A0A087X934_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087X934, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 876 aa.

						>A0A087X934_POEFO|A0A087X934
MASSSTQYIFGEFSPDEINQFFVTPRFYVELPPFNDKVQCVSQSSGSYCTPAVPFIMESMGLQVCEDYQHIEFGVDEVMDSKPVRASDPLYRVSSNLNPQAPEFILGCQAAPKAQQAAPPVADVPDGSHFNSLDGPDSEASALDNHQSCQDMDGLPGSLGQRERKKKKKRPPGYYNYLDPSAGESASSAVAADGAPVTALVNGHALGGSHHSSEDVNSKALSADELCTPAPASNATSTASVFAPTSTANQRTCDSPEDSSLDLTGGAASLSDGNNATSSSSSSSQSREMTEGSRTADQQLDHLAPQSPELSDAPHSPHSKSPLPPSAVAAAPSALTSTTTTELEGTRAADTGVANGLEEPSTLVSSDGHKEDCDSGEQGQPLSPDSVTQPLVTEQANSPAVAAAPTAHLPKSWASLFHNSKPLPGSPQAFVEVKNIVEAASPSPAMPEQPEKVGEIKEGPVHVSEDPMAPKLAEIIENVKLIHKPVSLQPRGLINKGNWCYINATLQALIACPPMYHLMKSIPLHSETQRTCTSTPMIDNFVRLVNEFNNMPVPSKTKQQTVGDKVVKDIRPGVPFEPTYIYKLLTLIKSSLSEKGRQEDAEEYLGFTLNGLHEEMLALKKLILPQEEKAPTPNGPESQQGGEEDGAEKEEEGSEDEWEQVGPRNKTSVTRQADFVRTPITDIFGGHIRSVVYQQNSKESATLQPFFTLQLDIQSEKIRTVQEALETLVARESVQGYTSKTKQEIEISRRVTLEELPPVLVLHLKRFVFEKTGGCQKLTKNIDYPVDLEISKDLLSSGVRSKVLKGQRTYRLFAVVYHHGNSATGGHYTTDVFHIGLNGWLRIDDQAVKVINQYQVLKQTAERTAYLLYYRRVDLL
					

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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	26.5	Very low	29	Very low	253 Å²	253	115.9 Å²	115.9	100%	1.246	68%	0.682	S	S	*	*				0	117	0	-75.6	-172.5	-86.6	0	0	107.3
2	A	20.8	Very low	29.4	Very low	101 Å²	101	119.9 Å²	119.9	84%	0.835	69%	0.689	S	S	*	*			trans	-134.6	141.4	171.7	0	0	0	0	0	107	S4	A2-S4 PolarHBondContact O-N 2.88Å
3	S	22.3	Very low	30.2	Very low	125 Å²	125	116.2 Å²	116.2	87%	0.874	66%	0.66	S	S	*	*			trans	-90.5	91	178.8	-174	0	0	0	0	108.9	S5	S3-S5 PolarHBondContact O-N 3.11Å
4	S	26.2	Very low	30.8	Very low	113 Å²	113	111.1 Å²	111.1	79%	0.79	64%	0.636	S	S	*	*			trans	-65.1	100.9	171.8	54.2	0	0	0	0	109.6	A2	A2-S4 PolarHBondContact O-N 2.88Å
5	S	25.8	Very low	31.3	Very low	104 Å²	104	110.1 Å²	110.1	73%	0.727	64%	0.635	S	S	*	*			trans	-64.4	134.9	163.7	-167.3	0	0	0	0	108.4	S3 Q7	S3-S5 PolarHBondContact O-N 3.11Å; S5-Q7 PolarHBondContact O-N 3.04Å
6	T	28.7	Very low	31.7	Very low	110 Å²	110	111.3 Å²	111.3	68%	0.675	64%	0.638	S	S	*	*			trans	-71	101.6	173.3	42.3	0	0	0	0	109.4
7	Q	28.4	Very low	32.4	Very low	132 Å²	132	107.8 Å²	107.8	62%	0.617	62%	0.615	S	S	*	*			trans	-60.4	136.5	161.1	-76.4	164.6	-34.9	0	0	108.8	S5 E12	S5-Q7 PolarHBondContact O-N 3.04Å; Q7-E12 PolarHBondContact NE2-OE1 3.01Å
8	Y	34.4	Very low	32.9	Very low	135 Å²	135	106.4 Å²	106.4	53%	0.529	60%	0.604	S	S	.	*			trans	-85.9	178	168.3	-68.7	-88.7	0	0	0	109.1	F10	Y8-F10 CarbonylContact O-C 3.48Å; Y8-F10 PolarHBondContact O-N 2.88Å; Y8-F10 VanDerWaalsContact O-O 3.13Å
9	I	34.7	Very low	33.4	Very low	47 Å²	47	105.4 Å²	105.4	24%	0.241	60%	0.597	C	S	.	*	S	Bend	trans	-57.7	-1.7	-176.8	-69.6	176.2	0	0	0	114.9	G11 N610 P705 F707	I9-G11 PolarHBondContact O-N 2.91Å; I9-N610 HydrophobicContact CD1-CB 4.44Å; I9-N610 VanDerWaalsContact CD1-OD1 3.31Å; I9-N610 WeakPolarHBondContact CD1-OD1 3.32Å; I9-P705 HydrophobicContact CG2-CG 4.19Å; I9-F707 HydrophobicContact CD1-CD2 4.46Å; I9-F707 HydrophobicContact CD1-CE2 3.66Å; I9-F707 HydrophobicContact CD1-CZ 4.37Å
10	F	36.5	Very low	33.9	Very low	107 Å²	107	103.9 Å²	103.9	47%	0.469	59%	0.585	S	S	.	*	S	Bend	trans	-80.6	112.2	167.3	-57.2	-68.2	0	0	0	109.6	Y8 F13 F22	Y8-F10 CarbonylContact O-C 3.48Å; Y8-F10 PolarHBondContact O-N 2.88Å; Y8-F10 VanDerWaalsContact O-O 3.13Å; F10-F13 HydrophobicContact CB-CD2 4.38Å; F10-F13 HydrophobicContact CB-CE2 4.03Å; F10-F13 HydrophobicContact CD1-CE2 4.35Å; F10-F22 HydrophobicContact CD1-CZ 4.28Å; F10-F22 HydrophobicContact CE1-CZ 4.49Å
11	G	35.2	Very low	34.1	Very low	48 Å²	48	100.9 Å²	100.9	50%	0.495	57%	0.565	S	S	.	*			trans	-59.8	176.4	173.5	0	0	0	0	0	113.3	I9 F13	I9-G11 PolarHBondContact O-N 2.91Å; G11-F13 VanDerWaalsContact C-N 3.31Å; G11-F13 VanDerWaalsContact O-CD2 3.24Å; G11-F13 WeakPolarHBondContact O-CD2 3.5Å; G11-F13 PolarHBondContact O-N 2.76Å
12	E	33.8	Very low	34.6	Very low	164 Å²	164	93 Å²	93	77%	0.766	52%	0.524	S	S	*	.			trans	-71.1	79.7	-172.6	-58.2	-159.6	145.6	0	0	112.9	Q7	Q7-E12 PolarHBondContact NE2-OE1 3.01Å
13	F	39.3	Very low	35.2	Very low	71 Å²	71	90.7 Å²	90.7	31%	0.311	50%	0.5	S	S	.	.			trans	-68.6	131.9	168.3	-65.8	-72.4	0	0	0	110.5	F10 G11 E17 I18 F22	F10-F13 HydrophobicContact CB-CD2 4.38Å; F10-F13 HydrophobicContact CB-CE2 4.03Å; F10-F13 HydrophobicContact CD1-CE2 4.35Å; G11-F13 VanDerWaalsContact C-N 3.31Å; G11-F13 VanDerWaalsContact O-CD2 3.24Å; G11-F13 WeakPolarHBondContact O-CD2 3.5Å; G11-F13 PolarHBondContact O-N 2.76Å; F13-E17 HydrophobicContact CB-CB 4.31Å; F13-E17 HydrophobicContact CD1-CB 4.27Å; F13-I18 HydrophobicContact CB-CD1 4.3Å; F13-I18 HydrophobicContact CB-CG1 3.66Å; F13-F22 HydrophobicContact CD2-CE2 4.1Å; F13-F22 AromaticContact CE2-CE2 4Å; F13-F22 HydrophobicContact CE2-CE2 4Å; F13-F22 HydrophobicContact CE2-CZ 4.11Å; F13-F22 HydrophobicContact CZ-CE2 4.32Å; F13-F22 HydrophobicContact CZ-CZ 4.49Å
14	S	38.1	Very low	35.6	Very low	46 Å²	46	89 Å²	89	32%	0.322	48%	0.484	S	S	.	.			trans	-63.3	157.4	169.7	62.9	0	0	0	0	111.6	D16 E17 I18	S14-D16 PolarHBondContact O-N 2.76Å; S14-E17 WeakPolarHBondContact CB-OE2 3.23Å; S14-E17 PolarHBondContact N-OE2 3.33Å; S14-E17 VanDerWaalsContact N-OE2 3.09Å; S14-E17 PolarHBondContact O-N 3.14Å; S14-E17 WeakPolarHBondContact OG-CB 3.03Å; S14-E17 WeakPolarHBondContact OG-CG 3.25Å; S14-E17 PolarHBondContact OG-N 2.84Å; S14-E17 PolarHBondContact OG-OE2 2.85Å; S14-I18 WeakPolarHBondContact O-CG1 3.29Å; S14-I18 PolarHBondContact O-N 3.36Å
15	P	39.3	Very low	35.7	Very low	96 Å²	96	87.8 Å²	87.8	62%	0.623	47%	0.474	S	S	*	.	H	α-helix	trans	-55.9	-34	178.2	-27.4	36.1	0	0	0	113.9	N19	P15-N19 PolarHBondContact O-N 3.05Å; P15-N19 VanDerWaalsContact O-N 3.1Å; P15-N19 PolarHBondContact O-ND2 3.19Å
16	D	38.1	Very low	35.8	Very low	128 Å²	128	92.2 Å²	92.2	68%	0.684	47%	0.474	S	S	*	.	H	α-helix	trans	-71.8	-38.9	176.5	-69.8	-41.8	0	0	0	112.1	S14 N19 Q20	S14-D16 PolarHBondContact O-N 2.76Å; D16-N19 CarbonylContact O-C 3.52Å; D16-N19 PolarHBondContact O-N 3.19Å; D16-Q20 VanDerWaalsContact O-CB 3.27Å; D16-Q20 WeakPolarHBondContact O-CB 3.46Å; D16-Q20 PolarHBondContact O-N 3.35Å
17	E	42.4	Very low	35.7	Very low	52 Å²	52	94.5 Å²	94.5	24%	0.243	48%	0.475	C	S	.	.	H	α-helix	trans	-67.1	-36.2	173.1	-72.2	173.2	122	0	0	112.4	F13 S14 Q20 F21 R671	F13-E17 HydrophobicContact CB-CB 4.31Å; F13-E17 HydrophobicContact CD1-CB 4.27Å; S14-E17 WeakPolarHBondContact CB-OE2 3.23Å; S14-E17 PolarHBondContact N-OE2 3.33Å; S14-E17 VanDerWaalsContact N-OE2 3.09Å; S14-E17 PolarHBondContact O-N 3.14Å; S14-E17 WeakPolarHBondContact OG-CB 3.03Å; S14-E17 WeakPolarHBondContact OG-CG 3.25Å; S14-E17 PolarHBondContact OG-N 2.84Å; S14-E17 PolarHBondContact OG-OE2 2.85Å; E17-Q20 PolarHBondContact O-N 3.14Å; E17-Q20 VanDerWaalsContact O-N 3.15Å; E17-F21 HydrophobicContact CB-CD2 3.91Å; E17-F21 HydrophobicContact CB-CE2 3.97Å; E17-F21 HydrophobicContact CG-CD2 4.41Å; E17-F21 HydrophobicContact CG-CE2 3.95Å; E17-F21 WeakPolarHBondContact O-CB 3.46Å; E17-F21 WeakPolarHBondContact O-CD2 3.22Å; E17-F21 PolarHBondContact O-N 3.21Å; E17-R671 IonicContact OE1-NH1 3.33Å; E17-R671 PolarHBondContact OE1-NH1 2.86Å
18	I	41.5	Very low	35.7	Very low	83 Å²	83	98.8 Å²	98.8	43%	0.426	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	-47.4	172	-66.3	174.3	0	0	0	110	F13 S14 Q20 F22	F13-I18 HydrophobicContact CB-CD1 4.3Å; F13-I18 HydrophobicContact CB-CG1 3.66Å; S14-I18 WeakPolarHBondContact O-CG1 3.29Å; S14-I18 PolarHBondContact O-N 3.36Å; I18-Q20 VanDerWaalsContact C-N 3.25Å; I18-Q20 PolarHBondContact O-N 2.61Å; I18-F22 WeakPolarHBondContact O-CA 3.21Å; I18-F22 WeakPolarHBondContact O-CB 3.47Å; I18-F22 PolarHBondContact O-N 2.77Å
19	N	42.4	Very low	35.4	Very low	88 Å²	88	98.1 Å²	98.1	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-66	-25.2	175.9	-78.6	-88.5	0	0	0	113	P15 D16 V23 R26	P15-N19 PolarHBondContact O-N 3.05Å; P15-N19 VanDerWaalsContact O-N 3.1Å; P15-N19 PolarHBondContact O-ND2 3.19Å; D16-N19 CarbonylContact O-C 3.52Å; D16-N19 PolarHBondContact O-N 3.19Å; N19-V23 VanDerWaalsContact O-CG2 3.22Å; N19-V23 WeakPolarHBondContact O-CG2 3.49Å; N19-R26 PolarHBondContact OD1-NH2 2.83Å
20	Q	43.3	Very low	35.1	Very low	74 Å²	74	105.1 Å²	105.1	35%	0.346	53%	0.529	S	S	.	.	H	α-helix	trans	-89.2	-31.1	-178.5	-165.2	160.7	105.9	0	0	113.8	D16 E17 I18 Y737	D16-Q20 VanDerWaalsContact O-CB 3.27Å; D16-Q20 WeakPolarHBondContact O-CB 3.46Å; D16-Q20 PolarHBondContact O-N 3.35Å; E17-Q20 PolarHBondContact O-N 3.14Å; E17-Q20 VanDerWaalsContact O-N 3.15Å; I18-Q20 VanDerWaalsContact C-N 3.25Å; I18-Q20 PolarHBondContact O-N 2.61Å; Q20-Y737 HydrophobicContact CG-CE2 4.05Å; Q20-Y737 VanDerWaalsContact CG-OH 3.29Å; Q20-Y737 WeakPolarHBondContact CG-OH 3.21Å
21	F	38.9	Very low	34.8	Very low	42 Å²	42	107 Å²	107	18%	0.184	54%	0.543	C	S	.	.	H	α-helix	trans	-105.6	-21.4	-177	-61.7	-58.7	0	0	0	114.5	E17 T702	E17-F21 HydrophobicContact CB-CD2 3.91Å; E17-F21 HydrophobicContact CB-CE2 3.97Å; E17-F21 HydrophobicContact CG-CD2 4.41Å; E17-F21 HydrophobicContact CG-CE2 3.95Å; E17-F21 WeakPolarHBondContact O-CB 3.46Å; E17-F21 WeakPolarHBondContact O-CD2 3.22Å; E17-F21 PolarHBondContact O-N 3.21Å; F21-T702 HydrophobicContact CD1-CG2 4.37Å; F21-T702 HydrophobicContact CE1-CG2 4.2Å
22	F	36.9	Very low	34.5	Very low	87 Å²	87	109.8 Å²	109.8	38%	0.382	55%	0.552	S	S	.	*	S	Bend	trans	-121	39.7	-177.3	-58.5	-92.1	0	0	0	112.6	F10 F13 I18 T24	F10-F22 HydrophobicContact CD1-CZ 4.28Å; F10-F22 HydrophobicContact CE1-CZ 4.49Å; F13-F22 HydrophobicContact CD2-CE2 4.1Å; F13-F22 AromaticContact CE2-CE2 4Å; F13-F22 HydrophobicContact CE2-CE2 4Å; F13-F22 HydrophobicContact CE2-CZ 4.11Å; F13-F22 HydrophobicContact CZ-CE2 4.32Å; F13-F22 HydrophobicContact CZ-CZ 4.49Å; I18-F22 WeakPolarHBondContact O-CA 3.21Å; I18-F22 WeakPolarHBondContact O-CB 3.47Å; I18-F22 PolarHBondContact O-N 2.77Å; F22-T24 PolarHBondContact O-N 3.49Å; F22-T24 PolarHBondContact O-OG1 3.48Å
23	V	34.1	Very low	34.3	Very low	52 Å²	52	107.5 Å²	107.5	32%	0.315	55%	0.552	S	S	.	*			trans	-51.5	105.2	178	-179.2	0	0	0	0	111	N19 Y737	N19-V23 VanDerWaalsContact O-CG2 3.22Å; N19-V23 WeakPolarHBondContact O-CG2 3.49Å; V23-Y737 HydrophobicContact CG2-CD2 4.16Å
24	T	30.5	Very low	34.1	Very low	90 Å²	90	113 Å²	113	55%	0.552	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-94.8	126.5	164	-52.7	0	0	0	0	107	F22 R26	F22-T24 PolarHBondContact O-N 3.49Å; F22-T24 PolarHBondContact O-OG1 3.48Å; T24-R26 PolarHBondContact O-N 2.91Å
25	P	27.9	Very low	33.8	Very low	87 Å²	87	118.3 Å²	118.3	57%	0.565	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-59.1	123.7	-172.9	-26.8	35.1	0	0	0	112.8	F27	P25-F27 HydrophobicContact CB-CD2 4.47Å; P25-F27 HydrophobicContact CB-CE2 3.98Å
26	R	26.9	Very low	33.5	Very low	198 Å²	198	119.9 Å²	119.9	75%	0.747	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-74.5	129.7	174.2	-63.6	-174.1	-177.2	-165.4	1.9	109.3	N19 T24	N19-R26 PolarHBondContact OD1-NH2 2.83Å; T24-R26 PolarHBondContact O-N 2.91Å
27	F	27.2	Very low	33.2	Very low	158 Å²	158	122.8 Å²	122.8	69%	0.693	61%	0.61	S	S	*	*			trans	-121.2	135.6	171.2	-75.8	-86.7	0	0	0	108.9	P25	P25-F27 HydrophobicContact CB-CD2 4.47Å; P25-F27 HydrophobicContact CB-CE2 3.98Å
28	Y	28.5	Very low	32.6	Very low	222 Å²	222	127.1 Å²	127.1	87%	0.871	64%	0.64	S	S	*	*			trans	-89.1	149.7	177.3	-62.2	-89.5	0	0	0	111.2
29	V	28.8	Very low	31.9	Very low	121 Å²	121	131.7 Å²	131.7	73%	0.733	66%	0.66	S	S	*	*			trans	-140.4	124.5	174.2	178.9	0	0	0	0	108.3	L31	V29-L31 HydrophobicContact CG1-CD2 4.18Å
30	E	26.6	Very low	31.1	Very low	193 Å²	193	133.8 Å²	133.8	90%	0.902	68%	0.679	S	S	*	*			trans	-83.1	143.8	169.2	-64.9	-179	140.3	0	0	110.1
31	L	31.4	Very low	30.3	Very low	148 Å²	148	136.7 Å²	136.7	78%	0.775	70%	0.702	S	S	*	*			trans	-124	134.8	-179.3	-65.6	175.6	0	0	0	110.8	V29	V29-L31 HydrophobicContact CG1-CD2 4.18Å
32	P	28.8	Very low	29.9	Very low	105 Å²	105	139.9 Å²	139.9	68%	0.682	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-74.1	155.4	172.4	32.1	-34.8	0	0	0	111.5	F34	P32-F34 PolarHBondContact O-N 3.24Å
33	P	30.2	Very low	29.6	Very low	117 Å²	117	145 Å²	145	76%	0.76	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.6	-175.4	27.2	-34.8	0	0	0	112.6
34	F	33.7	Very low	29.3	Very low	187 Å²	187	147.2 Å²	147.2	82%	0.82	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-91.8	122.5	172.9	-164.1	-92.9	0	0	0	110.1	P32 D36	P32-F34 PolarHBondContact O-N 3.24Å; F34-D36 HydrophobicContact CD1-CB 4.31Å; F34-D36 HydrophobicContact CE1-CB 4.38Å
35	N	32.8	Very low	29.3	Very low	157 Å²	157	148.5 Å²	148.5	84%	0.84	79%	0.785	S	S	*	*			trans	-106.2	101.7	-174.4	-166.3	-1	0	0	0	110.3
36	D	32.8	Very low	29.2	Very low	128 Å²	128	148.3 Å²	148.3	68%	0.684	80%	0.799	S	S	*	*			trans	-92.6	114.3	-163.6	-163.9	13.1	0	0	0	113.4	F34	F34-D36 HydrophobicContact CD1-CB 4.31Å; F34-D36 HydrophobicContact CE1-CB 4.38Å
37	K	32.2	Very low	29.3	Very low	189 Å²	189	144.6 Å²	144.6	82%	0.822	80%	0.803	S	S	*	*			trans	-176.2	120.2	167.1	-104.3	146.2	-170.1	164.9	0	112.6
38	V	28.5	Very low	29.3	Very low	144 Å²	144	147.5 Å²	147.5	87%	0.873	81%	0.811	S	S	*	*				-176.3	147.2	119.1	145.2	0	0	0	0	109.6
39	Q	27.1	Very low	29.2	Very low	179 Å²	179	143.2 Å²	143.2	84%	0.836	81%	0.812	S	S	*	*			trans	-75.7	144.3	-176	-68.4	168.5	-79.5	0	0	113.6
40	C	25.2	Very low	29.1	Very low	131 Å²	131	143.7 Å²	143.7	89%	0.885	82%	0.816	S	S	*	*			trans	-78.7	133.5	160.2	-71.7	0	0	0	0	111.1
41	V	27	Very low	29.9	Very low	136 Å²	136	140.2 Å²	140.2	82%	0.824	81%	0.81	S	S	*	*			trans	-115.2	131.7	165.8	175.2	0	0	0	0	108.4
42	S	31.8	Very low	29.7	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	81%	0.814	S	S	*	*			trans	-83.5	133.1	-174.2	-44.4	0	0	0	0	112.8
43	Q	28.8	Very low	29.7	Very low	195 Å²	195	139.8 Å²	139.8	91%	0.911	82%	0.822	S	S	*	*			trans	-157.9	177.3	149.3	-123.7	155.6	98.2	0	0	113
44	S	27.6	Very low	30.1	Very low	98 Å²	98	139.3 Å²	139.3	69%	0.685	82%	0.819	S	S	*	*			trans	-129.4	-178.1	-147.6	56.9	0	0	0	0	114.4
45	S	31.6	Very low	29.8	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	82%	0.817	S	S	*	*			trans	65.1	119.4	166.9	43.5	0	0	0	0	117
46	G	26.6	Very low	29.6	Very low	84 Å²	84	137.5 Å²	137.5	87%	0.866	81%	0.808	S	S	*	*			trans	-94.3	178.8	-178.8	0	0	0	0	0	114.8
47	S	27.8	Very low	29.3	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	82%	0.816	S	S	*	*			trans	-144.8	154.8	159.9	-178.2	0	0	0	0	109
48	Y	27.1	Very low	29.2	Very low	219 Å²	219	139.3 Å²	139.3	86%	0.859	82%	0.817	S	S	*	*			trans	-70.5	140.8	163.2	-69	-100.3	0	0	0	109.8
49	C	27.4	Very low	29.3	Very low	133 Å²	133	137.1 Å²	137.1	90%	0.899	81%	0.808	S	S	*	*			trans	-175.2	124.8	138.6	-107.5	0	0	0	0	112.1
50	T	26.4	Very low	29.3	Very low	130 Å²	130	137.7 Å²	137.7	80%	0.798	81%	0.813	S	S	*	*			trans	-102.3	171	163.7	47.7	0	0	0	0	109.6
51	P	43.4	Very low	29.3	Very low	121 Å²	121	134.9 Å²	134.9	79%	0.786	81%	0.807	S	S	*	*			cis	-132.6	161.8	-35.4	35.6	-20.8	0	0	0	112.6
52	A	26.9	Very low	29.3	Very low	104 Å²	104	136.9 Å²	136.9	86%	0.86	81%	0.812	S	S	*	*			trans	-158.1	142.9	160.9	0	0	0	0	0	113.5
53	V	28.6	Very low	29.1	Very low	139 Å²	139	139.8 Å²	139.8	84%	0.842	81%	0.813	S	S	*	*			trans	-121.7	138.2	166.8	-176.8	0	0	0	0	103.2
54	P	39.2	Very low	28.9	Very low	107 Å²	107	136.9 Å²	136.9	70%	0.695	81%	0.809	S	S	*	*				-158.7	-178.3	61.8	42.8	-20.3	0	0	0	119.6
55	F	26.2	Very low	28.9	Very low	178 Å²	178	137 Å²	137	78%	0.781	81%	0.808	S	S	*	*			trans	72.3	126.5	142	-100.6	-136.3	0	0	0	122.7
56	I	29.7	Very low	28.6	Very low	128 Å²	128	140.1 Å²	140.1	66%	0.656	81%	0.81	S	S	*	*				43.7	122	123.3	-57.1	-170.5	0	0	0	116.6
57	M	27.3	Very low	28.6	Very low	174 Å²	174	143.7 Å²	143.7	86%	0.857	81%	0.809	S	S	*	*				-159.9	164.4	65	-152.5	159.4	72.3	0	0	115.5
58	E	30	Very low	28.6	Very low	181 Å²	181	147.3 Å²	147.3	85%	0.846	81%	0.806	S	S	*	*			trans	-86.5	141.4	174	169.3	-174.5	-136.4	0	0	112.4
59	S	29	Very low	28.7	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	81%	0.806	S	S	*	*			trans	-170.8	125.5	157.9	57.4	0	0	0	0	113.8
60	M	27	Very low	28.7	Very low	191 Å²	191	147.8 Å²	147.8	94%	0.941	80%	0.803	S	S	*	*			trans	57	126.7	148.9	-50.8	173.9	92.2	0	0	118.5
61	G	26.5	Very low	28.8	Very low	72 Å²	72	147.5 Å²	147.5	74%	0.742	80%	0.795	S	S	*	*			cis	114.9	108.8	6.1	0	0	0	0	0	111.9
62	L	26.3	Very low	28	Very low	178 Å²	178	150.7 Å²	150.7	93%	0.932	80%	0.799	S	S	*	*			trans	-156	142.1	169.7	-124.6	152	0	0	0	109.9
63	Q	27.1	Very low	28	Very low	169 Å²	169	154.9 Å²	154.9	79%	0.79	80%	0.799	S	S	*	*			trans	-118.5	128.9	-168.2	177.1	-177	1.9	0	0	110.2
64	V	26.1	Very low	27.9	Very low	135 Å²	135	151.1 Å²	151.1	82%	0.818	79%	0.787	S	S	*	*			trans	-141.4	129.3	170.3	-177.8	0	0	0	0	107.6
65	C	26.8	Very low	27.3	Very low	99 Å²	99	153 Å²	153	67%	0.669	80%	0.797	S	S	*	*			trans	-86.3	152.1	167.7	-60.6	0	0	0	0	109.4
66	E	25.6	Very low	27.7	Very low	184 Å²	184	152 Å²	152	86%	0.86	80%	0.8	S	S	*	*				-171.9	164.6	126.7	-103.5	159.6	-148.1	0	0	112
67	D	26.5	Very low	27.7	Very low	159 Å²	159	154 Å²	154	85%	0.85	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.1	155.2	-154	-56	-40.6	0	0	0	118.4
68	Y	28.4	Very low	28.2	Very low	195 Å²	195	152.8 Å²	152.8	77%	0.765	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-86.4	123.5	172.7	-65.2	-92.7	0	0	0	112
69	Q	27.9	Very low	28.1	Very low	181 Å²	181	151.6 Å²	151.6	85%	0.846	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-81.9	135.9	163.9	-80.3	-171.7	-34.8	0	0	111.4
70	H	27.5	Very low	28.1	Very low	181 Å²	181	154.1 Å²	154.1	84%	0.838	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83	138.4	167.3	-71	35.6	0	0	0	109.9
71	I	28.3	Very low	28.5	Very low	123 Å²	123	150.1 Å²	150.1	63%	0.631	80%	0.801	S	S	*	*			trans	-134	117.6	168.3	-60.6	179.7	0	0	0	107.7	F73	I71-F73 HydrophobicContact CG2-CD2 4.48Å; I71-F73 HydrophobicContact CG2-CE2 4.2Å; I71-F73 HydrophobicContact CG2-CZ 4.44Å
72	E	27.4	Very low	28.5	Very low	188 Å²	188	156.1 Å²	156.1	88%	0.879	81%	0.807	S	S	*	*			trans	-83.4	127	168.4	-66	-175	124.5	0	0	109.5	G74	E72-G74 VanDerWaalsContact C-N 3.35Å; E72-G74 PolarHBondContact O-N 3.21Å
73	F	26.5	Very low	28.8	Very low	193 Å²	193	153.9 Å²	153.9	85%	0.846	80%	0.803	S	S	*	*			trans	-88.6	75.7	168.6	-79.1	-80.9	0	0	0	110.4	I71	I71-F73 HydrophobicContact CG2-CD2 4.48Å; I71-F73 HydrophobicContact CG2-CE2 4.2Å; I71-F73 HydrophobicContact CG2-CZ 4.44Å
74	G	26.5	Very low	28.8	Very low	59 Å²	59	153 Å²	153	61%	0.608	81%	0.808	S	S	*	*			trans	-76.7	139.8	158.6	0	0	0	0	0	110.2	E72 D76	E72-G74 VanDerWaalsContact C-N 3.35Å; E72-G74 PolarHBondContact O-N 3.21Å; G74-D76 PolarHBondContact O-N 3.38Å
75	V	27.3	Very low	28.9	Very low	148 Å²	148	158.1 Å²	158.1	90%	0.897	81%	0.813	S	S	*	*			trans	-94.7	78.9	169.1	-176.4	0	0	0	0	108.1
76	D	34.6	Very low	29	Very low	157 Å²	157	158.4 Å²	158.4	84%	0.84	82%	0.823	S	S	*	*			trans	-116.7	89.6	167.1	-93.4	-49.3	0	0	0	108.4	G74	G74-D76 PolarHBondContact O-N 3.38Å
77	E	28.7	Very low	29.3	Very low	169 Å²	169	155.2 Å²	155.2	79%	0.79	82%	0.821	S	S	*	*			trans	-160.3	116.6	154.4	-121.8	170.6	-149.8	0	0	111.7
78	V	38	Very low	29.4	Very low	148 Å²	148	154.7 Å²	154.7	90%	0.897	82%	0.818	S	S	*	*			trans	-77.4	124.4	167.7	174.7	0	0	0	0	107.8
79	M	28	Very low	29.8	Very low	156 Å²	156	151.2 Å²	151.2	77%	0.768	82%	0.819	S	S	*	*			trans	-117.1	128.6	-178.4	-81.1	-62.3	-69.6	0	0	114.2
80	D	28.3	Very low	30	Very low	152 Å²	152	149.6 Å²	149.6	81%	0.813	82%	0.816	S	S	*	*			trans	-83	158.9	-168.6	-155.1	-12	0	0	0	113.2	K82	D80-K82 PolarHBondContact O-N 2.64Å
81	S	36	Very low	29.9	Very low	106 Å²	106	151.9 Å²	151.9	74%	0.741	82%	0.819	S	S	*	*			trans	-97.4	93.9	-161.7	60.3	0	0	0	0	115
82	K	25.8	Very low	29.8	Very low	198 Å²	198	158.1 Å²	158.1	86%	0.861	83%	0.834	S	S	*	*			trans	-139.4	130.8	164.2	-71.6	-174.9	-179	159.1	0	113.6	D80	D80-K82 PolarHBondContact O-N 2.64Å
83	P	33.8	Very low	29.7	Very low	131 Å²	131	155.4 Å²	155.4	85%	0.851	83%	0.83	S	S	*	*			trans	-88	142.8	-178.9	34.2	-34.3	0	0	0	113.1
84	V	26.7	Very low	29.5	Very low	150 Å²	150	151.1 Å²	151.1	91%	0.909	82%	0.824	S	S	*	*			trans	-120.8	147.3	165.9	178.9	0	0	0	0	109.3
85	R	28.1	Very low	29.4	Very low	243 Å²	243	154.3 Å²	154.3	92%	0.917	84%	0.837	S	S	*	*			trans	-133	106.1	-160.7	-178.7	-160.4	-158.8	178	8.7	111.3
86	A	29.8	Very low	29.4	Very low	106 Å²	106	153.2 Å²	153.2	88%	0.876	83%	0.826	S	S	*	*			trans	-153.7	161.7	165.7	0	0	0	0	0	110.4
87	S	31.2	Very low	29	Very low	117 Å²	117	153.2 Å²	153.2	82%	0.818	83%	0.826	S	S	*	*			trans	-143.7	137.8	-171.7	55.9	0	0	0	0	111.4
88	D	28.2	Very low	29	Very low	148 Å²	148	152.9 Å²	152.9	79%	0.791	83%	0.829	S	S	*	*			trans	-150.9	130.6	162.4	-148.2	-2.8	0	0	0	110.2	L90	D88-L90 PolarHBondContact O-N 2.74Å
89	P	36.3	Very low	28.7	Very low	122 Å²	122	151 Å²	151	79%	0.792	82%	0.82	S	S	*	*			trans	-105.6	55.3	-163	40.5	-34.3	0	0	0	113.8
90	L	32.8	Very low	28.6	Very low	147 Å²	147	151.8 Å²	151.8	77%	0.77	82%	0.822	S	S	*	*			trans	-128.7	18.8	-172	-104.5	174.8	0	0	0	118	D88	D88-L90 PolarHBondContact O-N 2.74Å
91	Y	26.1	Very low	28.6	Very low	229 Å²	229	147.2 Å²	147.2	90%	0.898	81%	0.805	S	S	*	*			trans	-129.8	115.1	162.7	-76.6	-83.3	0	0	0	111.6
92	R	26	Very low	28.2	Very low	253 Å²	253	146 Å²	146	96%	0.955	79%	0.794	S	S	*	*			trans	-108.6	105.7	163.6	-95.2	-171.9	171.3	-174.8	-2.4	108.5
93	V	24.6	Very low	28.3	Very low	132 Å²	132	142 Å²	142	80%	0.8	78%	0.779	S	S	*	*			trans	-91.7	129.2	165.3	179.3	0	0	0	0	107.7	S95	V93-S95 PolarHBondContact O-N 2.68Å
94	S	22.8	Very low	28	Very low	103 Å²	103	144 Å²	144	72%	0.72	77%	0.774	S	S	*	*			trans	-70.6	123.6	172.5	-58.4	0	0	0	0	109.6
95	S	24.3	Very low	28.1	Very low	125 Å²	125	141.9 Å²	141.9	87%	0.874	76%	0.757	S	S	*	*			trans	-91.8	106.3	176.4	-174.5	0	0	0	0	109.3	V93	V93-S95 PolarHBondContact O-N 2.68Å
96	N	27.9	Very low	28.2	Very low	125 Å²	125	137.3 Å²	137.3	67%	0.668	75%	0.75	S	S	*	*			trans	-103.2	140.6	175.7	-69.6	6.7	0	0	0	109.9
97	L	26.3	Very low	27.9	Very low	158 Å²	158	135.4 Å²	135.4	83%	0.827	74%	0.741	S	S	*	*			trans	61.3	112.6	157.2	-59.6	166.4	0	0	0	117.8
98	N	29	Very low	27.5	Very low	162 Å²	162	135.9 Å²	135.9	87%	0.866	74%	0.743	S	S	*	*			trans	-75.6	144.6	164.5	-161.9	52.9	0	0	0	110
99	P	30.4	Very low	27.3	Very low	107 Å²	107	138 Å²	138	70%	0.695	75%	0.748	S	S	*	*			trans	-100.6	123.2	-154.7	35.2	-32.4	0	0	0	114.8
100	Q	27.3	Very low	26.7	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	74%	0.743	S	S	*	*	S	Bend	trans	-153	30.9	156.2	-129.1	173.1	38.7	0	0	117.5
101	A	26.7	Very low	26.4	Very low	55 Å²	55	133.8 Å²	133.8	46%	0.455	74%	0.744	S	S	.	*	S	Bend	trans	-162.5	152.5	150.6	0	0	0	0	0	112.1	F769	A101-F769 HydrophobicContact CB-CB 3.35Å; A101-F769 HydrophobicContact CB-CD1 3.71Å; A101-F769 HydrophobicContact CB-CD2 3.62Å; A101-F769 HydrophobicContact CB-CE2 4.45Å; A101-F769 HydrophobicContact CB-CG 3.2Å
