-M721 PolarHBondContact O-N 2.74Å; M721-N723 VanDerWaalsContact C-N 3.29Å; M721-N723 PolarHBondContact O-N 2.79Å; M721-E724 VanDerWaalsContact CE-CD 3.5Å; M721-E724 VanDerWaalsContact CE-OE1 3.23Å; M721-E724 WeakPolarHBondContact CE-OE1 3.49Å; M721-E724 WeakPolarHBondContact CE-OE2 3.34Å; M721-E724 PolarHBondContact O-N 2.58Å; M721-H725 PolarHBondContact O-CD2 2.81Å; M721-H725 PolarHBondContact O-N 3.33Å; M721-H725 VanDerWaalsContact O-N 3.14Å; M721-I751 HydrophobicContact CB-CD1 4.32Å; M721-I751 HydrophobicContact CB-CG1 4.45Å; M721-I751 HydrophobicContact CB-CG2 4.18Å; M721-I751 HydrophobicContact CG-CG2 3.96Å
722	M	81.1	Confident	75.7	Confident	12 Å²	12	75.1 Å²	75.1	6%	0.059	39%	0.393	C	S	.	.	H	α-helix	trans	-63.5	-31.8	175.9	-75.1	-176.1	69	0	0	113.3	L718 S720 Q726 V741 L746 I751 I775 L779	L718-M722 WeakPolarHBondContact O-CB 2.92Å; L718-M722 VanDerWaalsContact O-CG 3.31Å; L718-M722 WeakPolarHBondContact O-CG 3.18Å; L718-M722 PolarHBondContact O-N 3.15Å; S720-M722 VanDerWaalsContact C-N 3.34Å; S720-M722 PolarHBondContact O-N 2.98Å; M722-Q726 WeakPolarHBondContact O-CG 3.49Å; M722-Q726 PolarHBondContact O-N 2.81Å; M722-Q726 PolarHBondContact O-NE2 2.75Å; M722-V741 HydrophobicContact CE-CG1 3.95Å; M722-L746 HydrophobicContact CE-CD1 4.03Å; M722-L746 HydrophobicContact CE-CD2 4.18Å; M722-L746 HydrophobicContact CG-CD1 4.05Å; M722-L746 HydrophobicContact SD-CD1 4.14Å; M722-L746 HydrophobicContact SD-CD2 4.48Å; M722-I751 HydrophobicContact CG-CD1 4.25Å; M722-I775 HydrophobicContact SD-CG2 4.5Å; M722-L779 HydrophobicContact SD-CD1 3.62Å
723	N	80.8	Confident	73.6	Confident	100 Å²	100	78 Å²	78	54%	0.535	41%	0.411	S	S	.	.	H	α-helix	trans	-78.3	-41.6	178.2	-70	-22.5	0	0	0	112	E719 S720 M721 H725 Q726 A727	E719-N723 WeakPolarHBondContact O-CB 3.5Å; E719-N723 PolarHBondContact O-N 3.17Å; E719-N723 PolarHBondContact O-ND2 2.95Å; E719-N723 VanDerWaalsContact O-ND2 3.1Å; S720-N723 PolarHBondContact O-N 3.12Å; M721-N723 VanDerWaalsContact C-N 3.29Å; M721-N723 PolarHBondContact O-N 2.79Å; N723-H725 VanDerWaalsContact C-N 3.3Å; N723-H725 PolarHBondContact O-N 2.92Å; N723-Q726 PolarHBondContact O-N 2.83Å; N723-Q726 VanDerWaalsContact O-N 3.08Å; N723-A727 PolarHBondContact O-N 3.43Å
724	E	77.1	Confident	71	Confident	98 Å²	98	84.8 Å²	84.8	46%	0.458	45%	0.446	S	S	.	.	H	α-helix	trans	-58.2	-42.3	175.5	-72.6	163	-127.5	0	0	111.4	S720 M721 Q726 A727	S720-E724 WeakPolarHBondContact O-CG 3.4Å; S720-E724 PolarHBondContact O-N 3.03Å; S720-E724 PolarHBondContact OG-OE1 2.92Å; M721-E724 VanDerWaalsContact CE-CD 3.5Å; M721-E724 VanDerWaalsContact CE-OE1 3.23Å; M721-E724 WeakPolarHBondContact CE-OE1 3.49Å; M721-E724 WeakPolarHBondContact CE-OE2 3.34Å; M721-E724 PolarHBondContact O-N 2.58Å; E724-Q726 VanDerWaalsContact C-N 3.35Å; E724-Q726 PolarHBondContact O-N 3.38Å; E724-A727 PolarHBondContact O-N 3.25Å
725	H	67.6	Low	68.7	Low	100 Å²	100	92.2 Å²	92.2	46%	0.463	49%	0.485	S	S	.	.	H	α-helix	trans	-74.5	-18.2	176	-73.4	-67.9	0	0	0	114.6	M721 N723 L749	M721-H725 PolarHBondContact O-CD2 2.81Å; M721-H725 PolarHBondContact O-N 3.33Å; M721-H725 VanDerWaalsContact O-N 3.14Å; N723-H725 VanDerWaalsContact C-N 3.3Å; N723-H725 PolarHBondContact O-N 2.92Å; H725-L749 HydrophobicContact CB-CD1 3.98Å; H725-L749 HydrophobicContact CB-CD2 4.11Å
726	Q	62.5	Low	66.6	Low	68 Å²	68	97.6 Å²	97.6	32%	0.318	51%	0.511	S	S	.	.	H	α-helix	trans	-80.4	-37.4	169	-78.6	169.2	75.6	0	0	112	M722 N723 E724 H728 N729 N730	M722-Q726 WeakPolarHBondContact O-CG 3.49Å; M722-Q726 PolarHBondContact O-N 2.81Å; M722-Q726 PolarHBondContact O-NE2 2.75Å; N723-Q726 PolarHBondContact O-N 2.83Å; N723-Q726 VanDerWaalsContact O-N 3.08Å; E724-Q726 VanDerWaalsContact C-N 3.35Å; E724-Q726 PolarHBondContact O-N 3.38Å; Q726-H728 PolarHBondContact O-N 3.29Å; Q726-N729 PolarHBondContact O-N 3.17Å; Q726-N730 PolarHBondContact O-N 2.98Å
727	A	55.5	Low	63.8	Low	63 Å²	63	98.6 Å²	98.6	52%	0.521	53%	0.528	S	S	.	.	H	α-helix	trans	-57.2	-34.5	178.9	0	0	0	0	0	112.7	N723 E724 N729	N723-A727 PolarHBondContact O-N 3.43Å; E724-A727 PolarHBondContact O-N 3.25Å; A727-N729 VanDerWaalsContact C-N 3.31Å; A727-N729 PolarHBondContact O-N 2.68Å
728	H	53.8	Low	61.2	Low	163 Å²	163	103.2 Å²	103.2	76%	0.755	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-18.4	178.5	-108.1	-73.9	0	0	0	115.4	Q726	Q726-H728 PolarHBondContact O-N 3.29Å
729	N	51.5	Low	59.2	Low	117 Å²	117	113 Å²	113	63%	0.626	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-22.8	178.5	-86.5	-47.7	0	0	0	113.8	Q726 A727 N731	Q726-N729 PolarHBondContact O-N 3.17Å; A727-N729 VanDerWaalsContact C-N 3.31Å; A727-N729 PolarHBondContact O-N 2.68Å; N729-N731 VanDerWaalsContact C-N 3.32Å; N729-N731 PolarHBondContact O-N 3.33Å
730	N	51.8	Low	57.1	Low	120 Å²	120	116.4 Å²	116.4	64%	0.642	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	12.9	-167.7	-70	-10.1	0	0	0	115.3	Q726 N732	Q726-N730 PolarHBondContact O-N 2.98Å; N730-N732 VanDerWaalsContact C-N 3.27Å; N730-N732 PolarHBondContact O-N 3.06Å
731	N	50.9	Low	55.4	Low	143 Å²	143	116.4 Å²	116.4	77%	0.765	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-1.8	176.5	-81.8	-31.1	0	0	0	114.2	N729	N729-N731 VanDerWaalsContact C-N 3.32Å; N729-N731 PolarHBondContact O-N 3.33Å
732	N	48.9	Very low	53.5	Low	134 Å²	134	119.2 Å²	119.2	72%	0.717	63%	0.632	S	S	*	*	S	Bend	trans	-122.7	144	170	-71.2	-47.9	0	0	0	109.7	N730	N730-N732 VanDerWaalsContact C-N 3.27Å; N730-N732 PolarHBondContact O-N 3.06Å
733	N	45.9	Very low	52.2	Low	158 Å²	158	121.7 Å²	121.7	85%	0.845	64%	0.644	S	S	*	*			trans	72	88.6	179	-53.9	-23.8	0	0	0	116.2	N735	N733-N735 PolarHBondContact O-N 3.11Å
734	N	39.5	Very low	50.7	Low	166 Å²	166	121.3 Å²	121.3	89%	0.888	64%	0.642	S	S	*	*			trans	-64.9	112	157	-63.8	-51.5	0	0	0	109.6
735	N	46.3	Very low	49.5	Very low	155 Å²	155	122.3 Å²	122.3	83%	0.829	65%	0.65	S	S	*	*			trans	-162.3	164.5	156.2	-98.9	-29.5	0	0	0	110.5	N733 A737	N733-N735 PolarHBondContact O-N 3.11Å; N735-A737 PolarHBondContact O-N 3.44Å
736	Q	47.1	Very low	49	Very low	175 Å²	175	118.1 Å²	118.1	82%	0.818	63%	0.632	S	S	*	*			trans	-73.2	127.6	-157.7	-71.8	137.7	-59.2	0	0	115.9	N738	Q736-N738 PolarHBondContact O-N 3.02Å
737	A	33.9	Very low	48.5	Very low	99 Å²	99	121.1 Å²	121.1	82%	0.818	64%	0.644	S	S	*	*			trans	26.5	88.4	138.9	0	0	0	0	0	118.2	N735	N735-A737 PolarHBondContact O-N 3.44Å
738	N	38.8	Very low	48.6	Very low	140 Å²	140	125.6 Å²	125.6	75%	0.749	66%	0.659	S	S	*	*			trans	-120.4	118.2	154.9	-113.9	-36.6	0	0	0	108.8	Q736 N740	Q736-N738 PolarHBondContact O-N 3.02Å; N738-N740 PolarHBondContact O-N 2.84Å; N738-N740 VanDerWaalsContact O-N 3.11Å
739	K	48	Very low	49.4	Very low	205 Å²	205	119.7 Å²	119.7	89%	0.891	63%	0.633	S	S	*	*			trans	-78.7	15.8	-176.9	-79.2	-173.7	175.3	179.1	0	114	V741	K739-V741 PolarHBondContact O-N 2.57Å; K739-V741 VanDerWaalsContact O-N 3.13Å
740	N	43.8	Very low	50.9	Low	135 Å²	135	120.2 Å²	120.2	72%	0.722	63%	0.631	S	S	*	*			trans	-81.4	94.4	179.5	-66.7	-1.6	0	0	0	109.3	N738 N742	N738-N740 PolarHBondContact O-N 2.84Å; N738-N740 VanDerWaalsContact O-N 3.11Å; N740-N742 PolarHBondContact O-N 2.98Å
741	V	53	Low	52.6	Low	55 Å²	55	114.7 Å²	114.7	33%	0.333	60%	0.602	S	S	.	*			trans	-59.1	106.1	170.2	176.5	0	0	0	0	108	M722 K739 M743	M722-V741 HydrophobicContact CE-CG1 3.95Å; K739-V741 PolarHBondContact O-N 2.57Å; K739-V741 VanDerWaalsContact O-N 3.13Å; V741-M743 HydrophobicContact CG1-SD 4.31Å; V741-M743 PolarHBondContact O-N 2.87Å
742	N	46	Very low	54.5	Low	98 Å²	98	110.2 Å²	110.2	52%	0.524	57%	0.574	S	S	.	*			trans	-70.7	92.5	-177.9	-172.8	-4	0	0	0	109.8	N740 N744 N745	N740-N742 PolarHBondContact O-N 2.98Å; N742-N744 PolarHBondContact O-N 2.76Å; N742-N744 WeakPolarHBondContact OD1-CB 3.27Å; N742-N744 PolarHBondContact OD1-N 3.24Å; N742-N744 PolarHBondContact OD1-ND2 3.23Å; N742-N744 VanDerWaalsContact OD1-ND2 3.08Å; N742-N745 PolarHBondContact O-N 3.13Å; N742-N745 VanDerWaalsContact O-N 3.08Å
743	M	53.5	Low	56.6	Low	63 Å²	63	103.8 Å²	103.8	31%	0.31	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-58.9	-16.9	-174.3	-63.6	-71.4	-95.7	0	0	113.2	V741 N745 L746 K781	V741-M743 HydrophobicContact CG1-SD 4.31Å; V741-M743 PolarHBondContact O-N 2.87Å; M743-N745 PolarHBondContact O-N 2.78Å; M743-L746 WeakPolarHBondContact O-CB 3.28Å; M743-L746 PolarHBondContact O-N 3.26Å; M743-L746 HydrophobicContact SD-CD2 4.45Å; M743-K781 HydrophobicContact CE-CB 4.24Å; M743-K781 HydrophobicContact CE-CD 4.18Å; M743-K781 HydrophobicContact SD-CD 4.47Å
744	N	49.1	Very low	58.8	Low	93 Å²	93	96.6 Å²	96.6	50%	0.497	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-61.6	-30.4	174.7	-66.5	-53	0	0	0	113.2	N742 L746	N742-N744 PolarHBondContact O-N 2.76Å; N742-N744 WeakPolarHBondContact OD1-CB 3.27Å; N742-N744 PolarHBondContact OD1-N 3.24Å; N742-N744 PolarHBondContact OD1-ND2 3.23Å; N742-N744 VanDerWaalsContact OD1-ND2 3.08Å; N744-L746 PolarHBondContact O-N 3.01Å
745	N	51.6	Low	61.2	Low	118 Å²	118	90.1 Å²	90.1	63%	0.631	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-73.7	-6.3	175.4	-76.5	-0.9	0	0	0	113.6	N742 M743 K747	N742-N745 PolarHBondContact O-N 3.13Å; N742-N745 VanDerWaalsContact O-N 3.08Å; M743-N745 PolarHBondContact O-N 2.78Å; N745-K747 VanDerWaalsContact C-N 3.34Å
746	L	57.5	Low	63.1	Low	13 Å²	13	85.9 Å²	85.9	7%	0.068	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-82.9	-8.3	179.4	-162.9	60.9	0	0	0	113.2	M722 M743 N744 N748 L749 N772 I775	M722-L746 HydrophobicContact CE-CD1 4.03Å; M722-L746 HydrophobicContact CE-CD2 4.18Å; M722-L746 HydrophobicContact CG-CD1 4.05Å; M722-L746 HydrophobicContact SD-CD1 4.14Å; M722-L746 HydrophobicContact SD-CD2 4.48Å; M743-L746 WeakPolarHBondContact O-CB 3.28Å; M743-L746 PolarHBondContact O-N 3.26Å; M743-L746 HydrophobicContact SD-CD2 4.45Å; N744-L746 PolarHBondContact O-N 3.01Å; L746-N748 VanDerWaalsContact C-N 3.26Å; L746-N748 PolarHBondContact O-N 2.8Å; L746-L749 HydrophobicContact CD1-CB 4.15Å; L746-L749 HydrophobicContact CD1-CD2 3.9Å; L746-L749 PolarHBondContact O-N 3.09Å; L746-N772 PolarHBondContact O-ND2 3.05Å; L746-I775 HydrophobicContact CD2-CG2 4.17Å
747	K	52.6	Low	65	Low	131 Å²	131	83.1 Å²	83.1	57%	0.57	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-68.7	-18.7	-175.1	-67.9	-175.5	179.2	179.1	0	114.5	N745	N745-K747 VanDerWaalsContact C-N 3.34Å
748	N	57.5	Low	67.6	Low	156 Å²	156	85 Å²	85	83%	0.834	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-113.1	17.6	-177	-63	-0.7	0	0	0	113.3	L746	L746-N748 VanDerWaalsContact C-N 3.26Å; L746-N748 PolarHBondContact O-N 2.8Å
749	L	70.8	Confident	70.1	Confident	40 Å²	40	78.9 Å²	78.9	21%	0.209	41%	0.405	C	S	.	.			trans	-109.2	92.2	-168.6	-141.5	73.5	0	0	0	112.6	H725 L746 I751	H725-L749 HydrophobicContact CB-CD1 3.98Å; H725-L749 HydrophobicContact CB-CD2 4.11Å; L746-L749 HydrophobicContact CD1-CB 4.15Å; L746-L749 HydrophobicContact CD1-CD2 3.9Å; L746-L749 PolarHBondContact O-N 3.09Å; L749-I751 HydrophobicContact CD2-CD1 4.3Å; L749-I751 HydrophobicContact CD2-CG1 4.33Å; L749-I751 HydrophobicContact CG-CG1 4.43Å; L749-I751 PolarHBondContact O-N 2.8Å
750	E	81.5	Confident	72.2	Confident	127 Å²	127	72.5 Å²	72.5	59%	0.593	38%	0.384	S	S	*	.			trans	-70.6	88.5	173.8	-70.9	-172.6	-169.9	0	0	111.6	Y752 A769	E750-Y752 HydrophobicContact CB-CE1 3.89Å; E750-Y752 WeakPolarHBondContact OE2-CE1 3.37Å; E750-Y752 VanDerWaalsContact OE2-CZ 3.28Å; E750-Y752 PolarHBondContact OE2-OH 3.08Å; E750-A769 HydrophobicContact CB-CB 4.32Å
751	I	87.9	Confident	74.3	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	36%	0.363	C	S	.	.			trans	-85.3	116.6	174.5	-51.1	177.6	0	0	0	109.7	Y717 L718 M721 M722 L749 A769 F770 I775	Y717-I751 HydrophobicContact CD1-CG2 4.4Å; Y717-I751 HydrophobicContact CE1-CG2 3.63Å; L718-I751 HydrophobicContact CD2-CB 4.29Å; L718-I751 HydrophobicContact CD2-CD1 4.01Å; L718-I751 HydrophobicContact CD2-CG2 3.74Å; M721-I751 HydrophobicContact CB-CD1 4.32Å; M721-I751 HydrophobicContact CB-CG1 4.45Å; M721-I751 HydrophobicContact CB-CG2 4.18Å; M721-I751 HydrophobicContact CG-CG2 3.96Å; M722-I751 HydrophobicContact CG-CD1 4.25Å; L749-I751 HydrophobicContact CD2-CD1 4.3Å; L749-I751 HydrophobicContact CD2-CG1 4.33Å; L749-I751 HydrophobicContact CG-CG1 4.43Å; L749-I751 PolarHBondContact O-N 2.8Å; I751-A769 CarbonylContact O-C 3.59Å; I751-A769 VanDerWaalsContact O-CA 3.24Å; I751-A769 WeakPolarHBondContact O-CA 3.39Å; I751-A769 WeakPolarHBondContact O-CB 3.27Å; I751-F770 HydrophobicContact CB-CD2 4.48Å; I751-F770 HydrophobicContact CG2-CD2 4.24Å; I751-F770 WeakPolarHBondContact O-CD2 3.48Å; I751-F770 PolarHBondContact O-N 2.92Å; I751-I775 HydrophobicContact CD1-CD1 4.04Å
752	Y	91.7	Very high	75.6	Confident	49 Å²	49	71.7 Å²	71.7	19%	0.192	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-86.7	-168	-174.4	-55.4	-61.9	0	0	0	113.8	Y717 E750 K758 P767 A769 F770	Y717-Y752 VanDerWaalsContact CE1-O 3.3Å; Y717-Y752 WeakPolarHBondContact CE1-O 3.45Å; E750-Y752 HydrophobicContact CB-CE1 3.89Å; E750-Y752 WeakPolarHBondContact OE2-CE1 3.37Å; E750-Y752 VanDerWaalsContact OE2-CZ 3.28Å; E750-Y752 PolarHBondContact OE2-OH 3.08Å; Y752-K758 HydrophobicContact CD2-CD 4.48Å; Y752-K758 HydrophobicContact CD2-CG 4.34Å; Y752-K758 HydrophobicContact CE2-CD 4.25Å; Y752-K758 VanDerWaalsContact CE2-CE 3.42Å; Y752-K758 VanDerWaalsContact CE2-NZ 3.29Å; Y752-K758 PolarHBondContact OH-NZ 2.9Å; Y752-P767 HydrophobicContact CD1-CB 4.2Å; Y752-P767 HydrophobicContact CD1-CG 4.06Å; Y752-P767 HydrophobicContact CE1-CB 4.25Å; Y752-P767 HydrophobicContact CE1-CG 3.61Å; Y752-A769 HydrophobicContact CD1-CB 3.89Å; Y752-A769 HydrophobicContact CE1-CB 4.16Å; Y752-F770 WeakPolarHBondContact O-CE2 3.32Å
753	C	93.1	Very high	77.3	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	41%	0.405	C	S	.	.			trans	-61.2	132.2	-178.5	-173.3	0	0	0	0	113	S755 G756 K757 C759 W768	C753-S755 PolarHBondContact O-N 3.17Å; C753-S755 PolarHBondContact SG-OG 3.23Å; C753-G756 PolarHBondContact O-N 3.21Å; C753-K757 WeakPolarHBondContact CB-O 3.45Å; C753-C759 HydrophobicContact CB-CB 4.37Å; C753-W768 HydrophobicContact CB-CE3 4.01Å; C753-W768 HydrophobicContact CB-CZ3 3.76Å
754	P	92.4	Very high	78.8	Confident	6 Å²	6	70.6 Å²	70.6	4%	0.039	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-9.3	-179.7	-24	32.5	0	0	0	116.3	L688 F709 Y717 G756 F770	L688-P754 HydrophobicContact CD1-CB 3.91Å; F709-P754 HydrophobicContact CD1-CB 3.88Å; F709-P754 HydrophobicContact CD1-CG 4.49Å; F709-P754 HydrophobicContact CD2-CB 4.15Å; F709-P754 HydrophobicContact CD2-CG 3.89Å; F709-P754 HydrophobicContact CE1-CB 3.86Å; F709-P754 HydrophobicContact CE2-CB 4.15Å; F709-P754 HydrophobicContact CE2-CG 4.03Å; F709-P754 HydrophobicContact CG-CB 4.01Å; F709-P754 HydrophobicContact CG-CG 4.13Å; F709-P754 HydrophobicContact CZ-CB 4Å; F709-P754 HydrophobicContact CZ-CG 4.37Å; Y717-P754 HydrophobicContact CD1-CB 3.75Å; Y717-P754 HydrophobicContact CD1-CG 3.71Å; Y717-P754 HydrophobicContact CE1-CB 4.27Å; Y717-P754 HydrophobicContact CE1-CG 4.17Å; Y717-P754 HydrophobicContact CG-CB 3.88Å; Y717-P754 HydrophobicContact CG-CG 4.31Å; P754-G756 PolarHBondContact O-N 3.49Å; P754-F770 HydrophobicContact CG-CE2 3.81Å; P754-F770 HydrophobicContact CG-CZ 3.7Å
755	S	89.8	Confident	80.5	Confident	31 Å²	31	75.5 Å²	75.5	22%	0.217	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	6.8	169.5	69.6	0	0	0	0	113.8	H707 C753 K757	H707-S755 PolarHBondContact CE1-OG 2.88Å; H707-S755 VanDerWaalsContact CE1-OG 3.23Å; H707-S755 PolarHBondContact ND1-OG 3.5Å; C753-S755 PolarHBondContact O-N 3.17Å; C753-S755 PolarHBondContact SG-OG 3.23Å; S755-K757 PolarHBondContact O-N 3.23Å; S755-K757 VanDerWaalsContact O-N 3.12Å
756	G	84.9	Confident	82.1	Confident	65 Å²	65	78.8 Å²	78.8	67%	0.67	43%	0.426	S	S	*	.	S	Bend	trans	69.6	2.6	-176.9	0	0	0	0	0	115.2	C753 P754	C753-G756 PolarHBondContact O-N 3.21Å; P754-G756 PolarHBondContact O-N 3.49Å
757	K	86.8	Confident	83.5	Confident	118 Å²	118	79.7 Å²	79.7	51%	0.513	43%	0.433	S	S	.	.			trans	-94.1	133.3	-179	-56.3	-165.4	-161.9	177.8	0	109.8	H707 C753 S755 C759	H707-K757 WeakPolarHBondContact CE1-CB 3.49Å; H707-K757 WeakPolarHBondContact CE1-CD 3.2Å; H707-K757 VanDerWaalsContact CE1-CG 3.48Å; H707-K757 WeakPolarHBondContact CE1-CG 3.35Å; H707-K757 WeakPolarHBondContact NE2-CE 3.3Å; H707-K757 PolarHBondContact NE2-NZ 2.95Å; C753-K757 WeakPolarHBondContact CB-O 3.45Å; S755-K757 PolarHBondContact O-N 3.23Å; S755-K757 VanDerWaalsContact O-N 3.12Å; K757-C759 PolarHBondContact O-N 3.32Å
758	K	88.5	Confident	85.3	Confident	137 Å²	137	74.5 Å²	74.5	60%	0.596	41%	0.41	S	S	*	.			trans	-73.7	78.5	170.2	-70.4	-158.6	175.5	-154.1	0	110.1	Y752 V760 P767	Y752-K758 HydrophobicContact CD2-CD 4.48Å; Y752-K758 HydrophobicContact CD2-CG 4.34Å; Y752-K758 HydrophobicContact CE2-CD 4.25Å; Y752-K758 VanDerWaalsContact CE2-CE 3.42Å; Y752-K758 VanDerWaalsContact CE2-NZ 3.29Å; Y752-K758 PolarHBondContact OH-NZ 2.9Å; K758-V760 PolarHBondContact O-N 2.97Å; K758-P767 HydrophobicContact CB-CB 3.96Å; K758-P767 HydrophobicContact CB-CG 4.46Å; K758-P767 HydrophobicContact CD-CG 4.42Å