102	P	28.7	Very low	26.6	Very low	81 Å²	81	128.8 Å²	128.8	53%	0.526	74%	0.74	S	S	.	*			trans	-107.6	118.4	-173	36.4	-28	0	0	0	114.8	F769	P102-F769 WeakPolarHBondContact O-CE1 3.48Å
103	E	26.4	Very low	26.9	Very low	113 Å²	113	126.5 Å²	126.5	53%	0.528	74%	0.737	S	S	.	*			trans	-61.8	151.8	163.3	-41.1	-121.2	104.2	0	0	109.3	F769	E103-F769 HydrophobicContact CB-CZ 3.99Å; E103-F769 HydrophobicContact CG-CE2 4.02Å; E103-F769 HydrophobicContact CG-CZ 3.59Å; E103-F769 VanDerWaalsContact OE1-CE2 3.27Å; E103-F769 WeakPolarHBondContact OE1-CE2 3.35Å; E103-F769 VanDerWaalsContact OE1-CZ 3.26Å; E103-F769 WeakPolarHBondContact OE1-CZ 3.4Å
104	F	29.4	Very low	27	Very low	173 Å²	173	125.1 Å²	125.1	76%	0.759	74%	0.74	S	S	*	*				-166.4	162.4	63.7	-83.3	-85.1	0	0	0	112
105	I	27.1	Very low	27.6	Very low	106 Å²	106	129.2 Å²	129.2	54%	0.544	75%	0.747	S	S	.	*			trans	-106.4	132	171.6	-132	175.5	0	0	0	115.5	T772	I105-T772 WeakPolarHBondContact CB-O 3.22Å; I105-T772 VanDerWaalsContact CG1-O 3.3Å; I105-T772 WeakPolarHBondContact CG1-O 3.33Å
106	L	30.3	Very low	27.8	Very low	148 Å²	148	132.3 Å²	132.3	78%	0.775	75%	0.748	S	S	*	*			trans	17.6	132.5	145.3	-62	170.6	0	0	0	122.3
107	G	24.1	Very low	27.9	Very low	66 Å²	66	131 Å²	131	68%	0.68	75%	0.754	S	S	*	*				-147.1	146.6	114.4	0	0	0	0	0	109.2
108	C	23	Very low	28.1	Very low	127 Å²	127	127.7 Å²	127.7	86%	0.858	75%	0.75	S	S	*	*			cis	-151.2	174.1	-1.7	-78.3	0	0	0	0	109.8
109	Q	23.6	Very low	28.9	Very low	192 Å²	192	125.5 Å²	125.5	90%	0.897	74%	0.744	S	S	*	*			trans	-89.4	171.7	162.6	-52.5	-176.5	-18	0	0	109.9
110	A	23.5	Very low	30	Very low	83 Å²	83	125.5 Å²	125.5	69%	0.686	74%	0.744	S	S	*	*			cis	-158.2	155.9	11.7	0	0	0	0	0	113.2
111	A	26.6	Very low	30.3	Very low	98 Å²	98	123.8 Å²	123.8	81%	0.81	75%	0.745	S	S	*	*			trans	65.1	166.4	151.6	0	0	0	0	0	118.4
112	P	30.2	Very low	30.7	Very low	123 Å²	123	124.8 Å²	124.8	80%	0.799	75%	0.754	S	S	*	*			cis	-123.7	177.4	1.2	42.2	-28.7	0	0	0	115.7
113	K	33.1	Very low	30.8	Very low	205 Å²	205	127.9 Å²	127.9	89%	0.891	77%	0.766	S	S	*	*			trans	-80.5	150.4	162.2	-66.7	176.6	176.8	177.8	0	110.6
114	A	25.6	Very low	31.1	Very low	104 Å²	104	128.4 Å²	128.4	86%	0.86	78%	0.777	S	S	*	*			trans	-146.5	136.1	152.6	0	0	0	0	0	111.1
115	Q	37.2	Very low	32.4	Very low	189 Å²	189	125.5 Å²	125.5	88%	0.883	78%	0.775	S	S	*	*			trans	-107.2	156.4	164.7	-65.7	167.3	-85.3	0	0	108.5
116	Q	28.3	Very low	32.7	Very low	190 Å²	190	128.3 Å²	128.3	89%	0.888	79%	0.791	S	S	*	*			trans	-129.5	126	156.7	-68.9	-171.9	2	0	0	106.4
117	A	28.2	Very low	32.6	Very low	97 Å²	97	124 Å²	124	80%	0.802	78%	0.782	S	S	*	*				80.2	149.4	61	0	0	0	0	0	111.8
118	A	31.4	Very low	33	Very low	88 Å²	88	125.9 Å²	125.9	73%	0.727	79%	0.785	S	S	*	*			cis	-136.8	-122.9	15.6	0	0	0	0	0	115.3
119	P	46.5	Very low	33.5	Very low	116 Å²	116	127.8 Å²	127.8	75%	0.753	78%	0.781	S	S	*	*				-127.6	-152.9	-116.4	42.8	-22.1	0	0	0	112.2
120	P	52.5	Low	33.7	Very low	108 Å²	108	127 Å²	127	70%	0.701	78%	0.775	S	S	*	*			cis	-144.8	155.7	-1.4	38.3	-16.2	0	0	0	121
121	V	33.8	Very low	34.1	Very low	137 Å²	137	129.5 Å²	129.5	83%	0.83	78%	0.777	S	S	*	*			trans	79.3	136.4	131.2	167.2	0	0	0	0	124.5
122	A	35.2	Very low	34.2	Very low	76 Å²	76	129.4 Å²	129.4	63%	0.628	77%	0.77	S	S	*	*			trans	67.5	151	154.2	0	0	0	0	0	121.8
123	D	30.4	Very low	34.2	Very low	146 Å²	146	130.5 Å²	130.5	78%	0.781	77%	0.769	S	S	*	*			cis	-161.4	133.7	-24.1	-99.7	-30.2	0	0	0	112.1
124	V	33.4	Very low	34	Very low	125 Å²	125	127.7 Å²	127.7	76%	0.758	76%	0.763	S	S	*	*				20.9	139.4	126	177.2	0	0	0	0	119.5
125	P	56.7	Low	34.2	Very low	112 Å²	112	125.6 Å²	125.6	73%	0.727	75%	0.752	S	S	*	*			cis	-149.4	-171.3	-25.2	44	-23.6	0	0	0	117.1
126	D	32.5	Very low	34.9	Very low	165 Å²	165	121.8 Å²	121.8	88%	0.882	74%	0.744	S	S	*	*			trans	73.3	159.8	143.5	-151	6.5	0	0	0	121.1
127	G	29.8	Very low	35.2	Very low	56 Å²	56	119.5 Å²	119.5	58%	0.577	74%	0.737	S	S	*	*			trans	140.9	19.6	160.7	0	0	0	0	0	123.7
128	S	32	Very low	35.8	Very low	106 Å²	106	119.6 Å²	119.6	74%	0.741	73%	0.732	S	S	*	*			trans	49.2	144.4	155.4	73.1	0	0	0	0	124.8
129	H	32.4	Very low	35.9	Very low	168 Å²	168	123.4 Å²	123.4	78%	0.778	74%	0.735	S	S	*	*			trans	83.6	138.5	141.6	-98.1	-67.2	0	0	0	124.6
130	F	28.4	Very low	35.3	Very low	174 Å²	174	121.4 Å²	121.4	76%	0.763	73%	0.728	S	S	*	*			trans	89.1	148.7	151	-98	-83.1	0	0	0	122.9
131	N	30.8	Very low	34.3	Very low	137 Å²	137	121.3 Å²	121.3	73%	0.733	73%	0.73	S	S	*	*			trans	-80.1	167.1	-169.2	-46.7	-47.7	0	0	0	113.5
132	S	29	Very low	34.2	Very low	96 Å²	96	119 Å²	119	67%	0.671	73%	0.725	S	S	*	*				146.5	130.8	98.9	-157.2	0	0	0	0	114.8
133	L	29.9	Very low	34	Very low	146 Å²	146	123 Å²	123	76%	0.764	74%	0.735	S	S	*	*			trans	63.1	164.6	156.9	-65.2	164.3	0	0	0	116.5
134	D	30.6	Very low	34	Very low	145 Å²	145	121.8 Å²	121.8	78%	0.775	73%	0.729	S	S	*	*			cis	-145.8	176.3	8.5	-131.6	-37.6	0	0	0	112.2
135	G	29	Very low	33.7	Very low	60 Å²	60	120.9 Å²	120.9	62%	0.619	72%	0.72	S	S	*	*			trans	-91.4	-146.2	167.5	0	0	0	0	0	112.8
136	P	52.5	Low	32.6	Very low	110 Å²	110	123 Å²	123	71%	0.714	72%	0.719	S	S	*	*			cis	-140.7	-169.4	-6.3	42.8	-24.5	0	0	0	115
137	D	34.1	Very low	32.5	Very low	142 Å²	142	122.4 Å²	122.4	76%	0.759	71%	0.711	S	S	*	*			trans	65.1	159.7	149.8	-72	-46.1	0	0	0	122
138	S	40.3	Very low	32.5	Very low	99 Å²	99	124 Å²	124	69%	0.692	71%	0.714	S	S	*	*			cis	-176.7	-177.6	-31.1	-92.2	0	0	0	0	106.8
139	E	33.4	Very low	32.2	Very low	168 Å²	168	124.5 Å²	124.5	79%	0.785	72%	0.716	S	S	*	*			cis	-159.5	-178.3	7.3	-147	-120.3	104	0	0	110.5
140	A	33.4	Very low	32.1	Very low	74 Å²	74	124.5 Å²	124.5	61%	0.612	72%	0.716	S	S	*	*			trans	60.1	153.7	151.5	0	0	0	0	0	121.7
141	S	31.9	Very low	32.2	Very low	105 Å²	105	122.7 Å²	122.7	73%	0.734	72%	0.715	S	S	*	*			cis	-171.5	132.8	-18.4	54.3	0	0	0	0	106.6
142	A	32.2	Very low	32.1	Very low	89 Å²	89	124.6 Å²	124.6	74%	0.736	72%	0.721	S	S	*	*				93.7	153	63.4	0	0	0	0	0	114.8
143	L	30.9	Very low	32.2	Very low	160 Å²	160	127.5 Å²	127.5	84%	0.838	73%	0.729	S	S	*	*			trans	77.1	144.4	170.2	-56.8	170.4	0	0	0	119.3
144	D	29.8	Very low	32.1	Very low	120 Å²	120	124.3 Å²	124.3	64%	0.642	73%	0.731	S	S	*	*			cis	-165.8	168.7	-32.2	-145.6	-6.5	0	0	0	114.2
145	N	28.8	Very low	32	Very low	106 Å²	106	125.3 Å²	125.3	57%	0.567	74%	0.736	S	S	*	*			trans	64.2	117.8	148.4	-71.4	-44.5	0	0	0	124.1
146	H	31.8	Very low	32.8	Very low	156 Å²	156	128.7 Å²	128.7	72%	0.722	75%	0.747	S	S	*	*				41	157.6	113.5	-64.1	-46.4	0	0	0	123.4
147	Q	32.2	Very low	31.6	Very low	153 Å²	153	126.5 Å²	126.5	72%	0.715	75%	0.745	S	S	*	*			cis	-175.3	161	-26.4	-172.8	152.4	-49	0	0	110
148	S	28	Very low	31.4	Very low	91 Å²	91	124.9 Å²	124.9	64%	0.636	74%	0.744	S	S	*	*			trans	66.8	117	151.3	46.6	0	0	0	0	123.5
149	C	26.5	Very low	31	Very low	115 Å²	115	128.4 Å²	128.4	78%	0.777	76%	0.755	S	S	*	*				86.7	127.3	119.9	-66.1	0	0	0	0	124.3
150	Q	30.4	Very low	30.8	Very low	169 Å²	169	124.2 Å²	124.2	79%	0.79	76%	0.756	S	S	*	*			trans	82.1	116.3	137.8	-74.1	176.1	-24.8	0	0	122.6
151	D	30.9	Very low	30.7	Very low	136 Å²	136	130 Å²	130	73%	0.727	77%	0.77	S	S	*	*			trans	46.8	123.8	132	-49.3	-23.9	0	0	0	122.1
152	M	29.3	Very low	30.7	Very low	177 Å²	177	135.3 Å²	135.3	87%	0.872	78%	0.775	S	S	*	*				-171.8	165	108.3	-96.5	-55.3	-126.8	0	0	114.1
153	D	30.1	Very low	30.6	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	77%	0.765	S	S	*	*			trans	-62.3	162.4	-168.4	-67	-71	0	0	0	119.1
154	G	28	Very low	30.6	Very low	79 Å²	79	139.6 Å²	139.6	81%	0.814	77%	0.765	S	S	*	*			trans	164.5	71.2	158.8	0	0	0	0	0	119.2
155	L	29.3	Very low	30.8	Very low	166 Å²	166	143.3 Å²	143.3	87%	0.869	78%	0.776	S	S	*	*			trans	-90.6	164.9	171.6	-133.7	80.5	0	0	0	111.8
156	P	44.3	Very low	30.8	Very low	131 Å²	131	147.7 Å²	147.7	85%	0.851	79%	0.79	S	S	*	*				-155.8	155.3	70.8	39.9	-18.8	0	0	0	120
157	G	28.7	Very low	30.6	Very low	65 Å²	65	149.2 Å²	149.2	67%	0.67	79%	0.794	S	S	*	*			trans	114.5	142.5	144.8	0	0	0	0	0	117.4
158	S	28.7	Very low	30.4	Very low	107 Å²	107	151.5 Å²	151.5	75%	0.748	80%	0.802	S	S	*	*			cis	-162	175.4	-13.1	69.2	0	0	0	0	111.1
159	L	33.2	Very low	30.3	Very low	174 Å²	174	157.1 Å²	157.1	91%	0.911	82%	0.815	S	S	*	*			trans	72.5	128.6	-176.5	-48.9	173.5	0	0	0	115.1
160	G	29.1	Very low	30.6	Very low	79 Å²	79	163 Å²	163	81%	0.814	82%	0.821	S	S	*	*			cis	-177	127.4	-10.9	0	0	0	0	0	111.5
161	Q	31.4	Very low	31	Very low	195 Å²	195	160.3 Å²	160.3	91%	0.911	82%	0.818	S	S	*	*			trans	-148.8	155.8	-174	-150.8	-173.7	51.3	0	0	112
162	R	31.3	Very low	30.9	Very low	218 Å²	218	160.2 Å²	160.2	82%	0.823	83%	0.825	S	S	*	*			trans	-133.3	122.8	165.8	-99.2	-172.6	152.8	171.5	-1.8	108.7
163	E	30.2	Very low	30.8	Very low	116 Å²	116	155 Å²	155	54%	0.542	82%	0.816	S	S	.	*				65.4	135.4	81.9	-69.1	-158	105.1	0	0	114.8
164	R	31.3	Very low	30.6	Very low	222 Å²	222	157.1 Å²	157.1	84%	0.838	81%	0.814	S	S	*	*			cis	-161.4	157	-8.6	-123.8	-179.8	-178.3	150.1	-8.4	109.9
165	K	33.5	Very low	30.5	Very low	198 Å²	198	163.2 Å²	163.2	86%	0.861	81%	0.814	S	S	*	*			trans	-77.5	144.4	171.3	-68	176.2	176.7	174	0	112.4
166	K	29.2	Very low	30.4	Very low	198 Å²	198	161 Å²	161	86%	0.861	80%	0.803	S	S	*	*				-178.1	142.6	129.5	-104	160.6	-174.9	173.8	0	117
167	K	26.9	Very low	29.6	Very low	188 Å²	188	164.8 Å²	164.8	82%	0.817	80%	0.802	S	S	*	*			trans	70.3	116.8	149.7	-72.9	-176.9	175.1	-179.1	0	122.3
168	K	28.2	Very low	29.5	Very low	201 Å²	201	169.1 Å²	169.1	87%	0.874	81%	0.809	S	S	*	*				42.3	124.8	129.9	-66.1	-171.1	173.9	-169.8	0	120.4
169	K	26.8	Very low	29.7	Very low	210 Å²	210	169.7 Å²	169.7	91%	0.913	80%	0.804	S	S	*	*				-160.9	153.6	111.5	-109.4	174.1	-178.3	-175	0	112.1
170	R	30.8	Very low	29.8	Very low	237 Å²	237	166.1 Å²	166.1	89%	0.894	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-93.2	168.5	159.9	-105.3	-176.3	-176.7	-178.5	0.7	107.9
171	P	39.3	Very low	29.9	Very low	114 Å²	114	165.5 Å²	165.5	74%	0.74	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-73.2	156.8	-152	29.9	-37.3	0	0	0	114.5
172	P	30.3	Very low	30	Very low	133 Å²	133	158.8 Å²	158.8	86%	0.864	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-79.6	144.7	158.7	34.7	-31.2	0	0	0	110.4
173	G	25.6	Very low	30	Very low	67 Å²	67	151.1 Å²	151.1	69%	0.691	74%	0.74	S	S	*	*			trans	-138.7	163.5	163.8	0	0	0	0	0	109.3
174	Y	26.2	Very low	30	Very low	201 Å²	201	152.3 Å²	152.3	79%	0.788	75%	0.746	S	S	*	*			trans	63.6	117.3	179.5	-89.6	-98.4	0	0	0	117.6
175	Y	25.5	Very low	30.1	Very low	208 Å²	208	146.6 Å²	146.6	82%	0.816	74%	0.74	S	S	*	*				-153.3	157.2	91	-125.5	-91.7	0	0	0	112.1
176	N	27.6	Very low	30.1	Very low	119 Å²	119	141.2 Å²	141.2	64%	0.636	73%	0.732	S	S	*	*			trans	-101.3	162.1	178.5	-76.7	-19.6	0	0	0	112.2
177	Y	28.1	Very low	30.1	Very low	210 Å²	210	137 Å²	137	82%	0.824	73%	0.728	S	S	*	*			trans	151.5	145	146.9	-87.3	-56.8	0	0	0	109
178	L	27.5	Very low	30.1	Very low	156 Å²	156	133.1 Å²	133.1	82%	0.817	72%	0.724	S	S	*	*			cis	-142.3	164.2	9.8	-116.7	172.1	0	0	0	110.6
179	D	30.8	Very low	30.1	Very low	120 Å²	120	127.9 Å²	127.9	64%	0.642	72%	0.719	S	S	*	*			trans	-111.8	165.2	170.2	-167.8	41.1	0	0	0	109.5
180	P	36.2	Very low	30.2	Very low	99 Å²	99	124.2 Å²	124.2	64%	0.643	71%	0.714	S	S	*	*				-152.8	167	123.4	37.2	-19.4	0	0	0	118
181	S	30.5	Very low	30.2	Very low	66 Å²	66	117.6 Å²	117.6	46%	0.462	71%	0.709	S	S	.	*			trans	73.9	124.1	172.3	27	0	0	0	0	118.7	D301 H302	S181-D301 VanDerWaalsContact C-OD1 3.23Å; S181-D301 VanDerWaalsContact CA-OD1 3.23Å; S181-D301 WeakPolarHBondContact CA-OD1 3.46Å; S181-D301 WeakPolarHBondContact CB-OD1 3.21Å; S181-H302 WeakPolarHBondContact CA-CE1 3.45Å; S181-H302 WeakPolarHBondContact CA-NE2 3.02Å; S181-H302 PolarHBondContact N-CE1 3.3Å; S181-H302 PolarHBondContact N-NE2 3.11Å
182	A	33.7	Very low	29.8	Very low	53 Å²	53	116.2 Å²	116.2	44%	0.438	71%	0.708	S	S	.	*			trans	142.7	118.1	-169.7	0	0	0	0	0	116.2	L300 D301 H302 L303	A182-L300 HydrophobicContact CB-CD2 3.33Å; A182-D301 PolarHBondContact N-OD1 3.25Å; A182-H302 VanDerWaalsContact C-CA 3.48Å; A182-H302 PolarHBondContact N-ND1 3.49Å; A182-H302 VanDerWaalsContact N-ND1 3.11Å; A182-H302 CarbonylContact O-C 3.54Å; A182-H302 VanDerWaalsContact O-CA 3.25Å; A182-H302 WeakPolarHBondContact O-CA 3.34Å; A182-H302 PolarHBondContact O-ND1 2.67Å; A182-L303 PolarHBondContact O-N 3.03Å
183	G	31.4	Very low	29.7	Very low	57 Å²	57	118 Å²	118	59%	0.588	71%	0.71	S	S	*	*	B	Isolated β-bridge	trans	-176.6	-101	-178.7	0	0	0	0	0	124.2	H302	G183-H302 VanDerWaalsContact CA-CA 3.45Å
184	E	31.7	Very low	29.7	Very low	141 Å²	141	118.4 Å²	118.4	66%	0.659	72%	0.715	S	S	*	*			trans	-107.5	172.2	-143.3	-74.8	-166.9	154.2	0	0	115.8	D301	E184-D301 PolarHBondContact N-O 3.24Å
185	S	32.4	Very low	29.7	Very low	103 Å²	103	113.5 Å²	113.5	72%	0.72	72%	0.716	S	S	*	*			cis	-173.5	-174.7	-26.7	72	0	0	0	0	107.6
186	A	32.9	Very low	30.9	Very low	84 Å²	84	109.1 Å²	109.1	69%	0.694	71%	0.712	S	S	*	*			cis	-169.8	-179.4	-8.3	0	0	0	0	0	110.8
187	S	29.1	Very low	31	Very low	110 Å²	110	108.9 Å²	108.9	77%	0.769	72%	0.715	S	S	*	*			trans	105.9	130.6	148.7	79.3	0	0	0	0	124.1
188	S	27.8	Very low	30.9	Very low	106 Å²	106	104.7 Å²	104.7	74%	0.741	71%	0.711	S	S	*	*			trans	42.8	117.4	151.9	46.8	0	0	0	0	122.4
189	A	28.4	Very low	30.9	Very low	91 Å²	91	101.1 Å²	101.1	75%	0.752	71%	0.705	S	S	*	*				87.4	141.1	73.2	0	0	0	0	0	114.1
190	V	29.6	Very low	30.8	Very low	134 Å²	134	102.7 Å²	102.7	81%	0.812	71%	0.712	S	S	*	*				-173.6	143.7	75.3	156.1	0	0	0	0	113
191	A	29.9	Very low	30.4	Very low	97 Å²	97	103.5 Å²	103.5	80%	0.802	72%	0.715	S	S	*	*			trans	61.8	159.4	157.5	0	0	0	0	0	120.7
192	A	30.4	Very low	30.3	Very low	85 Å²	85	107.7 Å²	107.7	70%	0.702	73%	0.732	S	S	*	*			cis	-145.4	163.9	6.6	0	0	0	0	0	113.4
193	D	27.9	Very low	30	Very low	170 Å²	170	108.4 Å²	108.4	91%	0.909	75%	0.745	S	S	*	*			trans	19.6	150.7	159.1	-59.8	-21.1	0	0	0	122.5
194	G	26.5	Very low	30	Very low	77 Å²	77	114.6 Å²	114.6	79%	0.794	76%	0.758	S	S	*	*			cis	177.5	159.2	2.7	0	0	0	0	0	110.2
195	A	26.6	Very low	29.9	Very low	98 Å²	98	111.4 Å²	111.4	81%	0.81	76%	0.756	S	S	*	*			trans	-111.4	-166.4	-170.5	0	0	0	0	0	112.1
196	P	50.3	Low	29.8	Very low	115 Å²	115	115 Å²	115	75%	0.747	77%	0.766	S	S	*	*			cis	-140.9	-163.6	-8.9	24.9	2	0	0	0	115.6
197	V	28.4	Very low	29.5	Very low	114 Å²	114	114.9 Å²	114.9	69%	0.691	77%	0.773	S	S	*	*			trans	110.5	124.8	142.5	-168	0	0	0	0	120.7
198	T	27.5	Very low	29.3	Very low	122 Å²	122	113.8 Å²	113.8	75%	0.748	78%	0.779	S	S	*	*			trans	60.5	137.2	162.7	50.4	0	0	0	0	119.6
199	A	27.6	Very low	29.4	Very low	82 Å²	82	114 Å²	114	68%	0.678	78%	0.78	S	S	*	*			cis	73.3	140.8	37.4	0	0	0	0	0	113
200	L	28.3	Very low	29.3	Very low	152 Å²	152	118.4 Å²	118.4	80%	0.796	79%	0.785	S	S	*	*			cis	-151.2	138.4	36.3	-73.4	161.5	0	0	0	110.1
201	V	27.6	Very low	29.4	Very low	116 Å²	116	119.9 Å²	119.9	70%	0.703	78%	0.783	S	S	*	*				91.2	136.3	99.9	172.6	0	0	0	0	117.6
202	N	28.9	Very low	29.2	Very low	155 Å²	155	120.5 Å²	120.5	83%	0.829	78%	0.781	S	S	*	*			trans	-0.3	153.3	156.2	-49.4	-10.2	0	0	0	120.7
203	G	27.2	Very low	29.1	Very low	67 Å²	67	120.7 Å²	120.7	69%	0.691	78%	0.778	S	S	*	*			cis	153	-165.3	-0.5	0	0	0	0	0	113.7
204	H	30.5	Very low	29.2	Very low	187 Å²	187	121.4 Å²	121.4	87%	0.866	78%	0.775	S	S	*	*			trans	5.1	146	157	-62.1	-74.2	0	0	0	121.2
205	A	30	Very low	29.3	Very low	74 Å²	74	124.7 Å²	124.7	61%	0.612	78%	0.775	S	S	*	*			cis	-174.5	167.9	-2.9	0	0	0	0	0	113
206	L	30.1	Very low	29.4	Very low	179 Å²	179	125.4 Å²	125.4	94%	0.937	77%	0.769	S	S	*	*			trans	43.9	126.6	144.4	-67.6	166.8	0	0	0	122.1
207	G	27.2	Very low	28.3	Very low	82 Å²	82	126.7 Å²	126.7	85%	0.845	77%	0.77	S	S	*	*				127.3	146.9	118.7	0	0	0	0	0	118.8
208	G	25.1	Very low	28.3	Very low	87 Å²	87	126 Å²	126	90%	0.897	77%	0.77	S	S	*	*			trans	110	115.7	159.5	0	0	0	0	0	116.5
209	S	28.9	Very low	28.4	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	78%	0.775	S	S	*	*			trans	-104.9	156.7	169	52.6	0	0	0	0	111.3
210	H	27.8	Very low	28.4	Very low	184 Å²	184	129.1 Å²	129.1	85%	0.852	77%	0.771	S	S	*	*			trans	-165.3	-176	135	-112.1	-74.5	0	0	0	112.2
211	H	30.2	Very low	28.5	Very low	164 Å²	164	129.9 Å²	129.9	76%	0.759	78%	0.775	S	S	*	*			trans	-96.4	173.7	-155.6	-93.7	-108.9	0	0	0	116.5
212	S	25.8	Very low	28.5	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	78%	0.778	S	S	*	*			trans	70.9	152.2	151.3	60.7	0	0	0	0	119.3
213	S	28.9	Very low	28.5	Very low	89 Å²	89	125.8 Å²	125.8	62%	0.622	77%	0.769	S	S	*	*			cis	-171.4	154.2	-27.5	50.9	0	0	0	0	109.1
214	E	30	Very low	28.6	Very low	184 Å²	184	130 Å²	130	86%	0.86	78%	0.775	S	S	*	*			trans	63.4	156.8	158.5	-70.1	162.3	160.4	0	0	117.4
215	D	28.4	Very low	28.6	Very low	146 Å²	146	128.7 Å²	128.7	78%	0.781	77%	0.769	S	S	*	*			cis	-164.2	-169.7	-25.3	-175	19.5	0	0	0	107.9
216	V	29.5	Very low	28.5	Very low	113 Å²	113	131.4 Å²	131.4	69%	0.685	77%	0.773	S	S	*	*			trans	85.6	80.9	158.4	-159.3	0	0	0	0	119.3
217	N	27.4	Very low	28.3	Very low	143 Å²	143	128.2 Å²	128.2	77%	0.765	76%	0.764	S	S	*	*				48.9	147.2	110.7	-159.5	13.2	0	0	0	123.1
218	S	28.4	Very low	28.2	Very low	99 Å²	99	130.4 Å²	130.4	69%	0.692	76%	0.762	S	S	*	*			trans	83.7	150.6	152.8	80.3	0	0	0	0	120.6
219	K	28.6	Very low	29	Very low	197 Å²	197	132.2 Å²	132.2	86%	0.857	76%	0.757	S	S	*	*			cis	-174.1	148.7	-26.1	-174.7	-176.5	177.2	-177.5	0	111.5
220	A	27.7	Very low	28.9	Very low	72 Å²	72	131.2 Å²	131.2	60%	0.595	76%	0.756	S	S	*	*			trans	74.7	134.9	149.3	0	0	0	0	0	125.3
221	L	29.7	Very low	29.9	Very low	168 Å²	168	128.1 Å²	128.1	88%	0.88	75%	0.752	S	S	*	*			trans	68.6	160.9	139.9	-63.3	170.6	0	0	0	118.5
222	S	27.6	Very low	29.9	Very low	109 Å²	109	124.7 Å²	124.7	76%	0.762	75%	0.752	S	S	*	*			cis	-174.3	165.5	-7.1	39	0	0	0	0	108.4
223	A	29.9	Very low	30.2	Very low	77 Å²	77	124 Å²	124	64%	0.636	75%	0.747	S	S	*	*			cis	-171.9	-167.9	-17.5	0	0	0	0	0	108.5
224	D	28.3	Very low	30.2	Very low	154 Å²	154	127.2 Å²	127.2	82%	0.824	76%	0.758	S	S	*	*			trans	67.4	162.8	159.5	-54.6	-23.7	0	0	0	118.1
225	E	30.7	Very low	30.3	Very low	160 Å²	160	122.5 Å²	122.5	75%	0.748	75%	0.75	S	S	*	*			cis	-164	173.5	-12.2	-119.9	-157.7	167.6	0	0	107.6
226	L	29	Very low	30.4	Very low	131 Å²	131	121.4 Å²	121.4	69%	0.686	75%	0.749	S	S	*	*			cis	-164.7	165.7	-13.9	-168.9	63.1	0	0	0	109.9
227	C	24.4	Very low	30.6	Very low	112 Å²	112	120.8 Å²	120.8	76%	0.757	75%	0.749	S	S	*	*			trans	99.1	151.7	138.8	-129.9	0	0	0	0	123.8
228	T	26.1	Very low	30.8	Very low	129 Å²	129	120.1 Å²	120.1	79%	0.791	75%	0.75	S	S	*	*			trans	-107.7	-175.9	-172.3	16.5	0	0	0	0	111.6
229	P	42.1	Very low	31.1	Very low	124 Å²	124	119.8 Å²	119.8	81%	0.805	75%	0.754	S	S	*	*			cis	-144	-167.3	26	43	-20.1	0	0	0	118.2
230	A	26.5	Very low	31.4	Very low	90 Å²	90	115.6 Å²	115.6	74%	0.744	75%	0.75	S	S	*	*			trans	-93.9	-158.6	-179.7	0	0	0	0	0	112.3
231	P	47.8	Very low	31.8	Very low	118 Å²	118	118 Å²	118	77%	0.766	76%	0.756	S	S	*	*			cis	-146.8	-174.9	18.7	45.5	-24.7	0	0	0	119.2
232	A	30.4	Very low	31.9	Very low	93 Å²	93	119.9 Å²	119.9	77%	0.769	76%	0.758	S	S	*	*			trans	72.7	151.5	149.8	0	0	0	0	0	120.7
233	S	32.8	Very low	32.1	Very low	95 Å²	95	118.7 Å²	118.7	66%	0.664	75%	0.754	S	S	*	*			cis	-173.2	159.3	-17.6	53.9	0	0	0	0	112.9
234	N	29.3	Very low	33.2	Very low	158 Å²	158	120.7 Å²	120.7	85%	0.845	76%	0.761	S	S	*	*			trans	68.2	162	159.5	-57.8	-16.9	0	0	0	118.8
235	A	32.3	Very low	33.6	Very low	84 Å²	84	119.4 Å²	119.4	69%	0.694	76%	0.759	S	S	*	*			cis	-178.7	174.5	-32.5	0	0	0	0	0	107.4
236	T	30.8	Very low	33.9	Very low	124 Å²	124	117 Å²	117	76%	0.761	76%	0.76	S	S	*	*			cis	-165.2	164.2	1.7	-14.2	0	0	0	0	110.5
237	S	33	Very low	34.1	Very low	100 Å²	100	116.4 Å²	116.4	70%	0.699	76%	0.762	S	S	*	*			trans	72.2	153	146.1	-65.3	0	0	0	0	120.9
238	T	31.5	Very low	34.7	Very low	128 Å²	128	115.1 Å²	115.1	79%	0.785	76%	0.759	S	S	*	*			cis	-162.1	150.6	-0.3	7.6	0	0	0	0	114.3
239	A	35.3	Very low	35.1	Very low	92 Å²	92	115 Å²	115	76%	0.76	75%	0.754	S	S	*	*			trans	65.9	153.4	138.7	0	0	0	0	0	121.1
240	S	35.2	Very low	34.7	Very low	110 Å²	110	115.5 Å²	115.5	77%	0.769	75%	0.745	S	S	*	*			cis	179	170.2	-16.4	53.9	0	0	0	0	109.3
241	V	36	Very low	35	Very low	121 Å²	121	120.7 Å²	120.7	73%	0.733	75%	0.746	S	S	*	*			cis	178.9	140.4	-35.4	145.3	0	0	0	0	104.9
242	F	30.4	Very low	34.2	Very low	208 Å²	208	120.5 Å²	120.5	91%	0.912	74%	0.743	S	S	*	*			trans	-177.8	143.5	139.1	-104.5	-63.9	0	0	0	115
243	A	31.3	Very low	34.2	Very low	84 Å²	84	120.9 Å²	120.9	69%	0.694	74%	0.739	S	S	*	*			trans	-160.9	168.7	170.8	0	0	0	0	0	110.6
244	P	53.7	Low	33.9	Very low	119 Å²	119	123.2 Å²	123.2	77%	0.773	74%	0.743	S	S	*	*			trans	-142.1	-179.4	152.4	38.5	-23.4	0	0	0	113.6
245	T	36.2	Very low	34	Very low	128 Å²	128	119.6 Å²	119.6	79%	0.785	73%	0.731	S	S	*	*				-168.3	139.5	-58.2	41.7	0	0	0	0	107.3
246	S	37.9	Very low	34.3	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	73%	0.734	S	S	*	*			cis	-130.9	-79.3	-9.1	25.2	0	0	0	0	110.6
247	T	33.6	Very low	34.1	Very low	118 Å²	118	123 Å²	123	72%	0.724	73%	0.733	S	S	*	*			cis	-166.6	145.9	-23.3	-35	0	0	0	0	105.8
248	A	36.3	Very low	33.8	Very low	85 Å²	85	125.2 Å²	125.2	70%	0.702	74%	0.738	S	S	*	*			cis	-162.9	-163.7	-35.5	0	0	0	0	0	105.3
249	N	34.3	Very low	33.6	Very low	126 Å²	126	123.5 Å²	123.5	67%	0.674	73%	0.731	S	S	*	*			cis	-165.4	123	6.1	-159	-0.5	0	0	0	111.2
250	Q	34.6	Very low	33.2	Very low	135 Å²	135	123.4 Å²	123.4	63%	0.631	73%	0.725	S	S	*	*			trans	65.8	154.4	160.3	-73	167.3	65.6	0	0	119.4
251	R	31.9	Very low	32.8	Very low	198 Å²	198	125.2 Å²	125.2	75%	0.747	73%	0.725	S	S	*	*			cis	-151.1	149.9	7.2	-142.8	177.3	-96.9	173.2	-6.6	112.3
252	T	32	Very low	32.7	Very low	115 Å²	115	126 Å²	126	71%	0.706	73%	0.725	S	S	*	*			trans	18.9	132.8	151.1	54.2	0	0	0	0	119.3
253	C	29.6	Very low	32.5	Very low	101 Å²	101	124.2 Å²	124.2	68%	0.682	72%	0.724	S	S	*	*			cis	-166.8	-172.7	17	-119.9	0	0	0	0	109.5
254	D	27.5	Very low	32.3	Very low	143 Å²	143	126.6 Å²	126.6	77%	0.765	73%	0.73	S	S	*	*			cis	-152.6	-171.9	8.9	-136.1	-56.4	0	0	0	111.9
255	S	30	Very low	31.2	Very low	83 Å²	83	124.7 Å²	124.7	58%	0.58	73%	0.733	S	S	*	*			trans	-122.4	-176.5	-179.2	-64.8	0	0	0	0	111.5
256	P	38.7	Very low	30.7	Very low	116 Å²	116	122.6 Å²	122.6	75%	0.753	74%	0.736	S	S	*	*			cis	-113.7	164.2	-9.9	24.4	-2.1	0	0	0	112.3
257	E	28.1	Very low	30.3	Very low	162 Å²	162	122.1 Å²	122.1	76%	0.757	74%	0.739	S	S	*	*			cis	76.9	103.2	38.3	-61.4	-169.1	124.4	0	0	115.8
258	D	26.3	Very low	30	Very low	147 Å²	147	121 Å²	121	79%	0.786	74%	0.742	S	S	*	*				-157.5	125.6	120.7	-101.2	-34.4	0	0	0	106.2