759	C	92.3	Very high	86.8	Confident	12 Å²	12	68.2 Å²	68.2	8%	0.081	38%	0.379	C	S	.	.			trans	-73.4	104	-173.9	-72.4	0	0	0	0	112.4	A703 H707 C753 K757 W768	A703-C759 HydrophobicContact CB-CB 3.93Å; H707-C759 PolarHBondContact CE1-SG 3.25Å; H707-C759 PolarHBondContact ND1-SG 3.23Å; H707-C759 VanDerWaalsContact ND1-SG 3.39Å; C753-C759 HydrophobicContact CB-CB 4.37Å; K757-C759 PolarHBondContact O-N 3.32Å; C759-W768 PolarHBondContact O-N 2.84Å
760	V	91.2	Very high	87.7	Confident	72 Å²	72	66.8 Å²	66.8	44%	0.436	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-77.6	132.9	177.9	-175.9	0	0	0	0	111	A703 K758 S764	A703-V760 WeakPolarHBondContact CB-O 3.43Å; K758-V760 PolarHBondContact O-N 2.97Å; V760-S764 WeakPolarHBondContact CG1-O 3.3Å
761	L	88.1	Confident	88	Confident	56 Å²	56	64.4 Å²	64.4	29%	0.293	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-72.1	145.1	176.5	-64.3	165.5	0	0	0	110.9	P702 A703 G763 S764 W768	P702-L761 HydrophobicContact CB-CD2 3.84Å; A703-L761 HydrophobicContact CB-CD2 4.04Å; L761-G763 PolarHBondContact O-N 2.92Å; L761-S764 WeakPolarHBondContact O-CB 3.45Å; L761-S764 PolarHBondContact O-N 3.19Å; L761-W768 HydrophobicContact CD1-CB 4.34Å; L761-W768 HydrophobicContact CD2-CB 4.14Å; L761-W768 HydrophobicContact CG-CB 4.03Å
762	P	82	Confident	87.8	Confident	116 Å²	116	67.4 Å²	67.4	75%	0.753	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	122.1	170.4	-26	35.1	0	0	0	111.6
763	G	80.4	Confident	87.3	Confident	95 Å²	95	68.9 Å²	68.9	98%	0.979	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-5	-176.2	0	0	0	0	0	115.9	L761	L761-G763 PolarHBondContact O-N 2.92Å
764	S	85.5	Confident	87.1	Confident	44 Å²	44	72.4 Å²	72.4	31%	0.308	42%	0.416	S	S	.	.			trans	-94	153.5	172.8	-174.4	0	0	0	0	111.7	V760 L761 Y766	V760-S764 WeakPolarHBondContact CG1-O 3.3Å; L761-S764 WeakPolarHBondContact O-CB 3.45Å; L761-S764 PolarHBondContact O-N 3.19Å; S764-Y766 PolarHBondContact OG-N 3.5Å; S764-Y766 PolarHBondContact OG-O 2.8Å
765	K	85.4	Confident	86.9	Confident	196 Å²	196	72.1 Å²	72.1	85%	0.852	41%	0.414	S	S	*	.	S	Bend	trans	-93.1	-17.4	161.4	-68.7	-174.7	178.3	-179.6	0	112.8
766	Y	84.5	Confident	86.6	Confident	186 Å²	186	71.7 Å²	71.7	73%	0.729	41%	0.41	S	S	*	.	S	Bend	trans	-102.6	143.5	-174.7	-59.6	-78.3	0	0	0	111.4	S764	S764-Y766 PolarHBondContact OG-N 3.5Å; S764-Y766 PolarHBondContact OG-O 2.8Å
767	P	87.7	Confident	86.7	Confident	32 Å²	32	72 Å²	72	21%	0.208	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-66.5	149.8	175.4	30.3	-35.9	0	0	0	111.8	Y752 K758	Y752-P767 HydrophobicContact CD1-CB 4.2Å; Y752-P767 HydrophobicContact CD1-CG 4.06Å; Y752-P767 HydrophobicContact CE1-CB 4.25Å; Y752-P767 HydrophobicContact CE1-CG 3.61Å; K758-P767 HydrophobicContact CB-CB 3.96Å; K758-P767 HydrophobicContact CB-CG 4.46Å; K758-P767 HydrophobicContact CD-CG 4.42Å
768	W	88.7	Confident	86.8	Confident	23 Å²	23	67.2 Å²	67.2	9%	0.087	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-69.8	131.7	168.6	167.6	69.2	0	0	0	110.9	C701 P702 C753 C759 L761 F770	C701-W768 HydrophobicContact CB-CE3 4.35Å; C701-W768 HydrophobicContact CB-CZ3 3.98Å; P702-W768 VanDerWaalsContact CD-CD2 3.45Å; P702-W768 VanDerWaalsContact CD-CE2 3.43Å; P702-W768 HydrophobicContact CG-CD2 4.21Å; P702-W768 HydrophobicContact CG-CG 4.36Å; P702-W768 HydrophobicContact CG-CZ2 4.36Å; C753-W768 HydrophobicContact CB-CE3 4.01Å; C753-W768 HydrophobicContact CB-CZ3 3.76Å; C759-W768 PolarHBondContact O-N 2.84Å; L761-W768 HydrophobicContact CD1-CB 4.34Å; L761-W768 HydrophobicContact CD2-CB 4.14Å; L761-W768 HydrophobicContact CG-CB 4.03Å; W768-F770 HydrophobicContact CH2-CD1 4.34Å; W768-F770 HydrophobicContact CH2-CE1 4.02Å; W768-F770 HydrophobicContact CH2-CE2 4.45Å; W768-F770 HydrophobicContact CH2-CZ 4.09Å; W768-F770 HydrophobicContact CZ2-CD1 4.1Å; W768-F770 HydrophobicContact CZ2-CE1 4.18Å
769	A	90.2	Very high	86.7	Confident	23 Å²	23	60.9 Å²	60.9	19%	0.19	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-121.7	156.7	169.5	0	0	0	0	0	109.8	E750 I751 Y752	E750-A769 HydrophobicContact CB-CB 4.32Å; I751-A769 CarbonylContact O-C 3.59Å; I751-A769 VanDerWaalsContact O-CA 3.24Å; I751-A769 WeakPolarHBondContact O-CA 3.39Å; I751-A769 WeakPolarHBondContact O-CB 3.27Å; Y752-A769 HydrophobicContact CD1-CB 3.89Å; Y752-A769 HydrophobicContact CE1-CB 4.16Å
770	F	89.8	Confident	85.9	Confident	10 Å²	10	63.2 Å²	63.2	4%	0.044	39%	0.385	C	S	.	.			trans	-64.6	140.6	170.9	-71.4	-80.9	0	0	0	111	V699 Y717 L718 I751 Y752 P754 W768 E774 I775 I778	V699-F770 HydrophobicContact CG1-CE1 3.67Å; V699-F770 HydrophobicContact CG1-CZ 3.92Å; Y717-F770 HydrophobicContact CD1-CE2 4.49Å; Y717-F770 HydrophobicContact CE1-CE2 4.41Å; L718-F770 HydrophobicContact CD2-CD2 3.74Å; L718-F770 HydrophobicContact CD2-CE2 3.92Å; L718-F770 HydrophobicContact CD2-CG 4.25Å; I751-F770 HydrophobicContact CB-CD2 4.48Å; I751-F770 HydrophobicContact CG2-CD2 4.24Å; I751-F770 WeakPolarHBondContact O-CD2 3.48Å; I751-F770 PolarHBondContact O-N 2.92Å; Y752-F770 WeakPolarHBondContact O-CE2 3.32Å; P754-F770 HydrophobicContact CG-CE2 3.81Å; P754-F770 HydrophobicContact CG-CZ 3.7Å; W768-F770 HydrophobicContact CH2-CD1 4.34Å; W768-F770 HydrophobicContact CH2-CE1 4.02Å; W768-F770 HydrophobicContact CH2-CE2 4.45Å; W768-F770 HydrophobicContact CH2-CZ 4.09Å; W768-F770 HydrophobicContact CZ2-CD1 4.1Å; W768-F770 HydrophobicContact CZ2-CE1 4.18Å; F770-E774 WeakPolarHBondContact CA-OE2 3.31Å; F770-E774 HydrophobicContact CD1-CB 4.12Å; F770-I775 HydrophobicContact CB-CD1 4.07Å; F770-I775 HydrophobicContact CB-CG1 3.7Å; F770-I775 HydrophobicContact CG-CG1 4.5Å; F770-I778 HydrophobicContact CD1-CD1 4.07Å; F770-I778 HydrophobicContact CE1-CD1 3.64Å; F770-I778 HydrophobicContact CZ-CD1 4.44Å
771	V	87.6	Confident	84.5	Confident	77 Å²	77	63.5 Å²	63.5	47%	0.467	38%	0.38	S	S	.	.			trans	-84.9	154.1	169.6	-63.4	0	0	0	0	111.4	S773 E774 I775	V771-S773 WeakPolarHBondContact CG2-OG 3.39Å; V771-S773 PolarHBondContact O-N 3.04Å; V771-E774 HydrophobicContact CG2-CB 4.14Å; V771-E774 HydrophobicContact CG2-CG 3.62Å; V771-E774 PolarHBondContact N-OE2 3.17Å; V771-E774 WeakPolarHBondContact O-CB 3.13Å; V771-E774 PolarHBondContact O-N 3.35Å; V771-I775 PolarHBondContact O-N 3.09Å
772	N	82.7	Confident	82.4	Confident	68 Å²	68	66.6 Å²	66.6	36%	0.364	40%	0.402	S	S	.	.	H	α-helix	trans	-55.6	-29.4	-175.8	-63	68.1	0	0	0	113.9	L746 T776	L746-N772 PolarHBondContact O-ND2 3.05Å; N772-T776 WeakPolarHBondContact O-CB 3.3Å; N772-T776 PolarHBondContact O-N 3.28Å; N772-T776 PolarHBondContact O-OG1 3.47Å
773	S	82.1	Confident	80.6	Confident	80 Å²	80	65.7 Å²	65.7	56%	0.559	39%	0.387	S	S	*	.	H	α-helix	trans	-72.4	-37.1	174.1	49.7	0	0	0	0	113.4	V771 T776 A777	V771-S773 WeakPolarHBondContact CG2-OG 3.39Å; V771-S773 PolarHBondContact O-N 3.04Å; S773-T776 WeakPolarHBondContact O-CB 3.49Å; S773-T776 PolarHBondContact O-N 3.34Å; S773-A777 WeakPolarHBondContact O-CB 3.29Å; S773-A777 PolarHBondContact O-N 3.17Å
774	E	88.6	Confident	78.3	Confident	73 Å²	73	68 Å²	68	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-65.2	-44.1	171.4	-69.5	172.6	146.9	0	0	110.5	F770 V771 T776 A777 I778	F770-E774 WeakPolarHBondContact CA-OE2 3.31Å; F770-E774 HydrophobicContact CD1-CB 4.12Å; V771-E774 HydrophobicContact CG2-CB 4.14Å; V771-E774 HydrophobicContact CG2-CG 3.62Å; V771-E774 PolarHBondContact N-OE2 3.17Å; V771-E774 WeakPolarHBondContact O-CB 3.13Å; V771-E774 PolarHBondContact O-N 3.35Å; E774-T776 PolarHBondContact O-N 3.3Å; E774-A777 PolarHBondContact O-N 2.91Å; E774-I778 WeakPolarHBondContact O-CB 3.45Å; E774-I778 WeakPolarHBondContact O-CD1 3.25Å; E774-I778 VanDerWaalsContact O-CG1 3.23Å; E774-I778 WeakPolarHBondContact O-CG1 3.22Å; E774-I778 PolarHBondContact O-N 2.81Å
775	I	88.1	Confident	75.7	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-59.9	-48.3	176.2	-60.4	169.1	0	0	0	110.1	L718 M722 L746 I751 F770 V771 A777 I778 L779	L718-I775 HydrophobicContact CD1-CG2 4.31Å; L718-I775 HydrophobicContact CD2-CG1 4.13Å; M722-I775 HydrophobicContact SD-CG2 4.5Å; L746-I775 HydrophobicContact CD2-CG2 4.17Å; I751-I775 HydrophobicContact CD1-CD1 4.04Å; F770-I775 HydrophobicContact CB-CD1 4.07Å; F770-I775 HydrophobicContact CB-CG1 3.7Å; F770-I775 HydrophobicContact CG-CG1 4.5Å; V771-I775 PolarHBondContact O-N 3.09Å; I775-A777 PolarHBondContact O-N 2.81Å; I775-I778 PolarHBondContact O-N 2.9Å; I775-L779 HydrophobicContact CG2-CD1 3.69Å; I775-L779 HydrophobicContact CG2-CG 4.24Å; I775-L779 WeakPolarHBondContact O-CB 3.18Å; I775-L779 WeakPolarHBondContact O-CG 3.18Å; I775-L779 PolarHBondContact O-N 2.95Å
776	T	84.5	Confident	73.3	Confident	22 Å²	22	63.7 Å²	63.7	14%	0.135	37%	0.365	C	S	.	.	H	α-helix	trans	-53.6	-49.1	175.4	-69.9	0	0	0	0	111.9	N772 S773 E774 G780 K781 Q783	N772-T776 WeakPolarHBondContact O-CB 3.3Å; N772-T776 PolarHBondContact O-N 3.28Å; N772-T776 PolarHBondContact O-OG1 3.47Å; S773-T776 WeakPolarHBondContact O-CB 3.49Å; S773-T776 PolarHBondContact O-N 3.34Å; E774-T776 PolarHBondContact O-N 3.3Å; T776-G780 PolarHBondContact O-N 3.09Å; T776-G780 VanDerWaalsContact O-N 3.16Å; T776-K781 WeakPolarHBondContact CG2-O 3.48Å; T776-K781 PolarHBondContact O-N 3.03Å; T776-Q783 HydrophobicContact CG2-CG 3.96Å; T776-Q783 PolarHBondContact OG1-NE2 3.28Å
777	A	86.6	Confident	71	Confident	72 Å²	72	60.3 Å²	60.3	60%	0.595	36%	0.359	S	S	*	.	H	α-helix	trans	-67.2	-46.6	-179.9	0	0	0	0	0	112.8	S773 E774 I775 L779 G780	S773-A777 WeakPolarHBondContact O-CB 3.29Å; S773-A777 PolarHBondContact O-N 3.17Å; E774-A777 PolarHBondContact O-N 2.91Å; I775-A777 PolarHBondContact O-N 2.81Å; A777-L779 PolarHBondContact O-N 3.19Å; A777-G780 PolarHBondContact O-N 3.32Å
778	I	88.2	Confident	68.6	Low	16 Å²	16	67.3 Å²	67.3	8%	0.082	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-36.4	-178.5	-65.4	161.2	0	0	0	111.4	V699 F711 A714 K715 L718 F770 E774 I775 G780	V699-I778 HydrophobicContact CG2-CD1 3.75Å; V699-I778 HydrophobicContact CG2-CG1 4.19Å; F711-I778 HydrophobicContact CD1-CB 4.46Å; F711-I778 HydrophobicContact CD1-CG1 4.08Å; F711-I778 HydrophobicContact CD1-CG2 4.34Å; F711-I778 HydrophobicContact CE1-CG1 3.85Å; A714-I778 HydrophobicContact CB-CG2 3.94Å; K715-I778 HydrophobicContact CB-CG2 4.01Å; L718-I778 HydrophobicContact CD1-CB 3.77Å; L718-I778 HydrophobicContact CD1-CD1 4.07Å; L718-I778 HydrophobicContact CD1-CG2 3.62Å; F770-I778 HydrophobicContact CD1-CD1 4.07Å; F770-I778 HydrophobicContact CE1-CD1 3.64Å; F770-I778 HydrophobicContact CZ-CD1 4.44Å; E774-I778 WeakPolarHBondContact O-CB 3.45Å; E774-I778 WeakPolarHBondContact O-CD1 3.25Å; E774-I778 VanDerWaalsContact O-CG1 3.23Å; E774-I778 WeakPolarHBondContact O-CG1 3.22Å; E774-I778 PolarHBondContact O-N 2.81Å; I775-I778 PolarHBondContact O-N 2.9Å; I778-G780 VanDerWaalsContact C-N 3.32Å
779	L	87	Confident	66.1	Low	5 Å²	5	70.9 Å²	70.9	3%	0.026	40%	0.403	C	S	.	.	H	α-helix	trans	-73.1	-24.4	176.1	-66.6	178.7	0	0	0	112.9	K715 L718 E719 M722 I775 A777 K781	K715-L779 HydrophobicContact CG-CD2 4.2Å; K715-L779 PolarHBondContact NZ-O 3.49Å; L718-L779 HydrophobicContact CB-CD2 4.03Å; L718-L779 HydrophobicContact CD1-CD2 4.49Å; L718-L779 HydrophobicContact CD1-CG 4.47Å; E719-L779 HydrophobicContact CG-CD2 3.61Å; M722-L779 HydrophobicContact SD-CD1 3.62Å; I775-L779 HydrophobicContact CG2-CD1 3.69Å; I775-L779 HydrophobicContact CG2-CG 4.24Å; I775-L779 WeakPolarHBondContact O-CB 3.18Å; I775-L779 WeakPolarHBondContact O-CG 3.18Å; I775-L779 PolarHBondContact O-N 2.95Å; A777-L779 PolarHBondContact O-N 3.19Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-K781 HydrophobicContact CB-CB 4.41Å; L779-K781 HydrophobicContact CB-CD 4.25Å; L779-K781 HydrophobicContact CB-CG 4.08Å; L779-K781 HydrophobicContact CD1-CD 4.16Å
780	G	75.5	Confident	63.6	Low	61 Å²	61	73.4 Å²	73.4	63%	0.629	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	22	-171.2	0	0	0	0	0	113.5	T776 A777 I778	T776-G780 PolarHBondContact O-N 3.09Å; T776-G780 VanDerWaalsContact O-N 3.16Å; A777-G780 PolarHBondContact O-N 3.32Å; I778-G780 VanDerWaalsContact C-N 3.32Å
781	K	62.6	Low	61	Low	78 Å²	78	82.3 Å²	82.3	34%	0.339	45%	0.453	S	S	.	.			trans	-98.3	81.9	178.9	-68.2	179	-177.3	175.4	0	109	M743 T776 L779 Q783	M743-K781 HydrophobicContact CE-CB 4.24Å; M743-K781 HydrophobicContact CE-CD 4.18Å; M743-K781 HydrophobicContact SD-CD 4.47Å; T776-K781 WeakPolarHBondContact CG2-O 3.48Å; T776-K781 PolarHBondContact O-N 3.03Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-K781 HydrophobicContact CB-CB 4.41Å; L779-K781 HydrophobicContact CB-CD 4.25Å; L779-K781 HydrophobicContact CB-CG 4.08Å; L779-K781 HydrophobicContact CD1-CD 4.16Å; K781-Q783 PolarHBondContact O-N 3.11Å
782	T	43.5	Very low	58.4	Low	121 Å²	121	83.9 Å²	83.9	74%	0.742	45%	0.451	S	S	*	.			trans	-49.3	129.1	174.2	19.4	0	0	0	0	110.7	L784	T782-L784 PolarHBondContact O-N 3.04Å
783	Q	44.2	Very low	56.1	Low	97 Å²	97	87.7 Å²	87.7	45%	0.453	47%	0.471	S	S	.	.			trans	-75.7	73.5	174.3	-71.8	-175.7	31.7	0	0	110.3	T776 K781	T776-Q783 HydrophobicContact CG2-CG 3.96Å; T776-Q783 PolarHBondContact OG1-NE2 3.28Å; K781-Q783 PolarHBondContact O-N 3.11Å
784	L	31.8	Very low	53.9	Low	144 Å²	144	91.7 Å²	91.7	75%	0.754	48%	0.481	S	S	*	.			trans	-58.4	134.3	150	-65.6	170.5	0	0	0	107.1	T782	T782-L784 PolarHBondContact O-N 3.04Å
785	T	30.8	Very low	51.2	Low	104 Å²	104	93.4 Å²	93.4	64%	0.638	50%	0.497	S	S	*	.	S	Bend	trans	62.9	78.6	172.9	62.9	0	0	0	0	117.3	L789	T785-L789 HydrophobicContact CG2-CD1 3.52Å
786	T	35.7	Very low	48.7	Very low	44 Å²	44	100.9 Å²	100.9	27%	0.27	54%	0.536	S	S	.	.	S	Bend	trans	-146	-58.7	145.2	-54.6	0	0	0	0	111.5	Y788 L789 S790	T786-Y788 VanDerWaalsContact C-N 3.26Å; T786-Y788 PolarHBondContact O-N 3.19Å; T786-L789 PolarHBondContact O-N 3.39Å; T786-L789 VanDerWaalsContact O-N 3.11Å; T786-S790 PolarHBondContact O-N 3.37Å; T786-S790 VanDerWaalsContact O-N 3.1Å; T786-S790 PolarHBondContact O-OG 3.29Å; T786-S790 VanDerWaalsContact O-OG 3.12Å
787	D	34.4	Very low	46	Very low	115 Å²	115	104.8 Å²	104.8	62%	0.615	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-15.7	-170.7	-66.1	-10	0	0	0	115.4
788	Y	37.4	Very low	43.5	Very low	179 Å²	179	109.1 Å²	109.1	70%	0.702	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-16.5	173.9	-79.2	-86.2	0	0	0	113.8	T786 Y792	T786-Y788 VanDerWaalsContact C-N 3.26Å; T786-Y788 PolarHBondContact O-N 3.19Å; Y788-Y792 WeakPolarHBondContact O-CD2 3.39Å
789	L	37.7	Very low	40.9	Very low	99 Å²	99	116.5 Å²	116.5	52%	0.518	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.7	-34.2	-179.9	-85.6	150.2	0	0	0	112.1	T785 T786 R791 Y792 D793	T785-L789 HydrophobicContact CG2-CD1 3.52Å; T786-L789 PolarHBondContact O-N 3.39Å; T786-L789 VanDerWaalsContact O-N 3.11Å; L789-R791 PolarHBondContact O-N 3.23Å; L789-Y792 PolarHBondContact O-N 3.05Å; L789-Y792 VanDerWaalsContact O-N 3.13Å; L789-D793 PolarHBondContact O-N 3.19Å
790	S	36.1	Very low	38.3	Very low	75 Å²	75	122.6 Å²	122.6	52%	0.524	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-1.6	175.1	56.8	0	0	0	0	115.1	T786	T786-S790 PolarHBondContact O-N 3.37Å; T786-S790 VanDerWaalsContact O-N 3.1Å; T786-S790 PolarHBondContact O-OG 3.29Å; T786-S790 VanDerWaalsContact O-OG 3.12Å
791	R	35.4	Very low	36	Very low	198 Å²	198	126.6 Å²	126.6	75%	0.747	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-13.1	176.9	-151.9	-179.1	-57.8	-150	2.4	114.4	L789	L789-R791 PolarHBondContact O-N 3.23Å
792	Y	34.3	Very low	34.4	Very low	110 Å²	110	130.2 Å²	130.2	43%	0.431	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.1	-20.3	176.5	-78.5	-89.5	0	0	0	112.7	D533 Y788 L789 Q794 T795	D533-Y792 HydrophobicContact CB-CE1 4.26Å; Y788-Y792 WeakPolarHBondContact O-CD2 3.39Å; L789-Y792 PolarHBondContact O-N 3.05Å; L789-Y792 VanDerWaalsContact O-N 3.13Å; Y792-Q794 PolarHBondContact O-N 3.38Å; Y792-T795 PolarHBondContact O-N 3.37Å; Y792-T795 PolarHBondContact O-OG1 3.5Å
793	D	33.1	Very low	33.9	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	26.8	-178.6	-134.8	2.6	0	0	0	113.8	L789	L789-D793 PolarHBondContact O-N 3.19Å
794	Q	36.3	Very low	33.1	Very low	164 Å²	164	132.1 Å²	132.1	77%	0.766	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.4	-0.2	179.1	-70.2	-168	-17.2	0	0	114.3	Y792	Y792-Q794 PolarHBondContact O-N 3.38Å
795	T	32.9	Very low	33.1	Very low	109 Å²	109	134.2 Å²	134.2	67%	0.669	70%	0.702	S	S	*	*	S	Bend	trans	-121.1	-3.2	-174.6	47.2	0	0	0	0	115	Y792	Y792-T795 PolarHBondContact O-N 3.37Å; Y792-T795 PolarHBondContact O-OG1 3.5Å
796	L	34.1	Very low	33	Very low	158 Å²	158	139 Å²	139	83%	0.827	71%	0.714	S	S	*	*	S	Bend	trans	-112.7	5	-178.5	-79	166.1	0	0	0	114.7	L798	L796-L798 VanDerWaalsContact C-N 3.34Å; L796-L798 PolarHBondContact O-N 2.75Å