259	S	26.9	Very low	29.6	Very low	92 Å²	92	122.1 Å²	122.1	64%	0.643	74%	0.744	S	S	*	*			cis	69.7	145.3	48.6	112	0	0	0	0	113.5
260	S	26.5	Very low	29.3	Very low	90 Å²	90	124 Å²	124	63%	0.629	75%	0.754	S	S	*	*			cis	-172.3	154.8	-38.1	50.3	0	0	0	0	107.7
261	L	27.9	Very low	29	Very low	149 Å²	149	121.7 Å²	121.7	78%	0.78	75%	0.752	S	S	*	*			trans	67.8	123.4	165.2	-61.9	167.4	0	0	0	114.9
262	D	32.6	Very low	28.8	Very low	138 Å²	138	119.7 Å²	119.7	74%	0.738	76%	0.756	S	S	*	*				60.5	129.8	83	-86.1	-33.5	0	0	0	114.8
263	L	26.7	Very low	28.7	Very low	170 Å²	170	117.5 Å²	117.5	89%	0.89	76%	0.757	S	S	*	*			trans	-156	159.6	136.2	-114.3	176.8	0	0	0	111.7
264	T	27.9	Very low	29	Very low	133 Å²	133	120.6 Å²	120.6	82%	0.816	77%	0.767	S	S	*	*			trans	-132.1	163.4	-168.1	52	0	0	0	0	112
265	G	29.5	Very low	29.1	Very low	80 Å²	80	122.1 Å²	122.1	83%	0.825	78%	0.775	S	S	*	*			trans	128.6	142.4	164.7	0	0	0	0	0	114.5
266	G	27	Very low	29.1	Very low	83 Å²	83	122.1 Å²	122.1	86%	0.856	78%	0.78	S	S	*	*			cis	151.2	109.3	-10.7	0	0	0	0	0	114.7
267	A	27.9	Very low	28.7	Very low	101 Å²	101	123.2 Å²	123.2	84%	0.835	79%	0.785	S	S	*	*			trans	-158.6	120.7	157.8	0	0	0	0	0	107.4
268	A	27.8	Very low	28.8	Very low	94 Å²	94	120.1 Å²	120.1	78%	0.777	78%	0.781	S	S	*	*			cis	101.1	94.2	27.7	0	0	0	0	0	113.8
269	S	27.2	Very low	28.9	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	78%	0.778	S	S	*	*				-177.3	122.7	129.2	-81.5	0	0	0	0	113.4
270	L	28.9	Very low	28.9	Very low	166 Å²	166	118.3 Å²	118.3	87%	0.869	78%	0.78	S	S	*	*			trans	55.8	138	133.8	-52.6	177.1	0	0	0	120.7
271	S	28.6	Very low	28.9	Very low	85 Å²	85	118.6 Å²	118.6	59%	0.594	78%	0.782	S	S	*	*			cis	-161.5	170.1	-8	57	0	0	0	0	111.8
272	D	27.7	Very low	28.9	Very low	156 Å²	156	116.9 Å²	116.9	83%	0.834	78%	0.782	S	S	*	*			trans	63.2	133.1	158.9	-44.6	-49.9	0	0	0	119.9
273	G	30.2	Very low	28.8	Very low	70 Å²	70	115 Å²	115	72%	0.722	78%	0.78	S	S	*	*			cis	179.9	164	-6.7	0	0	0	0	0	114.6
274	N	35.4	Very low	28.9	Very low	166 Å²	166	111.6 Å²	111.6	89%	0.888	77%	0.77	S	S	*	*			trans	60.5	95	163.6	-67.4	-7.2	0	0	0	122.1
275	N	30.5	Very low	28.9	Very low	174 Å²	174	114.1 Å²	114.1	93%	0.93	77%	0.773	S	S	*	*				29.7	152.4	121.6	-84.3	-5.5	0	0	0	123.8
276	A	29.9	Very low	28.9	Very low	83 Å²	83	114.7 Å²	114.7	69%	0.686	76%	0.764	S	S	*	*			trans	-109.9	-169.7	179	0	0	0	0	0	113.3
277	T	30.3	Very low	29.1	Very low	140 Å²	140	121.3 Å²	121.3	86%	0.859	76%	0.763	S	S	*	*			trans	70	146.9	176	62	0	0	0	0	115.5
278	S	29.7	Very low	29.1	Very low	96 Å²	96	124.3 Å²	124.3	67%	0.671	76%	0.76	S	S	*	*			cis	-159.9	178.9	-4.7	47.5	0	0	0	0	109.6
279	S	27.4	Very low	29.2	Very low	105 Å²	105	127.4 Å²	127.4	73%	0.734	76%	0.76	S	S	*	*			trans	62.4	151.5	147.5	46.2	0	0	0	0	119.4
280	S	27.3	Very low	29.3	Very low	97 Å²	97	128.3 Å²	128.3	68%	0.678	76%	0.761	S	S	*	*			cis	-171.2	174.4	-15.9	51.3	0	0	0	0	109.8
281	S	27.6	Very low	29.1	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	76%	0.755	S	S	*	*			trans	63.5	135	142.9	55.5	0	0	0	0	122
282	S	27.8	Very low	29	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	76%	0.757	S	S	*	*			trans	73	146.5	153.8	72.9	0	0	0	0	119.1
283	S	29.3	Very low	29	Very low	98 Å²	98	123 Å²	123	69%	0.685	74%	0.743	S	S	*	*			cis	-171.1	146.4	-23.8	50.4	0	0	0	0	111.5
284	S	28.3	Very low	29	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	75%	0.749	S	S	*	*			trans	59.5	133.1	143.5	-59.4	0	0	0	0	121.9
285	Q	29.1	Very low	28.6	Very low	185 Å²	185	128.5 Å²	128.5	86%	0.864	74%	0.744	S	S	*	*			trans	69	155.9	149.8	-65	165.8	10	0	0	117.9
286	S	29.9	Very low	28.5	Very low	92 Å²	92	124.4 Å²	124.4	64%	0.643	73%	0.734	S	S	*	*			cis	-172.1	159	-29.8	58.2	0	0	0	0	110
287	R	29.9	Very low	28.3	Very low	223 Å²	223	126.5 Å²	126.5	84%	0.842	73%	0.734	S	S	*	*			trans	63.3	107.5	161.1	-73.7	176.2	156.6	165.7	-5.9	119.4
288	E	28.8	Very low	28.1	Very low	163 Å²	163	126.7 Å²	126.7	76%	0.762	73%	0.725	S	S	*	*				46.8	148.3	96.3	-162.6	171.3	-135.8	0	0	121.3
289	M	29.8	Very low	28	Very low	160 Å²	160	130 Å²	130	79%	0.788	73%	0.729	S	S	*	*			trans	80.7	149.4	178.7	-57.5	-152.8	175.5	0	0	115.9
290	T	28.2	Very low	28.2	Very low	128 Å²	128	130 Å²	130	79%	0.785	72%	0.721	S	S	*	*			cis	-166.3	167.2	-11	19.9	0	0	0	0	107.8
291	E	26.1	Very low	28.3	Very low	155 Å²	155	128.7 Å²	128.7	72%	0.724	71%	0.706	S	S	*	*			cis	-156	154.8	-14.8	-179.5	-95.9	134.4	0	0	108.3	S293	E291-S293 PolarHBondContact OE1-OG 2.6Å
292	G	25.6	Very low	28.5	Very low	62 Å²	62	126.8 Å²	126.8	64%	0.639	69%	0.687	S	S	*	*			trans	84.4	175.8	149.1	0	0	0	0	0	120.2
293	S	27.8	Very low	28.6	Very low	79 Å²	79	127.1 Å²	127.1	55%	0.552	68%	0.679	S	S	*	*			cis	-177.2	131.5	-22.4	-115	0	0	0	0	110.2	E291	E291-S293 PolarHBondContact OE1-OG 2.6Å
294	R	29.6	Very low	28.9	Very low	226 Å²	226	126.2 Å²	126.2	85%	0.853	68%	0.677	S	S	*	*			trans	69.7	158.9	157.1	-57.2	174.4	-173.6	176.9	1.6	116.4
295	T	28.3	Very low	29.5	Very low	125 Å²	125	127.1 Å²	127.1	77%	0.767	68%	0.68	S	S	*	*			cis	-164.7	153.5	-2.3	7	0	0	0	0	112.2
296	A	27.5	Very low	29.5	Very low	87 Å²	87	127.2 Å²	127.2	72%	0.719	68%	0.681	S	S	*	*			trans	65.6	156.8	143.5	0	0	0	0	0	120.2
297	D	25.4	Very low	29.5	Very low	128 Å²	128	128.2 Å²	128.2	68%	0.684	69%	0.688	S	S	*	*			cis	-160	163.8	-0.3	-130.9	-32.9	0	0	0	114.9
298	Q	27.7	Very low	30.3	Very low	143 Å²	143	123 Å²	123	67%	0.668	68%	0.683	S	S	*	*			trans	36.7	129.9	151.6	-77.5	156.6	67.9	0	0	123.6
299	Q	26.8	Very low	30.3	Very low	165 Å²	165	123.5 Å²	123.5	77%	0.771	69%	0.685	S	S	*	*				75.7	147	75.9	-75.7	-176.9	-101.3	0	0	115.9
300	L	32.5	Very low	30.4	Very low	107 Å²	107	122.5 Å²	122.5	56%	0.56	68%	0.683	S	S	*	*			cis	-165.5	176.4	8.4	-117.7	179.7	0	0	0	113.5	A182	A182-L300 HydrophobicContact CB-CD2 3.33Å
301	D	29.3	Very low	30.3	Very low	68 Å²	68	120.9 Å²	120.9	36%	0.364	68%	0.676	S	S	.	*			trans	64.9	153.5	156.1	-90.1	25.5	0	0	0	124.4	S181 A182 E184	S181-D301 VanDerWaalsContact C-OD1 3.23Å; S181-D301 VanDerWaalsContact CA-OD1 3.23Å; S181-D301 WeakPolarHBondContact CA-OD1 3.46Å; S181-D301 WeakPolarHBondContact CB-OD1 3.21Å; A182-D301 PolarHBondContact N-OD1 3.25Å; E184-D301 PolarHBondContact N-O 3.24Å
302	H	31.5	Very low	30.2	Very low	57 Å²	57	120.9 Å²	120.9	26%	0.264	68%	0.681	S	S	.	*	B	Isolated β-bridge	cis	-150.3	141.1	-25.3	-157.2	12.9	0	0	0	116	S181 A182 G183	S181-H302 WeakPolarHBondContact CA-CE1 3.45Å; S181-H302 WeakPolarHBondContact CA-NE2 3.02Å; S181-H302 PolarHBondContact N-CE1 3.3Å; S181-H302 PolarHBondContact N-NE2 3.11Å; A182-H302 VanDerWaalsContact C-CA 3.48Å; A182-H302 PolarHBondContact N-ND1 3.49Å; A182-H302 VanDerWaalsContact N-ND1 3.11Å; A182-H302 CarbonylContact O-C 3.54Å; A182-H302 VanDerWaalsContact O-CA 3.25Å; A182-H302 WeakPolarHBondContact O-CA 3.34Å; A182-H302 PolarHBondContact O-ND1 2.67Å; G183-H302 VanDerWaalsContact CA-CA 3.45Å
303	L	30.3	Very low	30.2	Very low	120 Å²	120	122.4 Å²	122.4	63%	0.628	69%	0.688	S	S	*	*			trans	87.5	165.4	151.6	-93.8	162.8	0	0	0	124.3	A182	A182-L303 PolarHBondContact O-N 3.03Å
304	A	34.2	Very low	31.2	Very low	78 Å²	78	123.5 Å²	123.5	65%	0.645	69%	0.693	S	S	*	*			trans	-134.6	178	173	0	0	0	0	0	109.5
305	P	41.5	Very low	31.1	Very low	118 Å²	118	121.3 Å²	121.3	77%	0.766	69%	0.692	S	S	*	*				-166	176.1	109.1	42.6	-21.8	0	0	0	120.5
306	Q	28.5	Very low	31.2	Very low	187 Å²	187	120.4 Å²	120.4	87%	0.874	69%	0.691	S	S	*	*			trans	89.2	143.6	150.6	-55.8	-153.3	-3	0	0	124.1
307	S	30.9	Very low	32.2	Very low	113 Å²	113	120.7 Å²	120.7	79%	0.79	69%	0.685	S	S	*	*			trans	-143.4	168.2	167.9	-47.3	0	0	0	0	108.7
308	P	46.4	Very low	32.4	Very low	113 Å²	113	123 Å²	123	73%	0.734	69%	0.692	S	S	*	*			trans	-146.3	139.6	147.1	35.7	-18.5	0	0	0	117.8
309	E	29.4	Very low	32.4	Very low	175 Å²	175	121.1 Å²	121.1	82%	0.818	69%	0.694	S	S	*	*				48.5	160.7	122.1	-65	-168.6	104.5	0	0	124.2
310	L	29.9	Very low	32.5	Very low	139 Å²	139	122.4 Å²	122.4	73%	0.728	70%	0.697	S	S	*	*			cis	-170.2	167.5	-36.5	-118.7	178.1	0	0	0	112
311	S	26.7	Very low	32.4	Very low	93 Å²	93	122.1 Å²	122.1	65%	0.65	70%	0.704	S	S	*	*			trans	67.8	128	146.4	59.1	0	0	0	0	126.2
312	D	24.7	Very low	32.9	Very low	156 Å²	156	125 Å²	125	83%	0.834	73%	0.726	S	S	*	*			trans	59.9	108.9	131.6	-63.9	-17.1	0	0	0	127.2
313	A	25.3	Very low	32.9	Very low	93 Å²	93	129.7 Å²	129.7	77%	0.769	75%	0.753	S	S	*	*				60.1	-179.1	127	0	0	0	0	0	121
314	P	48.6	Very low	34.6	Very low	102 Å²	102	129 Å²	129	66%	0.662	76%	0.755	S	S	*	*			cis	-126	-168	-25.7	17.5	8	0	0	0	114.2
315	H	27.1	Very low	35.4	Very low	181 Å²	181	131 Å²	131	84%	0.838	76%	0.762	S	S	*	*			trans	97.5	151.2	158.8	-58.9	-74.5	0	0	0	121.5
316	S	31.6	Very low	35.1	Very low	106 Å²	106	130.3 Å²	130.3	74%	0.741	76%	0.76	S	S	*	*			trans	-133.2	170	169.7	71.5	0	0	0	0	107.5
317	P	48.3	Very low	35.5	Very low	93 Å²	93	125.5 Å²	125.5	60%	0.604	75%	0.752	S	S	*	*				-156.2	179.3	64.3	39.3	-16.3	0	0	0	118.2
318	H	28.8	Very low	35.5	Very low	176 Å²	176	126.2 Å²	126.2	82%	0.815	75%	0.751	S	S	*	*			trans	66	142.8	165.2	-53.1	-53.2	0	0	0	117.5
319	S	28.7	Very low	34.9	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	75%	0.753	S	S	*	*			cis	-152	-170.7	3.1	-138.4	0	0	0	0	108.9
320	K	28.3	Very low	34.9	Very low	191 Å²	191	121.6 Å²	121.6	83%	0.83	75%	0.753	S	S	*	*			cis	-153	-159.4	11.6	-146.9	172	-173.1	178.3	0	109.9
321	S	30.8	Very low	35	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	75%	0.754	S	S	*	*			trans	-146.4	171.7	171.1	-47.8	0	0	0	0	110.8
322	P	40.3	Very low	36	Very low	127 Å²	127	120.3 Å²	120.3	83%	0.825	76%	0.758	S	S	*	*				-140.7	172.3	101.6	38.9	-25.7	0	0	0	116
323	L	29.9	Very low	36.3	Very low	157 Å²	157	118 Å²	118	82%	0.822	75%	0.754	S	S	*	*			trans	-155.8	-172	-178.6	-87.7	168	0	0	0	107.4
324	P	65.6	Low	36.6	Very low	104 Å²	104	118 Å²	118	68%	0.675	75%	0.754	S	S	*	*				-111.6	-150.6	-74.4	34.7	-14.5	0	0	0	110.2
325	P	52.1	Low	35.8	Very low	120 Å²	120	120.5 Å²	120.5	78%	0.779	76%	0.761	S	S	*	*				-125.4	153.4	69.3	7.8	16.6	0	0	0	113.5
326	S	35.3	Very low	35.8	Very low	104 Å²	104	117.4 Å²	117.4	73%	0.727	76%	0.755	S	S	*	*				77.6	138	55	-137.7	0	0	0	0	112.7
327	A	36.1	Very low	35.6	Very low	86 Å²	86	117 Å²	117	71%	0.711	75%	0.752	S	S	*	*			cis	-163	176.2	6.5	0	0	0	0	0	109.9
328	V	32.1	Very low	34.5	Very low	128 Å²	128	118.2 Å²	118.2	78%	0.776	76%	0.758	S	S	*	*			cis	-174.7	152.3	-24.4	132.6	0	0	0	0	108.8
329	A	32.7	Very low	34.4	Very low	93 Å²	93	115.5 Å²	115.5	77%	0.769	75%	0.754	S	S	*	*			trans	67.7	157.6	163.2	0	0	0	0	0	119.5
330	A	29.8	Very low	34.3	Very low	99 Å²	99	116 Å²	116	82%	0.818	75%	0.753	S	S	*	*			cis	-165.2	170.1	-24.5	0	0	0	0	0	111.2
331	A	31.5	Very low	34.3	Very low	90 Å²	90	111.7 Å²	111.7	74%	0.744	74%	0.743	S	S	*	*			trans	-95.5	-179.7	166.5	0	0	0	0	0	110
332	P	49.2	Very low	34.2	Very low	114 Å²	114	114.9 Å²	114.9	74%	0.74	75%	0.746	S	S	*	*			cis	-148.9	-170.4	16.2	45	-23.8	0	0	0	118.4
333	S	30.8	Very low	33.8	Very low	108 Å²	108	115.1 Å²	115.1	76%	0.755	74%	0.74	S	S	*	*			trans	79.2	104.1	145.8	-62.8	0	0	0	0	123.8
334	A	30.9	Very low	33.8	Very low	93 Å²	93	115.7 Å²	115.7	77%	0.769	74%	0.739	S	S	*	*				81.3	151.5	117.5	0	0	0	0	0	124.2
335	L	31.1	Very low	31.9	Very low	155 Å²	155	114.2 Å²	114.2	81%	0.812	74%	0.743	S	S	*	*			trans	87.3	119.5	155.7	-72.6	167.4	0	0	0	122.8
336	T	28.1	Very low	30.8	Very low	116 Å²	116	114.1 Å²	114.1	71%	0.712	74%	0.74	S	S	*	*			trans	69.8	122.8	137.7	45.3	0	0	0	0	125.1
337	S	26.9	Very low	30.5	Very low	97 Å²	97	120.6 Å²	120.6	68%	0.678	75%	0.748	S	S	*	*				94.9	114.7	124.5	-65.6	0	0	0	0	123.6
338	T	26.2	Very low	30.2	Very low	119 Å²	119	120.7 Å²	120.7	73%	0.73	75%	0.749	S	S	*	*			trans	68	145.7	131	56.1	0	0	0	0	123.6
339	T	25.3	Very low	30.3	Very low	119 Å²	119	119.1 Å²	119.1	73%	0.73	75%	0.75	S	S	*	*			trans	67.2	142.4	147.1	42	0	0	0	0	119.8
340	T	27.1	Very low	30.2	Very low	113 Å²	113	121.4 Å²	121.4	69%	0.693	75%	0.749	S	S	*	*			cis	-167.9	173.9	-26.2	9.2	0	0	0	0	109
341	T	28.4	Very low	30.3	Very low	102 Å²	102	122.1 Å²	122.1	63%	0.626	74%	0.743	S	S	*	*			trans	57.3	120.1	147.1	47.7	0	0	0	0	121.7
342	E	29.7	Very low	30.3	Very low	168 Å²	168	121.3 Å²	121.3	79%	0.785	74%	0.743	S	S	*	*				67.5	157.2	124.4	-61.1	-178.1	166	0	0	119.8
343	L	31.5	Very low	29.4	Very low	132 Å²	132	122.4 Å²	122.4	69%	0.691	75%	0.748	S	S	*	*			cis	-152.7	-169.8	-14.5	-115.3	166	0	0	0	109.6
344	E	28.9	Very low	29.6	Very low	169 Å²	169	120.9 Å²	120.9	79%	0.79	74%	0.742	S	S	*	*			trans	-24.4	156.4	175	-66.4	160.8	113	0	0	120.7
345	G	27.2	Very low	29.7	Very low	74 Å²	74	123.5 Å²	123.5	76%	0.763	74%	0.743	S	S	*	*			trans	-156.2	-15.5	-177.7	0	0	0	0	0	122.5
346	T	27.9	Very low	29.6	Very low	117 Å²	117	119 Å²	119	72%	0.718	73%	0.734	S	S	*	*			trans	52.5	106	156.9	-59.1	0	0	0	0	121.6
347	R	29.1	Very low	29.8	Very low	241 Å²	241	119.7 Å²	119.7	91%	0.909	73%	0.733	S	S	*	*			trans	68.4	158.9	142.5	-70.9	-178.9	176.5	172.6	-1.6	120
348	A	30.4	Very low	30	Very low	87 Å²	87	122.5 Å²	122.5	72%	0.719	74%	0.735	S	S	*	*			cis	-170.5	179.6	-19.1	0	0	0	0	0	111.7
349	A	32.7	Very low	30.4	Very low	96 Å²	96	123.5 Å²	123.5	79%	0.793	73%	0.731	S	S	*	*			trans	77.5	151.5	163.1	0	0	0	0	0	116.3
350	D	31.6	Very low	31.1	Very low	141 Å²	141	122.6 Å²	122.6	75%	0.754	73%	0.728	S	S	*	*			cis	-161.6	-177	-4.4	-147.2	31.5	0	0	0	109.6
351	T	31.3	Very low	31.1	Very low	114 Å²	114	121.6 Å²	121.6	70%	0.699	73%	0.725	S	S	*	*			cis	-151.3	132.6	5.6	-50	0	0	0	0	111.6
352	G	31.2	Very low	31	Very low	72 Å²	72	123.2 Å²	123.2	74%	0.742	74%	0.735	S	S	*	*			trans	62.7	177.2	144.9	0	0	0	0	0	121.5
353	V	31.5	Very low	31	Very low	137 Å²	137	122.5 Å²	122.5	83%	0.83	74%	0.736	S	S	*	*			cis	-143.3	148.1	-4.7	175.7	0	0	0	0	111.4
354	A	34.7	Very low	30.8	Very low	77 Å²	77	122.8 Å²	122.8	64%	0.636	74%	0.743	S	S	*	*			trans	-43.5	-179.7	174	0	0	0	0	0	118.9
355	N	33	Very low	30.6	Very low	147 Å²	147	119.6 Å²	119.6	79%	0.786	74%	0.739	S	S	*	*			cis	-144.4	170.4	25.6	-73.6	-70.8	0	0	0	111.7	L357	N355-L357 HydrophobicContact CB-CD1 4.47Å
356	G	28.5	Very low	30.6	Very low	61 Å²	61	120.2 Å²	120.2	63%	0.629	73%	0.732	S	S	*	*			cis	-161.5	159.4	4.1	0	0	0	0	0	112.4
357	L	32	Very low	30.6	Very low	130 Å²	130	122.1 Å²	122.1	68%	0.681	74%	0.738	S	S	*	*				79.9	128.9	97.5	-86.8	90.5	0	0	0	115	N355	N355-L357 HydrophobicContact CB-CD1 4.47Å
358	E	31.6	Very low	30.5	Very low	156 Å²	156	114.3 Å²	114.3	73%	0.729	73%	0.732	S	S	*	*			cis	-165.4	152.4	-8.7	-132.9	170.8	-149.5	0	0	113.7
359	E	35.4	Very low	30.5	Very low	140 Å²	140	119 Å²	119	65%	0.654	74%	0.739	S	S	*	*			trans	56.6	158.8	143.8	-78.2	-90.2	95.1	0	0	123.6	S361	E359-S361 PolarHBondContact OE1-OG 3.05Å
360	P	38.8	Very low	30.2	Very low	101 Å²	101	121.4 Å²	121.4	66%	0.656	73%	0.731	S	S	*	*			cis	-112.7	156.2	-30.9	11.8	11.2	0	0	0	111.4
361	S	26.8	Very low	30.1	Very low	91 Å²	91	121.3 Å²	121.3	64%	0.636	73%	0.726	S	S	*	*				67.6	136.6	55.8	-42	0	0	0	0	111.8	E359	E359-S361 PolarHBondContact OE1-OG 3.05Å
362	T	27.1	Very low	29.9	Very low	136 Å²	136	122.7 Å²	122.7	83%	0.834	73%	0.729	S	S	*	*			cis	-155.1	168.4	22.3	-39.4	0	0	0	0	112
363	L	29.5	Very low	29.6	Very low	154 Å²	154	124.6 Å²	124.6	81%	0.806	73%	0.73	S	S	*	*			trans	-95.9	-177.5	173.3	-76.7	96.9	0	0	0	113.6
364	V	27	Very low	29.6	Very low	138 Å²	138	125.4 Å²	125.4	84%	0.836	73%	0.73	S	S	*	*			trans	77.8	136.1	160.7	-142.8	0	0	0	0	113.1
365	S	25.8	Very low	29.7	Very low	101 Å²	101	127 Å²	127	71%	0.706	74%	0.736	S	S	*	*			cis	-162.3	172.1	35.1	-162	0	0	0	0	114.8
366	S	26.4	Very low	29.4	Very low	88 Å²	88	123.5 Å²	123.5	62%	0.615	74%	0.735	S	S	*	*			trans	74	129.1	146.8	-96.7	0	0	0	0	122.8
367	D	28.1	Very low	29.5	Very low	156 Å²	156	128.6 Å²	128.6	83%	0.834	74%	0.742	S	S	*	*			trans	60.4	159.2	138.7	-61.1	-64.2	0	0	0	121.6
368	G	27	Very low	29.3	Very low	77 Å²	77	130.5 Å²	130.5	79%	0.794	75%	0.748	S	S	*	*			trans	130.6	112	154.8	0	0	0	0	0	116.6
369	H	30.2	Very low	29.1	Very low	185 Å²	185	126.1 Å²	126.1	86%	0.856	74%	0.744	S	S	*	*			trans	-69.9	135.7	167.9	-88.3	-54.2	0	0	0	113
370	K	27.6	Very low	28.7	Very low	148 Å²	148	128.5 Å²	128.5	64%	0.643	76%	0.755	S	S	*	*				61.4	127.7	119.8	-150	179.4	-172.4	-79.1	0	120
371	E	27.9	Very low	29	Very low	139 Å²	139	129.1 Å²	129.1	65%	0.65	76%	0.76	S	S	*	*			trans	79.5	125.7	151.5	-82.1	156	-176	0	0	122.4
372	D	26.6	Very low	29.1	Very low	142 Å²	142	132.5 Å²	132.5	76%	0.759	77%	0.77	S	S	*	*			trans	83.5	139.5	131.9	-71.4	7	0	0	0	126
373	C	25.7	Very low	29.1	Very low	113 Å²	113	131.2 Å²	131.2	76%	0.764	77%	0.766	S	S	*	*			trans	58.1	104.7	143.3	-66.1	0	0	0	0	122.6
374	D	32.5	Very low	29.9	Very low	153 Å²	153	129.8 Å²	129.8	82%	0.818	77%	0.766	S	S	*	*				46.6	151.7	106.1	-163.6	39.1	0	0	0	122.9
375	S	36.8	Very low	29.8	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	77%	0.766	S	S	*	*			trans	100.3	148.7	151.8	82.1	0	0	0	0	120.7
376	G	26.4	Very low	29.9	Very low	73 Å²	73	131.1 Å²	131.1	75%	0.753	77%	0.77	S	S	*	*			trans	123.1	120.6	-179.8	0	0	0	0	0	112.1
377	E	29.4	Very low	29.8	Very low	169 Å²	169	133 Å²	133	79%	0.79	78%	0.777	S	S	*	*			cis	-134.4	-170.2	-5.9	-59.3	-171	65.8	0	0	108.7
378	Q	28.8	Very low	29.6	Very low	169 Å²	169	131.6 Å²	131.6	79%	0.79	78%	0.775	S	S	*	*			cis	-155.7	-173.4	4.7	-152.5	168	75.1	0	0	108.2
379	G	27.6	Very low	29.7	Very low	64 Å²	64	136.3 Å²	136.3	66%	0.66	78%	0.776	S	S	*	*			trans	179.8	-172.3	170.4	0	0	0	0	0	119.4
380	Q	26.2	Very low	30.3	Very low	190 Å²	190	132.9 Å²	132.9	89%	0.888	77%	0.77	S	S	*	*			trans	68.8	164.1	173	-65.5	-166.8	-4.6	0	0	117.9
381	P	45.9	Very low	30.5	Very low	115 Å²	115	132.9 Å²	132.9	75%	0.747	78%	0.776	S	S	*	*			cis	-124.5	-171	-5.7	19.8	5.8	0	0	0	115.3
382	L	29.5	Very low	30.5	Very low	162 Å²	162	132.1 Å²	132.1	85%	0.848	78%	0.781	S	S	*	*			trans	-80.5	165.1	179	-47	96.1	0	0	0	112.2
383	S	25.3	Very low	30.8	Very low	109 Å²	109	130.4 Å²	130.4	76%	0.762	78%	0.776	S	S	*	*			cis	-159	-139.6	41.1	-63.7	0	0	0	0	112.7
384	P	46.4	Very low	31.3	Very low	124 Å²	124	132.1 Å²	132.1	81%	0.805	77%	0.772	S	S	*	*				-109.8	-167.3	-103.7	40.5	-24	0	0	0	116.3
385	D	25.2	Very low	31.2	Very low	153 Å²	153	132.5 Å²	132.5	82%	0.818	77%	0.769	S	S	*	*			trans	-57.2	144.8	-173	-57.9	-77.5	0	0	0	117.9
386	S	27.6	Very low	31.1	Very low	114 Å²	114	130.6 Å²	130.6	80%	0.797	76%	0.76	S	S	*	*				159.8	145.5	123.8	-76.8	0	0	0	0	117.7
387	V	24.9	Very low	31.1	Very low	126 Å²	126	135.1 Å²	135.1	76%	0.764	77%	0.767	S	S	*	*			trans	79	98.9	138	166	0	0	0	0	122.3
388	T	24.1	Very low	31.1	Very low	128 Å²	128	132.4 Å²	132.4	79%	0.785	77%	0.767	S	S	*	*				89.5	145	117.3	-55	0	0	0	0	123.8
389	Q	29.1	Very low	32.5	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	77%	0.765	S	S	*	*			trans	-76.6	177.7	177.7	-49.2	172.4	-42.3	0	0	113.6
390	P	43.6	Very low	32.7	Very low	114 Å²	114	131.2 Å²	131.2	74%	0.74	77%	0.77	S	S	*	*				-134.6	-175	78	43	-30.6	0	0	0	111.2
391	L	31	Very low	33.1	Very low	148 Å²	148	128.9 Å²	128.9	78%	0.775	77%	0.768	S	S	*	*			cis	-146.6	-172.1	1.8	-152.1	27.1	0	0	0	105.9
392	V	27.2	Very low	32.4	Very low	122 Å²	122	127.9 Å²	127.9	74%	0.739	77%	0.77	S	S	*	*			cis	-143.7	177.8	18.8	-170	0	0	0	0	109.5
393	T	33.7	Very low	32.6	Very low	107 Å²	107	125.1 Å²	125.1	66%	0.656	77%	0.77	S	S	*	*			trans	-77.2	157.1	179.8	40.3	0	0	0	0	114.5
394	E	35.4	Very low	32.9	Very low	148 Å²	148	124.3 Å²	124.3	69%	0.692	77%	0.771	S	S	*	*			cis	-158	-172.9	9.3	-124	163.5	82.5	0	0	109.3
395	Q	32.2	Very low	32.8	Very low	161 Å²	161	124.7 Å²	124.7	75%	0.752	77%	0.773	S	S	*	*			cis	-158.8	167.8	13.1	-148.6	171.8	71	0	0	113.1
396	A	33.3	Very low	33.1	Very low	71 Å²	71	123.9 Å²	123.9	59%	0.587	77%	0.774	S	S	*	*			trans	58	108.9	147.4	0	0	0	0	0	124
397	N	27.9	Very low	33.3	Very low	169 Å²	169	123.6 Å²	123.6	90%	0.904	78%	0.778	S	S	*	*			trans	81.9	155.9	138.8	-61	-4.1	0	0	0	121.9
398	S	28.8	Very low	33.6	Very low	112 Å²	112	126 Å²	126	78%	0.783	78%	0.781	S	S	*	*			trans	-163.3	-168.3	-159.6	67	0	0	0	0	110.8
399	P	58.2	Low	34	Very low	115 Å²	115	127.5 Å²	127.5	75%	0.747	78%	0.783	S	S	*	*			cis	-135.3	178.1	-14.3	41.3	-25.2	0	0	0	115.3
400	A	31.1	Very low	34.5	Very low	93 Å²	93	124 Å²	124	77%	0.769	78%	0.776	S	S	*	*				160.4	110	128.6	0	0	0	0	0	118.5
401	V	34.1	Very low	33.9	Very low	140 Å²	140	128.1 Å²	128.1	85%	0.848	78%	0.782	S	S	*	*			trans	52.5	105.4	136.8	-167.3	0	0	0	0	124.2
402	A	32.1	Very low	33.8	Very low	95 Å²	95	126.3 Å²	126.3	79%	0.785	78%	0.782	S	S	*	*				37	156.3	127.8	0	0	0	0	0	124.7
403	A	33.1	Very low	34.2	Very low	103 Å²	103	132.3 Å²	132.3	85%	0.851	79%	0.791	S	S	*	*			cis	-171.8	169.6	-20.5	0	0	0	0	0	111.5
404	A	32.2	Very low	34.2	Very low	93 Å²	93	131.4 Å²	131.4	77%	0.769	79%	0.794	S	S	*	*			trans	-106.6	-178.2	-176.7	0	0	0	0	0	114.6
405	P	44.1	Very low	34.1	Very low	131 Å²	131	129.9 Å²	129.9	85%	0.851	80%	0.8	S	S	*	*				-155.8	-157.5	93.8	42.3	-20.9	0	0	0	117.2
406	T	32.2	Very low	34.3	Very low	137 Å²	137	129.5 Å²	129.5	84%	0.84	80%	0.802	S	S	*	*			trans	-138.4	155.1	-160.8	51.9	0	0	0	0	115.9
407	A	31.2	Very low	34.4	Very low	107 Å²	107	135.3 Å²	135.3	88%	0.884	82%	0.815	S	S	*	*			trans	-175	-177.9	156.1	0	0	0	0	0	115.5
408	H	32.1	Very low	34.8	Very low	177 Å²	177	135.7 Å²	135.7	82%	0.819	81%	0.811	S	S	*	*			trans	-121.8	156	-163.8	-78.3	-99.7	0	0	0	118.5
409	L	31.1	Very low	35	Very low	159 Å²	159	136.8 Å²	136.8	83%	0.832	81%	0.808	S	S	*	*			trans	64.7	170.2	157.7	-100	75	0	0	0	117.9
410	P	39.6	Very low	34.1	Very low	103 Å²	103	136.2 Å²	136.2	67%	0.669	81%	0.807	S	S	*	*			cis	-142.5	-175.8	15	45.9	-26.7	0	0	0	118.9
411	K	30.9	Very low	34.1	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	81%	0.811	S	S	*	*			trans	32.5	139.5	142	-69.3	176.1	179.5	178.5	0	125.2
412	S	30.2	Very low	34.3	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	80%	0.803	S	S	*	*			trans	79	146.6	143.5	-154.6	0	0	0	0	120.6
413	W	36	Very low	34	Very low	248 Å²	248	143 Å²	143	94%	0.939	81%	0.808	S	S	*	*			trans	-124.8	-0.3	-170.3	-100	97.6	0	0	0	115.7
414	A	32.4	Very low	34.3	Very low	87 Å²	87	144 Å²	144	72%	0.719	81%	0.805	S	S	*	*			trans	-103.6	66.2	-168.9	0	0	0	0	0	114.2
415	S	33.4	Very low	34.2	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	81%	0.807	S	S	*	*			trans	-175	79.6	164.5	-83.5	0	0	0	0	113.1
416	L	35.8	Very low	33.5	Very low	153 Å²	153	142.2 Å²	142.2	80%	0.801	80%	0.802	S	S	*	*			trans	-146.2	11.9	172.7	-99.9	-172.4	0	0	0	117.4
417	F	35.9	Very low	33.8	Very low	193 Å²	193	141.9 Å²	141.9	85%	0.846	80%	0.803	S	S	*	*			trans	-130.8	100.9	175.2	-66.4	-71.3	0	0	0	112.3
418	H	37.2	Very low	33.7	Very low	178 Å²	178	145.9 Å²	145.9	82%	0.824	80%	0.803	S	S	*	*			trans	-173	108.2	140.3	-90	-46.5	0	0	0	113.4
419	N	31.7	Very low	33.5	Very low	135 Å²	135	142.7 Å²	142.7	72%	0.722	81%	0.807	S	S	*	*			trans	65.5	75.6	132.7	-54.5	-0	0	0	0	123.1
420	S	39	Very low	33.3	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	80%	0.803	S	S	*	*				39	130.4	116.8	65.7	0	0	0	0	124.4
421	K	31.1	Very low	32.8	Very low	199 Å²	199	144.9 Å²	144.9	87%	0.865	81%	0.811	S	S	*	*			trans	154.1	168.3	134.9	-89.7	178.8	177.6	178.5	0	112.5
422	P	39.7	Very low	32.5	Very low	102 Å²	102	142 Å²	142	66%	0.662	80%	0.801	S	S	*	*			cis	-143.4	149.7	-47.5	39.8	-22	0	0	0	117.2
423	L	25.2	Very low	32.4	Very low	170 Å²	170	143.8 Å²	143.8	89%	0.89	81%	0.807	S	S	*	*			trans	57	177.9	151.2	-97	77.4	0	0	0	119.8
424	P	39.7	Very low	32.1	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	80%	0.796	S	S	*	*			cis	-124.1	166	-7.6	39.9	-25.7	0	0	0	116
425	G	29.3	Very low	31.9	Very low	79 Å²	79	143.2 Å²	143.2	81%	0.814	80%	0.802	S	S	*	*			trans	162.3	124.2	165	0	0	0	0	0	113.5
426	S	29.5	Very low	31.6	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	80%	0.795	S	S	*	*			trans	-149.1	162.6	179.8	72.4	0	0	0	0	111.1
427	P	39.8	Very low	31.2	Very low	131 Å²	131	143 Å²	143	85%	0.851	80%	0.797	S	S	*	*				-134.6	-175.2	80.8	28.9	-9.2	0	0	0	114.7
428	Q	29.1	Very low	30.7	Very low	191 Å²	191	142.8 Å²	142.8	89%	0.893	80%	0.798	S	S	*	*			trans	-106.2	160.3	-161.5	-58.7	167.7	-63.2	0	0	115.4
429	A	26.2	Very low	30.3	Very low	109 Å²	109	138.9 Å²	138.9	90%	0.901	80%	0.797	S	S	*	*			trans	-141.2	154.7	148.1	0	0	0	0	0	108.9
430	F	28.4	Very low	30.1	Very low	168 Å²	168	137.7 Å²	137.7	74%	0.737	81%	0.805	S	S	*	*			trans	-138.3	136.3	-166.7	167	-84.9	0	0	0	111.9	E432	F430-E432 HydrophobicContact CE1-CB 3.92Å; F430-E432 HydrophobicContact CZ-CB 3.82Å; F430-E432 HydrophobicContact CZ-CG 4.36Å
431	V	27.5	Very low	29.6	Very low	140 Å²	140	138.1 Å²	138.1	85%	0.848	81%	0.809	S	S	*	*			trans	-141	137.4	151.3	-175.9	0	0	0	0	109.8
432	E	25.3	Very low	30	Very low	138 Å²	138	133.7 Å²	133.7	65%	0.645	80%	0.8	S	S	*	*			trans	-71.1	156.4	-176.3	-169.1	177.9	170	0	0	114.6	F430	F430-E432 HydrophobicContact CE1-CB 3.92Å; F430-E432 HydrophobicContact CZ-CB 3.82Å; F430-E432 HydrophobicContact CZ-CG 4.36Å
433	V	28.7	Very low	29.4	Very low	149 Å²	149	134.2 Å²	134.2	90%	0.903	81%	0.806	S	S	*	*			trans	-114.5	128.6	163.9	177.2	0	0	0	0	108.6
434	K	30.1	Very low	30.2	Very low	163 Å²	163	131.9 Å²	131.9	71%	0.709	80%	0.801	S	S	*	*			trans	-106.4	127.5	-158.4	-176.9	175.9	179.8	-179.9	0	113.4	I436	K434-I436 HydrophobicContact CD-CD1 4.46Å; K434-I436 HydrophobicContact CD-CG1 4.44Å; K434-I436 HydrophobicContact CG-CG1 4.27Å
435	N	28.2	Very low	29.6	Very low	160 Å²	160	130.1 Å²	130.1	86%	0.856	80%	0.797	S	S	*	*			trans	-76.4	144.1	164.1	-102.8	-33.5	0	0	0	110.9
436	I	26.2	Very low	29.7	Very low	127 Å²	127	134.7 Å²	134.7	65%	0.651	80%	0.799	S	S	*	*			trans	-137.5	136.8	167.2	-62.2	-176.2	0	0	0	109.4	K434	K434-I436 HydrophobicContact CD-CD1 4.46Å; K434-I436 HydrophobicContact CD-CG1 4.44Å; K434-I436 HydrophobicContact CG-CG1 4.27Å
437	V	27.7	Very low	30	Very low	139 Å²	139	134.5 Å²	134.5	84%	0.842	80%	0.795	S	S	*	*			trans	-129.1	139.9	169.5	171.4	0	0	0	0	106.9
438	E	25.1	Very low	29.5	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	80%	0.799	S	S	*	*			trans	-149	147	174.7	-166.2	160.4	-140.1	0	0	110.2
439	A	27.9	Very low	29.7	Very low	97 Å²	97	137.3 Å²	137.3	80%	0.802	80%	0.797	S	S	*	*			trans	-159.6	137.2	-171.2	0	0	0	0	0	114.3
440	A	28.2	Very low	30.2	Very low	109 Å²	109	138 Å²	138	90%	0.901	79%	0.792	S	S	*	*			trans	-164.7	167.1	159	0	0	0	0	0	111.4
441	S	29.6	Very low	30.4	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	80%	0.798	S	S	*	*			trans	-124	-172.4	-168.6	64.4	0	0	0	0	111.2
442	P	39.1	Very low	30.7	Very low	105 Å²	105	141.9 Å²	141.9	68%	0.682	80%	0.8	S	S	*	*			cis	-146.8	163.7	13.8	44	-23.9	0	0	0	120.7
443	S	26.7	Very low	31.2	Very low	114 Å²	114	141.9 Å²	141.9	80%	0.797	81%	0.81	S	S	*	*			trans	48.4	154.6	138.4	-72.1	0	0	0	0	123.7
444	P	41.3	Very low	31.5	Very low	120 Å²	120	137.5 Å²	137.5	78%	0.779	79%	0.794	S	S	*	*			cis	-141.7	149.1	27	39.4	-19.1	0	0	0	121.1
445	A	28.3	Very low	31.8	Very low	86 Å²	86	139.1 Å²	139.1	71%	0.711	80%	0.804	S	S	*	*			trans	70.4	109.5	134.7	0	0	0	0	0	125
446	M	30.5	Very low	32.6	Very low	175 Å²	175	138.3 Å²	138.3	86%	0.862	80%	0.799	S	S	*	*			trans	68.4	150.9	131.4	-71.7	-176.2	64.8	0	0	122
447	P	36.9	Very low	33.7	Very low	103 Å²	103	138.8 Å²	138.8	67%	0.669	80%	0.796	S	S	*	*			cis	-141.7	147.3	-46.3	38.1	-21	0	0	0	114.2
448	E	29.3	Very low	35.1	Very low	200 Å²	200	140.7 Å²	140.7	94%	0.935	80%	0.795	S	S	*	*			trans	-128.7	150.9	160.2	-73.9	-170.1	137.8	0	0	110.7
449	Q	32	Very low	37	Very low	182 Å²	182	133.7 Å²	133.7	85%	0.85	77%	0.774	S	S	*	*			trans	-86.8	150.9	-179.6	-74.2	-166.5	-3.9	0	0	111.7	E451	Q449-E451 PolarHBondContact O-N 3.46Å
450	P	36.3	Very low	39.4	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	76%	0.758	S	S	*	*			trans	-72.5	114.7	170.1	30.1	-32.6	0	0	0	110.3	K452	P450-K452 PolarHBondContact O-N 2.83Å
451	E	34.3	Very low	42.3	Very low	185 Å²	185	128.2 Å²	128.2	86%	0.864	72%	0.72	S	S	*	*			trans	-61.1	126.2	165.5	-73.2	-163.1	133.1	0	0	109.9	Q449 V453	Q449-E451 PolarHBondContact O-N 3.46Å; E451-V453 PolarHBondContact O-N 3.34Å
452	K	32.4	Very low	45.1	Very low	205 Å²	205	128.5 Å²	128.5	89%	0.891	71%	0.709	S	S	*	*			trans	-78.7	89.4	179.5	-172.4	-174.1	-179.7	-172	0	109.3	P450 G454	P450-K452 PolarHBondContact O-N 2.83Å; K452-G454 PolarHBondContact O-N 2.95Å
453	V	37.4	Very low	47.5	Very low	139 Å²	139	124.4 Å²	124.4	84%	0.842	68%	0.682	S	S	*	*			trans	-50.4	115.1	169.9	179.5	0	0	0	0	108.7	E451	E451-V453 PolarHBondContact O-N 3.34Å
454	G	34	Very low	50.4	Low	56 Å²	56	123.1 Å²	123.1	58%	0.577	67%	0.673	S	S	*	*			trans	-74.9	143.8	-176.8	0	0	0	0	0	112	K452 I456	K452-G454 PolarHBondContact O-N 2.95Å; G454-I456 PolarHBondContact O-N 3.09Å
455	E	36.7	Very low	52.7	Low	198 Å²	198	122.3 Å²	122.3	93%	0.925	66%	0.659	S	S	*	*			trans	-63.7	119.8	167.5	-68.7	175	114.8	0	0	109.5	K457	E455-K457 PolarHBondContact O-N 3.21Å; E455-K457 VanDerWaalsContact O-N 3.17Å
456	I	45.3	Very low	55.7	Low	143 Å²	143	118.5 Å²	118.5	73%	0.733	63%	0.626	S	S	*	*			trans	-72.4	107.2	171.3	-58.7	174.1	0	0	0	107.1	G454 E458	G454-I456 PolarHBondContact O-N 3.09Å; I456-E458 PolarHBondContact O-N 3.31Å
457	K	48.9	Very low	58.5	Low	137 Å²	137	114.3 Å²	114.3	60%	0.596	61%	0.612	S	S	*	*			trans	-62.5	104.8	166.6	-70.5	-177.7	-174.2	174.6	0	107.9	E455 G459 V461 E465	E455-K457 PolarHBondContact O-N 3.21Å; E455-K457 VanDerWaalsContact O-N 3.17Å; K457-G459 PolarHBondContact O-N 2.54Å; K457-V461 HydrophobicContact CD-CG1 4.35Å; K457-E465 IonicContact NZ-OE1 3.59Å; K457-E465 PolarHBondContact NZ-OE1 3.38Å; K457-E465 IonicContact NZ-OE2 2.73Å; K457-E465 PolarHBondContact NZ-OE2 3.06Å
458	E	56.3	Low	61	Low	178 Å²	178	111.7 Å²	111.7	83%	0.832	59%	0.592	S	S	*	*			trans	-72.3	29.7	176.2	-63	-168.4	122.9	0	0	114	I456	I456-E458 PolarHBondContact O-N 3.31Å
459	G	66	Low	64	Low	40 Å²	40	102.2 Å²	102.2	41%	0.412	55%	0.547	S	S	.	.	S	Bend	trans	-137.1	162.4	-177.9	0	0	0	0	0	112.2	K457 V461	K457-G459 PolarHBondContact O-N 2.54Å; G459-V461 PolarHBondContact O-N 2.88Å
460	P	78.7	Confident	66.9	Low	73 Å²	73	97.1 Å²	97.1	47%	0.474	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-57.6	136.6	176.3	-21.5	33.5	0	0	0	111	T533 P536	P460-T533 WeakPolarHBondContact CA-O 2.77Å; P460-P536 HydrophobicContact CB-CG 4.33Å; P460-P536 HydrophobicContact CG-CG 4.05Å
461	V	87.8	Confident	69.6	Low	18 Å²	18	96 Å²	96	11%	0.109	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-91.4	161.8	174.9	-63.9	0	0	0	0	111	K457 G459 E465 D466 C532 T533 S534	K457-V461 HydrophobicContact CD-CG1 4.35Å; G459-V461 PolarHBondContact O-N 2.88Å; V461-E465 HydrophobicContact CB-CB 4.02Å; V461-E465 HydrophobicContact CG2-CB 4.27Å; V461-D466 HydrophobicContact CG2-CB 4.13Å; V461-C532 HydrophobicContact CB-CB 4.45Å; V461-C532 HydrophobicContact CG1-CB 3.77Å; V461-C532 HydrophobicContact CG2-CB 3.83Å; V461-T533 PolarHBondContact N-O 2.9Å; V461-S534 WeakPolarHBondContact O-CA 3.41Å; V461-S534 WeakPolarHBondContact O-CB 3.25Å
462	H	89.6	Confident	72.5	Confident	119 Å²	119	87.4 Å²	87.4	55%	0.551	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-63.6	149.1	173.3	-172.7	-109.4	0	0	0	110.5	S464 E465	H462-S464 PolarHBondContact CE1-OG 3.35Å; H462-S464 PolarHBondContact ND1-N 2.77Å; H462-S464 PolarHBondContact ND1-OG 2.8Å; H462-S464 PolarHBondContact O-N 2.79Å; H462-S464 VanDerWaalsContact O-N 3.08Å; H462-E465 HydrophobicContact CB-CG 4.24Å; H462-E465 WeakPolarHBondContact O-CA 3.38Å; H462-E465 WeakPolarHBondContact O-CB 3.29Å; H462-E465 PolarHBondContact O-N 2.66Å
463	V	88.9	Confident	75.4	Confident	19 Å²	19	77.6 Å²	77.6	12%	0.115	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.9	-175.1	76	0	0	0	0	113.2	A469 A618 L619 L622	V463-A469 HydrophobicContact CG2-CB 3.85Å; V463-A469 VanDerWaalsContact O-CB 3.3Å; V463-A469 WeakPolarHBondContact O-CB 3.48Å; V463-A618 HydrophobicContact CB-CB 4.49Å; V463-A618 HydrophobicContact CG2-CB 4.39Å; V463-L619 HydrophobicContact CG2-CD2 4.07Å; V463-L622 HydrophobicContact CG1-CD1 4.47Å; V463-L622 HydrophobicContact CG1-CD2 4.09Å; V463-L622 HydrophobicContact CG1-CG 4.19Å; V463-L622 HydrophobicContact CG2-CD1 3.87Å; V463-L622 HydrophobicContact CG2-CG 4.26Å
464	S	87.6	Confident	78.2	Confident	87 Å²	87	76.9 Å²	76.9	61%	0.608	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.6	172.4	-37.1	0	0	0	0	115.1	H462	H462-S464 PolarHBondContact CE1-OG 3.35Å; H462-S464 PolarHBondContact ND1-N 2.77Å; H462-S464 PolarHBondContact ND1-OG 2.8Å; H462-S464 PolarHBondContact O-N 2.79Å; H462-S464 VanDerWaalsContact O-N 3.08Å
465	E	89	Confident	81.1	Confident	104 Å²	104	76.1 Å²	76.1	49%	0.486	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.1	173.6	-69.3	-172.1	170.9	0	0	112.1	K457 V461 H462	K457-E465 IonicContact NZ-OE1 3.59Å; K457-E465 PolarHBondContact NZ-OE1 3.38Å; K457-E465 IonicContact NZ-OE2 2.73Å; K457-E465 PolarHBondContact NZ-OE2 3.06Å; V461-E465 HydrophobicContact CB-CB 4.02Å; V461-E465 HydrophobicContact CG2-CB 4.27Å; H462-E465 HydrophobicContact CB-CG 4.24Å; H462-E465 WeakPolarHBondContact O-CA 3.38Å; H462-E465 WeakPolarHBondContact O-CB 3.29Å; H462-E465 PolarHBondContact O-N 2.66Å
466	D	91.3	Very high	83.8	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.027	36%	0.357	C	S	.	.			trans	-97.5	115.9	-173.9	-174.8	-32.6	0	0	0	111.8	V461 M468 A469 R530 T533 S534	V461-D466 HydrophobicContact CG2-CB 4.13Å; D466-M468 PolarHBondContact O-N 3.02Å; D466-M468 WeakPolarHBondContact OD1-CA 3.28Å; D466-M468 WeakPolarHBondContact OD1-CB 3.2Å; D466-M468 PolarHBondContact OD1-N 3.4Å; D466-A469 HydrophobicContact CB-CB 3.89Å; D466-A469 PolarHBondContact O-N 3.28Å; D466-A469 PolarHBondContact OD1-N 3.48Å; D466-R530 IonicContact OD1-NE 3.28Å; D466-R530 IonicContact OD1-NH2 3.87Å; D466-R530 IonicContact OD2-CZ 3.57Å; D466-R530 IonicContact OD2-NE 3.55Å; D466-R530 PolarHBondContact OD2-NE 2.91Å; D466-R530 IonicContact OD2-NH2 2.76Å; D466-R530 PolarHBondContact OD2-NH2 2.9Å; D466-T533 WeakPolarHBondContact OD2-CA 3.45Å; D466-S534 WeakPolarHBondContact CB-OG 3.45Å; D466-S534 PolarHBondContact OD2-N 2.84Å; D466-S534 PolarHBondContact OD2-OG 3.17Å
467	P	89.6	Confident	86.1	Confident	87 Å²	87	64.2 Å²	64.2	57%	0.565	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.5	-176.1	29.5	-35.8	0	0	0	113.7
468	M	89.9	Confident	88.2	Confident	49 Å²	49	63 Å²	63	24%	0.241	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-16.7	178	-64.2	-66.6	93.1	0	0	112.9	D466 K471 L472 R530	D466-M468 PolarHBondContact O-N 3.02Å; D466-M468 WeakPolarHBondContact OD1-CA 3.28Å; D466-M468 WeakPolarHBondContact OD1-CB 3.2Å; D466-M468 PolarHBondContact OD1-N 3.4Å; M468-K471 PolarHBondContact O-N 3.03Å; M468-L472 HydrophobicContact CB-CD1 4.26Å; M468-L472 WeakPolarHBondContact O-CG 3.36Å; M468-L472 PolarHBondContact O-N 3.06Å; M468-R530 HydrophobicContact CG-CG 4.33Å
469	A	93.1	Very high	90	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.5	-43.8	-176.3	0	0	0	0	0	114.5	V463 D466 K471 L472 A473 L619 L622	V463-A469 HydrophobicContact CG2-CB 3.85Å; V463-A469 VanDerWaalsContact O-CB 3.3Å; V463-A469 WeakPolarHBondContact O-CB 3.48Å; D466-A469 HydrophobicContact CB-CB 3.89Å; D466-A469 PolarHBondContact O-N 3.28Å; D466-A469 PolarHBondContact OD1-N 3.48Å; A469-K471 VanDerWaalsContact C-N 3.3Å; A469-K471 PolarHBondContact O-N 3.21Å; A469-L472 PolarHBondContact O-N 2.84Å; A469-L472 VanDerWaalsContact O-N 3.15Å; A469-A473 WeakPolarHBondContact O-CB 3.2Å; A469-A473 PolarHBondContact O-N 2.96Å; A469-L619 HydrophobicContact CB-CD2 3.75Å; A469-L619 WeakPolarHBondContact O-CD2 2.96Å; A469-L622 HydrophobicContact CB-CD1 3.77Å
470	P	92.8	Very high	91.4	Very high	75 Å²	75	62.8 Å²	62.8	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-37.9	178	-25	35.3	0	0	0	113.4	A473 E474	P470-A473 PolarHBondContact O-N 3.24Å; P470-E474 PolarHBondContact O-N 3.26Å; P470-E474 VanDerWaalsContact O-N 3.11Å
471	K	92.7	Very high	92.2	Very high	99 Å²	99	61.4 Å²	61.4	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-71.3	-36.4	176.7	-178.3	-173.1	173.8	-165.1	0	111.9	M468 A469 I475	M468-K471 PolarHBondContact O-N 3.03Å; A469-K471 VanDerWaalsContact C-N 3.3Å; A469-K471 PolarHBondContact O-N 3.21Å; K471-I475 HydrophobicContact CG-CD1 4.33Å; K471-I475 WeakPolarHBondContact O-CD1 3.45Å; K471-I475 VanDerWaalsContact O-CG1 3.29Å; K471-I475 WeakPolarHBondContact O-CG1 3.49Å; K471-I475 PolarHBondContact O-N 3.47Å; K471-I475 VanDerWaalsContact O-N 3.17Å
472	L	94.1	Very high	92.6	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-69.1	-37.2	174.4	-69.3	169.1	0	0	0	111.4	M468 A469 I475 I476 I522 R530 L619	M468-L472 HydrophobicContact CB-CD1 4.26Å; M468-L472 WeakPolarHBondContact O-CG 3.36Å; M468-L472 PolarHBondContact O-N 3.06Å; A469-L472 PolarHBondContact O-N 2.84Å; A469-L472 VanDerWaalsContact O-N 3.15Å; L472-I475 PolarHBondContact O-N 3.19Å; L472-I476 WeakPolarHBondContact O-CB 3.3Å; L472-I476 VanDerWaalsContact O-CG1 3.27Å; L472-I476 WeakPolarHBondContact O-CG1 3.31Å; L472-I476 PolarHBondContact O-N 3.28Å; L472-I522 HydrophobicContact CD2-CG2 3.69Å; L472-R530 VanDerWaalsContact CD1-CZ 3.46Å; L472-R530 VanDerWaalsContact CD1-NH1 3.31Å; L472-R530 VanDerWaalsContact CD1-NH2 3.27Å; L472-L619 HydrophobicContact CB-CD1 3.78Å; L472-L619 HydrophobicContact CB-CD2 3.9Å
473	A	94.6	Very high	92.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-47.1	173.1	0	0	0	0	0	111.8	A469 P470 I475 I476 E477 L619 I623	A469-A473 WeakPolarHBondContact O-CB 3.2Å; A469-A473 PolarHBondContact O-N 2.96Å; P470-A473 PolarHBondContact O-N 3.24Å; A473-I475 VanDerWaalsContact C-N 3.29Å; A473-I475 PolarHBondContact O-N 2.71Å; A473-I476 PolarHBondContact O-N 2.76Å; A473-E477 PolarHBondContact O-N 3.28Å; A473-L619 HydrophobicContact CB-CB 4.06Å; A473-L619 WeakPolarHBondContact CB-O 3.47Å; A473-I623 HydrophobicContact CB-CB 4.47Å; A473-I623 HydrophobicContact CB-CD1 3.97Å; A473-I623 HydrophobicContact CB-CG1 4.05Å; A473-I623 HydrophobicContact CB-CG2 3.63Å; A473-I623 WeakPolarHBondContact O-CD1 3.44Å
474	E	94.7	Very high	93.1	Very high	124 Å²	124	66.7 Å²	66.7	58%	0.579	34%	0.339	S	S	*	.	H	α-helix	trans	-56.1	-42.5	173.9	-173.6	-173.8	-174	0	0	112.1	P470 N478	P470-E474 PolarHBondContact O-N 3.26Å; P470-E474 VanDerWaalsContact O-N 3.11Å; E474-N478 WeakPolarHBondContact O-CB 3.38Å; E474-N478 PolarHBondContact O-N 2.93Å; E474-N478 PolarHBondContact O-ND2 3.27Å
475	I	94.7	Very high	93.3	Very high	40 Å²	40	65 Å²	65	21%	0.205	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-44.5	176.9	-68.1	163.4	0	0	0	111.3	K471 L472 A473 N478 V479 I522 P523	K471-I475 HydrophobicContact CG-CD1 4.33Å; K471-I475 WeakPolarHBondContact O-CD1 3.45Å; K471-I475 VanDerWaalsContact O-CG1 3.29Å; K471-I475 WeakPolarHBondContact O-CG1 3.49Å; K471-I475 PolarHBondContact O-N 3.47Å; K471-I475 VanDerWaalsContact O-N 3.17Å; L472-I475 PolarHBondContact O-N 3.19Å; A473-I475 VanDerWaalsContact C-N 3.29Å; A473-I475 PolarHBondContact O-N 2.71Å; I475-N478 PolarHBondContact O-N 3.2Å; I475-V479 WeakPolarHBondContact O-CB 3.32Å; I475-V479 PolarHBondContact O-N 3.3Å; I475-I522 HydrophobicContact CG2-CG1 4.26Å; I475-P523 HydrophobicContact CD1-CG 4.15Å
476	I	94.8	Very high	93.4	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-68.7	-30.6	-178.8	-72.2	-61	0	0	0	112.7	L472 A473 V479 L518 I522 M616 L619 K620 P679	L472-I476 WeakPolarHBondContact O-CB 3.3Å; L472-I476 VanDerWaalsContact O-CG1 3.27Å; L472-I476 WeakPolarHBondContact O-CG1 3.31Å; L472-I476 PolarHBondContact O-N 3.28Å; A473-I476 PolarHBondContact O-N 2.76Å; I476-V479 WeakPolarHBondContact O-CG1 3.49Å; I476-L518 HydrophobicContact CD1-CD1 4.45Å; I476-I522 HydrophobicContact CD1-CD1 3.91Å; I476-M616 HydrophobicContact CD1-CE 4.01Å; I476-M616 HydrophobicContact CD1-CG 3.91Å; I476-M616 HydrophobicContact CD1-SD 3.83Å; I476-M616 HydrophobicContact CG1-CG 4.32Å; I476-M616 HydrophobicContact CG2-CB 4.08Å; I476-M616 HydrophobicContact CG2-CG 4.22Å; I476-L619 HydrophobicContact CG1-CD1 3.93Å; I476-K620 HydrophobicContact CG2-CD 4.22Å; I476-K620 HydrophobicContact CG2-CG 3.91Å; I476-P679 HydrophobicContact CG2-CG 4.12Å
477	E	93.1	Very high	93.5	Very high	86 Å²	86	63.1 Å²	63.1	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-73.8	-40.9	173.1	-163.4	65.2	-121.1	0	0	112.2	A473 K620 I623	A473-E477 PolarHBondContact O-N 3.28Å; E477-K620 VanDerWaalsContact CD-CE 3.41Å; E477-K620 WeakPolarHBondContact OE1-CE 3.2Å; E477-K620 IonicContact OE1-NZ 3.59Å; E477-K620 PolarHBondContact OE1-NZ 2.95Å; E477-K620 VanDerWaalsContact OE1-NZ 3.16Å; E477-K620 WeakPolarHBondContact OE2-CE 3.44Å; E477-K620 IonicContact OE2-NZ 2.67Å; E477-I623 HydrophobicContact CB-CD1 3.65Å; E477-I623 HydrophobicContact CG-CD1 4.07Å
478	N	93.6	Very high	93.7	Very high	112 Å²	112	59.8 Å²	59.8	60%	0.599	30%	0.3	S	S	*	.	H	α-helix	trans	-91.2	-0.4	-173.5	-70.5	-81.2	0	0	0	114.2	E474 I475 K480	E474-N478 WeakPolarHBondContact O-CB 3.38Å; E474-N478 PolarHBondContact O-N 2.93Å; E474-N478 PolarHBondContact O-ND2 3.27Å; I475-N478 PolarHBondContact O-N 3.2Å; N478-K480 PolarHBondContact O-N 3.21Å
479	V	94.5	Very high	93.9	Very high	31 Å²	31	59.5 Å²	59.5	19%	0.188	30%	0.299	C	S	.	.			trans	-66.9	130.9	-176.7	71.2	0	0	0	0	111.6	I475 I476 L518 P679	I475-V479 WeakPolarHBondContact O-CB 3.32Å; I475-V479 PolarHBondContact O-N 3.3Å; I476-V479 WeakPolarHBondContact O-CG1 3.49Å; V479-L518 HydrophobicContact CB-CD1 4.5Å; V479-L518 HydrophobicContact CG1-CD1 4Å; V479-L518 HydrophobicContact CG2-CD1 3.94Å; V479-P679 HydrophobicContact CG1-CB 4.01Å; V479-P679 HydrophobicContact CG1-CG 3.47Å; V479-P679 VanDerWaalsContact CG1-CG 3.47Å
480	K	94.6	Very high	93.9	Very high	182 Å²	182	60 Å²	60	79%	0.791	30%	0.301	S	S	*	.			trans	-104.3	114.7	177	-64.5	178.7	-176.1	176.3	0	108.4	N478 I482	N478-K480 PolarHBondContact O-N 3.21Å; K480-I482 WeakPolarHBondContact O-CG1 3.44Å; K480-I482 PolarHBondContact O-N 3.02Å; K480-I482 VanDerWaalsContact O-N 3.14Å
481	L	95.7	Very high	94.1	Very high	45 Å²	45	58.1 Å²	58.1	24%	0.236	29%	0.285	C	S	.	.			trans	-64.1	113	-177.7	-66	-178.5	0	0	0	111.4	H483 P679 D682 I683	L481-H483 PolarHBondContact O-N 2.9Å; L481-P679 HydrophobicContact CD2-CB 4.36Å; L481-D682 HydrophobicContact CD1-CB 3.63Å; L481-I683 HydrophobicContact CD1-CG1 3.69Å; L481-I683 HydrophobicContact CD2-CD1 3.87Å; L481-I683 HydrophobicContact CD2-CG1 3.91Å; L481-I683 HydrophobicContact CG-CG1 4.42Å
482	I	96.8	Very high	94.3	Very high	81 Å²	81	53.4 Å²	53.4	42%	0.415	27%	0.265	S	S	.	.			trans	-94	99.2	178.2	-55.6	175.9	0	0	0	108.6	K480 K484 P514 H517	K480-I482 WeakPolarHBondContact O-CG1 3.44Å; K480-I482 PolarHBondContact O-N 3.02Å; K480-I482 VanDerWaalsContact O-N 3.14Å; I482-K484 VanDerWaalsContact C-N 3.3Å; I482-K484 HydrophobicContact CG2-CB 4.07Å; I482-K484 HydrophobicContact CG2-CG 4.28Å; I482-K484 PolarHBondContact O-N 3.17Å; I482-P514 WeakPolarHBondContact O-CA 3.43Å; I482-H517 HydrophobicContact CB-CB 3.91Å; I482-H517 PolarHBondContact O-ND1 3.4Å
483	H	95.8	Very high	94.5	Very high	31 Å²	31	53.2 Å²	53.2	14%	0.144	26%	0.264	C	S	.	.			trans	-71.8	-21.2	179.5	-63.9	-83.9	0	0	0	113.8	L481 P513 R871 L875	L481-H483 PolarHBondContact O-N 2.9Å; H483-P513 VanDerWaalsContact O-CB 3.27Å; H483-P513 WeakPolarHBondContact O-CB 3.47Å; H483-R871 VanDerWaalsContact C-NH2 3.34Å; H483-R871 PolarHBondContact O-NE 3.13Å; H483-R871 PolarHBondContact O-NH1 3.13Å; H483-R871 PolarHBondContact O-NH2 2.8Å; H483-L875 HydrophobicContact CB-CB 4.17Å
484	K	93.4	Very high	94.6	Very high	155 Å²	155	55.1 Å²	55.1	67%	0.674	27%	0.273	S	S	*	.	S	Bend	trans	-49.4	135.2	-173.7	-65.4	-177.7	178	179.6	0	112.4	I482 P513 H517	I482-K484 VanDerWaalsContact C-N 3.3Å; I482-K484 HydrophobicContact CG2-CB 4.07Å; I482-K484 HydrophobicContact CG2-CG 4.28Å; I482-K484 PolarHBondContact O-N 3.17Å; K484-P513 WeakPolarHBondContact O-CB 3.44Å; K484-H517 PolarHBondContact O-CE1 3.14Å
485	P	91.8	Very high	94.4	Very high	52 Å²	52	51.3 Å²	51.3	34%	0.338	26%	0.257	S	S	.	.			trans	-70	143.7	-177.6	30.4	-35.6	0	0	0	112.2	P513 I835 L876	P485-P513 HydrophobicContact CB-CG 4.36Å; P485-I835 HydrophobicContact CB-CB 4.14Å; P485-I835 HydrophobicContact CB-CG1 4.09Å; P485-I835 HydrophobicContact CB-CG2 4.16Å; P485-I835 HydrophobicContact CG-CD1 4.29Å; P485-I835 HydrophobicContact CG-CG1 3.98Å; P485-L876 WeakPolarHBondContact CD-OXT 3.41Å
486	V	90.8	Very high	94	Very high	32 Å²	32	56.4 Å²	56.4	19%	0.194	28%	0.277	C	S	.	.			trans	-110.6	136.6	179.6	-169.6	0	0	0	0	110.1	L488 Y516 H517 N550 I835	V486-L488 HydrophobicContact CB-CD2 4.26Å; V486-L488 HydrophobicContact CB-CG 4.32Å; V486-L488 HydrophobicContact CG1-CD2 3.55Å; V486-L488 HydrophobicContact CG1-CG 4.05Å; V486-L488 PolarHBondContact O-N 3.44Å; V486-Y516 HydrophobicContact CG1-CE1 4.3Å; V486-Y516 HydrophobicContact CG2-CD1 3.96Å; V486-Y516 HydrophobicContact CG2-CE1 4.32Å; V486-H517 WeakPolarHBondContact CG2-CE1 3.39Å; V486-H517 WeakPolarHBondContact CG2-NE2 3.5Å; V486-N550 WeakPolarHBondContact CG1-OD1 3.26Å; V486-I835 WeakPolarHBondContact O-CG2 3.5Å
487	S	92.8	Very high	93.1	Very high	36 Å²	36	57.1 Å²	57.1	25%	0.252	29%	0.286	S	S	.	.			trans	-90.8	86.5	174.4	-179.7	0	0	0	0	110.1	M551 H834 G836	S487-M551 WeakPolarHBondContact O-CB 3.24Å; S487-M551 PolarHBondContact O-N 3.1Å; S487-M551 WeakPolarHBondContact OG-CB 3.35Å; S487-M551 WeakPolarHBondContact OG-CG 3.46Å; S487-H834 PolarHBondContact OG-CE1 3.12Å; S487-G836 WeakPolarHBondContact OG-CA 3.25Å