797	S	29.4	Very low	32.8	Very low	104 Å²	104	145.3 Å²	145.3	73%	0.727	75%	0.745	S	S	*	*	S	Bend	trans	-94.9	36.1	-177.9	68.6	0	0	0	0	113.9
798	L	33.2	Very low	32.6	Very low	162 Å²	162	145 Å²	145	85%	0.848	75%	0.752	S	S	*	*			trans	-165.3	83.6	176.8	-108.4	166.1	0	0	0	110.3	L796	L796-L798 VanDerWaalsContact C-N 3.34Å; L796-L798 PolarHBondContact O-N 2.75Å
799	E	33.5	Very low	32	Very low	171 Å²	171	142.3 Å²	142.3	80%	0.799	75%	0.754	S	S	*	*			trans	-175.9	137.2	136.4	-104.6	177.8	-149.5	0	0	114.3
800	N	31.8	Very low	31.5	Very low	134 Å²	134	145.7 Å²	145.7	72%	0.717	77%	0.767	S	S	*	*			trans	59.3	95.8	148.2	-58.1	-34	0	0	0	121
801	N	28.1	Very low	31.2	Very low	145 Å²	145	149.3 Å²	149.3	78%	0.775	78%	0.78	S	S	*	*			trans	-54.4	168.5	159.3	-50.6	-80.7	0	0	0	114.1
802	N	28.5	Very low	31.1	Very low	153 Å²	153	146.6 Å²	146.6	82%	0.818	78%	0.78	S	S	*	*			trans	75.8	98	160.8	-50.7	-32.3	0	0	0	117.2
803	V	33	Very low	30.7	Very low	135 Å²	135	149.8 Å²	149.8	82%	0.818	80%	0.804	S	S	*	*				-155.6	143.6	94.6	146.4	0	0	0	0	108.4
804	S	28	Very low	30.4	Very low	123 Å²	123	147.9 Å²	147.9	86%	0.86	80%	0.797	S	S	*	*			trans	-111.5	105.8	-179	-63.9	0	0	0	0	111
805	E	32.1	Very low	30	Very low	188 Å²	188	147.1 Å²	147.1	88%	0.879	80%	0.799	S	S	*	*			trans	-117.9	146.9	160.6	-69.9	-147.4	123	0	0	111.1
806	K	29	Very low	29.8	Very low	204 Å²	204	151.4 Å²	151.4	89%	0.887	81%	0.808	S	S	*	*			trans	-99.2	130.8	-173.3	-60.7	168.4	-177.6	169.1	0	109.6
807	L	30.3	Very low	29.6	Very low	178 Å²	178	151.6 Å²	151.6	93%	0.932	81%	0.807	S	S	*	*			trans	-137.3	159.1	146.6	-142.5	66.1	0	0	0	111.2
808	S	29.6	Very low	29.3	Very low	107 Å²	107	153.4 Å²	153.4	75%	0.748	81%	0.808	S	S	*	*			trans	-86.2	157.9	-152.4	51.4	0	0	0	0	115.3
809	T	26.2	Very low	29.2	Very low	123 Å²	123	152 Å²	152	76%	0.755	81%	0.806	S	S	*	*			trans	-61.9	168.6	161.2	46.7	0	0	0	0	112.6
810	H	26	Very low	28.8	Very low	171 Å²	171	151 Å²	151	79%	0.792	81%	0.807	S	S	*	*			trans	79	144.8	178.8	-79.8	-100.5	0	0	0	117.9
811	N	30.1	Very low	28.6	Very low	150 Å²	150	150 Å²	150	80%	0.802	81%	0.809	S	S	*	*			trans	71.5	131.5	-170.9	-47.7	-37.6	0	0	0	113.2
812	L	33.1	Very low	28.6	Very low	142 Å²	142	149.1 Å²	149.1	74%	0.743	80%	0.804	S	S	*	*			cis	-137.6	94.2	12.4	-164.3	75.5	0	0	0	112.7	T814	L812-T814 PolarHBondContact O-N 3.49Å
813	L	26.3	Very low	28.5	Very low	176 Å²	176	150.4 Å²	150.4	92%	0.921	81%	0.808	S	S	*	*			trans	-83.9	86.7	160.9	-88	89.8	0	0	0	110.1
814	T	26.6	Very low	28.3	Very low	108 Å²	108	149.8 Å²	149.8	66%	0.663	80%	0.8	S	S	*	*			trans	-166.8	99.4	156	17.8	0	0	0	0	111.7	L812	L812-T814 PolarHBondContact O-N 3.49Å
815	N	28.2	Very low	28.3	Very low	149 Å²	149	150.4 Å²	150.4	80%	0.797	80%	0.799	S	S	*	*			trans	-158.9	69.8	143.8	-110.8	-22.2	0	0	0	111	M817	N815-M817 PolarHBondContact O-N 3.46Å
816	K	29.3	Very low	28.2	Very low	198 Å²	198	149 Å²	149	86%	0.861	80%	0.795	S	S	*	*			trans	-76.7	112.5	157.4	-80.3	-176.9	175.3	179.4	0	107.6
817	M	28.5	Very low	28.2	Very low	162 Å²	162	144.7 Å²	144.7	80%	0.798	79%	0.791	S	S	*	*			trans	-110.2	126.1	155.4	-69	-161.9	179.5	0	0	108.7	N815	N815-M817 PolarHBondContact O-N 3.46Å
818	N	24.9	Very low	28.1	Very low	142 Å²	142	143 Å²	143	76%	0.759	78%	0.783	S	S	*	*			trans	-75.3	126.1	176.7	-71.3	-28.5	0	0	0	109.5
819	T	30.4	Very low	27.9	Very low	132 Å²	132	143.8 Å²	143.8	81%	0.81	79%	0.787	S	S	*	*			trans	-114.5	98.2	155.2	44.2	0	0	0	0	108.6	C821	T819-C821 VanDerWaalsContact C-N 3.34Å; T819-C821 PolarHBondContact O-N 3.46Å
820	N	25.9	Very low	28	Very low	150 Å²	150	147.2 Å²	147.2	80%	0.802	79%	0.786	S	S	*	*			trans	-70.1	87.2	175.2	-80.5	-14.9	0	0	0	110.2	N822	N820-N822 PolarHBondContact O-N 3.24Å; N820-N822 VanDerWaalsContact O-N 3.11Å
821	C	26.3	Very low	28.2	Very low	113 Å²	113	145 Å²	145	76%	0.764	79%	0.785	S	S	*	*			trans	-70.7	100.4	160	53.5	0	0	0	0	108.5	T819 M823	T819-C821 VanDerWaalsContact C-N 3.34Å; T819-C821 PolarHBondContact O-N 3.46Å; C821-M823 PolarHBondContact O-N 3.19Å; C821-M823 VanDerWaalsContact O-N 3.09Å
822	N	28.3	Very low	28.1	Very low	128 Å²	128	143.8 Å²	143.8	68%	0.684	77%	0.774	S	S	*	*			trans	-65.2	106.8	-170.6	-173	5.4	0	0	0	111.7	N820 N824	N820-N822 PolarHBondContact O-N 3.24Å; N820-N822 VanDerWaalsContact O-N 3.11Å; N822-N824 PolarHBondContact O-N 3.42Å; N822-N824 PolarHBondContact OD1-ND2 3.37Å
823	M	26.8	Very low	27.8	Very low	180 Å²	180	144.1 Å²	144.1	89%	0.887	78%	0.777	S	S	*	*			trans	-73.9	72.3	174.3	-84	-77.7	-170.6	0	0	111.2	C821	C821-M823 PolarHBondContact O-N 3.19Å; C821-M823 VanDerWaalsContact O-N 3.09Å
824	N	27.6	Very low	27.9	Very low	121 Å²	121	143.1 Å²	143.1	65%	0.647	77%	0.77	S	S	*	*			trans	-147.4	145.6	169.2	-88.5	-62.5	0	0	0	110.8	N822	N822-N824 PolarHBondContact O-N 3.42Å; N822-N824 PolarHBondContact OD1-ND2 3.37Å
825	T	28.9	Very low	28	Very low	137 Å²	137	143.9 Å²	143.9	84%	0.84	78%	0.775	S	S	*	*	S	Bend	trans	66.1	125.2	-167.2	76.4	0	0	0	0	113.4
826	I	29.6	Very low	27.9	Very low	158 Å²	158	147.6 Å²	147.6	81%	0.81	78%	0.778	S	S	*	*			cis	-127.3	110.6	-8.2	-58.6	178.6	0	0	0	109.1
827	S	28.8	Very low	28	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	77%	0.774	S	S	*	*			trans	-100.9	97.4	168.2	57.7	0	0	0	0	110.2
828	N	29.8	Very low	28.1	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	78%	0.777	S	S	*	*			trans	-153.7	87.4	167.5	-108.1	-23.7	0	0	0	113.2
829	C	25.5	Very low	28.1	Very low	125 Å²	125	144.2 Å²	144.2	85%	0.845	78%	0.781	S	S	*	*			trans	-139.2	46.5	163.4	-99.5	0	0	0	0	109.6	V831	C829-V831 PolarHBondContact O-N 3.49Å
830	R	28.2	Very low	28.1	Very low	195 Å²	195	143.3 Å²	143.3	74%	0.736	78%	0.779	S	S	*	*			trans	-75.2	114.2	174.3	-170.1	177.4	173.7	126.2	-0.6	108.1	E832	R830-E832 HydrophobicContact CB-CG 4.41Å; R830-E832 VanDerWaalsContact CD-OE1 3.31Å; R830-E832 WeakPolarHBondContact CD-OE1 3.42Å; R830-E832 HydrophobicContact CG-CG 3.77Å; R830-E832 IonicContact CZ-OE1 2.94Å; R830-E832 IonicContact NE-OE1 3.76Å; R830-E832 PolarHBondContact NE-OE1 3.26Å; R830-E832 IonicContact NH2-OE1 3.52Å; R830-E832 PolarHBondContact O-N 3.37Å; R830-E832 VanDerWaalsContact O-N 3.12Å
831	V	30.1	Very low	28.2	Very low	125 Å²	125	144.7 Å²	144.7	76%	0.758	78%	0.781	S	S	*	*			trans	-78.3	94.9	173.7	179.2	0	0	0	0	107.6	C829	C829-V831 PolarHBondContact O-N 3.49Å
832	E	27	Very low	28.1	Very low	124 Å²	124	144.9 Å²	144.9	58%	0.579	78%	0.782	S	S	*	*			trans	-88.2	132.7	175.4	-60.7	-154.7	134.4	0	0	111.1	R830 I834	R830-E832 HydrophobicContact CB-CG 4.41Å; R830-E832 VanDerWaalsContact CD-OE1 3.31Å; R830-E832 WeakPolarHBondContact CD-OE1 3.42Å; R830-E832 HydrophobicContact CG-CG 3.77Å; R830-E832 IonicContact CZ-OE1 2.94Å; R830-E832 IonicContact NE-OE1 3.76Å; R830-E832 PolarHBondContact NE-OE1 3.26Å; R830-E832 IonicContact NH2-OE1 3.52Å; R830-E832 PolarHBondContact O-N 3.37Å; R830-E832 VanDerWaalsContact O-N 3.12Å; E832-I834 VanDerWaalsContact C-N 3.35Å; E832-I834 PolarHBondContact O-N 3.1Å
833	N	26.8	Very low	28	Very low	149 Å²	149	144 Å²	144	80%	0.797	79%	0.787	S	S	*	*			trans	-74.4	85.3	176.9	-73.9	-32	0	0	0	109.9	T835	N833-T835 VanDerWaalsContact C-N 3.29Å; N833-T835 PolarHBondContact O-N 3.28Å
834	I	28.2	Very low	28	Very low	154 Å²	154	142.9 Å²	142.9	79%	0.79	78%	0.783	S	S	*	*			trans	-76.4	84.6	172.5	-56.3	-178.8	0	0	0	109.3	E832	E832-I834 VanDerWaalsContact C-N 3.35Å; E832-I834 PolarHBondContact O-N 3.1Å
835	T	29.8	Very low	28	Very low	125 Å²	125	143.6 Å²	143.6	77%	0.767	79%	0.787	S	S	*	*			trans	-62.1	130.5	157.4	41.7	0	0	0	0	109.2	N833 N837	N833-T835 VanDerWaalsContact C-N 3.29Å; N833-T835 PolarHBondContact O-N 3.28Å; T835-N837 PolarHBondContact O-N 3.21Å
836	R	25.4	Very low	27.9	Very low	227 Å²	227	140.2 Å²	140.2	86%	0.857	77%	0.769	S	S	*	*			trans	-65.8	123.1	175.5	-60.2	172.2	-178.8	153.5	-1.7	110
837	N	31.3	Very low	27.9	Very low	145 Å²	145	140 Å²	140	78%	0.775	76%	0.764	S	S	*	*				169.2	160.4	124.3	-85.6	-9.6	0	0	0	113.6	T835	T835-N837 PolarHBondContact O-N 3.21Å
838	S	31.4	Very low	28	Very low	123 Å²	123	140.9 Å²	140.9	86%	0.86	76%	0.756	S	S	*	*			trans	65.4	120.5	159.1	35.1	0	0	0	0	119.5
839	I	25	Very low	28	Very low	163 Å²	163	140.3 Å²	140.3	84%	0.836	75%	0.753	S	S	*	*			trans	-99	131.5	-179	-65.3	154.3	0	0	0	110.9
840	S	30	Very low	28.3	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	75%	0.75	S	S	*	*			trans	-178.6	118.4	144.8	43	0	0	0	0	108.3
841	Q	26.6	Very low	28.5	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	75%	0.748	S	S	*	*				75.9	144.8	64.5	-81.7	-157.2	-20.1	0	0	115.9
842	C	24.9	Very low	28.6	Very low	116 Å²	116	137.6 Å²	137.6	78%	0.784	75%	0.751	S	S	*	*			trans	70.9	117.2	-172.2	-55.9	0	0	0	0	113.8
843	S	26.5	Very low	28.8	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	76%	0.757	S	S	*	*			cis	79.7	154.7	26.1	-41.1	0	0	0	0	115
844	L	27.5	Very low	29	Very low	155 Å²	155	138.6 Å²	138.6	81%	0.812	76%	0.758	S	S	*	*			trans	75	150.2	-168.8	-46.6	169.2	0	0	0	112.5
845	N	26.6	Very low	29.3	Very low	136 Å²	136	136.2 Å²	136.2	73%	0.727	76%	0.755	S	S	*	*			cis	-169.5	168.6	-14.3	-112.2	20.7	0	0	0	107.3
846	S	26.8	Very low	29.6	Very low	66 Å²	66	135.3 Å²	135.3	46%	0.462	75%	0.752	S	S	.	*			cis	-177.5	169.6	-24.4	47.4	0	0	0	0	108.4
847	Q	30.1	Very low	30	Very low	154 Å²	154	133 Å²	133	72%	0.72	75%	0.75	S	S	*	*			trans	69	162.2	157	-70.4	158.5	-62.5	0	0	116.6
848	Q	30.7	Very low	29.9	Very low	132 Å²	132	133.4 Å²	133.4	62%	0.617	75%	0.753	S	S	*	*			cis	-155.9	161.1	-1.7	-130.1	166.5	-89.8	0	0	113
849	D	29.8	Very low	30.1	Very low	130 Å²	130	134.8 Å²	134.8	70%	0.695	76%	0.756	S	S	*	*			trans	58.3	149.4	155.5	-52	-37	0	0	0	118.4
850	S	31.9	Very low	30.3	Very low	110 Å²	110	133.6 Å²	133.6	77%	0.769	75%	0.751	S	S	*	*			cis	-144.2	169.2	16.4	-54.7	0	0	0	0	108.9
851	S	32.5	Very low	30.1	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	75%	0.745	S	S	*	*			cis	-169.8	-177	-7.7	34.9	0	0	0	0	108.9
852	E	32.7	Very low	30.5	Very low	175 Å²	175	134.1 Å²	134.1	82%	0.818	75%	0.748	S	S	*	*			trans	72.3	134.4	166.5	-56.5	-166.4	177.4	0	0	118.4
853	I	31	Very low	30.8	Very low	138 Å²	138	134.9 Å²	134.9	71%	0.708	75%	0.749	S	S	*	*			cis	-162.4	144.1	-25.1	-129	163.7	0	0	0	109.4
854	L	31.3	Very low	31.2	Very low	156 Å²	156	135 Å²	135	82%	0.817	75%	0.747	S	S	*	*			trans	61.7	151.2	174.1	-63.4	160.8	0	0	0	117.8
855	S	33.6	Very low	31.3	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	74%	0.742	S	S	*	*			cis	-163.3	162.9	-33.9	-113.8	0	0	0	0	110.7
856	P	35.9	Very low	31.7	Very low	106 Å²	106	135 Å²	135	69%	0.688	75%	0.75	S	S	*	*			trans	-121.3	168.9	-157	42.5	-33.2	0	0	0	117.9
857	Q	35	Very low	32.2	Very low	178 Å²	178	137.1 Å²	137.1	83%	0.832	76%	0.764	S	S	*	*			trans	-167.9	119	146.4	-104.1	149.8	87.8	0	0	109.5
858	N	28.8	Very low	32.6	Very low	154 Å²	154	135.1 Å²	135.1	82%	0.824	77%	0.765	S	S	*	*				70.8	115.4	83.1	-85.5	-13.8	0	0	0	116.2
859	V	34.5	Very low	32.6	Very low	152 Å²	152	134.4 Å²	134.4	92%	0.921	77%	0.769	S	S	*	*				-172.2	161.5	117.7	146.7	0	0	0	0	108.6
860	N	30.5	Very low	32.8	Very low	139 Å²	139	137.2 Å²	137.2	74%	0.743	78%	0.776	S	S	*	*			trans	-136.2	157.2	-148.7	-168.9	27.6	0	0	0	115.4
861	C	25.9	Very low	33	Very low	97 Å²	97	137 Å²	137	66%	0.655	77%	0.774	S	S	*	*			trans	46.2	134.5	160.2	-75.6	0	0	0	0	121.8
862	K	34	Very low	33.1	Very low	206 Å²	206	137.3 Å²	137.3	90%	0.896	78%	0.776	S	S	*	*				-173.8	131	108.3	-98.3	155.6	-174.5	176.3	0	114.5
863	T	30.4	Very low	33.3	Very low	132 Å²	132	133 Å²	133	81%	0.81	77%	0.766	S	S	*	*			trans	-105	154.5	150.5	49.8	0	0	0	0	107.9
864	P	35.1	Very low	33.5	Very low	113 Å²	113	133 Å²	133	73%	0.734	77%	0.767	S	S	*	*				-129.3	169.1	83.2	9.8	14.8	0	0	0	111.7
865	S	30.9	Very low	33.6	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	76%	0.761	S	S	*	*			cis	96	151.7	28.4	92.3	0	0	0	0	116.1
866	E	34.2	Very low	33.5	Very low	190 Å²	190	132.8 Å²	132.8	89%	0.888	76%	0.758	S	S	*	*			trans	76.4	148.4	-179.3	-52.8	-178.9	-174.6	0	0	115.7
867	S	36.7	Very low	33.4	Very low	110 Å²	110	135.6 Å²	135.6	77%	0.769	76%	0.761	S	S	*	*			cis	-143	164.9	9.7	59.5	0	0	0	0	114.1
868	P	38.3	Very low	33.2	Very low	113 Å²	113	133.5 Å²	133.5	73%	0.734	76%	0.755	S	S	*	*			trans	-131.8	-166.7	-163.1	33.5	-11.1	0	0	0	116.6
869	T	32	Very low	33.2	Very low	116 Å²	116	133.2 Å²	133.2	71%	0.712	75%	0.753	S	S	*	*			trans	127.4	155.2	136.8	67.2	0	0	0	0	119.6
870	K	34.5	Very low	33.2	Very low	190 Å²	190	130.3 Å²	130.3	83%	0.826	74%	0.739	S	S	*	*			trans	77.7	140.3	166.5	-57.5	173.3	-172.9	176	0	116.4
871	S	35.5	Very low	33.3	Very low	105 Å²	105	128 Å²	128	73%	0.734	73%	0.734	S	S	*	*			cis	-178.3	150.4	-14.8	44.8	0	0	0	0	107.7
872	S	34.7	Very low	33.4	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	74%	0.741	S	S	*	*			cis	-164.8	-152.8	-9.9	49.8	0	0	0	0	106.1
873	S	37.4	Very low	33.4	Very low	86 Å²	86	130 Å²	130	60%	0.601	74%	0.738	S	S	*	*			cis	-171.8	148.9	0.1	16.3	0	0	0	0	108.9
874	N	33.6	Very low	33.5	Very low	136 Å²	136	128.3 Å²	128.3	73%	0.727	73%	0.733	S	S	*	*			trans	66.8	148.7	152.3	-62.3	29.7	0	0	0	118.5
875	E	34.5	Very low	33.4	Very low	149 Å²	149	129.7 Å²	129.7	70%	0.696	73%	0.732	S	S	*	*			cis	-151.1	118.6	0	-112.1	151	-129.2	0	0	107.8
876	T	30.5	Very low	33.5	Very low	107 Å²	107	132.4 Å²	132.4	66%	0.656	74%	0.739	S	S	*	*				80	150.6	89.1	59.8	0	0	0	0	118.6
877	H	34.4	Very low	33.3	Very low	165 Å²	165	126.7 Å²	126.7	76%	0.764	73%	0.73	S	S	*	*			trans	75.4	135.9	162.6	-67.2	-59.3	0	0	0	118.3
878	L	31	Very low	33.1	Very low	135 Å²	135	127.6 Å²	127.6	71%	0.707	73%	0.731	S	S	*	*			cis	-153.3	150.5	-2.4	-97.3	164.7	0	0	0	111.9
879	L	29.4	Very low	32.7	Very low	147 Å²	147	127.1 Å²	127.1	77%	0.77	73%	0.731	S	S	*	*			trans	20.5	154	138.4	-88.7	58.5	0	0	0	122.2
880	S	33.5	Very low	32.6	Very low	92 Å²	92	127.8 Å²	127.8	64%	0.643	74%	0.735	S	S	*	*			cis	-166.9	151.2	13.1	-136.6	0	0	0	0	115.9
881	S	32.3	Very low	32.6	Very low	89 Å²	89	124.4 Å²	124.4	62%	0.622	73%	0.732	S	S	*	*			trans	18.9	156.5	132.7	68.3	0	0	0	0	123.2
882	N	29.2	Very low	32.4	Very low	153 Å²	153	127.2 Å²	127.2	82%	0.818	74%	0.738	S	S	*	*			cis	-177.8	178.4	-11.6	-101.2	-22	0	0	0	110.3
883	K	33.5	Very low	32.1	Very low	192 Å²	192	127.9 Å²	127.9	84%	0.835	73%	0.733	S	S	*	*			trans	91.1	129.3	167.1	-54.4	176	-178.9	178.3	0	115.8
884	S	31.5	Very low	31.8	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	74%	0.741	S	S	*	*			cis	90.5	126.3	16.6	84.8	0	0	0	0	117.3
885	I	34.9	Very low	31.5	Very low	142 Å²	142	133.3 Å²	133.3	73%	0.728	74%	0.742	S	S	*	*				165	127.1	129.7	-88.6	158.2	0	0	0	112
886	N	31.9	Very low	31.3	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	75%	0.75	S	S	*	*			trans	45.3	159.7	153.7	-54.4	-1.7	0	0	0	120.3
887	G	30.8	Very low	31.2	Very low	69 Å²	69	134 Å²	134	71%	0.711	75%	0.751	S	S	*	*			cis	155.1	169.8	6.1	0	0	0	0	0	107.8
888	V	30.8	Very low	31	Very low	130 Å²	130	133.1 Å²	133.1	79%	0.788	75%	0.75	S	S	*	*			cis	-169.1	144.9	-1.8	119.2	0	0	0	0	108.7
889	S	30.5	Very low	30.8	Very low	103 Å²	103	133 Å²	133	72%	0.72	75%	0.751	S	S	*	*			trans	60.5	157.1	161.1	71.1	0	0	0	0	120.5
890	T	29.6	Very low	30.9	Very low	130 Å²	130	133.4 Å²	133.4	80%	0.798	75%	0.753	S	S	*	*			cis	-163.4	150.1	-21.1	21.3	0	0	0	0	109.4
891	P	34.7	Very low	30.6	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	76%	0.762	S	S	*	*			trans	-112.7	155.1	177.8	39.7	-31.7	0	0	0	115.6
892	L	30.9	Very low	30.7	Very low	165 Å²	165	141.8 Å²	141.8	86%	0.864	78%	0.778	S	S	*	*			trans	-159.9	151.4	168.3	-78.1	-174.7	0	0	0	109
893	N	30	Very low	30.7	Very low	122 Å²	122	139.4 Å²	139.4	65%	0.652	77%	0.773	S	S	*	*			cis	-163.3	165.2	-23	-155.8	-2	0	0	0	110.9
894	Y	30.9	Very low	30.6	Very low	196 Å²	196	139 Å²	139	77%	0.769	77%	0.771	S	S	*	*			trans	62.1	145.3	163	-88.3	-72.5	0	0	0	123
895	N	26.7	Very low	30.4	Very low	140 Å²	140	140.7 Å²	140.7	75%	0.749	77%	0.772	S	S	*	*			trans	-81.1	165.4	171.8	-36.6	-68.6	0	0	0	111.1
896	D	30.9	Very low	30.1	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	77%	0.772	S	S	*	*				-154.6	-174.2	112.8	-136.2	-39	0	0	0	112.7
897	T	27.8	Very low	30.2	Very low	112 Å²	112	141.6 Å²	141.6	69%	0.687	77%	0.767	S	S	*	*			trans	-117.3	172.9	-148.3	-40.2	0	0	0	0	112.9
898	I	29.6	Very low	30.1	Very low	145 Å²	145	142.6 Å²	142.6	74%	0.744	76%	0.763	S	S	*	*			trans	94	125.2	160.6	-56.8	163.9	0	0	0	117.8
899	N	27.8	Very low	30.3	Very low	134 Å²	134	145.8 Å²	145.8	72%	0.717	77%	0.767	S	S	*	*			trans	25.1	123.6	156.5	-57.9	-20.8	0	0	0	120.6
900	N	31.6	Very low	30.4	Very low	155 Å²	155	148.1 Å²	148.1	83%	0.829	76%	0.764	S	S	*	*				-170.2	160	88.3	-101.8	-60.8	0	0	0	114.3
901	N	27.2	Very low	30.7	Very low	156 Å²	156	147.8 Å²	147.8	83%	0.834	76%	0.757	S	S	*	*			trans	-73.6	123.5	166.9	-72.6	-54.5	0	0	0	110.3
902	Q	33.3	Very low	30.7	Very low	201 Å²	201	146.4 Å²	146.4	94%	0.939	75%	0.751	S	S	*	*			trans	-150.9	165	155.3	-117.4	169.9	59.9	0	0	111.7
903	S	29.8	Very low	31	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	75%	0.746	S	S	*	*			trans	-121.1	167.8	-160.4	67.9	0	0	0	0	113.4