488	L	93.6	Very high	92.8	Very high	17 Å²	17	56.1 Å²	56.1	9%	0.089	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-84.1	143.5	-179.2	-58.5	175.1	0	0	0	111.7	V486 P490 I510 Y516 F548 N549 H834	V486-L488 HydrophobicContact CB-CD2 4.26Å; V486-L488 HydrophobicContact CB-CG 4.32Å; V486-L488 HydrophobicContact CG1-CD2 3.55Å; V486-L488 HydrophobicContact CG1-CG 4.05Å; V486-L488 PolarHBondContact O-N 3.44Å; L488-P490 VanDerWaalsContact O-CD 3.23Å; L488-P490 WeakPolarHBondContact O-CD 3.36Å; L488-I510 HydrophobicContact CD1-CG2 3.88Å; L488-Y516 HydrophobicContact CD1-CD2 3.63Å; L488-Y516 HydrophobicContact CD1-CE2 3.62Å; L488-Y516 HydrophobicContact CD1-CG 4.41Å; L488-Y516 HydrophobicContact CD2-CD2 4.22Å; L488-Y516 HydrophobicContact CD2-CE1 4.12Å; L488-Y516 HydrophobicContact CD2-CE2 3.49Å; L488-Y516 VanDerWaalsContact CD2-CE2 3.49Å; L488-Y516 VanDerWaalsContact CD2-CZ 3.46Å; L488-Y516 HydrophobicContact CG-CE2 4.2Å; L488-F548 HydrophobicContact CD1-CB 4.34Å; L488-N549 CarbonylContact C-O 3.55Å; L488-N549 WeakPolarHBondContact CA-O 3.4Å; L488-H834 PolarHBondContact O-NE2 2.99Å
489	Q	94	Very high	92.7	Very high	44 Å²	44	51.7 Å²	51.7	21%	0.206	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-64.9	119.3	168.2	-172.6	-179.2	16.2	0	0	108.6	R491 N549 M551 R571	Q489-R491 PolarHBondContact O-N 2.87Å; Q489-N549 PolarHBondContact N-O 3.31Å; Q489-M551 HydrophobicContact CB-SD 4.23Å; Q489-M551 HydrophobicContact CG-SD 4.3Å; Q489-R571 PolarHBondContact NE2-O 2.89Å
490	P	94.1	Very high	92.7	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.058	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-63.1	135.6	-178	-22.8	34.8	0	0	0	111.1	L488 I570 P572 G573 L841 V848	L488-P490 VanDerWaalsContact O-CD 3.23Å; L488-P490 WeakPolarHBondContact O-CD 3.36Å; P490-I570 HydrophobicContact CG-CG2 4.24Å; P490-P572 CarbonylContact O-C 3.5Å; P490-P572 WeakPolarHBondContact O-CA 3.49Å; P490-P572 WeakPolarHBondContact O-CB 3.11Å; P490-G573 PolarHBondContact O-N 3.18Å; P490-L841 HydrophobicContact CB-CD1 3.93Å; P490-L841 HydrophobicContact CG-CD1 3.47Å; P490-L841 VanDerWaalsContact CG-CD1 3.47Å; P490-V848 HydrophobicContact CB-CG1 3.9Å; P490-V848 HydrophobicContact CB-CG2 4.48Å
491	R	96	Very high	92.6	Very high	36 Å²	36	41.7 Å²	41.7	14%	0.136	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.2	170.4	-63.3	-179.2	77.7	-171.9	-1.7	108.6	Q489 Q507 E547 F548 V574 F576	Q489-R491 PolarHBondContact O-N 2.87Å; R491-Q507 PolarHBondContact O-NE2 2.82Å; R491-E547 VanDerWaalsContact CD-O 3.3Å; R491-E547 WeakPolarHBondContact CD-O 3.45Å; R491-E547 IonicContact CZ-OE2 3.19Å; R491-E547 PolarHBondContact NH1-O 3.38Å; R491-E547 IonicContact NH1-OE2 3.26Å; R491-E547 PolarHBondContact NH1-OE2 3.16Å; R491-E547 IonicContact NH2-OE2 2.75Å; R491-F548 HydrophobicContact CB-CD1 4.38Å; R491-F548 HydrophobicContact CB-CE1 3.8Å; R491-F548 HydrophobicContact CB-CZ 4.26Å; R491-F548 HydrophobicContact CG-CE1 4.43Å; R491-V574 VanDerWaalsContact CZ-O 3.3Å; R491-V574 PolarHBondContact NE-O 3.11Å; R491-V574 PolarHBondContact NH2-O 2.84Å; R491-F576 HydrophobicContact CB-CD1 4.41Å; R491-F576 HydrophobicContact CB-CE1 4.28Å
492	G	97.4	Very high	92.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	161.1	168.5	0	0	0	0	0	112	P575 F576 D845	G492-P575 WeakPolarHBondContact O-CA 3.35Å; G492-P575 WeakPolarHBondContact O-CB 3.34Å; G492-F576 PolarHBondContact O-N 2.82Å; G492-D845 CarbonylContact C-O 2.92Å; G492-D845 VanDerWaalsContact CA-O 3.24Å; G492-D845 WeakPolarHBondContact CA-O 3.11Å
493	L	97.8	Very high	92.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.2	176.5	-61.9	173.6	0	0	0	110.2	N495 N503 L506 Q507 F548 F576 P578 D845 Q846	L493-N495 PolarHBondContact O-N 2.85Å; L493-N503 HydrophobicContact CB-CB 4.07Å; L493-N503 WeakPolarHBondContact CB-OD1 3.49Å; L493-N503 HydrophobicContact CD1-CB 4.09Å; L493-L506 HydrophobicContact CD1-CB 4.05Å; L493-L506 HydrophobicContact CD1-CD1 4.14Å; L493-Q507 HydrophobicContact CD1-CG 4.09Å; L493-F548 HydrophobicContact CD2-CZ 4.5Å; L493-F576 CarbonylContact C-O 3.37Å; L493-F576 WeakPolarHBondContact CA-O 3.32Å; L493-F576 HydrophobicContact CD2-CD1 4.14Å; L493-F576 HydrophobicContact CD2-CD2 4.42Å; L493-F576 HydrophobicContact CD2-CE1 3.55Å; L493-F576 HydrophobicContact CD2-CE2 3.85Å; L493-F576 HydrophobicContact CD2-CZ 3.39Å; L493-P578 HydrophobicContact CD2-CG 4.16Å; L493-D845 PolarHBondContact N-O 2.96Å; L493-D845 CarbonylContact O-C 3.53Å; L493-D845 WeakPolarHBondContact O-CA 3.24Å; L493-D845 WeakPolarHBondContact O-CB 3.29Å; L493-Q846 PolarHBondContact O-N 3.48Å
494	I	96.2	Very high	92.7	Very high	40 Å²	40	34.6 Å²	34.6	21%	0.205	18%	0.178	C	C	.	.			trans	-80.6	120.6	-176.5	-57.7	173.7	0	0	0	109.5	K496 P575 F576 E577 Y582 Q846	I494-K496 HydrophobicContact CG2-CG 4.03Å; I494-P575 HydrophobicContact CG1-CB 4.15Å; I494-F576 PolarHBondContact N-O 2.93Å; I494-E577 HydrophobicContact CB-CB 4.14Å; I494-Y582 PolarHBondContact O-OH 2.91Å; I494-Q846 HydrophobicContact CG1-CB 4.37Å
495	N	91.9	Very high	92.9	Very high	44 Å²	44	27.2 Å²	27.2	24%	0.235	15%	0.146	C	C	.	.			trans	-93.7	127.9	171.3	179.8	1.1	0	0	0	110.2	L493 G497 N498 W499 D845	L493-N495 PolarHBondContact O-N 2.85Å; N495-G497 PolarHBondContact OD1-N 3.01Å; N495-N498 PolarHBondContact OD1-N 3.4Å; N495-W499 PolarHBondContact OD1-N 3.34Å; N495-W499 VanDerWaalsContact OD1-N 3.08Å; N495-D845 HydrophobicContact CB-CB 4.04Å; N495-D845 WeakPolarHBondContact CB-OD2 3.35Å; N495-D845 PolarHBondContact ND2-OD2 3.44Å
496	K	84.8	Confident	93.3	Very high	146 Å²	146	24.8 Å²	24.8	64%	0.635	13%	0.129	S	C	*	.	S	Bend	trans	-126.1	12.6	176.9	-63	-168.5	-175.1	160.6	0	113.3	I494 E577	I494-K496 HydrophobicContact CG2-CG 4.03Å; K496-E577 WeakPolarHBondContact CD-OE1 3.38Å; K496-E577 WeakPolarHBondContact CE-OE2 3.46Å; K496-E577 IonicContact NZ-OE1 3.83Å; K496-E577 IonicContact NZ-OE2 3.43Å; K496-E577 PolarHBondContact NZ-OE2 2.79Å
497	G	76.7	Confident	93.6	Very high	20 Å²	20	23.7 Å²	23.7	21%	0.206	12%	0.122	C	C	.	.	S	Bend	trans	176.5	53.4	-168.7	0	0	0	0	0	114.2	N495 W499	N495-G497 PolarHBondContact OD1-N 3.01Å; G497-W499 PolarHBondContact O-N 2.85Å; G497-W499 VanDerWaalsContact O-N 3.17Å
498	N	86.7	Confident	93.9	Very high	65 Å²	65	22 Å²	22	35%	0.348	11%	0.11	S	C	.	.	S	Bend	trans	63.2	13.8	176.8	-74.2	-24.1	0	0	0	116.5	N495 C500 G596 Q598	N495-N498 PolarHBondContact OD1-N 3.4Å; N498-C500 PolarHBondContact O-N 2.9Å; N498-G596 PolarHBondContact ND2-O 2.78Å; N498-Q598 HydrophobicContact CB-CG 3.75Å
499	W	90.9	Very high	94.1	Very high	19 Å²	19	21.3 Å²	21.3	7%	0.072	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	13.1	179.6	-53.3	126.6	0	0	0	116	N495 G497 Y501 I502 N503 Y582 L585 K595	N495-W499 PolarHBondContact OD1-N 3.34Å; N495-W499 VanDerWaalsContact OD1-N 3.08Å; G497-W499 PolarHBondContact O-N 2.85Å; G497-W499 VanDerWaalsContact O-N 3.17Å; W499-Y501 VanDerWaalsContact C-N 3.26Å; W499-Y501 HydrophobicContact CE3-CE1 4.23Å; W499-Y501 PolarHBondContact O-N 2.75Å; W499-I502 HydrophobicContact CD2-CD1 4.22Å; W499-I502 HydrophobicContact CE3-CD1 3.4Å; W499-I502 HydrophobicContact CE3-CG1 4.29Å; W499-I502 HydrophobicContact CZ3-CD1 3.84Å; W499-I502 WeakPolarHBondContact O-CB 3.33Å; W499-I502 PolarHBondContact O-N 2.84Å; W499-I502 VanDerWaalsContact O-N 3.12Å; W499-N503 PolarHBondContact O-N 3.41Å; W499-Y582 HydrophobicContact CB-CD1 4.31Å; W499-Y582 HydrophobicContact CB-CE1 3.6Å; W499-Y582 HydrophobicContact CB-CE2 4.5Å; W499-Y582 AromaticContact CD1-CD2 3.72Å; W499-Y582 AromaticContact CD1-CE1 3.91Å; W499-Y582 AromaticContact CD1-CE2 3.42Å; W499-Y582 VanDerWaalsContact CD1-CE2 3.42Å; W499-Y582 AromaticContact CD1-CZ 3.52Å; W499-Y582 AromaticContact CD2-CD1 3.94Å; W499-Y582 HydrophobicContact CD2-CD1 3.94Å; W499-Y582 HydrophobicContact CD2-CE1 4.15Å; W499-Y582 HydrophobicContact CD2-CG 4.14Å; W499-Y582 AromaticContact CE2-CG 3.89Å; W499-Y582 HydrophobicContact CE3-CD1 4.37Å; W499-Y582 AromaticContact CG-CD1 3.93Å; W499-Y582 HydrophobicContact CG-CD1 3.93Å; W499-Y582 HydrophobicContact CG-CD2 4.29Å; W499-Y582 AromaticContact CG-CE1 3.64Å; W499-Y582 HydrophobicContact CG-CE1 3.64Å; W499-Y582 HydrophobicContact CG-CE2 4.02Å; W499-Y582 HydrophobicContact CG-CG 4.25Å; W499-Y582 AromaticContact CG-CZ 3.68Å; W499-Y582 HydrophobicContact CZ2-CG 4.32Å; W499-Y582 AromaticContact NE1-CD2 3.59Å; W499-Y582 AromaticContact NE1-CE2 3.79Å; W499-Y582 AromaticContact NE1-CG 3.89Å; W499-L585 HydrophobicContact CZ3-CD1 4.49Å; W499-K595 HydrophobicContact CZ2-CG 4.47Å
500	C	94.3	Very high	94.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-58.4	-36	-179.9	60	0	0	0	0	112.7	N498 I502 N503 A504 H827	N498-C500 PolarHBondContact O-N 2.9Å; C500-I502 VanDerWaalsContact C-N 3.35Å; C500-I502 PolarHBondContact O-N 2.81Å; C500-N503 PolarHBondContact O-N 2.96Å; C500-A504 VanDerWaalsContact O-CB 3.22Å; C500-A504 WeakPolarHBondContact O-CB 3.38Å; C500-A504 PolarHBondContact O-N 2.91Å; C500-H827 VanDerWaalsContact CB-ND1 3.28Å; C500-H827 WeakPolarHBondContact CB-ND1 3.36Å
501	Y	94.1	Very high	94.5	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-62.5	-41	176.2	73.1	-92.5	0	0	0	111.7	W499 T505 L592 E599 Y604	W499-Y501 VanDerWaalsContact C-N 3.26Å; W499-Y501 HydrophobicContact CE3-CE1 4.23Å; W499-Y501 PolarHBondContact O-N 2.75Å; Y501-T505 PolarHBondContact O-N 2.84Å; Y501-T505 PolarHBondContact O-OG1 2.9Å; Y501-L592 PolarHBondContact OH-O 2.83Å; Y501-E599 HydrophobicContact CD1-CB 3.99Å; Y501-E599 HydrophobicContact CD1-CG 4.41Å; Y501-E599 HydrophobicContact CD2-CB 3.93Å; Y501-E599 HydrophobicContact CE1-CB 3.71Å; Y501-E599 HydrophobicContact CE1-CG 3.66Å; Y501-E599 HydrophobicContact CE2-CB 3.68Å; Y501-E599 HydrophobicContact CE2-CG 4.02Å; Y501-E599 HydrophobicContact CG-CB 4.09Å; Y501-E599 VanDerWaalsContact CZ-CG 3.44Å; Y501-E599 WeakPolarHBondContact OH-CG 3.41Å; Y501-Y604 HydrophobicContact CD2-CD1 4.44Å; Y501-Y604 HydrophobicContact CD2-CG 4.02Å; Y501-Y604 HydrophobicContact CE2-CD2 4.17Å; Y501-Y604 AromaticContact CE2-CG 3.95Å; Y501-Y604 HydrophobicContact CE2-CG 3.95Å
502	I	94.8	Very high	94.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.2	-57.5	171.5	-61.1	-175.4	0	0	0	109.7	W499 C500 A504 T505 L506 I581 Y582 L585 Y604	W499-I502 HydrophobicContact CD2-CD1 4.22Å; W499-I502 HydrophobicContact CE3-CD1 3.4Å; W499-I502 HydrophobicContact CE3-CG1 4.29Å; W499-I502 HydrophobicContact CZ3-CD1 3.84Å; W499-I502 WeakPolarHBondContact O-CB 3.33Å; W499-I502 PolarHBondContact O-N 2.84Å; W499-I502 VanDerWaalsContact O-N 3.12Å; C500-I502 VanDerWaalsContact C-N 3.35Å; C500-I502 PolarHBondContact O-N 2.81Å; I502-A504 VanDerWaalsContact C-N 3.27Å; I502-A504 PolarHBondContact O-N 2.82Å; I502-T505 PolarHBondContact O-N 3.06Å; I502-L506 HydrophobicContact CG2-CD1 3.6Å; I502-L506 HydrophobicContact CG2-CG 3.82Å; I502-L506 WeakPolarHBondContact O-CB 3.38Å; I502-L506 WeakPolarHBondContact O-CG 3.44Å; I502-L506 PolarHBondContact O-N 2.99Å; I502-I581 HydrophobicContact CG2-CG2 4.02Å; I502-Y582 HydrophobicContact CB-CE1 4.47Å; I502-Y582 HydrophobicContact CD1-CD1 3.92Å; I502-Y582 HydrophobicContact CD1-CE1 4.29Å; I502-Y582 HydrophobicContact CG2-CD1 4.4Å; I502-Y582 HydrophobicContact CG2-CE1 4.08Å; I502-L585 HydrophobicContact CD1-CD1 3.51Å; I502-L585 HydrophobicContact CG1-CD1 4.47Å; I502-Y604 HydrophobicContact CB-CD1 4.46Å; I502-Y604 HydrophobicContact CB-CE1 4.1Å; I502-Y604 HydrophobicContact CD1-CE2 4.39Å; I502-Y604 HydrophobicContact CG1-CD1 4.29Å; I502-Y604 HydrophobicContact CG1-CD2 4.15Å; I502-Y604 HydrophobicContact CG1-CE1 4.2Å; I502-Y604 HydrophobicContact CG1-CE2 4.07Å; I502-Y604 HydrophobicContact CG1-CG 4.28Å; I502-Y604 HydrophobicContact CG2-CE1 3.9Å; I502-Y604 HydrophobicContact CG2-CE2 4.47Å
503	N	96.9	Very high	94.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-40	-172.6	-72.4	-21.5	0	0	0	112.3	L493 W499 C500 Q507 Y582 D845	L493-N503 HydrophobicContact CB-CB 4.07Å; L493-N503 WeakPolarHBondContact CB-OD1 3.49Å; L493-N503 HydrophobicContact CD1-CB 4.09Å; W499-N503 PolarHBondContact O-N 3.41Å; C500-N503 PolarHBondContact O-N 2.96Å; N503-Q507 WeakPolarHBondContact O-CB 3.39Å; N503-Q507 WeakPolarHBondContact O-CG 3.47Å; N503-Q507 PolarHBondContact O-N 3.05Å; N503-Y582 PolarHBondContact ND2-OH 2.93Å; N503-Y582 PolarHBondContact OD1-OH 2.84Å; N503-Y582 VanDerWaalsContact OD1-OH 3.1Å; N503-D845 WeakPolarHBondContact CB-OD1 3.33Å; N503-D845 PolarHBondContact ND2-OD1 3.26Å
504	A	98.1	Very high	94.5	Very high	5 Å²	5	19.2 Å²	19.2	4%	0.041	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-50.1	177.5	0	0	0	0	0	112.1	C500 I502 Q507 A508 V816 T830	C500-A504 VanDerWaalsContact O-CB 3.22Å; C500-A504 WeakPolarHBondContact O-CB 3.38Å; C500-A504 PolarHBondContact O-N 2.91Å; I502-A504 VanDerWaalsContact C-N 3.27Å; I502-A504 PolarHBondContact O-N 2.82Å; A504-Q507 PolarHBondContact O-N 2.91Å; A504-A508 PolarHBondContact O-N 2.73Å; A504-V816 HydrophobicContact CB-CG1 3.95Å; A504-V816 HydrophobicContact CB-CG2 4.32Å; A504-T830 WeakPolarHBondContact CA-OG1 3.37Å; A504-T830 VanDerWaalsContact CB-OG1 3.27Å; A504-T830 WeakPolarHBondContact CB-OG1 3.39Å; A504-T830 PolarHBondContact O-OG1 2.72Å
505	T	98.3	Very high	94.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.6	-41.2	178.2	-72.3	0	0	0	0	112	Y501 I502 Q507 A508 L509 A601 Y604 L605	Y501-T505 PolarHBondContact O-N 2.84Å; Y501-T505 PolarHBondContact O-OG1 2.9Å; I502-T505 PolarHBondContact O-N 3.06Å; T505-Q507 PolarHBondContact O-N 2.74Å; T505-A508 PolarHBondContact O-N 2.78Å; T505-L509 HydrophobicContact CG2-CD1 4.07Å; T505-L509 HydrophobicContact CG2-CG 4.47Å; T505-L509 WeakPolarHBondContact O-CG 3.49Å; T505-L509 PolarHBondContact O-N 3.29Å; T505-A601 PolarHBondContact OG1-O 2.91Å; T505-Y604 HydrophobicContact CG2-CD1 3.8Å; T505-Y604 HydrophobicContact CG2-CE1 3.96Å; T505-L605 HydrophobicContact CG2-CB 3.89Å; T505-L605 HydrophobicContact CG2-CD1 3.91Å; T505-L605 HydrophobicContact CG2-CG 4.47Å
506	L	98.3	Very high	94.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.7	-46.4	174.1	-72.4	-172.9	0	0	0	111.8	L493 I502 A508 L509 I510 F541 L544 P578 I581 Y604	L493-L506 HydrophobicContact CD1-CB 4.05Å; L493-L506 HydrophobicContact CD1-CD1 4.14Å; I502-L506 HydrophobicContact CG2-CD1 3.6Å; I502-L506 HydrophobicContact CG2-CG 3.82Å; I502-L506 WeakPolarHBondContact O-CB 3.38Å; I502-L506 WeakPolarHBondContact O-CG 3.44Å; I502-L506 PolarHBondContact O-N 2.99Å; L506-A508 VanDerWaalsContact C-N 3.32Å; L506-A508 PolarHBondContact O-N 2.86Å; L506-L509 PolarHBondContact O-N 3Å; L506-L509 VanDerWaalsContact O-N 3.16Å; L506-I510 HydrophobicContact CB-CD1 4.45Å; L506-I510 WeakPolarHBondContact O-CD1 3.33Å; L506-I510 VanDerWaalsContact O-CG1 3.24Å; L506-I510 WeakPolarHBondContact O-CG1 3.32Å; L506-I510 PolarHBondContact O-N 3.43Å; L506-F541 HydrophobicContact CD2-CE1 3.7Å; L506-F541 HydrophobicContact CD2-CE2 4.45Å; L506-F541 HydrophobicContact CD2-CZ 3.44Å; L506-F541 VanDerWaalsContact CD2-CZ 3.44Å; L506-L544 HydrophobicContact CB-CD2 4.31Å; L506-L544 HydrophobicContact CD1-CD1 4.39Å; L506-L544 HydrophobicContact CD1-CD2 3.89Å; L506-L544 HydrophobicContact CD2-CD2 3.63Å; L506-L544 HydrophobicContact CG-CD2 4.15Å; L506-P578 HydrophobicContact CD1-CG 4.38Å; L506-I581 HydrophobicContact CD1-CG1 4.33Å; L506-I581 HydrophobicContact CD1-CG2 4.28Å; L506-Y604 HydrophobicContact CD2-CE1 4.32Å; L506-Y604 WeakPolarHBondContact CD2-OH 3.27Å; L506-Y604 HydrophobicContact CG-CE1 4.42Å
507	Q	98.4	Very high	95.5	Very high	10 Å²	10	11 Å²	11	5%	0.047	6%	0.064	C	C	.	.	H	α-helix	trans	-63.3	-36.3	179.4	-70.6	-76.9	4.6	0	0	112.5	R491 L493 N503 A504 T505 A511 I843	R491-Q507 PolarHBondContact O-NE2 2.82Å; L493-Q507 HydrophobicContact CD1-CG 4.09Å; N503-Q507 WeakPolarHBondContact O-CB 3.39Å; N503-Q507 WeakPolarHBondContact O-CG 3.47Å; N503-Q507 PolarHBondContact O-N 3.05Å; A504-Q507 PolarHBondContact O-N 2.91Å; T505-Q507 PolarHBondContact O-N 2.74Å; Q507-A511 WeakPolarHBondContact O-CB 3.19Å; Q507-A511 PolarHBondContact O-N 2.74Å; Q507-I843 HydrophobicContact CB-CD1 4.28Å; Q507-I843 HydrophobicContact CG-CB 4.47Å; Q507-I843 HydrophobicContact CG-CD1 4.18Å; Q507-I843 HydrophobicContact CG-CG2 3.93Å; Q507-I843 VanDerWaalsContact OE1-CD1 3.31Å
508	A	98.6	Very high	96.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.5	-39.9	173	0	0	0	0	0	112.3	A504 T505 L506 A511 C512 A814 V816 T830 Y869	A504-A508 PolarHBondContact O-N 2.73Å; T505-A508 PolarHBondContact O-N 2.78Å; L506-A508 VanDerWaalsContact C-N 3.32Å; L506-A508 PolarHBondContact O-N 2.86Å; A508-A511 PolarHBondContact O-N 2.66Å; A508-C512 PolarHBondContact O-N 2.82Å; A508-A814 HydrophobicContact CB-CB 3.98Å; A508-V816 HydrophobicContact CB-CG2 4.22Å; A508-T830 HydrophobicContact CB-CG2 4.05Å; A508-Y869 HydrophobicContact CB-CD1 4.29Å; A508-Y869 HydrophobicContact CB-CD2 3.88Å; A508-Y869 HydrophobicContact CB-CE1 3.94Å; A508-Y869 HydrophobicContact CB-CE2 3.49Å; A508-Y869 VanDerWaalsContact CB-CE2 3.49Å; A508-Y869 HydrophobicContact CB-CG 4.27Å
509	L	98.5	Very high	97	Very high	2 Å²	2	7 Å²	7	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-69.5	-36.8	176.4	-69.5	174.9	0	0	0	112.9	T505 L506 C512 M515 F541 L605 T608 L609 F684	T505-L509 HydrophobicContact CG2-CD1 4.07Å; T505-L509 HydrophobicContact CG2-CG 4.47Å; T505-L509 WeakPolarHBondContact O-CG 3.49Å; T505-L509 PolarHBondContact O-N 3.29Å; L506-L509 PolarHBondContact O-N 3Å; L506-L509 VanDerWaalsContact O-N 3.16Å; L509-C512 VanDerWaalsContact O-CB 3.3Å; L509-C512 WeakPolarHBondContact O-CB 3.19Å; L509-C512 PolarHBondContact O-N 2.82Å; L509-M515 HydrophobicContact CD2-CE 4.15Å; L509-F541 HydrophobicContact CD1-CE1 4.05Å; L509-F541 HydrophobicContact CD1-CZ 4.43Å; L509-L605 HydrophobicContact CD1-CD1 4.12Å; L509-L605 HydrophobicContact CD2-CD1 3.93Å; L509-L605 HydrophobicContact CG-CD1 4.27Å; L509-T608 HydrophobicContact CD1-CG2 3.84Å; L509-L609 HydrophobicContact CD2-CD2 4.34Å; L509-F684 HydrophobicContact CD2-CE1 4.26Å; L509-F684 HydrophobicContact CD2-CZ 3.79Å
510	I	97.9	Very high	97.2	Very high	8 Å²	8	10 Å²	10	4%	0.041	5%	0.052	C	C	.	.	H	α-helix	trans	-68.2	-36.3	174.2	-66.7	154.3	0	0	0	111	L488 L506 C512 L544 F548	L488-I510 HydrophobicContact CD1-CG2 3.88Å; L506-I510 HydrophobicContact CB-CD1 4.45Å; L506-I510 WeakPolarHBondContact O-CD1 3.33Å; L506-I510 VanDerWaalsContact O-CG1 3.24Å; L506-I510 WeakPolarHBondContact O-CG1 3.32Å; L506-I510 PolarHBondContact O-N 3.43Å; I510-C512 PolarHBondContact O-N 2.77Å; I510-L544 HydrophobicContact CD1-CD1 4.32Å; I510-L544 HydrophobicContact CD1-CD2 4.01Å; I510-L544 HydrophobicContact CD1-CG 4.05Å; I510-L544 HydrophobicContact CG1-CD2 4.32Å; I510-L544 HydrophobicContact CG1-CG 4.48Å; I510-F548 HydrophobicContact CD1-CD2 4.13Å; I510-F548 HydrophobicContact CD1-CE2 3.44Å; I510-F548 VanDerWaalsContact CD1-CE2 3.44Å; I510-F548 HydrophobicContact CD1-CZ 3.68Å; I510-F548 HydrophobicContact CG1-CE2 4.32Å; I510-F548 HydrophobicContact CG2-CD1 4.13Å; I510-F548 HydrophobicContact CG2-CD2 4.11Å; I510-F548 HydrophobicContact CG2-CE1 4.32Å; I510-F548 HydrophobicContact CG2-CE2 4.34Å; I510-F548 HydrophobicContact CG2-CG 4.02Å; I510-F548 HydrophobicContact CG2-CZ 4.44Å
511	A	97.2	Very high	97.3	Very high	28 Å²	28	12.7 Å²	12.7	23%	0.231	7%	0.071	C	C	.	.	H	α-helix	trans	-71.2	-14.8	174.3	0	0	0	0	0	113.6	Q507 A508 P513 F813 V832	Q507-A511 WeakPolarHBondContact O-CB 3.19Å; Q507-A511 PolarHBondContact O-N 2.74Å; A508-A511 PolarHBondContact O-N 2.66Å; A511-P513 WeakPolarHBondContact O-CD 3.35Å; A511-F813 HydrophobicContact CB-CD2 4.38Å; A511-F813 HydrophobicContact CB-CE2 4.5Å; A511-V832 HydrophobicContact CB-CB 4.02Å; A511-V832 HydrophobicContact CB-CG1 3.8Å
512	C	97.9	Very high	97.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.			trans	-77.5	108.3	176.3	-179.5	0	0	0	0	110.4	A508 L509 I510 M515 Y516 F813	A508-C512 PolarHBondContact O-N 2.82Å; L509-C512 VanDerWaalsContact O-CB 3.3Å; L509-C512 WeakPolarHBondContact O-CB 3.19Å; L509-C512 PolarHBondContact O-N 2.82Å; I510-C512 PolarHBondContact O-N 2.77Å; C512-M515 HydrophobicContact CB-CB 3.91Å; C512-M515 WeakPolarHBondContact O-CB 3.45Å; C512-M515 PolarHBondContact O-N 3.41Å; C512-Y516 PolarHBondContact O-N 2.83Å; C512-F813 HydrophobicContact CB-CE2 3.82Å; C512-F813 HydrophobicContact CB-CZ 3.82Å
513	P	96.5	Very high	97.2	Very high	11 Å²	11	15.1 Å²	15.1	7%	0.071	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-38.3	-167.7	-21.1	33.9	0	0	0	116.7	H483 K484 P485 A511 M515 Y516 H517	H483-P513 VanDerWaalsContact O-CB 3.27Å; H483-P513 WeakPolarHBondContact O-CB 3.47Å; K484-P513 WeakPolarHBondContact O-CB 3.44Å; P485-P513 HydrophobicContact CB-CG 4.36Å; A511-P513 WeakPolarHBondContact O-CD 3.35Å; P513-M515 VanDerWaalsContact C-N 3.31Å; P513-M515 PolarHBondContact O-N 2.77Å; P513-Y516 PolarHBondContact O-N 2.66Å; P513-H517 PolarHBondContact O-N 2.75Å; P513-H517 PolarHBondContact O-ND1 3.48Å; P513-H517 VanDerWaalsContact O-ND1 3.11Å
514	P	97.7	Very high	96.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.4	-28.5	175.4	29.9	-36.1	0	0	0	112.2	I482 L518 I683 V759	I482-P514 WeakPolarHBondContact O-CA 3.43Å; P514-L518 WeakPolarHBondContact O-CB 3.41Å; P514-L518 PolarHBondContact O-N 3.22Å; P514-I683 HydrophobicContact CB-CD1 4.08Å; P514-I683 HydrophobicContact CB-CG1 4.03Å; P514-I683 HydrophobicContact CG-CD1 4.46Å; P514-I683 HydrophobicContact CG-CG1 4.25Å; P514-I683 HydrophobicContact CG-CG2 3.84Å; P514-V759 HydrophobicContact CG-CG2 4.08Å
515	M	97.8	Very high	96.2	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.02	11%	0.114	C	C	.	.	H	α-helix	trans	-68	-46.2	172.5	-177	61.1	132.3	0	0	110.8	L509 C512 P513 H517 L518 M519 L609 L612 I680 F684	L509-M515 HydrophobicContact CD2-CE 4.15Å; C512-M515 HydrophobicContact CB-CB 3.91Å; C512-M515 WeakPolarHBondContact O-CB 3.45Å; C512-M515 PolarHBondContact O-N 3.41Å; P513-M515 VanDerWaalsContact C-N 3.31Å; P513-M515 PolarHBondContact O-N 2.77Å; M515-H517 PolarHBondContact O-N 3.27Å; M515-L518 PolarHBondContact O-N 2.72Å; M515-M519 HydrophobicContact CE-CE 4.29Å; M515-M519 WeakPolarHBondContact O-CG 3.14Å; M515-M519 PolarHBondContact O-N 3.35Å; M515-M519 VanDerWaalsContact O-N 3.1Å; M515-M519 HydrophobicContact SD-CE 3.68Å; M515-M519 HydrophobicContact SD-CG 4.44Å; M515-L609 HydrophobicContact CE-CD2 3.81Å; M515-L612 HydrophobicContact CE-CD1 3.69Å; M515-I680 HydrophobicContact CE-CD1 4.12Å; M515-I680 HydrophobicContact SD-CD1 4.12Å; M515-F684 HydrophobicContact CB-CE2 4.38Å; M515-F684 HydrophobicContact CB-CZ 4.23Å; M515-F684 HydrophobicContact CE-CE2 3.91Å; M515-F684 HydrophobicContact CE-CZ 4.38Å; M515-F684 HydrophobicContact CG-CE2 4.47Å; M515-F684 HydrophobicContact CG-CZ 4.44Å; M515-F684 HydrophobicContact SD-CE2 4.14Å
516	Y	97.6	Very high	95.2	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-55.4	-51.6	172	-179	-87.2	0	0	0	111.1	V486 L488 C512 P513 L518 M519 K520 V545 F548	V486-Y516 HydrophobicContact CG1-CE1 4.3Å; V486-Y516 HydrophobicContact CG2-CD1 3.96Å; V486-Y516 HydrophobicContact CG2-CE1 4.32Å; L488-Y516 HydrophobicContact CD1-CD2 3.63Å; L488-Y516 HydrophobicContact CD1-CE2 3.62Å; L488-Y516 HydrophobicContact CD1-CG 4.41Å; L488-Y516 HydrophobicContact CD2-CD2 4.22Å; L488-Y516 HydrophobicContact CD2-CE1 4.12Å; L488-Y516 HydrophobicContact CD2-CE2 3.49Å; L488-Y516 VanDerWaalsContact CD2-CE2 3.49Å; L488-Y516 VanDerWaalsContact CD2-CZ 3.46Å; L488-Y516 HydrophobicContact CG-CE2 4.2Å; C512-Y516 PolarHBondContact O-N 2.83Å; P513-Y516 PolarHBondContact O-N 2.66Å; Y516-L518 PolarHBondContact O-N 2.96Å; Y516-M519 PolarHBondContact O-N 2.9Å; Y516-K520 HydrophobicContact CD1-CB 4.4Å; Y516-K520 HydrophobicContact CE1-CB 4.1Å; Y516-K520 HydrophobicContact CE1-CD 4.32Å; Y516-K520 HydrophobicContact CE1-CG 4.02Å; Y516-K520 WeakPolarHBondContact O-CB 3.35Å; Y516-K520 PolarHBondContact O-N 3.47Å; Y516-K520 WeakPolarHBondContact OH-CE 3.28Å; Y516-V545 HydrophobicContact CD2-CG1 3.76Å; Y516-V545 HydrophobicContact CD2-CG2 4.26Å; Y516-V545 HydrophobicContact CE2-CG1 3.68Å; Y516-V545 HydrophobicContact CG-CG1 4.3Å; Y516-F548 HydrophobicContact CE2-CB 4.4Å; Y516-F548 PolarHBondContact OH-O 2.89Å
517	H	97.6	Very high	94	Very high	43 Å²	43	29.5 Å²	29.5	20%	0.199	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-36.8	-178.3	-75.8	126.4	0	0	0	113.9	I482 K484 V486 P513 M515 K520 S521	I482-H517 HydrophobicContact CB-CB 3.91Å; I482-H517 PolarHBondContact O-ND1 3.4Å; K484-H517 PolarHBondContact O-CE1 3.14Å; V486-H517 WeakPolarHBondContact CG2-CE1 3.39Å; V486-H517 WeakPolarHBondContact CG2-NE2 3.5Å; P513-H517 PolarHBondContact O-N 2.75Å; P513-H517 PolarHBondContact O-ND1 3.48Å; P513-H517 VanDerWaalsContact O-ND1 3.11Å; M515-H517 PolarHBondContact O-N 3.27Å; H517-K520 PolarHBondContact O-N 3.48Å; H517-S521 WeakPolarHBondContact O-CB 3.26Å; H517-S521 PolarHBondContact O-N 3.22Å
518	L	97.9	Very high	92.7	Very high	3 Å²	3	35 Å²	35	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-55.9	173.3	172.6	57.8	0	0	0	110.2	I476 V479 P514 M515 Y516 K520 S521 M616 P679 I680 I683	I476-L518 HydrophobicContact CD1-CD1 4.45Å; V479-L518 HydrophobicContact CB-CD1 4.5Å; V479-L518 HydrophobicContact CG1-CD1 4Å; V479-L518 HydrophobicContact CG2-CD1 3.94Å; P514-L518 WeakPolarHBondContact O-CB 3.41Å; P514-L518 PolarHBondContact O-N 3.22Å; M515-L518 PolarHBondContact O-N 2.72Å; Y516-L518 PolarHBondContact O-N 2.96Å; L518-K520 VanDerWaalsContact C-N 3.3Å; L518-K520 PolarHBondContact O-N 3.09Å; L518-S521 PolarHBondContact O-N 3.48Å; L518-S521 VanDerWaalsContact O-N 3.13Å; L518-S521 PolarHBondContact O-OG 2.92Å; L518-M616 HydrophobicContact CD2-CE 4.09Å; L518-M616 HydrophobicContact CD2-SD 4.5Å; L518-M616 HydrophobicContact CG-CE 4.44Å; L518-P679 HydrophobicContact CD1-CB 3.67Å; L518-P679 HydrophobicContact CD1-CG 4.26Å; L518-P679 HydrophobicContact CD2-CB 3.64Å; L518-P679 HydrophobicContact CG-CB 4.32Å; L518-I680 HydrophobicContact CD2-CD1 3.91Å; L518-I683 HydrophobicContact CB-CD1 4.46Å; L518-I683 HydrophobicContact CD2-CD1 3.81Å
519	M	97.8	Very high	91.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-28.6	179.4	-58.9	-57.1	160.2	0	0	112.9	M515 Y516 S521 I522 F541 V542 V545 L612 M616 I680	M515-M519 HydrophobicContact CE-CE 4.29Å; M515-M519 WeakPolarHBondContact O-CG 3.14Å; M515-M519 PolarHBondContact O-N 3.35Å; M515-M519 VanDerWaalsContact O-N 3.1Å; M515-M519 HydrophobicContact SD-CE 3.68Å; M515-M519 HydrophobicContact SD-CG 4.44Å; Y516-M519 PolarHBondContact O-N 2.9Å; M519-S521 VanDerWaalsContact C-N 3.33Å; M519-I522 HydrophobicContact SD-CD1 4.46Å; M519-F541 HydrophobicContact CE-CB 4.44Å; M519-F541 HydrophobicContact CG-CB 4.21Å; M519-F541 HydrophobicContact SD-CB 3.89Å; M519-V542 HydrophobicContact CB-CG2 4.46Å; M519-V542 HydrophobicContact SD-CG2 4.32Å; M519-V545 HydrophobicContact CB-CB 3.9Å; M519-V545 HydrophobicContact CB-CG1 4.01Å; M519-V545 HydrophobicContact CB-CG2 3.83Å; M519-V545 HydrophobicContact CG-CG2 4.37Å; M519-L612 HydrophobicContact CE-CD1 3.93Å; M519-L612 HydrophobicContact CE-CD2 3.97Å; M519-M616 HydrophobicContact CE-CE 3.9Å; M519-I680 HydrophobicContact CE-CD1 4.15Å
520	K	95.8	Very high	90.6	Very high	82 Å²	82	41.5 Å²	41.5	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-76.1	-19	175.2	-159	66.8	169	-175.5	0	113.2	Y516 H517 L518 V545 N546	Y516-K520 HydrophobicContact CD1-CB 4.4Å; Y516-K520 HydrophobicContact CE1-CB 4.1Å; Y516-K520 HydrophobicContact CE1-CD 4.32Å; Y516-K520 HydrophobicContact CE1-CG 4.02Å; Y516-K520 WeakPolarHBondContact O-CB 3.35Å; Y516-K520 PolarHBondContact O-N 3.47Å; Y516-K520 WeakPolarHBondContact OH-CE 3.28Å; H517-K520 PolarHBondContact O-N 3.48Å; L518-K520 VanDerWaalsContact C-N 3.3Å; L518-K520 PolarHBondContact O-N 3.09Å; K520-V545 HydrophobicContact CB-CG1 4Å; K520-V545 HydrophobicContact CD-CG1 3.94Å; K520-N546 PolarHBondContact NZ-OD1 3.31Å
521	S	95.3	Very high	89.5	Confident	56 Å²	56	46.7 Å²	46.7	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-81.2	-22.6	176.8	74.4	0	0	0	0	113.5	H517 L518 M519	H517-S521 WeakPolarHBondContact O-CB 3.26Å; H517-S521 PolarHBondContact O-N 3.22Å; L518-S521 PolarHBondContact O-N 3.48Å; L518-S521 VanDerWaalsContact O-N 3.13Å; L518-S521 PolarHBondContact O-OG 2.92Å; M519-S521 VanDerWaalsContact C-N 3.33Å
522	I	95.4	Very high	88.7	Confident	5 Å²	5	47 Å²	47	3%	0.026	26%	0.257	C	S	.	.	S	Bend	trans	-83.2	131.3	178.5	-58.5	168.8	0	0	0	108.9	L472 I475 I476 M519 L524 I538 V542	L472-I522 HydrophobicContact CD2-CG2 3.69Å; I475-I522 HydrophobicContact CG2-CG1 4.26Å; I476-I522 HydrophobicContact CD1-CD1 3.91Å; M519-I522 HydrophobicContact SD-CD1 4.46Å; I522-L524 PolarHBondContact O-N 3.42Å; I522-I538 HydrophobicContact CD1-CG2 3.73Å; I522-I538 HydrophobicContact CG2-CG2 4.3Å; I522-V542 HydrophobicContact CB-CG2 3.72Å; I522-V542 HydrophobicContact CD1-CG2 4.21Å; I522-V542 HydrophobicContact CG2-CG2 3.81Å
523	P	91.8	Very high	88.3	Confident	48 Å²	48	48.6 Å²	48.6	31%	0.312	27%	0.267	S	S	.	.			trans	-61.9	132.4	179	-23.5	33.2	0	0	0	112.7	I475 H525	I475-P523 HydrophobicContact CD1-CG 4.15Å; P523-H525 PolarHBondContact O-CE1 3.07Å; P523-H525 PolarHBondContact O-N 2.92Å; P523-H525 PolarHBondContact O-ND1 3.45Å; P523-H525 VanDerWaalsContact O-ND1 3.15Å
524	L	90.1	Very high	88.1	Confident	91 Å²	91	48.9 Å²	48.9	48%	0.476	27%	0.268	S	S	.	.			trans	-74.9	107.3	168.9	179.8	65.5	0	0	0	109.4	I522 V542 R543 N546	I522-L524 PolarHBondContact O-N 3.42Å; L524-V542 HydrophobicContact CB-CG1 4.13Å; L524-V542 HydrophobicContact CD1-CG1 4.16Å; L524-R543 HydrophobicContact CD1-CB 4.12Å; L524-R543 HydrophobicContact CD1-CG 4.49Å; L524-N546 HydrophobicContact CD2-CB 3.98Å
525	H	84	Confident	87.9	Confident	33 Å²	33	48.9 Å²	48.9	15%	0.153	27%	0.269	C	S	.	.			trans	-87.2	144.7	173.9	-57.5	97.9	0	0	0	110.5	P523 Q529 R530	P523-H525 PolarHBondContact O-CE1 3.07Å; P523-H525 PolarHBondContact O-N 2.92Å; P523-H525 PolarHBondContact O-ND1 3.45Å; P523-H525 VanDerWaalsContact O-ND1 3.15Å; H525-Q529 HydrophobicContact CB-CB 4.42Å; H525-R530 HydrophobicContact CB-CB 4.09Å
526	S	77.2	Confident	87.7	Confident	47 Å²	47	49.4 Å²	49.4	33%	0.329	27%	0.272	S	S	.	.			trans	-80.4	157.8	168.7	62.3	0	0	0	0	111.7	T528 Q529 R530	S526-T528 PolarHBondContact O-N 3.43Å; S526-T528 PolarHBondContact OG-OG1 3.01Å; S526-Q529 WeakPolarHBondContact O-CA 3.41Å; S526-Q529 WeakPolarHBondContact O-CB 3.34Å; S526-Q529 PolarHBondContact O-N 3.33Å; S526-Q529 VanDerWaalsContact OG-CG 3.25Å; S526-Q529 WeakPolarHBondContact OG-CG 3.5Å; S526-Q529 PolarHBondContact OG-N 3Å; S526-Q529 PolarHBondContact OG-OE1 2.9Å; S526-R530 PolarHBondContact O-N 3.06Å
527	E	72.2	Confident	87.6	Confident	140 Å²	140	49.4 Å²	49.4	65%	0.654	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.2	173.8	-66.5	159.3	-152.8	0	0	112.2	R543	E527-R543 IonicContact OE1-CZ 2.74Å; E527-R543 IonicContact OE1-NH1 2.91Å; E527-R543 PolarHBondContact OE1-NH1 3.12Å; E527-R543 IonicContact OE1-NH2 2.9Å; E527-R543 PolarHBondContact OE1-NH2 3.09Å
528	T	70.9	Confident	87.5	Confident	124 Å²	124	47.3 Å²	47.3	76%	0.761	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-15.5	172.4	51.1	0	0	0	0	115.2	S526	S526-T528 PolarHBondContact O-N 3.43Å; S526-T528 PolarHBondContact OG-OG1 3.01Å
529	Q	74	Confident	87.3	Confident	124 Å²	124	48.7 Å²	48.7	58%	0.579	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-30.5	177.4	-75.1	168.1	-15	0	0	112.4	H525 S526	H525-Q529 HydrophobicContact CB-CB 4.42Å; S526-Q529 WeakPolarHBondContact O-CA 3.41Å; S526-Q529 WeakPolarHBondContact O-CB 3.34Å; S526-Q529 PolarHBondContact O-N 3.33Å; S526-Q529 VanDerWaalsContact OG-CG 3.25Å; S526-Q529 WeakPolarHBondContact OG-CG 3.5Å; S526-Q529 PolarHBondContact OG-N 3Å; S526-Q529 PolarHBondContact OG-OE1 2.9Å
530	R	80.8	Confident	87.2	Confident	16 Å²	16	49.9 Å²	49.9	6%	0.06	28%	0.277	C	S	.	.			trans	-127.6	80.9	179.7	-171.9	173.1	-168.1	-168.4	2.5	109.1	D466 M468 L472 H525 S526 C532 T533 T535 D539	D466-R530 IonicContact OD1-NE 3.28Å; D466-R530 IonicContact OD1-NH2 3.87Å; D466-R530 IonicContact OD2-CZ 3.57Å; D466-R530 IonicContact OD2-NE 3.55Å; D466-R530 PolarHBondContact OD2-NE 2.91Å; D466-R530 IonicContact OD2-NH2 2.76Å; D466-R530 PolarHBondContact OD2-NH2 2.9Å; M468-R530 HydrophobicContact CG-CG 4.33Å; L472-R530 VanDerWaalsContact CD1-CZ 3.46Å; L472-R530 VanDerWaalsContact CD1-NH1 3.31Å; L472-R530 VanDerWaalsContact CD1-NH2 3.27Å; H525-R530 HydrophobicContact CB-CB 4.09Å; S526-R530 PolarHBondContact O-N 3.06Å; R530-C532 VanDerWaalsContact C-N 3.27Å; R530-C532 WeakPolarHBondContact CG-O 3.16Å; R530-C532 PolarHBondContact O-N 2.88Å; R530-T533 PolarHBondContact NE-OG1 2.88Å; R530-T533 PolarHBondContact NH1-OG1 2.83Å; R530-T533 PolarHBondContact NH2-OG1 3.1Å; R530-T535 PolarHBondContact NH1-OG1 3.04Å; R530-T535 PolarHBondContact NH2-OG1 3.43Å; R530-D539 IonicContact CZ-OD1 2.71Å; R530-D539 IonicContact CZ-OD2 2.77Å; R530-D539 IonicContact NE-OD2 3.43Å; R530-D539 IonicContact NH1-OD1 3.54Å; R530-D539 PolarHBondContact NH1-OD1 3.14Å; R530-D539 IonicContact NH1-OD2 3.73Å; R530-D539 PolarHBondContact NH1-OD2 2.89Å
531	T	73.7	Confident	87.2	Confident	116 Å²	116	46.2 Å²	46.2	71%	0.712	26%	0.261	S	S	*	.	S	Bend	trans	-72.6	-17.6	-175.7	50.3	0	0	0	0	113.9
532	C	80.8	Confident	87.3	Confident	36 Å²	36	43.6 Å²	43.6	24%	0.243	24%	0.243	C	C	.	.	S	Bend	trans	-132	144.9	166.6	56.9	0	0	0	0	109	V461 R530	V461-C532 HydrophobicContact CB-CB 4.45Å; V461-C532 HydrophobicContact CG1-CB 3.77Å; V461-C532 HydrophobicContact CG2-CB 3.83Å; R530-C532 VanDerWaalsContact C-N 3.27Å; R530-C532 WeakPolarHBondContact CG-O 3.16Å; R530-C532 PolarHBondContact O-N 2.88Å
533	T	89.9	Confident	87.3	Confident	33 Å²	33	48 Å²	48	20%	0.202	26%	0.259	C	S	.	.			trans	-133.4	135.1	175.9	-177.4	0	0	0	0	111.5	P460 V461 D466 R530 T535 P536 D539	P460-T533 WeakPolarHBondContact CA-O 2.77Å; V461-T533 PolarHBondContact N-O 2.9Å; D466-T533 WeakPolarHBondContact OD2-CA 3.45Å; R530-T533 PolarHBondContact NE-OG1 2.88Å; R530-T533 PolarHBondContact NH1-OG1 2.83Å; R530-T533 PolarHBondContact NH2-OG1 3.1Å; T533-T535 PolarHBondContact OG1-N 2.92Å; T533-P536 HydrophobicContact CG2-CB 4.28Å; T533-D539 VanDerWaalsContact CB-OD2 3.25Å; T533-D539 WeakPolarHBondContact CB-OD2 3.29Å; T533-D539 PolarHBondContact OG1-OD2 2.96Å
534	S	92.3	Very high	87.6	Confident	16 Å²	16	45.8 Å²	45.8	11%	0.112	24%	0.244	C	C	.	.	S	Bend	trans	-95.1	-3.9	167.1	58.8	0	0	0	0	112.7	V461 D466 P536	V461-S534 WeakPolarHBondContact O-CA 3.41Å; V461-S534 WeakPolarHBondContact O-CB 3.25Å; D466-S534 WeakPolarHBondContact CB-OG 3.45Å; D466-S534 PolarHBondContact OD2-N 2.84Å; D466-S534 PolarHBondContact OD2-OG 3.17Å; S534-P536 VanDerWaalsContact C-CD 3.42Å
535	T	94	Very high	87.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.223	C	C	.	.			trans	-130.1	59.5	-177.5	72.2	0	0	0	0	112.6	R530 T533 M537 I538 D539 E615 L619	R530-T535 PolarHBondContact NH1-OG1 3.04Å; R530-T535 PolarHBondContact NH2-OG1 3.43Å; T533-T535 PolarHBondContact OG1-N 2.92Å; T535-M537 PolarHBondContact O-N 3.16Å; T535-I538 HydrophobicContact CG2-CD1 4.31Å; T535-I538 PolarHBondContact O-N 3.18Å; T535-D539 PolarHBondContact O-N 3.13Å; T535-E615 VanDerWaalsContact C-CD 3.46Å; T535-E615 WeakPolarHBondContact CA-OE2 3.48Å; T535-E615 WeakPolarHBondContact CB-OE2 3.43Å; T535-E615 HydrophobicContact CG2-CB 4.27Å; T535-L619 HydrophobicContact CG2-CD1 4Å; T535-L619 HydrophobicContact CG2-CD2 3.99Å; T535-L619 HydrophobicContact CG2-CG 3.94Å
536	P	92.8	Very high	88.5	Confident	15 Å²	15	42.6 Å²	42.6	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-33.2	-177.2	29	-38.6	0	0	0	114.1	P460 T533 S534 N540 L584 E615	P460-P536 HydrophobicContact CB-CG 4.33Å; P460-P536 HydrophobicContact CG-CG 4.05Å; T533-P536 HydrophobicContact CG2-CB 4.28Å; S534-P536 VanDerWaalsContact C-CD 3.42Å; P536-N540 WeakPolarHBondContact O-CB 3.27Å; P536-N540 PolarHBondContact O-N 3.38Å; P536-N540 VanDerWaalsContact O-N 3.11Å; P536-N540 PolarHBondContact O-ND2 3.47Å; P536-L584 HydrophobicContact CB-CD1 3.8Å; P536-L584 HydrophobicContact CG-CD1 4.36Å; P536-E615 WeakPolarHBondContact CD-OE1 3.37Å; P536-E615 WeakPolarHBondContact CG-OE1 3.42Å
537	M	94.6	Very high	89.4	Confident	8 Å²	8	43.3 Å²	43.3	4%	0.039	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-48.1	174.1	-61.4	-73.9	-68.3	0	0	110.2	T535 N540 F541 L584 I588 F607 L612 E615	T535-M537 PolarHBondContact O-N 3.16Å; M537-N540 PolarHBondContact O-N 3.49Å; M537-F541 WeakPolarHBondContact O-CD2 3.2Å; M537-F541 PolarHBondContact O-N 3.43Å; M537-L584 HydrophobicContact SD-CD1 4.45Å; M537-L584 HydrophobicContact SD-CD2 3.64Å; M537-L584 HydrophobicContact SD-CG 4.1Å; M537-I588 HydrophobicContact SD-CD1 4.05Å; M537-F607 HydrophobicContact CE-CD1 4.35Å; M537-F607 HydrophobicContact CE-CE1 4.1Å; M537-F607 HydrophobicContact SD-CE1 4.15Å; M537-L612 HydrophobicContact CB-CD2 3.75Å; M537-L612 HydrophobicContact CB-CG 4.2Å; M537-E615 WeakPolarHBondContact CA-OE2 3.43Å; M537-E615 VanDerWaalsContact CB-CD 3.49Å; M537-E615 VanDerWaalsContact CB-OE1 3.25Å; M537-E615 WeakPolarHBondContact CB-OE1 3.45Å; M537-E615 WeakPolarHBondContact CB-OE2 3.44Å; M537-E615 WeakPolarHBondContact CG-OE1 3.37Å; M537-E615 VanDerWaalsContact N-CD 3.31Å; M537-E615 PolarHBondContact N-OE1 2.82Å; M537-E615 PolarHBondContact N-OE2 2.93Å
538	I	95.8	Very high	90.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-51.9	177.1	-64.8	175.6	0	0	0	110.3	I522 T535 N540 F541 V542 L612 E615 M616 L619	I522-I538 HydrophobicContact CD1-CG2 3.73Å; I522-I538 HydrophobicContact CG2-CG2 4.3Å; T535-I538 HydrophobicContact CG2-CD1 4.31Å; T535-I538 PolarHBondContact O-N 3.18Å; I538-N540 VanDerWaalsContact C-N 3.29Å; I538-N540 PolarHBondContact O-N 3.33Å; I538-F541 PolarHBondContact O-N 3.16Å; I538-V542 HydrophobicContact CG2-CG2 4.02Å; I538-V542 WeakPolarHBondContact O-CB 3.33Å; I538-V542 WeakPolarHBondContact O-CG2 3.44Å; I538-V542 PolarHBondContact O-N 2.71Å; I538-L612 HydrophobicContact CG1-CD2 3.95Å; I538-E615 HydrophobicContact CD1-CB 3.87Å; I538-E615 HydrophobicContact CG1-CB 4.15Å; I538-E615 WeakPolarHBondContact CG1-OE2 3.33Å; I538-E615 PolarHBondContact N-OE2 2.8Å; I538-M616 HydrophobicContact CD1-CE 4.09Å; I538-M616 HydrophobicContact CD1-CG 3.71Å; I538-M616 HydrophobicContact CG1-CE 4.13Å; I538-L619 HydrophobicContact CD1-CD1 3.99Å
539	D	94.3	Very high	91.5	Very high	31 Å²	31	35.6 Å²	35.6	17%	0.166	19%	0.185	C	C	.	.	H	α-helix	trans	-56.2	-42.8	-178.6	-78.3	-38.2	0	0	0	112.4	R530 T533 T535 R543	R530-D539 IonicContact CZ-OD1 2.71Å; R530-D539 IonicContact CZ-OD2 2.77Å; R530-D539 IonicContact NE-OD2 3.43Å; R530-D539 IonicContact NH1-OD1 3.54Å; R530-D539 PolarHBondContact NH1-OD1 3.14Å; R530-D539 IonicContact NH1-OD2 3.73Å; R530-D539 PolarHBondContact NH1-OD2 2.89Å; T533-D539 VanDerWaalsContact CB-OD2 3.25Å; T533-D539 WeakPolarHBondContact CB-OD2 3.29Å; T533-D539 PolarHBondContact OG1-OD2 2.96Å; T535-D539 PolarHBondContact O-N 3.13Å; D539-R543 WeakPolarHBondContact O-CB 3.45Å; D539-R543 PolarHBondContact O-N 2.89Å
540	N	94.8	Very high	92.3	Very high	25 Å²	25	34.7 Å²	34.7	13%	0.134	19%	0.185	C	C	.	.	H	α-helix	trans	-72.9	-34.1	-179.2	-78.1	-80.5	0	0	0	112.8	P536 M537 I538 L544 Y580 I581 L584	P536-N540 WeakPolarHBondContact O-CB 3.27Å; P536-N540 PolarHBondContact O-N 3.38Å; P536-N540 VanDerWaalsContact O-N 3.11Å; P536-N540 PolarHBondContact O-ND2 3.47Å; M537-N540 PolarHBondContact O-N 3.49Å; I538-N540 VanDerWaalsContact C-N 3.29Å; I538-N540 PolarHBondContact O-N 3.33Å; N540-L544 WeakPolarHBondContact O-CB 3.44Å; N540-L544 PolarHBondContact O-N 2.7Å; N540-Y580 HydrophobicContact CB-CD2 4.26Å; N540-Y580 VanDerWaalsContact OD1-CB 3.27Å; N540-Y580 WeakPolarHBondContact OD1-CB 3.34Å; N540-Y580 VanDerWaalsContact OD1-CD2 3.31Å; N540-Y580 WeakPolarHBondContact OD1-CD2 3.35Å; N540-Y580 PolarHBondContact OD1-O 2.89Å; N540-I581 HydrophobicContact CB-CD1 3.86Å; N540-L584 HydrophobicContact CB-CD2 3.77Å
541	F	96.9	Very high	92.5	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-74.2	-34.1	173.7	-89.6	-97.9	0	0	0	112.9	L506 L509 M519 M537 I538 L544 V545 I581 T608 L612	L506-F541 HydrophobicContact CD2-CE1 3.7Å; L506-F541 HydrophobicContact CD2-CE2 4.45Å; L506-F541 HydrophobicContact CD2-CZ 3.44Å; L506-F541 VanDerWaalsContact CD2-CZ 3.44Å; L509-F541 HydrophobicContact CD1-CE1 4.05Å; L509-F541 HydrophobicContact CD1-CZ 4.43Å; M519-F541 HydrophobicContact CE-CB 4.44Å; M519-F541 HydrophobicContact CG-CB 4.21Å; M519-F541 HydrophobicContact SD-CB 3.89Å; M537-F541 WeakPolarHBondContact O-CD2 3.2Å; M537-F541 PolarHBondContact O-N 3.43Å; I538-F541 PolarHBondContact O-N 3.16Å; F541-L544 HydrophobicContact CD1-CD2 4.34Å; F541-L544 HydrophobicContact CE1-CD2 4.26Å; F541-L544 PolarHBondContact O-N 2.97Å; F541-V545 WeakPolarHBondContact O-CB 3.34Å; F541-V545 PolarHBondContact O-N 2.88Å; F541-I581 HydrophobicContact CD2-CD1 4.03Å; F541-I581 HydrophobicContact CE2-CD1 3.83Å; F541-I581 HydrophobicContact CZ-CD1 4.44Å; F541-T608 HydrophobicContact CE1-CG2 3.96Å; F541-T608 HydrophobicContact CE2-CG2 3.79Å; F541-T608 HydrophobicContact CZ-CG2 3.31Å; F541-L612 HydrophobicContact CB-CD2 4.37Å; F541-L612 HydrophobicContact CD1-CD1 4.35Å; F541-L612 HydrophobicContact CD2-CD1 4.32Å; F541-L612 HydrophobicContact CD2-CD2 4.33Å; F541-L612 HydrophobicContact CG-CD1 4.2Å; F541-L612 HydrophobicContact CG-CD2 4.4Å
542	V	96.9	Very high	92.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-43.9	169.9	174.1	0	0	0	0	110.3	M519 I522 L524 I538 N546	M519-V542 HydrophobicContact CB-CG2 4.46Å; M519-V542 HydrophobicContact SD-CG2 4.32Å; I522-V542 HydrophobicContact CB-CG2 3.72Å; I522-V542 HydrophobicContact CD1-CG2 4.21Å; I522-V542 HydrophobicContact CG2-CG2 3.81Å; L524-V542 HydrophobicContact CB-CG1 4.13Å; L524-V542 HydrophobicContact CD1-CG1 4.16Å; I538-V542 HydrophobicContact CG2-CG2 4.02Å; I538-V542 WeakPolarHBondContact O-CB 3.33Å; I538-V542 WeakPolarHBondContact O-CG2 3.44Å; I538-V542 PolarHBondContact O-N 2.71Å; V542-N546 WeakPolarHBondContact O-CB 3.49Å; V542-N546 PolarHBondContact O-N 3.49Å; V542-N546 VanDerWaalsContact O-N 3.13Å; V542-N546 PolarHBondContact O-ND2 2.87Å
543	R	96	Very high	92.1	Very high	98 Å²	98	40 Å²	40	37%	0.37	22%	0.216	S	C	.	.	H	α-helix	trans	-59.4	-47.3	172.8	-169.3	175.5	-172.8	150.6	4.5	111.6	L524 E527 D539 N546 E547 Y580	L524-R543 HydrophobicContact CD1-CB 4.12Å; L524-R543 HydrophobicContact CD1-CG 4.49Å; E527-R543 IonicContact OE1-CZ 2.74Å; E527-R543 IonicContact OE1-NH1 2.91Å; E527-R543 PolarHBondContact OE1-NH1 3.12Å; E527-R543 IonicContact OE1-NH2 2.9Å; E527-R543 PolarHBondContact OE1-NH2 3.09Å; D539-R543 WeakPolarHBondContact O-CB 3.45Å; D539-R543 PolarHBondContact O-N 2.89Å; R543-N546 PolarHBondContact O-N 3.42Å; R543-E547 PolarHBondContact O-N 2.75Å; R543-Y580 HydrophobicContact CB-CD2 4.47Å; R543-Y580 HydrophobicContact CB-CE2 4.07Å; R543-Y580 HydrophobicContact CG-CD1 4.45Å; R543-Y580 HydrophobicContact CG-CD2 4.37Å; R543-Y580 HydrophobicContact CG-CE1 4.08Å; R543-Y580 HydrophobicContact CG-CE2 4Å
544	L	96.9	Very high	90.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-48.9	178.2	-177.8	68.3	0	0	0	112.7	L506 I510 N540 F541 N546 E547 F548 F576 P578 Y580	L506-L544 HydrophobicContact CB-CD2 4.31Å; L506-L544 HydrophobicContact CD1-CD1 4.39Å; L506-L544 HydrophobicContact CD1-CD2 3.89Å; L506-L544 HydrophobicContact CD2-CD2 3.63Å; L506-L544 HydrophobicContact CG-CD2 4.15Å; I510-L544 HydrophobicContact CD1-CD1 4.32Å; I510-L544 HydrophobicContact CD1-CD2 4.01Å; I510-L544 HydrophobicContact CD1-CG 4.05Å; I510-L544 HydrophobicContact CG1-CD2 4.32Å; I510-L544 HydrophobicContact CG1-CG 4.48Å; N540-L544 WeakPolarHBondContact O-CB 3.44Å; N540-L544 PolarHBondContact O-N 2.7Å; F541-L544 HydrophobicContact CD1-CD2 4.34Å; F541-L544 HydrophobicContact CE1-CD2 4.26Å; F541-L544 PolarHBondContact O-N 2.97Å; L544-N546 PolarHBondContact O-N 3.15Å; L544-E547 WeakPolarHBondContact O-CB 3.49Å; L544-E547 PolarHBondContact O-N 3.46Å; L544-E547 VanDerWaalsContact O-N 3.1Å; L544-F548 HydrophobicContact CD1-CE2 4.4Å; L544-F548 WeakPolarHBondContact O-CD2 3.46Å; L544-F576 HydrophobicContact CD1-CE2 4.23Å; L544-F576 HydrophobicContact CD1-CZ 4.01Å; L544-P578 HydrophobicContact CD1-CB 4.2Å; L544-Y580 WeakPolarHBondContact CA-OH 3.2Å; L544-Y580 HydrophobicContact CB-CE2 4.21Å
545	V	96.9	Very high	89	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-21.2	179.9	157.6	0	0	0	0	112.6	Y516 M519 K520 F541	Y516-V545 HydrophobicContact CD2-CG1 3.76Å; Y516-V545 HydrophobicContact CD2-CG2 4.26Å; Y516-V545 HydrophobicContact CE2-CG1 3.68Å; Y516-V545 HydrophobicContact CG-CG1 4.3Å; M519-V545 HydrophobicContact CB-CB 3.9Å; M519-V545 HydrophobicContact CB-CG1 4.01Å; M519-V545 HydrophobicContact CB-CG2 3.83Å; M519-V545 HydrophobicContact CG-CG2 4.37Å; K520-V545 HydrophobicContact CB-CG1 4Å; K520-V545 HydrophobicContact CD-CG1 3.94Å; F541-V545 WeakPolarHBondContact O-CB 3.34Å; F541-V545 PolarHBondContact O-N 2.88Å
546	N	95.9	Very high	87	Confident	52 Å²	52	55.4 Å²	55.4	28%	0.278	30%	0.3	S	S	.	.	H	α-helix	trans	-82.5	-13.3	172.6	-79.2	-70.1	0	0	0	114.7	K520 L524 V542 R543 L544 F548	K520-N546 PolarHBondContact NZ-OD1 3.31Å; L524-N546 HydrophobicContact CD2-CB 3.98Å; V542-N546 WeakPolarHBondContact O-CB 3.49Å; V542-N546 PolarHBondContact O-N 3.49Å; V542-N546 VanDerWaalsContact O-N 3.13Å; V542-N546 PolarHBondContact O-ND2 2.87Å; R543-N546 PolarHBondContact O-N 3.42Å; L544-N546 PolarHBondContact O-N 3.15Å; N546-F548 PolarHBondContact O-N 2.79Å