904	K	31.2	Very low	31.1	Very low	184 Å²	184	146.7 Å²	146.7	80%	0.8	75%	0.752	S	S	*	*			trans	90.4	122.7	160	-71.5	179.1	173	176.8	0	120.7
905	L	27.9	Very low	31.2	Very low	134 Å²	134	145.1 Å²	145.1	70%	0.702	76%	0.755	S	S	*	*			trans	92.9	119	130.3	-102.8	77	0	0	0	122.2
906	M	28.8	Very low	31.3	Very low	151 Å²	151	144.4 Å²	144.4	74%	0.744	76%	0.759	S	S	*	*			trans	69.7	153.3	143	-73.5	-168.9	-175.6	0	0	118.5
907	K	32.6	Very low	31.6	Very low	167 Å²	167	139.5 Å²	139.5	73%	0.726	75%	0.746	S	S	*	*			cis	-157.8	152.6	6.4	-138.9	165.5	-178.7	167.5	0	113.4
908	S	30.1	Very low	31.9	Very low	91 Å²	91	143.6 Å²	143.6	64%	0.636	75%	0.754	S	S	*	*			trans	60.7	155	162.5	-58.1	0	0	0	0	116.9
909	F	33.8	Very low	32.1	Very low	196 Å²	196	143.8 Å²	143.8	86%	0.86	76%	0.756	S	S	*	*			cis	-140.1	176	13.3	-69.5	-104.1	0	0	0	109.6
910	K	32.4	Very low	32.3	Very low	153 Å²	153	147.4 Å²	147.4	67%	0.665	76%	0.759	S	S	*	*			cis	-172.7	160.7	-46.8	-159.8	-179.5	163	-90.4	0	107
911	D	35.8	Very low	32.4	Very low	122 Å²	122	144.6 Å²	144.6	65%	0.652	75%	0.745	S	S	*	*			trans	72.7	140.2	163.9	-56.8	-38.2	0	0	0	118
912	S	36.1	Very low	32.7	Very low	90 Å²	90	143.7 Å²	143.7	63%	0.629	74%	0.735	S	S	*	*			cis	-163.8	161.5	-13.3	60.7	0	0	0	0	114.3
913	H	36.9	Very low	32.7	Very low	167 Å²	167	142.1 Å²	142.1	77%	0.773	73%	0.725	S	S	*	*			trans	57.1	124.2	167.2	-60.2	-71.2	0	0	0	120.3
914	V	32.5	Very low	32.9	Very low	126 Å²	126	145.6 Å²	145.6	76%	0.764	73%	0.73	S	S	*	*			cis	85.1	123.7	32.5	-174.9	0	0	0	0	112.2
915	I	33.6	Very low	33	Very low	163 Å²	163	141.6 Å²	141.6	84%	0.836	73%	0.725	S	S	*	*				-154.6	146.3	79.8	-73.8	163.7	0	0	0	113.1
916	C	27.2	Very low	33.1	Very low	125 Å²	125	141 Å²	141	85%	0.845	73%	0.728	S	S	*	*			trans	-154	157.4	157	-169	0	0	0	0	111.3
917	G	37.6	Very low	33.1	Very low	55 Å²	55	139 Å²	139	57%	0.567	73%	0.728	S	S	*	*			trans	-109.1	140.3	173	0	0	0	0	0	112.4
918	K	33.5	Very low	33.1	Very low	199 Å²	199	137.2 Å²	137.2	87%	0.865	73%	0.731	S	S	*	*				73.6	126	67.8	-76.5	-177	178.1	177.3	0	112
919	L	34.7	Very low	33	Very low	148 Å²	148	138 Å²	138	78%	0.775	74%	0.737	S	S	*	*			cis	-138.1	150.5	16	-77.1	108	0	0	0	111.4
920	R	32.2	Very low	33	Very low	210 Å²	210	137 Å²	137	79%	0.792	74%	0.74	S	S	*	*				71.9	135.7	73.3	-125.1	-165.3	175.3	-170.5	1	113.1
921	N	34.1	Very low	32.9	Very low	97 Å²	97	134.8 Å²	134.8	52%	0.519	74%	0.743	S	S	.	*			cis	-168.6	148.9	17.1	-155.1	30	0	0	0	114.3
922	Q	32.4	Very low	32.7	Very low	136 Å²	136	134.8 Å²	134.8	64%	0.636	75%	0.753	S	S	*	*			trans	56.1	154.8	144.8	-77.9	171.7	22.9	0	0	122.2
923	K	34.6	Very low	32.5	Very low	168 Å²	168	135.9 Å²	135.9	73%	0.73	76%	0.76	S	S	*	*			cis	-146.5	148.8	10.5	-100.7	140.2	-179.9	-174.4	0	109.2
924	H	32.5	Very low	32.3	Very low	175 Å²	175	132.6 Å²	132.6	81%	0.81	76%	0.757	S	S	*	*				50.7	137.3	88.6	-60.3	-72	0	0	0	116
925	S	33.5	Very low	32.3	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	75%	0.753	S	S	*	*			cis	-155.8	148.8	24.8	-47	0	0	0	0	116.9
926	T	31.5	Very low	32.2	Very low	123 Å²	123	129.2 Å²	129.2	76%	0.755	75%	0.752	S	S	*	*			trans	45.1	126	135.3	60.3	0	0	0	0	125.9
927	S	28.3	Very low	32.4	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	75%	0.75	S	S	*	*			trans	61.7	156.2	135.8	66.1	0	0	0	0	120.5
928	T	32.5	Very low	32.3	Very low	130 Å²	130	130.9 Å²	130.9	80%	0.798	76%	0.756	S	S	*	*			cis	-148.2	160.9	19.9	-39.1	0	0	0	0	112.1
929	S	28.3	Very low	32.3	Very low	107 Å²	107	126.6 Å²	126.6	75%	0.748	75%	0.751	S	S	*	*			trans	-78.9	152	173.9	54.3	0	0	0	0	114.6
930	L	34.2	Very low	32.3	Very low	175 Å²	175	125.3 Å²	125.3	92%	0.916	75%	0.754	S	S	*	*			trans	-162.4	162	136.8	-108.7	165.6	0	0	0	110.7
931	S	28.4	Very low	32.3	Very low	106 Å²	106	120.1 Å²	120.1	74%	0.741	76%	0.756	S	S	*	*			trans	-136.6	138.5	-162.5	56.8	0	0	0	0	113.8
932	S	33.3	Very low	32.4	Very low	123 Å²	123	121.5 Å²	121.5	86%	0.86	77%	0.773	S	S	*	*			trans	-160.9	154.9	157.3	48.5	0	0	0	0	112.3
933	S	30.3	Very low	32.5	Very low	112 Å²	112	120.3 Å²	120.3	78%	0.783	78%	0.78	S	S	*	*			trans	-70.1	176.4	171.4	56.4	0	0	0	0	111.8
934	S	33.7	Very low	32.7	Very low	99 Å²	99	117.9 Å²	117.9	69%	0.692	78%	0.782	S	S	*	*			cis	-161	171.4	24.7	46.8	0	0	0	0	112.8
935	S	32.9	Very low	33.2	Very low	100 Å²	100	115 Å²	115	70%	0.699	78%	0.778	S	S	*	*			trans	3.9	146	152.9	60	0	0	0	0	120.2
936	C	30.7	Very low	33.5	Very low	118 Å²	118	115.4 Å²	115.4	80%	0.797	78%	0.779	S	S	*	*				-154	172.7	54.8	-67.6	0	0	0	0	116.2
937	S	32.2	Very low	33.6	Very low	117 Å²	117	118.2 Å²	118.2	82%	0.818	79%	0.788	S	S	*	*			trans	-55.5	176.9	169.4	-24.8	0	0	0	0	115
938	S	34.6	Very low	33.6	Very low	97 Å²	97	120.1 Å²	120.1	68%	0.678	79%	0.788	S	S	*	*			cis	-163.8	172.4	11.3	49.6	0	0	0	0	112.4
939	S	34	Very low	33.6	Very low	109 Å²	109	122.5 Å²	122.5	76%	0.762	79%	0.793	S	S	*	*			trans	65.5	150.2	150.8	42	0	0	0	0	119.2
940	S	35.2	Very low	33.6	Very low	121 Å²	121	122.5 Å²	122.5	85%	0.846	79%	0.788	S	S	*	*			cis	-153	171.8	-3.5	40.7	0	0	0	0	111.4
941	A	31.9	Very low	33.6	Very low	101 Å²	101	120.9 Å²	120.9	84%	0.835	79%	0.786	S	S	*	*			trans	-89	159.1	-168.5	0	0	0	0	0	115.9
942	S	35.6	Very low	33.5	Very low	126 Å²	126	122.4 Å²	122.4	88%	0.881	79%	0.791	S	S	*	*			trans	-162.5	165.6	143.9	49.2	0	0	0	0	111.1
943	S	34.3	Very low	33.5	Very low	111 Å²	111	124.3 Å²	124.3	78%	0.776	79%	0.79	S	S	*	*			trans	-124.7	-161.2	-167.9	58.9	0	0	0	0	112.3
944	P	39.1	Very low	33.4	Very low	117 Å²	117	125 Å²	125	76%	0.76	79%	0.79	S	S	*	*				-110.5	-126.6	-111.1	30	-7.3	0	0	0	116
945	P	42.3	Very low	33.3	Very low	115 Å²	115	126.6 Å²	126.6	75%	0.747	80%	0.795	S	S	*	*				-122.8	-149.1	-125.4	43.4	-23.8	0	0	0	112.1
946	P	40.3	Very low	33.2	Very low	109 Å²	109	125.8 Å²	125.8	71%	0.708	79%	0.789	S	S	*	*			cis	-117.4	168.5	-44.8	35.7	-22.5	0	0	0	112.3
947	L	33.9	Very low	33.2	Very low	182 Å²	182	126.3 Å²	126.3	95%	0.953	79%	0.789	S	S	*	*			trans	-143.1	160.1	159.7	-87.3	-175.5	0	0	0	114.1
948	I	28.6	Very low	33.1	Very low	147 Å²	147	127.2 Å²	127.2	75%	0.754	79%	0.785	S	S	*	*			trans	-122.1	133.9	-171.2	-61.9	164.4	0	0	0	109.8	T950	I948-T950 HydrophobicContact CG2-CG2 4.48Å
949	M	32.5	Very low	33	Very low	180 Å²	180	129.2 Å²	129.2	89%	0.887	79%	0.787	S	S	*	*			trans	-144.4	113.3	149.6	-78.4	-164.4	171.6	0	0	107.7
950	T	27.3	Very low	32.8	Very low	107 Å²	107	128.4 Å²	128.4	66%	0.656	78%	0.782	S	S	*	*				61.8	101.2	74.4	64.3	0	0	0	0	114.9	I948	I948-T950 HydrophobicContact CG2-CG2 4.48Å
951	T	34.3	Very low	32.6	Very low	142 Å²	142	127.7 Å²	127.7	87%	0.871	78%	0.776	S	S	*	*			trans	-164.2	119.3	133.5	7.1	0	0	0	0	110.1
952	T	26.7	Very low	32.5	Very low	137 Å²	137	128.3 Å²	128.3	84%	0.84	77%	0.77	S	S	*	*			trans	-94	135.9	166.5	44.3	0	0	0	0	109.4
953	I	33.7	Very low	32.4	Very low	164 Å²	164	130 Å²	130	84%	0.841	77%	0.768	S	S	*	*			trans	-147.6	138.3	153.6	-97.9	137.8	0	0	0	108.4
954	T	27.4	Very low	32.2	Very low	127 Å²	127	129 Å²	129	78%	0.779	76%	0.762	S	S	*	*			trans	-100.6	142.1	-178.7	48.7	0	0	0	0	111.4
955	T	32.3	Very low	31.7	Very low	132 Å²	132	128.7 Å²	128.7	81%	0.81	76%	0.762	S	S	*	*			trans	178.8	152.4	147.2	27	0	0	0	0	107.8
956	S	30.2	Very low	31.2	Very low	82 Å²	82	128 Å²	128	57%	0.573	76%	0.76	S	S	*	*			cis	159.4	140	-34.5	50.7	0	0	0	0	106.8
957	T	30.6	Very low	30.8	Very low	130 Å²	130	127.8 Å²	127.8	80%	0.798	76%	0.761	S	S	*	*			trans	61.2	160.6	169.9	67.6	0	0	0	0	114.9
958	N	30.6	Very low	30.7	Very low	135 Å²	135	124.4 Å²	124.4	72%	0.722	75%	0.753	S	S	*	*			cis	-150.2	-179.9	-3.5	-124	-23.5	0	0	0	106.9
959	L	32.5	Very low	31	Very low	139 Å²	139	122.7 Å²	122.7	73%	0.728	75%	0.751	S	S	*	*			cis	-151.8	165.1	8.8	-136.4	173.3	0	0	0	109.3
960	S	28.7	Very low	30.9	Very low	93 Å²	93	119.5 Å²	119.5	65%	0.65	75%	0.746	S	S	*	*			trans	-40.7	157.1	160.8	-43	0	0	0	0	115.8
961	S	31.3	Very low	30.9	Very low	105 Å²	105	119 Å²	119	73%	0.734	75%	0.748	S	S	*	*				157.4	162.5	92.5	55	0	0	0	0	108.3
962	T	30.8	Very low	30.7	Very low	115 Å²	115	120 Å²	120	71%	0.706	75%	0.747	S	S	*	*			cis	-168.4	164.7	-7.1	14.9	0	0	0	0	109.4
963	L	32.3	Very low	30.7	Very low	161 Å²	161	120.7 Å²	120.7	84%	0.843	74%	0.743	S	S	*	*			trans	67.1	151.9	159.6	-63.1	150.4	0	0	0	116.9
964	S	31.9	Very low	30.4	Very low	91 Å²	91	117.8 Å²	117.8	64%	0.636	73%	0.734	S	S	*	*			cis	-168.2	151.2	-16.3	48.2	0	0	0	0	110.9
965	S	28	Very low	30.4	Very low	109 Å²	109	120.7 Å²	120.7	76%	0.762	74%	0.736	S	S	*	*			trans	23.8	142.3	145.9	67.1	0	0	0	0	121.2