547	E	96.2	Very high	85.2	Confident	62 Å²	62	61.4 Å²	61.4	29%	0.29	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.7	168.4	-69.9	-80.3	178.8	0	0	113	R491 R543 L544 F576	R491-E547 VanDerWaalsContact CD-O 3.3Å; R491-E547 WeakPolarHBondContact CD-O 3.45Å; R491-E547 IonicContact CZ-OE2 3.19Å; R491-E547 PolarHBondContact NH1-O 3.38Å; R491-E547 IonicContact NH1-OE2 3.26Å; R491-E547 PolarHBondContact NH1-OE2 3.16Å; R491-E547 IonicContact NH2-OE2 2.75Å; R543-E547 PolarHBondContact O-N 2.75Å; L544-E547 WeakPolarHBondContact O-CB 3.49Å; L544-E547 PolarHBondContact O-N 3.46Å; L544-E547 VanDerWaalsContact O-N 3.1Å; E547-F576 HydrophobicContact CB-CE1 3.86Å; E547-F576 HydrophobicContact CB-CE2 3.9Å; E547-F576 HydrophobicContact CB-CZ 3.46Å; E547-F576 VanDerWaalsContact CB-CZ 3.46Å; E547-F576 HydrophobicContact CG-CD2 4.2Å; E547-F576 HydrophobicContact CG-CE1 4.48Å; E547-F576 HydrophobicContact CG-CE2 3.67Å; E547-F576 HydrophobicContact CG-CZ 3.81Å
548	F	95.3	Very high	83.1	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.018	37%	0.37	C	S	.	.			trans	-104.1	107.8	-179.6	-69.3	-97.5	0	0	0	111.6	L488 R491 L493 I510 Y516 L544 N546 F576	L488-F548 HydrophobicContact CD1-CB 4.34Å; R491-F548 HydrophobicContact CB-CD1 4.38Å; R491-F548 HydrophobicContact CB-CE1 3.8Å; R491-F548 HydrophobicContact CB-CZ 4.26Å; R491-F548 HydrophobicContact CG-CE1 4.43Å; L493-F548 HydrophobicContact CD2-CZ 4.5Å; I510-F548 HydrophobicContact CD1-CD2 4.13Å; I510-F548 HydrophobicContact CD1-CE2 3.44Å; I510-F548 VanDerWaalsContact CD1-CE2 3.44Å; I510-F548 HydrophobicContact CD1-CZ 3.68Å; I510-F548 HydrophobicContact CG1-CE2 4.32Å; I510-F548 HydrophobicContact CG2-CD1 4.13Å; I510-F548 HydrophobicContact CG2-CD2 4.11Å; I510-F548 HydrophobicContact CG2-CE1 4.32Å; I510-F548 HydrophobicContact CG2-CE2 4.34Å; I510-F548 HydrophobicContact CG2-CG 4.02Å; I510-F548 HydrophobicContact CG2-CZ 4.44Å; Y516-F548 HydrophobicContact CE2-CB 4.4Å; Y516-F548 PolarHBondContact OH-O 2.89Å; L544-F548 HydrophobicContact CD1-CE2 4.4Å; L544-F548 WeakPolarHBondContact O-CD2 3.46Å; N546-F548 PolarHBondContact O-N 2.79Å; F548-F576 AromaticContact CE2-CE1 3.84Å; F548-F576 HydrophobicContact CE2-CE1 3.84Å; F548-F576 AromaticContact CE2-CZ 3.74Å; F548-F576 HydrophobicContact CE2-CZ 3.74Å; F548-F576 AromaticContact CZ-CE1 3.92Å; F548-F576 HydrophobicContact CZ-CE1 3.92Å; F548-F576 HydrophobicContact CZ-CZ 4.21Å
549	N	91.9	Very high	81	Confident	98 Å²	98	76 Å²	76	52%	0.524	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-77.3	159.4	173.9	-69.9	-51.9	0	0	0	111.7	L488 Q489	L488-N549 CarbonylContact C-O 3.55Å; L488-N549 WeakPolarHBondContact CA-O 3.4Å; Q489-N549 PolarHBondContact N-O 3.31Å
550	N	90.8	Very high	78.8	Confident	105 Å²	105	83.7 Å²	83.7	56%	0.561	44%	0.436	S	S	*	.	B	Isolated β-bridge	trans	-69.2	150.4	165.7	-68.6	-27.8	0	0	0	110.6	V486	V486-N550 WeakPolarHBondContact CG1-OD1 3.26Å
551	M	86	Confident	76.5	Confident	53 Å²	53	88.3 Å²	88.3	26%	0.261	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-57.1	135.2	171.7	-85.5	-69.4	-72.7	0	0	110.9	S487 Q489 V553	S487-M551 WeakPolarHBondContact O-CB 3.24Å; S487-M551 PolarHBondContact O-N 3.1Å; S487-M551 WeakPolarHBondContact OG-CB 3.35Å; S487-M551 WeakPolarHBondContact OG-CG 3.46Å; Q489-M551 HydrophobicContact CB-SD 4.23Å; Q489-M551 HydrophobicContact CG-SD 4.3Å; M551-V553 PolarHBondContact O-N 2.89Å
552	P	78.2	Confident	74.2	Confident	91 Å²	91	90.4 Å²	90.4	59%	0.591	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-57.8	127.1	171.3	-24.4	34.4	0	0	0	111.2	P554	P552-P554 WeakPolarHBondContact O-CD 3.42Å
553	V	67.3	Low	72	Confident	137 Å²	137	93.6 Å²	93.6	83%	0.83	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-68.1	123.7	178.7	-178.3	0	0	0	0	109.4	M551 S555	M551-V553 PolarHBondContact O-N 2.89Å; V553-S555 PolarHBondContact O-N 3.47Å
554	P	62.3	Low	69.8	Low	97 Å²	97	95.9 Å²	95.9	63%	0.63	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-61.1	129.2	175.9	-23.6	34.5	0	0	0	111.3	P552 K556	P552-P554 WeakPolarHBondContact O-CD 3.42Å; P554-K556 PolarHBondContact O-N 3.19Å
555	S	54.5	Low	67.6	Low	92 Å²	92	103.6 Å²	103.6	64%	0.643	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-65	134.9	174.9	44.5	0	0	0	0	110.7	V553 T557 K558	V553-S555 PolarHBondContact O-N 3.47Å; S555-T557 PolarHBondContact O-N 2.8Å; S555-K558 PolarHBondContact O-N 3.43Å
556	K	53.7	Low	65.3	Low	184 Å²	184	106.9 Å²	106.9	80%	0.8	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-57.2	-23.8	-164.1	-64.4	-176.3	179.3	-178.9	0	114.7	P554 K558	P554-K556 PolarHBondContact O-N 3.19Å; K556-K558 PolarHBondContact O-N 2.73Å
557	T	53.3	Low	63.3	Low	141 Å²	141	107.9 Å²	107.9	87%	0.865	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-64	-4.4	-175.4	-19.2	0	0	0	0	115.5	S555	S555-T557 PolarHBondContact O-N 2.8Å
558	K	51.3	Low	61.2	Low	170 Å²	170	114.1 Å²	114.1	74%	0.739	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-123.9	4.7	-173.6	-120.1	177.9	-175.9	177.4	0	116.3	S555 K556 Q560 V562	S555-K558 PolarHBondContact O-N 3.43Å; K556-K558 PolarHBondContact O-N 2.73Å; K558-Q560 PolarHBondContact O-N 3.22Å; K558-V562 WeakPolarHBondContact O-CG2 3.33Å
559	Q	51.6	Low	59.5	Low	144 Å²	144	118.7 Å²	118.7	67%	0.673	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-74.4	-13.9	-169.8	-81.4	-177.9	-48.2	0	0	116.3	T561	Q559-T561 PolarHBondContact O-N 3.45Å
560	Q	47.7	Very low	58.6	Low	192 Å²	192	115.3 Å²	115.3	90%	0.897	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-89	0.3	-161.6	-155.5	146.8	14.5	0	0	116.6	K558	K558-Q560 PolarHBondContact O-N 3.22Å
561	T	46.1	Very low	58.2	Low	123 Å²	123	118.7 Å²	118.7	76%	0.755	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-140.5	32	-176.2	50.9	0	0	0	0	114	Q559	Q559-T561 PolarHBondContact O-N 3.45Å
562	V	50.2	Low	58.4	Low	50 Å²	50	118.9 Å²	118.9	30%	0.303	64%	0.636	S	S	.	*			trans	-132.6	44.9	-164	-143.4	0	0	0	0	114.9	K558 K565 V566	K558-V562 WeakPolarHBondContact O-CG2 3.33Å; V562-K565 HydrophobicContact CG1-CB 3.67Å; V562-V566 HydrophobicContact CB-CG2 4.11Å; V562-V566 HydrophobicContact CG1-CG2 3.61Å; V562-V566 WeakPolarHBondContact O-CG2 3.25Å
563	G	49.9	Very low	59.1	Low	67 Å²	67	115 Å²	115	69%	0.691	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-72.5	168.2	0	0	0	0	0	111.8	K565	G563-K565 VanDerWaalsContact C-N 3.34Å; G563-K565 PolarHBondContact O-N 3.4Å
564	D	50.3	Low	60.4	Low	147 Å²	147	114 Å²	114	79%	0.786	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-13.3	-175.5	-59.9	-55.2	0	0	0	115
565	K	49.3	Very low	62.1	Low	162 Å²	162	111.6 Å²	111.6	70%	0.704	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-16.3	-170.3	-73.2	-176.7	-179.4	177.8	0	114.9	V562 G563 V567	V562-K565 HydrophobicContact CG1-CB 3.67Å; G563-K565 VanDerWaalsContact C-N 3.34Å; G563-K565 PolarHBondContact O-N 3.4Å; K565-V567 VanDerWaalsContact C-N 3.32Å
566	V	50.6	Low	64.1	Low	74 Å²	74	108.1 Å²	108.1	45%	0.448	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-66.9	-35.9	175.3	173.6	0	0	0	0	111.4	V562 K568 L837	V562-V566 HydrophobicContact CB-CG2 4.11Å; V562-V566 HydrophobicContact CG1-CG2 3.61Å; V562-V566 WeakPolarHBondContact O-CG2 3.25Å; V566-K568 PolarHBondContact O-N 2.8Å; V566-L837 HydrophobicContact CG1-CD2 4.22Å
567	V	52.4	Low	66.1	Low	73 Å²	73	101.8 Å²	101.8	44%	0.442	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-63.2	-16.7	-173.4	-171.3	0	0	0	0	113.3	K565 V850	K565-V567 VanDerWaalsContact C-N 3.32Å; V567-V850 HydrophobicContact CG1-CG1 3.98Å
568	K	52.3	Low	68	Low	193 Å²	193	95 Å²	95	84%	0.839	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-106.8	-9.3	-169.4	-74.6	-168.4	-179.9	-174.8	0	117.5	V566	V566-K568 PolarHBondContact O-N 2.8Å
569	D	60.5	Low	69.9	Low	99 Å²	99	89.6 Å²	89.6	53%	0.529	48%	0.477	S	S	.	.			trans	-131.3	55.2	179	-166	22.4	0	0	0	111.9	R571	D569-R571 IonicContact OD1-CZ 4Å; D569-R571 IonicContact OD1-NE 2.85Å; D569-R571 PolarHBondContact OD1-NE 3.34Å; D569-R571 IonicContact OD1-NH2 3.58Å; D569-R571 IonicContact OD2-CZ 3.4Å; D569-R571 IonicContact OD2-NE 3.34Å; D569-R571 PolarHBondContact OD2-NE 2.71Å; D569-R571 IonicContact OD2-NH2 2.78Å; D569-R571 PolarHBondContact OD2-NH2 2.85Å
570	I	72.1	Confident	71.8	Confident	28 Å²	28	83.8 Å²	83.8	14%	0.144	45%	0.449	C	S	.	.			trans	-65	134.7	157.4	-53.6	175.9	0	0	0	107.2	P490 P572 L837 L841 V850	P490-I570 HydrophobicContact CG-CG2 4.24Å; I570-P572 HydrophobicContact CG2-CG 4.31Å; I570-P572 WeakPolarHBondContact O-CD 3.27Å; I570-L837 HydrophobicContact CD1-CD1 3.27Å; I570-L837 HydrophobicContact CD1-CD2 4.27Å; I570-L837 HydrophobicContact CD1-CG 4.41Å; I570-L837 HydrophobicContact CG1-CD1 3.81Å; I570-L837 HydrophobicContact CG1-CD2 3.96Å; I570-L841 HydrophobicContact CD1-CD2 3.44Å; I570-L841 VanDerWaalsContact CD1-CD2 3.44Å; I570-V850 HydrophobicContact CD1-CG2 3.23Å; I570-V850 HydrophobicContact CG1-CG2 4.05Å
571	R	83.6	Confident	73.9	Confident	175 Å²	175	74.7 Å²	74.7	66%	0.66	41%	0.407	S	S	*	.			trans	-111.1	93.2	167.1	-60.9	-176.7	-173.9	-161.8	1.6	108.4	Q489 D569 G573	Q489-R571 PolarHBondContact NE2-O 2.89Å; D569-R571 IonicContact OD1-CZ 4Å; D569-R571 IonicContact OD1-NE 2.85Å; D569-R571 PolarHBondContact OD1-NE 3.34Å; D569-R571 IonicContact OD1-NH2 3.58Å; D569-R571 IonicContact OD2-CZ 3.4Å; D569-R571 IonicContact OD2-NE 3.34Å; D569-R571 PolarHBondContact OD2-NE 2.71Å; D569-R571 IonicContact OD2-NH2 2.78Å; D569-R571 PolarHBondContact OD2-NH2 2.85Å; R571-G573 PolarHBondContact O-N 2.96Å
572	P	90.1	Very high	75.9	Confident	58 Å²	58	69.4 Å²	69.4	38%	0.377	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-53.2	141.7	171	-23.8	34.2	0	0	0	109.7	P490 I570 V848	P490-P572 CarbonylContact O-C 3.5Å; P490-P572 WeakPolarHBondContact O-CA 3.49Å; P490-P572 WeakPolarHBondContact O-CB 3.11Å; I570-P572 HydrophobicContact CG2-CG 4.31Å; I570-P572 WeakPolarHBondContact O-CD 3.27Å; P572-V848 HydrophobicContact CB-CB 4.3Å; P572-V848 HydrophobicContact CB-CG2 4.4Å; P572-V848 HydrophobicContact CG-CB 3.95Å; P572-V848 HydrophobicContact CG-CG1 4.41Å
573	G	91.5	Very high	77.6	Confident	10 Å²	10	73.7 Å²	73.7	10%	0.103	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	156.6	168.6	0	0	0	0	0	110.1	P490 R571	P490-G573 PolarHBondContact O-N 3.18Å; R571-G573 PolarHBondContact O-N 2.96Å
574	V	95.3	Very high	79.3	Confident	116 Å²	116	70.8 Å²	70.8	70%	0.703	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.8	123.8	-178.5	-176.8	0	0	0	0	109.7	R491	R491-V574 VanDerWaalsContact CZ-O 3.3Å; R491-V574 PolarHBondContact NE-O 3.11Å; R491-V574 PolarHBondContact NH2-O 2.84Å
575	P	97.1	Very high	80.7	Confident	46 Å²	46	64 Å²	64	30%	0.299	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	150.1	179.7	28	-35	0	0	0	110.4	G492 I494 Q846	G492-P575 WeakPolarHBondContact O-CA 3.35Å; G492-P575 WeakPolarHBondContact O-CB 3.34Å; I494-P575 HydrophobicContact CG1-CB 4.15Å; P575-Q846 HydrophobicContact CB-CB 3.88Å; P575-Q846 HydrophobicContact CG-CB 4.21Å
576	F	96.9	Very high	81.9	Confident	19 Å²	19	60.2 Å²	60.2	8%	0.083	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.8	-174.6	71.7	-80.2	0	0	0	112	R491 G492 L493 I494 L544 E547 F548 P578	R491-F576 HydrophobicContact CB-CD1 4.41Å; R491-F576 HydrophobicContact CB-CE1 4.28Å; G492-F576 PolarHBondContact O-N 2.82Å; L493-F576 CarbonylContact C-O 3.37Å; L493-F576 WeakPolarHBondContact CA-O 3.32Å; L493-F576 HydrophobicContact CD2-CD1 4.14Å; L493-F576 HydrophobicContact CD2-CD2 4.42Å; L493-F576 HydrophobicContact CD2-CE1 3.55Å; L493-F576 HydrophobicContact CD2-CE2 3.85Å; L493-F576 HydrophobicContact CD2-CZ 3.39Å; I494-F576 PolarHBondContact N-O 2.93Å; L544-F576 HydrophobicContact CD1-CE2 4.23Å; L544-F576 HydrophobicContact CD1-CZ 4.01Å; E547-F576 HydrophobicContact CB-CE1 3.86Å; E547-F576 HydrophobicContact CB-CE2 3.9Å; E547-F576 HydrophobicContact CB-CZ 3.46Å; E547-F576 VanDerWaalsContact CB-CZ 3.46Å; E547-F576 HydrophobicContact CG-CD2 4.2Å; E547-F576 HydrophobicContact CG-CE1 4.48Å; E547-F576 HydrophobicContact CG-CE2 3.67Å; E547-F576 HydrophobicContact CG-CZ 3.81Å; F548-F576 AromaticContact CE2-CE1 3.84Å; F548-F576 HydrophobicContact CE2-CE1 3.84Å; F548-F576 AromaticContact CE2-CZ 3.74Å; F548-F576 HydrophobicContact CE2-CZ 3.74Å; F548-F576 AromaticContact CZ-CE1 3.92Å; F548-F576 HydrophobicContact CZ-CE1 3.92Å; F548-F576 HydrophobicContact CZ-CZ 4.21Å; F576-P578 HydrophobicContact CE2-CB 4.18Å
577	E	95.3	Very high	83	Confident	50 Å²	50	61.7 Å²	61.7	23%	0.234	32%	0.315	C	S	.	.			trans	-100.7	115.3	178.4	-167.7	-177.2	-175.4	0	0	109.8	I494 K496 T579 Y582	I494-E577 HydrophobicContact CB-CB 4.14Å; K496-E577 WeakPolarHBondContact CD-OE1 3.38Å; K496-E577 WeakPolarHBondContact CE-OE2 3.46Å; K496-E577 IonicContact NZ-OE1 3.83Å; K496-E577 IonicContact NZ-OE2 3.43Å; K496-E577 PolarHBondContact NZ-OE2 2.79Å; E577-T579 HydrophobicContact CB-CG2 4Å; E577-T579 HydrophobicContact CG-CG2 3.52Å; E577-T579 PolarHBondContact O-N 2.86Å; E577-Y582 HydrophobicContact CG-CD2 4.28Å; E577-Y582 HydrophobicContact CG-CE2 3.61Å
578	P	93.9	Very high	83.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.307	C	S	.	.			trans	-76.7	55.3	177	34	-36.2	0	0	0	111	L493 L506 L544 F576 Y580 I581 Y582	L493-P578 HydrophobicContact CD2-CG 4.16Å; L506-P578 HydrophobicContact CD1-CG 4.38Å; L544-P578 HydrophobicContact CD1-CB 4.2Å; F576-P578 HydrophobicContact CE2-CB 4.18Å; P578-Y580 PolarHBondContact O-N 3.44Å; P578-I581 HydrophobicContact CB-CB 4.4Å; P578-I581 HydrophobicContact CB-CG1 4.21Å; P578-I581 WeakPolarHBondContact O-CB 3.2Å; P578-I581 PolarHBondContact O-N 3.5Å; P578-Y582 HydrophobicContact CG-CE1 3.84Å; P578-Y582 HydrophobicContact CG-CE2 4.41Å; P578-Y582 PolarHBondContact O-N 2.9Å
579	T	92	Very high	84.5	Confident	56 Å²	56	60.5 Å²	60.5	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-53.1	-28.3	-174.8	53.4	0	0	0	0	113.9	E577 Y582 K583	E577-T579 HydrophobicContact CB-CG2 4Å; E577-T579 HydrophobicContact CG-CG2 3.52Å; E577-T579 PolarHBondContact O-N 2.86Å; T579-Y582 PolarHBondContact O-N 3.45Å; T579-K583 WeakPolarHBondContact O-CB 3.3Å; T579-K583 VanDerWaalsContact O-CG 3.28Å; T579-K583 WeakPolarHBondContact O-CG 3.45Å; T579-K583 PolarHBondContact O-N 2.69Å
580	Y	91.3	Very high	84.8	Confident	21 Å²	21	56.5 Å²	56.5	8%	0.082	29%	0.285	C	S	.	.	H	α-helix	trans	-71.1	-37.2	178	51	-98.2	0	0	0	112.2	N540 R543 L544 P578 L584	N540-Y580 HydrophobicContact CB-CD2 4.26Å; N540-Y580 VanDerWaalsContact OD1-CB 3.27Å; N540-Y580 WeakPolarHBondContact OD1-CB 3.34Å; N540-Y580 VanDerWaalsContact OD1-CD2 3.31Å; N540-Y580 WeakPolarHBondContact OD1-CD2 3.35Å; N540-Y580 PolarHBondContact OD1-O 2.89Å; R543-Y580 HydrophobicContact CB-CD2 4.47Å; R543-Y580 HydrophobicContact CB-CE2 4.07Å; R543-Y580 HydrophobicContact CG-CD1 4.45Å; R543-Y580 HydrophobicContact CG-CD2 4.37Å; R543-Y580 HydrophobicContact CG-CE1 4.08Å; R543-Y580 HydrophobicContact CG-CE2 4Å; L544-Y580 WeakPolarHBondContact CA-OH 3.2Å; L544-Y580 HydrophobicContact CB-CE2 4.21Å; P578-Y580 PolarHBondContact O-N 3.44Å; Y580-L584 VanDerWaalsContact O-CB 3.28Å; Y580-L584 WeakPolarHBondContact O-CB 3.45Å; Y580-L584 PolarHBondContact O-N 3.42Å
581	I	92	Very high	84.5	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-43.6	168.9	-60.4	-74.6	0	0	0	110.8	I502 L506 N540 F541 P578 K583 L584 L585 Y604	I502-I581 HydrophobicContact CG2-CG2 4.02Å; L506-I581 HydrophobicContact CD1-CG1 4.33Å; L506-I581 HydrophobicContact CD1-CG2 4.28Å; N540-I581 HydrophobicContact CB-CD1 3.86Å; F541-I581 HydrophobicContact CD2-CD1 4.03Å; F541-I581 HydrophobicContact CE2-CD1 3.83Å; F541-I581 HydrophobicContact CZ-CD1 4.44Å; P578-I581 HydrophobicContact CB-CB 4.4Å; P578-I581 HydrophobicContact CB-CG1 4.21Å; P578-I581 WeakPolarHBondContact O-CB 3.2Å; P578-I581 PolarHBondContact O-N 3.5Å; I581-K583 VanDerWaalsContact C-N 3.35Å; I581-K583 PolarHBondContact O-N 3.18Å; I581-L584 WeakPolarHBondContact O-CB 3.49Å; I581-L584 PolarHBondContact O-N 3.47Å; I581-L585 PolarHBondContact O-N 3.36Å; I581-Y604 WeakPolarHBondContact CG2-OH 3.39Å
582	Y	87.3	Confident	83.5	Confident	12 Å²	12	50 Å²	50	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-39.9	179.6	-54.2	-25.5	0	0	0	112	I494 W499 I502 N503 E577 P578 T579	I494-Y582 PolarHBondContact O-OH 2.91Å; W499-Y582 HydrophobicContact CB-CD1 4.31Å; W499-Y582 HydrophobicContact CB-CE1 3.6Å; W499-Y582 HydrophobicContact CB-CE2 4.5Å; W499-Y582 AromaticContact CD1-CD2 3.72Å; W499-Y582 AromaticContact CD1-CE1 3.91Å; W499-Y582 AromaticContact CD1-CE2 3.42Å; W499-Y582 VanDerWaalsContact CD1-CE2 3.42Å; W499-Y582 AromaticContact CD1-CZ 3.52Å; W499-Y582 AromaticContact CD2-CD1 3.94Å; W499-Y582 HydrophobicContact CD2-CD1 3.94Å; W499-Y582 HydrophobicContact CD2-CE1 4.15Å; W499-Y582 HydrophobicContact CD2-CG 4.14Å; W499-Y582 AromaticContact CE2-CG 3.89Å; W499-Y582 HydrophobicContact CE3-CD1 4.37Å; W499-Y582 AromaticContact CG-CD1 3.93Å; W499-Y582 HydrophobicContact CG-CD1 3.93Å; W499-Y582 HydrophobicContact CG-CD2 4.29Å; W499-Y582 AromaticContact CG-CE1 3.64Å; W499-Y582 HydrophobicContact CG-CE1 3.64Å; W499-Y582 HydrophobicContact CG-CE2 4.02Å; W499-Y582 HydrophobicContact CG-CG 4.25Å; W499-Y582 AromaticContact CG-CZ 3.68Å; W499-Y582 HydrophobicContact CZ2-CG 4.32Å; W499-Y582 AromaticContact NE1-CD2 3.59Å; W499-Y582 AromaticContact NE1-CE2 3.79Å; W499-Y582 AromaticContact NE1-CG 3.89Å; I502-Y582 HydrophobicContact CB-CE1 4.47Å; I502-Y582 HydrophobicContact CD1-CD1 3.92Å; I502-Y582 HydrophobicContact CD1-CE1 4.29Å; I502-Y582 HydrophobicContact CG2-CD1 4.4Å; I502-Y582 HydrophobicContact CG2-CE1 4.08Å; N503-Y582 PolarHBondContact ND2-OH 2.93Å; N503-Y582 PolarHBondContact OD1-OH 2.84Å; N503-Y582 VanDerWaalsContact OD1-OH 3.1Å; E577-Y582 HydrophobicContact CG-CD2 4.28Å; E577-Y582 HydrophobicContact CG-CE2 3.61Å; P578-Y582 HydrophobicContact CG-CE1 3.84Å; P578-Y582 HydrophobicContact CG-CE2 4.41Å; P578-Y582 PolarHBondContact O-N 2.9Å; T579-Y582 PolarHBondContact O-N 3.45Å
583	K	86.1	Confident	82.1	Confident	140 Å²	140	48.4 Å²	48.4	61%	0.609	26%	0.259	S	S	*	.	H	α-helix	trans	-68.6	-35.1	174.6	-76.3	175.3	176.3	-172.7	0	112.9	T579 I581 L585 T586 L587	T579-K583 WeakPolarHBondContact O-CB 3.3Å; T579-K583 VanDerWaalsContact O-CG 3.28Å; T579-K583 WeakPolarHBondContact O-CG 3.45Å; T579-K583 PolarHBondContact O-N 2.69Å; I581-K583 VanDerWaalsContact C-N 3.35Å; I581-K583 PolarHBondContact O-N 3.18Å; K583-L585 VanDerWaalsContact C-N 3.34Å; K583-L585 PolarHBondContact O-N 2.97Å; K583-T586 WeakPolarHBondContact O-CB 3.48Å; K583-T586 PolarHBondContact O-N 2.93Å; K583-L587 PolarHBondContact O-N 3.26Å
584	L	85.6	Confident	80.9	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-56.9	-46.3	-178.9	173.7	58.8	0	0	0	111.4	P536 M537 N540 Y580 I581 T586 L587 I588	P536-L584 HydrophobicContact CB-CD1 3.8Å; P536-L584 HydrophobicContact CG-CD1 4.36Å; M537-L584 HydrophobicContact SD-CD1 4.45Å; M537-L584 HydrophobicContact SD-CD2 3.64Å; M537-L584 HydrophobicContact SD-CG 4.1Å; N540-L584 HydrophobicContact CB-CD2 3.77Å; Y580-L584 VanDerWaalsContact O-CB 3.28Å; Y580-L584 WeakPolarHBondContact O-CB 3.45Å; Y580-L584 PolarHBondContact O-N 3.42Å; I581-L584 WeakPolarHBondContact O-CB 3.49Å; I581-L584 PolarHBondContact O-N 3.47Å; L584-T586 PolarHBondContact O-N 3.39Å; L584-L587 PolarHBondContact O-N 3.18Å; L584-L587 VanDerWaalsContact O-N 3.09Å; L584-I588 HydrophobicContact CD1-CD1 3.97Å; L584-I588 HydrophobicContact CD1-CG2 4.16Å; L584-I588 HydrophobicContact CG-CD1 3.88Å; L584-I588 VanDerWaalsContact O-CD1 3.26Å; L584-I588 WeakPolarHBondContact O-CD1 3.19Å; L584-I588 VanDerWaalsContact O-CG1 3.22Å; L584-I588 WeakPolarHBondContact O-CG1 3.4Å; L584-I588 PolarHBondContact O-N 2.92Å
585	L	79.1	Confident	79.4	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-54.8	-36.9	175	-68.2	177.7	0	0	0	112.9	W499 I502 I581 K583 K589 S590 L592 Y604 F607	W499-L585 HydrophobicContact CZ3-CD1 4.49Å; I502-L585 HydrophobicContact CD1-CD1 3.51Å; I502-L585 HydrophobicContact CG1-CD1 4.47Å; I581-L585 PolarHBondContact O-N 3.36Å; K583-L585 VanDerWaalsContact C-N 3.34Å; K583-L585 PolarHBondContact O-N 2.97Å; L585-K589 PolarHBondContact O-N 3.17Å; L585-S590 PolarHBondContact O-N 3.38Å; L585-L592 HydrophobicContact CD1-CB 4.24Å; L585-L592 HydrophobicContact CD2-CB 4.38Å; L585-L592 HydrophobicContact CD2-CD1 4.49Å; L585-Y604 HydrophobicContact CD1-CD2 4.38Å; L585-Y604 HydrophobicContact CD1-CE2 4.22Å; L585-Y604 HydrophobicContact CD2-CD2 4.38Å; L585-Y604 HydrophobicContact CD2-CE2 4.19Å; L585-F607 HydrophobicContact CD2-CD1 3.94Å; L585-F607 HydrophobicContact CD2-CE1 3.71Å; L585-F607 HydrophobicContact CD2-CZ 4.43Å
586	T	76.1	Confident	78	Confident	82 Å²	82	56.6 Å²	56.6	50%	0.503	29%	0.29	S	S	.	.	H	α-helix	trans	-72.6	-40.5	176.8	-46.9	0	0	0	0	112.7	K583 L584 K589 S593	K583-T586 WeakPolarHBondContact O-CB 3.48Å; K583-T586 PolarHBondContact O-N 2.93Å; L584-T586 PolarHBondContact O-N 3.39Å; T586-K589 PolarHBondContact O-N 3.11Å; T586-S593 WeakPolarHBondContact CA-OG 3.39Å; T586-S593 WeakPolarHBondContact CB-OG 3.44Å; T586-S593 PolarHBondContact N-OG 3.34Å; T586-S593 PolarHBondContact OG1-OG 2.84Å
587	L	73.1	Confident	77.1	Confident	106 Å²	106	61.2 Å²	61.2	56%	0.555	31%	0.307	S	S	*	.	H	α-helix	trans	-64.4	-42.4	179.3	-70.3	171.6	0	0	0	112	K583 L584 K589	K583-L587 PolarHBondContact O-N 3.26Å; L584-L587 PolarHBondContact O-N 3.18Å; L584-L587 VanDerWaalsContact O-N 3.09Å; L587-K589 PolarHBondContact O-N 2.86Å
588	I	71.3	Confident	76.4	Confident	55 Å²	55	60.6 Å²	60.6	28%	0.282	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	6.9	177.2	67	-149.2	0	0	0	113.5	M537 L584 S590 F607	M537-I588 HydrophobicContact SD-CD1 4.05Å; L584-I588 HydrophobicContact CD1-CD1 3.97Å; L584-I588 HydrophobicContact CD1-CG2 4.16Å; L584-I588 HydrophobicContact CG-CD1 3.88Å; L584-I588 VanDerWaalsContact O-CD1 3.26Å; L584-I588 WeakPolarHBondContact O-CD1 3.19Å; L584-I588 VanDerWaalsContact O-CG1 3.22Å; L584-I588 WeakPolarHBondContact O-CG1 3.4Å; L584-I588 PolarHBondContact O-N 2.92Å; I588-S590 PolarHBondContact O-N 2.95Å; I588-F607 HydrophobicContact CD1-CE1 3.57Å; I588-F607 HydrophobicContact CD1-CZ 3.4Å; I588-F607 VanDerWaalsContact CD1-CZ 3.4Å; I588-F607 HydrophobicContact CG1-CE1 4.36Å; I588-F607 HydrophobicContact CG1-CZ 3.75Å
589	K	65.3	Low	76.2	Confident	186 Å²	186	61 Å²	61	81%	0.809	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.1	175.8	-57.7	177.7	-177.6	171.6	0	114.2	L585 T586 L587	L585-K589 PolarHBondContact O-N 3.17Å; T586-K589 PolarHBondContact O-N 3.11Å; L587-K589 PolarHBondContact O-N 2.86Å