966	S	30.9	Very low	30.2	Very low	101 Å²	101	118.8 Å²	118.8	71%	0.706	73%	0.727	S	S	*	*			cis	-168.9	168.9	33.3	58.1	0	0	0	0	115.2
967	S	32	Very low	30.2	Very low	105 Å²	105	121 Å²	121	73%	0.734	73%	0.733	S	S	*	*			trans	53.6	106.5	142.5	61.3	0	0	0	0	121.9
968	S	33.1	Very low	30.3	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	73%	0.726	S	S	*	*			trans	-75.8	160.5	135.7	57.6	0	0	0	0	109.9
969	P	34.7	Very low	30.2	Very low	111 Å²	111	121.3 Å²	121.3	72%	0.721	72%	0.724	S	S	*	*				-154.3	-168.9	75.8	42.2	-21.1	0	0	0	115.7
970	S	29.4	Very low	30.2	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	73%	0.727	S	S	*	*			trans	33.4	146.8	143.4	-63.4	0	0	0	0	122
971	S	28.1	Very low	30.4	Very low	98 Å²	98	126.1 Å²	126.1	69%	0.685	73%	0.728	S	S	*	*			cis	-167.1	171.6	-1.1	49.4	0	0	0	0	108.1
972	L	29.7	Very low	30.5	Very low	163 Å²	163	130.2 Å²	130.2	85%	0.853	73%	0.732	S	S	*	*				-176.2	148.5	95.7	-102.3	160.2	0	0	0	111.7
973	I	26.5	Very low	30.8	Very low	150 Å²	150	129.6 Å²	129.6	77%	0.769	73%	0.73	S	S	*	*			trans	-107.9	137.6	169.2	-62.3	163	0	0	0	107.5
974	T	27.5	Very low	30.8	Very low	104 Å²	104	126.8 Å²	126.8	64%	0.638	72%	0.724	S	S	*	*				167.8	138.4	129	36	0	0	0	0	114.3
975	K	27.7	Very low	30.8	Very low	188 Å²	188	129.3 Å²	129.3	82%	0.817	73%	0.73	S	S	*	*			trans	66.4	151.1	137.8	-69	170.7	-173.8	176.8	0	118.5
976	S	28.5	Very low	31.1	Very low	91 Å²	91	131 Å²	131	64%	0.636	73%	0.73	S	S	*	*			cis	-171.1	169.1	-8	43.6	0	0	0	0	111.8
977	N	30.4	Very low	31.2	Very low	130 Å²	130	131.1 Å²	131.1	70%	0.695	73%	0.727	S	S	*	*			trans	73.5	150.3	157.8	-68.4	18.3	0	0	0	118.1
978	E	31.4	Very low	31.4	Very low	141 Å²	141	132.6 Å²	132.6	66%	0.659	73%	0.731	S	S	*	*			cis	-162.5	158.4	-8.1	-115.4	171.8	127	0	0	112.7
979	L	28.4	Very low	31.3	Very low	129 Å²	129	133.9 Å²	133.9	68%	0.675	73%	0.729	S	S	*	*			trans	50.3	139.2	145.6	-63.7	165.3	0	0	0	120.5
980	R	32.5	Very low	31.3	Very low	207 Å²	207	134.1 Å²	134.1	78%	0.781	73%	0.729	S	S	*	*			cis	-172.3	147.1	38.9	-131.8	162.1	-163.6	-153.5	5.3	113.1
981	N	33.3	Very low	31.6	Very low	126 Å²	126	134.6 Å²	134.6	67%	0.674	73%	0.727	S	S	*	*			trans	45.5	120.8	144.2	-67.1	-6.5	0	0	0	122.2
982	K	33.1	Very low	31.7	Very low	191 Å²	191	135.7 Å²	135.7	83%	0.83	73%	0.73	S	S	*	*				89.9	159	63.7	-87.8	-172.6	175.1	-176.4	0	114.1
983	P	37.1	Very low	31.9	Very low	102 Å²	102	134.2 Å²	134.2	66%	0.662	73%	0.727	S	S	*	*			cis	-145	-168	-29.9	40.2	-20.5	0	0	0	115.5
984	S	32.6	Very low	32.1	Very low	102 Å²	102	132 Å²	132	71%	0.713	73%	0.725	S	S	*	*			trans	74.7	150.4	143.2	71.9	0	0	0	0	120.8
985	L	31.8	Very low	32.5	Very low	144 Å²	144	131.8 Å²	131.8	75%	0.754	73%	0.734	S	S	*	*			cis	-165.3	-174.5	-17.1	-124.8	153.1	0	0	0	111.7
986	N	34.5	Very low	32.8	Very low	145 Å²	145	128.3 Å²	128.3	78%	0.775	73%	0.733	S	S	*	*			trans	82.5	119	170.3	-53.6	-17.6	0	0	0	116.6
987	T	33.6	Very low	32.8	Very low	103 Å²	103	132.3 Å²	132.3	63%	0.632	74%	0.744	S	S	*	*			cis	95.2	101.9	7.1	-43.6	0	0	0	0	118.2	L989	T987-L989 HydrophobicContact CG2-CD1 3.87Å
988	V	36.3	Very low	33.1	Very low	136 Å²	136	130.1 Å²	130.1	82%	0.824	75%	0.752	S	S	*	*			trans	-153.3	111.6	142.9	-172.6	0	0	0	0	104.9
989	L	31	Very low	32.9	Very low	138 Å²	138	131.9 Å²	131.9	72%	0.723	76%	0.761	S	S	*	*				58.3	134.3	85	-85.2	80.3	0	0	0	113.7	T987	T987-L989 HydrophobicContact CG2-CD1 3.87Å
990	T	34.2	Very low	33.2	Very low	117 Å²	117	133.9 Å²	133.9	72%	0.718	77%	0.77	S	S	*	*			cis	-133.1	-163.4	-0.5	36.6	0	0	0	0	108.8
991	T	35.1	Very low	33.1	Very low	122 Å²	122	129.3 Å²	129.3	75%	0.748	77%	0.765	S	S	*	*			cis	-158.7	-178	15.7	-22.2	0	0	0	0	111.8
992	T	30.4	Very low	32.9	Very low	121 Å²	121	130.4 Å²	130.4	74%	0.742	77%	0.766	S	S	*	*			trans	-78.5	172.5	173.4	52.2	0	0	0	0	113
993	T	34	Very low	33	Very low	131 Å²	131	128.2 Å²	128.2	80%	0.804	76%	0.764	S	S	*	*			cis	-129.6	-136.4	26.2	49	0	0	0	0	114.7
994	S	30.8	Very low	32.7	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	77%	0.769	S	S	*	*			trans	-178.9	172.2	-131.8	53.2	0	0	0	0	114.3
995	A	35.6	Very low	32.8	Very low	100 Å²	100	132 Å²	132	83%	0.826	78%	0.775	S	S	*	*			trans	78.4	148.2	170.6	0	0	0	0	0	116.2
996	S	35	Very low	32.6	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	78%	0.778	S	S	*	*			cis	-143.3	160.7	0.7	52.5	0	0	0	0	112.5
997	M	27.8	Very low	32.7	Very low	176 Å²	176	135 Å²	135	87%	0.867	78%	0.782	S	S	*	*			trans	-81.4	160.4	175.5	-69.3	92.4	76.2	0	0	114.1
998	G	36.5	Very low	32.8	Very low	84 Å²	84	134.4 Å²	134.4	87%	0.866	78%	0.782	S	S	*	*			trans	-149.2	94.6	158.3	0	0	0	0	0	110.6
999	Q	28.2	Very low	32.4	Very low	178 Å²	178	135.4 Å²	135.4	83%	0.832	78%	0.783	S	S	*	*			trans	-103	133.2	170.9	-71.5	-179.2	-59.7	0	0	109.6
1000	I	33.6	Very low	32.6	Very low	171 Å²	171	137 Å²	137	88%	0.877	79%	0.79	S	S	*	*			trans	-138	141.4	150.6	-55.1	-176.2	0	0	0	106.8
1001	T	29.9	Very low	32.2	Very low	110 Å²	110	140 Å²	140	68%	0.675	80%	0.796	S	S	*	*			trans	-81.2	-170.5	176.1	47.8	0	0	0	0	109.9
1002	E	29.9	Very low	32.1	Very low	150 Å²	150	142.4 Å²	142.4	70%	0.701	80%	0.804	S	S	*	*			cis	-167.6	-176.3	21.8	-152	142.3	-90.5	0	0	111.7
1003	N	35.6	Very low	31.9	Very low	144 Å²	144	141.7 Å²	141.7	77%	0.77	80%	0.804	S	S	*	*			trans	97.8	110.9	161.7	-58.3	-46.9	0	0	0	119.2
1004	N	29.8	Very low	31.8	Very low	146 Å²	146	141.3 Å²	141.3	78%	0.781	81%	0.806	S	S	*	*			trans	-102.5	156.3	167.1	-60.8	-71.4	0	0	0	110.5
1005	T	35.1	Very low	31.6	Very low	137 Å²	137	142.2 Å²	142.2	84%	0.84	81%	0.807	S	S	*	*			trans	-173.6	118.1	140.8	12.8	0	0	0	0	107.6
1006	L	28.2	Very low	31.3	Very low	155 Å²	155	145.5 Å²	145.5	81%	0.812	81%	0.806	S	S	*	*				71.4	99.2	52.7	-73.2	172.6	0	0	0	115.8
1007	K	35.3	Very low	31.1	Very low	198 Å²	198	146.8 Å²	146.8	86%	0.861	80%	0.801	S	S	*	*			trans	-172.9	111	138.6	-104.1	160.6	-175.5	178.1	0	109.2
1008	S	35.8	Very low	31.3	Very low	91 Å²	91	144.5 Å²	144.5	64%	0.636	79%	0.792	S	S	*	*				81.7	104.8	92.7	68.1	0	0	0	0	112.3
1009	N	28.8	Very low	31	Very low	157 Å²	157	145 Å²	145	84%	0.84	78%	0.782	S	S	*	*				56	118.5	75.3	-69.6	20.1	0	0	0	113.3
1010	I	34.2	Very low	31.2	Very low	170 Å²	170	144.1 Å²	144.1	87%	0.872	78%	0.781	S	S	*	*			trans	-158	131	140.2	-100.5	151.7	0	0	0	106.6
1011	E	26.4	Very low	31.3	Very low	180 Å²	180	139.9 Å²	139.9	84%	0.841	77%	0.767	S	S	*	*			trans	-85.1	162.3	169.9	-60	153.6	115	0	0	109.1
1012	L	32.9	Very low	31.7	Very low	174 Å²	174	141.5 Å²	141.5	91%	0.911	77%	0.771	S	S	*	*			trans	-168.6	139	138.6	-107.2	159.6	0	0	0	111.8
1013	S	26.4	Very low	32.4	Very low	106 Å²	106	141 Å²	141	74%	0.741	77%	0.774	S	S	*	*			trans	-112.7	134.5	176.2	55.6	0	0	0	0	110.4
1014	S	31.6	Very low	32.2	Very low	123 Å²	123	140.7 Å²	140.7	86%	0.86	77%	0.772	S	S	*	*			trans	-155.3	148	160.6	54.4	0	0	0	0	111.9
1015	T	27.9	Very low	32.8	Very low	121 Å²	121	145.4 Å²	145.4	74%	0.742	80%	0.797	S	S	*	*			trans	-87.1	-172.2	176.5	40.1	0	0	0	0	111.9
1016	E	29.5	Very low	32.7	Very low	170 Å²	170	145.8 Å²	145.8	79%	0.794	80%	0.795	S	S	*	*			trans	78.8	149.9	162.5	-59.2	-175.6	-165.8	0	0	116.8
1017	M	29.1	Very low	32.9	Very low	141 Å²	141	145.3 Å²	145.3	70%	0.695	79%	0.794	S	S	*	*			cis	-164.4	172.9	-16.4	-106.3	-108.1	-80.1	0	0	109
1018	N	33.1	Very low	32.8	Very low	129 Å²	129	142.4 Å²	142.4	69%	0.69	79%	0.79	S	S	*	*			trans	70	127	165.6	-59.3	-33.2	0	0	0	116.6
1019	S	29	Very low	32.6	Very low	93 Å²	93	145.4 Å²	145.4	65%	0.65	80%	0.8	S	S	*	*			cis	98.6	163.9	32.7	78.5	0	0	0	0	113.3
1020	I	34	Very low	32.8	Very low	160 Å²	160	144.7 Å²	144.7	82%	0.821	80%	0.797	S	S	*	*			trans	74.7	129	-177.9	-58.8	170.1	0	0	0	113.1
1021	S	35.8	Very low	32.7	Very low	82 Å²	82	143 Å²	143	57%	0.573	79%	0.792	S	S	*	*			cis	-170.6	153.7	-11.4	52.5	0	0	0	0	110.7
1022	D	37.9	Very low	33.2	Very low	144 Å²	144	140.4 Å²	140.4	77%	0.77	79%	0.789	S	S	*	*			trans	53.8	157.6	141.6	-46.7	-17.8	0	0	0	120
1023	D	43.5	Very low	33.2	Very low	139 Å²	139	137.8 Å²	137.8	74%	0.743	78%	0.779	S	S	*	*			cis	-142.6	-176.3	5.3	-143.7	-29.3	0	0	0	112
1024	N	32.8	Very low	33.8	Very low	138 Å²	138	140.4 Å²	140.4	74%	0.738	78%	0.782	S	S	*	*			trans	-99.5	148.5	-165.7	-56.4	-98.4	0	0	0	114.4
1025	D	41.4	Very low	34	Very low	245 Å²	245	142 Å²	142	100%	1.31	78%	0.775	S	S	*	*				-163.9	0	129.9	-103	-17.7	0	0	0	109.5

Retrieved 1,025 of 1,025 residues in 395.1 ms (Link to these results)

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