590	S	66.6	Low	76.2	Confident	14 Å²	14	60.2 Å²	60.2	10%	0.098	30%	0.299	C	S	.	.			trans	-63.6	146.5	176.2	-176.4	0	0	0	0	111.1	L585 I588 L592 S593	L585-S590 PolarHBondContact O-N 3.38Å; I588-S590 PolarHBondContact O-N 2.95Å; S590-L592 PolarHBondContact O-N 2.98Å; S590-L592 WeakPolarHBondContact OG-CB 3.2Å; S590-L592 WeakPolarHBondContact OG-CG 3.48Å; S590-L592 PolarHBondContact OG-N 2.81Å; S590-S593 VanDerWaalsContact O-CB 3.25Å; S590-S593 WeakPolarHBondContact O-CB 3.34Å; S590-S593 PolarHBondContact O-N 3.24Å
591	S	64.5	Low	76.4	Confident	68 Å²	68	59.2 Å²	59.2	48%	0.476	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-46.4	-41.2	165.5	39.2	0	0	0	0	111.5	S593 E603	S591-S593 PolarHBondContact O-N 3.46Å; S591-E603 PolarHBondContact OG-OE1 2.78Å
592	L	64.3	Low	76.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-64.1	-4.3	-179.8	-54	172	0	0	0	114.4	Y501 L585 S590 E599 E603 Y604 F607	Y501-L592 PolarHBondContact OH-O 2.83Å; L585-L592 HydrophobicContact CD1-CB 4.24Å; L585-L592 HydrophobicContact CD2-CB 4.38Å; L585-L592 HydrophobicContact CD2-CD1 4.49Å; S590-L592 PolarHBondContact O-N 2.98Å; S590-L592 WeakPolarHBondContact OG-CB 3.2Å; S590-L592 WeakPolarHBondContact OG-CG 3.48Å; S590-L592 PolarHBondContact OG-N 2.81Å; L592-E599 HydrophobicContact CB-CG 4.32Å; L592-E599 HydrophobicContact CD2-CB 3.63Å; L592-E599 HydrophobicContact CD2-CG 3.73Å; L592-E603 HydrophobicContact CD1-CG 4.49Å; L592-E603 HydrophobicContact CD2-CB 4.27Å; L592-E603 HydrophobicContact CD2-CG 3.96Å; L592-Y604 HydrophobicContact CD1-CD2 4.04Å; L592-F607 HydrophobicContact CD1-CB 3.89Å; L592-F607 HydrophobicContact CD1-CD1 4.41Å; L592-F607 HydrophobicContact CD1-CD2 4.47Å; L592-F607 HydrophobicContact CD1-CG 3.98Å
593	S	60.3	Low	76.8	Confident	23 Å²	23	63.5 Å²	63.5	16%	0.161	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-87.9	5.5	-178.7	-170.8	0	0	0	0	114.6	T586 S590 S591 K595	T586-S593 WeakPolarHBondContact CA-OG 3.39Å; T586-S593 WeakPolarHBondContact CB-OG 3.44Å; T586-S593 PolarHBondContact N-OG 3.34Å; T586-S593 PolarHBondContact OG1-OG 2.84Å; S590-S593 VanDerWaalsContact O-CB 3.25Å; S590-S593 WeakPolarHBondContact O-CB 3.34Å; S590-S593 PolarHBondContact O-N 3.24Å; S591-S593 PolarHBondContact O-N 3.46Å; S593-K595 PolarHBondContact O-N 3.45Å
594	E	66.7	Low	77.2	Confident	125 Å²	125	57 Å²	57	58%	0.584	29%	0.287	S	S	*	.			trans	-66.4	92.3	174.8	-70.5	-152.6	161.2	0	0	111.3	G596 R597	E594-G596 PolarHBondContact O-N 3.27Å; E594-R597 HydrophobicContact CB-CB 3.98Å; E594-R597 WeakPolarHBondContact O-CB 3.43Å; E594-R597 PolarHBondContact O-N 3.01Å; E594-R597 WeakPolarHBondContact OE2-CD 3.38Å
595	K	63.7	Low	77.8	Confident	185 Å²	185	56.7 Å²	56.7	80%	0.804	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	107.5	-168.6	-176.3	-176.9	177	-178.4	0	112.5	W499 S593	W499-K595 HydrophobicContact CZ2-CG 4.47Å; S593-K595 PolarHBondContact O-N 3.45Å
596	G	66.1	Low	78.5	Confident	34 Å²	34	57.3 Å²	57.3	35%	0.351	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-4	178.6	0	0	0	0	0	114.4	N498 E594	N498-G596 PolarHBondContact ND2-O 2.78Å; E594-G596 PolarHBondContact O-N 3.27Å
597	R	78.4	Confident	79.4	Confident	117 Å²	117	55.5 Å²	55.5	44%	0.442	28%	0.279	S	S	.	.			trans	-70.3	158.8	161.8	-148.1	-176.7	91.1	102.9	-3.5	109.4	E594 E599	E594-R597 HydrophobicContact CB-CB 3.98Å; E594-R597 WeakPolarHBondContact O-CB 3.43Å; E594-R597 PolarHBondContact O-N 3.01Å; E594-R597 WeakPolarHBondContact OE2-CD 3.38Å; R597-E599 WeakPolarHBondContact CB-OE1 3.29Å; R597-E599 IonicContact CZ-OE1 2.67Å; R597-E599 IonicContact CZ-OE2 3.46Å; R597-E599 IonicContact NE-OE1 3.41Å; R597-E599 PolarHBondContact NE-OE1 3.31Å; R597-E599 IonicContact NE-OE2 2.64Å; R597-E599 PolarHBondContact NE-OE2 3Å; R597-E599 IonicContact NH2-OE1 3.36Å; R597-E599 IonicContact NH2-OE2 2.99Å; R597-E599 PolarHBondContact NH2-OE2 3.49Å
598	Q	81.8	Confident	80.5	Confident	37 Å²	37	50.5 Å²	50.5	17%	0.173	25%	0.252	C	S	.	.			trans	-100.3	136.3	165.9	-75.4	-173.5	-1.3	0	0	108.4	N498 G826	N498-Q598 HydrophobicContact CB-CG 3.75Å; Q598-G826 PolarHBondContact NE2-O 2.87Å; Q598-G826 PolarHBondContact OE1-O 2.71Å
599	E	89.2	Confident	81.7	Confident	9 Å²	9	47.9 Å²	47.9	4%	0.042	24%	0.239	C	C	.	.			trans	-115.6	171.9	-177.1	-54.3	-58.2	148.6	0	0	111.3	Y501 L592 R597 Y828	Y501-E599 HydrophobicContact CD1-CB 3.99Å; Y501-E599 HydrophobicContact CD1-CG 4.41Å; Y501-E599 HydrophobicContact CD2-CB 3.93Å; Y501-E599 HydrophobicContact CE1-CB 3.71Å; Y501-E599 HydrophobicContact CE1-CG 3.66Å; Y501-E599 HydrophobicContact CE2-CB 3.68Å; Y501-E599 HydrophobicContact CE2-CG 4.02Å; Y501-E599 HydrophobicContact CG-CB 4.09Å; Y501-E599 VanDerWaalsContact CZ-CG 3.44Å; Y501-E599 WeakPolarHBondContact OH-CG 3.41Å; L592-E599 HydrophobicContact CB-CG 4.32Å; L592-E599 HydrophobicContact CD2-CB 3.63Å; L592-E599 HydrophobicContact CD2-CG 3.73Å; R597-E599 WeakPolarHBondContact CB-OE1 3.29Å; R597-E599 IonicContact CZ-OE1 2.67Å; R597-E599 IonicContact CZ-OE2 3.46Å; R597-E599 IonicContact NE-OE1 3.41Å; R597-E599 PolarHBondContact NE-OE1 3.31Å; R597-E599 IonicContact NE-OE2 2.64Å; R597-E599 PolarHBondContact NE-OE2 3Å; R597-E599 IonicContact NH2-OE1 3.36Å; R597-E599 IonicContact NH2-OE2 2.99Å; R597-E599 PolarHBondContact NH2-OE2 3.49Å; E599-Y828 WeakPolarHBondContact O-CE2 3.38Å; E599-Y828 PolarHBondContact O-OH 2.8Å
600	D	91.9	Very high	83.1	Confident	39 Å²	39	40.7 Å²	40.7	21%	0.209	21%	0.209	C	C	.	.			trans	-75.7	130.3	172.2	-162.1	-44.8	0	0	0	111.3	E602 E603 Y604 F767 Y866	D600-E602 VanDerWaalsContact C-N 3.3Å; D600-E602 PolarHBondContact O-N 3.47Å; D600-E602 PolarHBondContact OD1-N 2.97Å; D600-E603 HydrophobicContact CB-CB 3.93Å; D600-E603 PolarHBondContact O-N 2.88Å; D600-Y604 PolarHBondContact O-N 2.91Å; D600-Y604 VanDerWaalsContact O-N 3.1Å; D600-F767 VanDerWaalsContact OD2-CD2 3.29Å; D600-F767 WeakPolarHBondContact OD2-CD2 3.1Å; D600-Y866 VanDerWaalsContact CG-OH 3.3Å; D600-Y866 WeakPolarHBondContact OD1-CE1 3.27Å; D600-Y866 PolarHBondContact OD1-OH 2.8Å; D600-Y866 PolarHBondContact OD2-OH 2.82Å; D600-Y866 VanDerWaalsContact OD2-OH 3.06Å
601	A	94.8	Very high	84.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-71.2	-21.4	176.8	0	0	0	0	0	113.6	T505 L605 V816 Y828 Y866 L867	T505-A601 PolarHBondContact OG1-O 2.91Å; A601-L605 WeakPolarHBondContact O-CB 3.45Å; A601-L605 PolarHBondContact O-N 3.06Å; A601-V816 HydrophobicContact CB-CG1 4.43Å; A601-Y828 HydrophobicContact CB-CD1 3.82Å; A601-Y828 HydrophobicContact CB-CE1 3.48Å; A601-Y828 VanDerWaalsContact CB-CE1 3.48Å; A601-Y828 HydrophobicContact CB-CE2 4.42Å; A601-Y828 HydrophobicContact CB-CG 4.41Å; A601-Y828 PolarHBondContact N-OH 2.79Å; A601-Y866 HydrophobicContact CB-CD1 4.35Å; A601-Y866 HydrophobicContact CB-CE1 4.24Å; A601-L867 HydrophobicContact CB-CD1 4.49Å
602	E	95.2	Very high	86	Confident	22 Å²	22	37.6 Å²	37.6	10%	0.103	19%	0.191	C	C	.	.	H	α-helix	trans	-79.5	-41.3	169.6	-158	-130.4	-147.8	0	0	112.1	D600 Y604 L605 G606 T708 Q710 H763 Y866 L867	D600-E602 VanDerWaalsContact C-N 3.3Å; D600-E602 PolarHBondContact O-N 3.47Å; D600-E602 PolarHBondContact OD1-N 2.97Å; E602-Y604 VanDerWaalsContact C-N 3.27Å; E602-Y604 PolarHBondContact O-N 2.82Å; E602-L605 PolarHBondContact O-N 3.18Å; E602-G606 PolarHBondContact O-N 3.34Å; E602-T708 HydrophobicContact CG-CG2 4.03Å; E602-T708 VanDerWaalsContact OE1-CB 3.3Å; E602-T708 WeakPolarHBondContact OE1-CB 3.08Å; E602-T708 PolarHBondContact OE1-OG1 2.68Å; E602-Q710 WeakPolarHBondContact OE1-CG 3.37Å; E602-Q710 PolarHBondContact OE1-NE2 2.96Å; E602-Q710 PolarHBondContact OE2-NE2 3.01Å; E602-H763 HydrophobicContact CG-CB 4.11Å; E602-H763 IonicContact OE1-CE1 3.22Å; E602-H763 IonicContact OE1-CG 3.53Å; E602-H763 IonicContact OE1-ND1 3Å; E602-H763 PolarHBondContact OE1-ND1 3.15Å; E602-H763 IonicContact OE2-CE1 2.79Å; E602-H763 IonicContact OE2-ND1 3.59Å; E602-H763 PolarHBondContact OE2-ND1 3.06Å; E602-Y866 HydrophobicContact CB-CE1 4.36Å; E602-L867 HydrophobicContact CB-CD2 4Å; E602-L867 HydrophobicContact CG-CD2 3.98Å
603	E	93.3	Very high	87.5	Confident	81 Å²	81	38 Å²	38	38%	0.379	19%	0.192	S	C	.	.	H	α-helix	trans	-58.1	-44.7	174.1	-171.7	-175.8	157.8	0	0	109.8	S591 L592 D600 L605 G606 F607	S591-E603 PolarHBondContact OG-OE1 2.78Å; L592-E603 HydrophobicContact CD1-CG 4.49Å; L592-E603 HydrophobicContact CD2-CB 4.27Å; L592-E603 HydrophobicContact CD2-CG 3.96Å; D600-E603 HydrophobicContact CB-CB 3.93Å; D600-E603 PolarHBondContact O-N 2.88Å; E603-L605 PolarHBondContact O-N 3.3Å; E603-G606 PolarHBondContact O-N 2.81Å; E603-F607 WeakPolarHBondContact O-CB 3.41Å; E603-F607 PolarHBondContact O-N 3.34Å
604	Y	94.5	Very high	89.1	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-35.4	174	178	-106.7	0	0	0	114	Y501 I502 T505 L506 I581 L585 L592 D600 E602 T608	Y501-Y604 HydrophobicContact CD2-CD1 4.44Å; Y501-Y604 HydrophobicContact CD2-CG 4.02Å; Y501-Y604 HydrophobicContact CE2-CD2 4.17Å; Y501-Y604 AromaticContact CE2-CG 3.95Å; Y501-Y604 HydrophobicContact CE2-CG 3.95Å; I502-Y604 HydrophobicContact CB-CD1 4.46Å; I502-Y604 HydrophobicContact CB-CE1 4.1Å; I502-Y604 HydrophobicContact CD1-CE2 4.39Å; I502-Y604 HydrophobicContact CG1-CD1 4.29Å; I502-Y604 HydrophobicContact CG1-CD2 4.15Å; I502-Y604 HydrophobicContact CG1-CE1 4.2Å; I502-Y604 HydrophobicContact CG1-CE2 4.07Å; I502-Y604 HydrophobicContact CG1-CG 4.28Å; I502-Y604 HydrophobicContact CG2-CE1 3.9Å; I502-Y604 HydrophobicContact CG2-CE2 4.47Å; T505-Y604 HydrophobicContact CG2-CD1 3.8Å; T505-Y604 HydrophobicContact CG2-CE1 3.96Å; L506-Y604 HydrophobicContact CD2-CE1 4.32Å; L506-Y604 WeakPolarHBondContact CD2-OH 3.27Å; L506-Y604 HydrophobicContact CG-CE1 4.42Å; I581-Y604 WeakPolarHBondContact CG2-OH 3.39Å; L585-Y604 HydrophobicContact CD1-CD2 4.38Å; L585-Y604 HydrophobicContact CD1-CE2 4.22Å; L585-Y604 HydrophobicContact CD2-CD2 4.38Å; L585-Y604 HydrophobicContact CD2-CE2 4.19Å; L592-Y604 HydrophobicContact CD1-CD2 4.04Å; D600-Y604 PolarHBondContact O-N 2.91Å; D600-Y604 VanDerWaalsContact O-N 3.1Å; E602-Y604 VanDerWaalsContact C-N 3.27Å; E602-Y604 PolarHBondContact O-N 2.82Å; Y604-T608 VanDerWaalsContact O-CB 3.22Å; Y604-T608 WeakPolarHBondContact O-CB 3.47Å; Y604-T608 PolarHBondContact O-N 3Å; Y604-T608 PolarHBondContact O-OG1 3.09Å
605	L	97.1	Very high	90.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67	-48.1	174.1	175.2	64.9	0	0	0	111.4	T505 L509 A601 E602 E603 T608 L609 T708 V761 L867 Y869	T505-L605 HydrophobicContact CG2-CB 3.89Å; T505-L605 HydrophobicContact CG2-CD1 3.91Å; T505-L605 HydrophobicContact CG2-CG 4.47Å; L509-L605 HydrophobicContact CD1-CD1 4.12Å; L509-L605 HydrophobicContact CD2-CD1 3.93Å; L509-L605 HydrophobicContact CG-CD1 4.27Å; A601-L605 WeakPolarHBondContact O-CB 3.45Å; A601-L605 PolarHBondContact O-N 3.06Å; E602-L605 PolarHBondContact O-N 3.18Å; E603-L605 PolarHBondContact O-N 3.3Å; L605-T608 WeakPolarHBondContact O-CB 3.32Å; L605-T608 PolarHBondContact O-N 3.1Å; L605-L609 HydrophobicContact CD1-CD1 3.82Å; L605-L609 HydrophobicContact CD1-CG 3.94Å; L605-L609 HydrophobicContact CG-CD1 4.11Å; L605-L609 HydrophobicContact CG-CG 4.47Å; L605-L609 WeakPolarHBondContact O-CG 3.18Å; L605-L609 PolarHBondContact O-N 3.35Å; L605-T708 HydrophobicContact CD2-CG2 3.6Å; L605-T708 HydrophobicContact CG-CG2 4.37Å; L605-V761 HydrophobicContact CD2-CG1 3.86Å; L605-L867 HydrophobicContact CD2-CD1 4.1Å; L605-Y869 HydrophobicContact CD2-CE1 4.43Å
606	G	94.9	Very high	92	Very high	17 Å²	17	27 Å²	27	18%	0.175	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-49.2	177.6	0	0	0	0	0	110.9	E602 E603 T608 L609 N610	E602-G606 PolarHBondContact O-N 3.34Å; E603-G606 PolarHBondContact O-N 2.81Å; G606-T608 VanDerWaalsContact C-N 3.28Å; G606-T608 PolarHBondContact O-N 3.5Å; G606-L609 PolarHBondContact O-N 3.1Å; G606-N610 WeakPolarHBondContact O-CB 3.47Å; G606-N610 PolarHBondContact O-N 3.08Å; G606-N610 PolarHBondContact O-ND2 3.43Å; G606-N610 PolarHBondContact O-OD1 3.31Å
607	F	94.3	Very high	93.3	Very high	44 Å²	44	26 Å²	26	19%	0.193	13%	0.128	C	C	.	.	H	α-helix	trans	-52	-46.3	171.8	-176.3	-87.7	0	0	0	112.1	M537 L585 I588 L592 E603 G611	M537-F607 HydrophobicContact CE-CD1 4.35Å; M537-F607 HydrophobicContact CE-CE1 4.1Å; M537-F607 HydrophobicContact SD-CE1 4.15Å; L585-F607 HydrophobicContact CD2-CD1 3.94Å; L585-F607 HydrophobicContact CD2-CE1 3.71Å; L585-F607 HydrophobicContact CD2-CZ 4.43Å; I588-F607 HydrophobicContact CD1-CE1 3.57Å; I588-F607 HydrophobicContact CD1-CZ 3.4Å; I588-F607 VanDerWaalsContact CD1-CZ 3.4Å; I588-F607 HydrophobicContact CG1-CE1 4.36Å; I588-F607 HydrophobicContact CG1-CZ 3.75Å; L592-F607 HydrophobicContact CD1-CB 3.89Å; L592-F607 HydrophobicContact CD1-CD1 4.41Å; L592-F607 HydrophobicContact CD1-CD2 4.47Å; L592-F607 HydrophobicContact CD1-CG 3.98Å; E603-F607 WeakPolarHBondContact O-CB 3.41Å; E603-F607 PolarHBondContact O-N 3.34Å; F607-G611 PolarHBondContact O-N 2.96Å
608	T	96	Very high	94.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-50.1	179.5	-66.9	0	0	0	0	112.8	L509 F541 Y604 L605 G606 L612	L509-T608 HydrophobicContact CD1-CG2 3.84Å; F541-T608 HydrophobicContact CE1-CG2 3.96Å; F541-T608 HydrophobicContact CE2-CG2 3.79Å; F541-T608 HydrophobicContact CZ-CG2 3.31Å; Y604-T608 VanDerWaalsContact O-CB 3.22Å; Y604-T608 WeakPolarHBondContact O-CB 3.47Å; Y604-T608 PolarHBondContact O-N 3Å; Y604-T608 PolarHBondContact O-OG1 3.09Å; L605-T608 WeakPolarHBondContact O-CB 3.32Å; L605-T608 PolarHBondContact O-N 3.1Å; G606-T608 VanDerWaalsContact C-N 3.28Å; G606-T608 PolarHBondContact O-N 3.5Å; T608-L612 HydrophobicContact CG2-CD1 4.01Å; T608-L612 WeakPolarHBondContact O-CB 3.24Å; T608-L612 WeakPolarHBondContact O-CG 3.45Å; T608-L612 PolarHBondContact O-N 3.21Å; T608-L612 VanDerWaalsContact O-N 3.08Å
609	L	97.1	Very high	94.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-71.3	-37	-177.4	-64.3	179.7	0	0	0	111.7	L509 M515 L605 G606 H613 I680 F684 F707	L509-L609 HydrophobicContact CD2-CD2 4.34Å; M515-L609 HydrophobicContact CE-CD2 3.81Å; L605-L609 HydrophobicContact CD1-CD1 3.82Å; L605-L609 HydrophobicContact CD1-CG 3.94Å; L605-L609 HydrophobicContact CG-CD1 4.11Å; L605-L609 HydrophobicContact CG-CG 4.47Å; L605-L609 WeakPolarHBondContact O-CG 3.18Å; L605-L609 PolarHBondContact O-N 3.35Å; G606-L609 PolarHBondContact O-N 3.1Å; L609-H613 VanDerWaalsContact O-CB 3.26Å; L609-H613 WeakPolarHBondContact O-CB 3.46Å; L609-H613 PolarHBondContact O-N 3.07Å; L609-I680 HydrophobicContact CB-CG2 4.22Å; L609-I680 HydrophobicContact CD2-CG2 4.08Å; L609-F684 HydrophobicContact CD1-CB 4.3Å; L609-F684 HydrophobicContact CD1-CD1 4.39Å; L609-F684 HydrophobicContact CD1-CD2 4.34Å; L609-F684 HydrophobicContact CD1-CG 4.12Å; L609-F684 HydrophobicContact CD2-CD2 3.81Å; L609-F684 HydrophobicContact CD2-CE2 3.77Å; L609-F684 HydrophobicContact CD2-CG 4.39Å; L609-F684 HydrophobicContact CD2-CZ 4.32Å; L609-F707 HydrophobicContact CB-CD2 3.82Å; L609-F707 HydrophobicContact CB-CE2 4.07Å; L609-F707 HydrophobicContact CB-CG 4.12Å; L609-F707 HydrophobicContact CD1-CB 3.82Å; L609-F707 HydrophobicContact CD1-CD1 4.49Å; L609-F707 HydrophobicContact CD1-CG 4.09Å
610	N	94.4	Very high	94.8	Very high	35 Å²	35	21.2 Å²	21.2	19%	0.187	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-50.6	173.5	-64.3	-9.1	0	0	0	110.7	I9 G606 L612 H613 E614 F707	I9-N610 HydrophobicContact CD1-CB 4.44Å; I9-N610 VanDerWaalsContact CD1-OD1 3.31Å; I9-N610 WeakPolarHBondContact CD1-OD1 3.32Å; G606-N610 WeakPolarHBondContact O-CB 3.47Å; G606-N610 PolarHBondContact O-N 3.08Å; G606-N610 PolarHBondContact O-ND2 3.43Å; G606-N610 PolarHBondContact O-OD1 3.31Å; N610-L612 VanDerWaalsContact C-N 3.33Å; N610-L612 PolarHBondContact O-N 3.27Å; N610-H613 WeakPolarHBondContact O-CA 3.42Å; N610-H613 WeakPolarHBondContact O-CB 3.22Å; N610-H613 PolarHBondContact O-N 3.4Å; N610-E614 WeakPolarHBondContact O-CG 3.4Å; N610-E614 PolarHBondContact O-N 3.37Å; N610-F707 WeakPolarHBondContact OD1-CD2 3.37Å; N610-F707 VanDerWaalsContact OD1-CE2 3.3Å; N610-F707 WeakPolarHBondContact OD1-CE2 3.46Å
611	G	94.8	Very high	94.8	Very high	18 Å²	18	25.8 Å²	25.8	19%	0.186	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-38.9	179.5	0	0	0	0	0	113.5	F607 E615	F607-G611 PolarHBondContact O-N 2.96Å; G611-E615 WeakPolarHBondContact O-CG 3.48Å; G611-E615 PolarHBondContact O-N 2.75Å
612	L	96.8	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-70.3	-33.1	173	-69.2	168.9	0	0	0	112.7	M515 M519 M537 I538 F541 T608 N610 M616 I680	M515-L612 HydrophobicContact CE-CD1 3.69Å; M519-L612 HydrophobicContact CE-CD1 3.93Å; M519-L612 HydrophobicContact CE-CD2 3.97Å; M537-L612 HydrophobicContact CB-CD2 3.75Å; M537-L612 HydrophobicContact CB-CG 4.2Å; I538-L612 HydrophobicContact CG1-CD2 3.95Å; F541-L612 HydrophobicContact CB-CD2 4.37Å; F541-L612 HydrophobicContact CD1-CD1 4.35Å; F541-L612 HydrophobicContact CD2-CD1 4.32Å; F541-L612 HydrophobicContact CD2-CD2 4.33Å; F541-L612 HydrophobicContact CG-CD1 4.2Å; F541-L612 HydrophobicContact CG-CD2 4.4Å; T608-L612 HydrophobicContact CG2-CD1 4.01Å; T608-L612 WeakPolarHBondContact O-CB 3.24Å; T608-L612 WeakPolarHBondContact O-CG 3.45Å; T608-L612 PolarHBondContact O-N 3.21Å; T608-L612 VanDerWaalsContact O-N 3.08Å; N610-L612 VanDerWaalsContact C-N 3.33Å; N610-L612 PolarHBondContact O-N 3.27Å; L612-M616 WeakPolarHBondContact O-CB 3.4Å; L612-M616 VanDerWaalsContact O-CG 3.24Å; L612-M616 WeakPolarHBondContact O-CG 3.26Å; L612-M616 PolarHBondContact O-N 3.17Å; L612-I680 HydrophobicContact CB-CD1 3.88Å; L612-I680 HydrophobicContact CB-CG1 3.84Å; L612-I680 HydrophobicContact CD1-CD1 4.27Å
613	H	96	Very high	94.1	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.032	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-49.5	174.8	172.6	74	0	0	0	111.5	L609 N610 E615 M616 L617 V676 T678 I680 T681 F707	L609-H613 VanDerWaalsContact O-CB 3.26Å; L609-H613 WeakPolarHBondContact O-CB 3.46Å; L609-H613 PolarHBondContact O-N 3.07Å; N610-H613 WeakPolarHBondContact O-CA 3.42Å; N610-H613 WeakPolarHBondContact O-CB 3.22Å; N610-H613 PolarHBondContact O-N 3.4Å; H613-E615 PolarHBondContact O-N 3.37Å; H613-M616 PolarHBondContact O-N 2.87Å; H613-L617 WeakPolarHBondContact O-CB 3.43Å; H613-L617 PolarHBondContact O-N 3.19Å; H613-V676 PolarHBondContact CE1-O 3.47Å; H613-T678 PolarHBondContact ND1-OG1 3.27Å; H613-I680 HydrophobicContact CB-CB 4.44Å; H613-T681 WeakPolarHBondContact ND1-CG2 3.33Å; H613-F707 HydrophobicContact CB-CE2 4.42Å; H613-F707 HydrophobicContact CB-CZ 4.01Å
614	E	94.4	Very high	93.5	Very high	81 Å²	81	31.7 Å²	31.7	38%	0.379	17%	0.167	S	C	.	.	H	α-helix	trans	-62.7	-42.2	-179.9	-67.5	-49.4	137.2	0	0	112.6	N610 M616 L617 A618	N610-E614 WeakPolarHBondContact O-CG 3.4Å; N610-E614 PolarHBondContact O-N 3.37Å; E614-M616 PolarHBondContact O-N 3.19Å; E614-L617 PolarHBondContact O-N 3.24Å; E614-A618 WeakPolarHBondContact O-CB 3.41Å; E614-A618 PolarHBondContact O-N 3.42Å
615	E	95.7	Very high	91.9	Very high	22 Å²	22	37 Å²	37	10%	0.103	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-41.4	175.7	-74.2	-179.9	-168.8	0	0	111.9	T535 P536 M537 I538 G611 H613 L619	T535-E615 VanDerWaalsContact C-CD 3.46Å; T535-E615 WeakPolarHBondContact CA-OE2 3.48Å; T535-E615 WeakPolarHBondContact CB-OE2 3.43Å; T535-E615 HydrophobicContact CG2-CB 4.27Å; P536-E615 WeakPolarHBondContact CD-OE1 3.37Å; P536-E615 WeakPolarHBondContact CG-OE1 3.42Å; M537-E615 WeakPolarHBondContact CA-OE2 3.43Å; M537-E615 VanDerWaalsContact CB-CD 3.49Å; M537-E615 VanDerWaalsContact CB-OE1 3.25Å; M537-E615 WeakPolarHBondContact CB-OE1 3.45Å; M537-E615 WeakPolarHBondContact CB-OE2 3.44Å; M537-E615 WeakPolarHBondContact CG-OE1 3.37Å; M537-E615 VanDerWaalsContact N-CD 3.31Å; M537-E615 PolarHBondContact N-OE1 2.82Å; M537-E615 PolarHBondContact N-OE2 2.93Å; I538-E615 HydrophobicContact CD1-CB 3.87Å; I538-E615 HydrophobicContact CG1-CB 4.15Å; I538-E615 WeakPolarHBondContact CG1-OE2 3.33Å; I538-E615 PolarHBondContact N-OE2 2.8Å; G611-E615 WeakPolarHBondContact O-CG 3.48Å; G611-E615 PolarHBondContact O-N 2.75Å; H613-E615 PolarHBondContact O-N 3.37Å; E615-L619 VanDerWaalsContact O-CG 3.32Å; E615-L619 WeakPolarHBondContact O-CG 3.49Å; E615-L619 PolarHBondContact O-N 2.87Å
616	M	95.9	Very high	89.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-36.7	174	-69.3	-177.3	-163.8	0	0	111.8	I476 L518 M519 I538 L612 H613 E614 L619 K620 T678 P679 I680	I476-M616 HydrophobicContact CD1-CE 4.01Å; I476-M616 HydrophobicContact CD1-CG 3.91Å; I476-M616 HydrophobicContact CD1-SD 3.83Å; I476-M616 HydrophobicContact CG1-CG 4.32Å; I476-M616 HydrophobicContact CG2-CB 4.08Å; I476-M616 HydrophobicContact CG2-CG 4.22Å; L518-M616 HydrophobicContact CD2-CE 4.09Å; L518-M616 HydrophobicContact CD2-SD 4.5Å; L518-M616 HydrophobicContact CG-CE 4.44Å; M519-M616 HydrophobicContact CE-CE 3.9Å; I538-M616 HydrophobicContact CD1-CE 4.09Å; I538-M616 HydrophobicContact CD1-CG 3.71Å; I538-M616 HydrophobicContact CG1-CE 4.13Å; L612-M616 WeakPolarHBondContact O-CB 3.4Å; L612-M616 VanDerWaalsContact O-CG 3.24Å; L612-M616 WeakPolarHBondContact O-CG 3.26Å; L612-M616 PolarHBondContact O-N 3.17Å; H613-M616 PolarHBondContact O-N 2.87Å; E614-M616 PolarHBondContact O-N 3.19Å; M616-L619 PolarHBondContact O-N 2.81Å; M616-K620 WeakPolarHBondContact O-CG 3.27Å; M616-K620 PolarHBondContact O-N 3Å; M616-T678 HydrophobicContact CB-CG2 4.29Å; M616-P679 HydrophobicContact SD-CB 4.02Å; M616-P679 HydrophobicContact SD-CG 4.09Å; M616-I680 HydrophobicContact CE-CD1 3.98Å; M616-I680 HydrophobicContact CE-CG1 4.05Å; M616-I680 HydrophobicContact SD-CD1 4.29Å; M616-I680 HydrophobicContact SD-CG1 3.79Å
617	L	93.9	Very high	87.4	Confident	14 Å²	14	53.4 Å²	53.4	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-43	176.8	-179.5	56.2	0	0	0	111.7	H613 E614 L619 K620 K621 V676 T678	H613-L617 WeakPolarHBondContact O-CB 3.43Å; H613-L617 PolarHBondContact O-N 3.19Å; E614-L617 PolarHBondContact O-N 3.24Å; L617-L619 VanDerWaalsContact C-N 3.33Å; L617-L619 PolarHBondContact O-N 3.39Å; L617-K620 PolarHBondContact O-N 2.92Å; L617-K621 HydrophobicContact CD1-CD 4.48Å; L617-K621 HydrophobicContact CG-CD 4.33Å; L617-K621 VanDerWaalsContact O-CG 3.32Å; L617-K621 WeakPolarHBondContact O-CG 3.43Å; L617-K621 PolarHBondContact O-N 2.85Å; L617-V676 HydrophobicContact CD1-CB 3.72Å; L617-V676 HydrophobicContact CD1-CG1 3.53Å; L617-V676 HydrophobicContact CD1-CG2 4.09Å; L617-T678 HydrophobicContact CB-CG2 4.19Å
618	A	94.1	Very high	84.9	Confident	34 Å²	34	59.7 Å²	59.7	28%	0.281	30%	0.304	S	S	.	.	H	α-helix	trans	-61.8	-39.3	174.2	0	0	0	0	0	112.1	V463 E614	V463-A618 HydrophobicContact CB-CB 4.49Å; V463-A618 HydrophobicContact CG2-CB 4.39Å; E614-A618 WeakPolarHBondContact O-CB 3.41Å; E614-A618 PolarHBondContact O-N 3.42Å
619	L	94.3	Very high	82.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-50.4	171.7	-72.2	176.3	0	0	0	111.9	V463 A469 L472 A473 I476 T535 I538 E615 M616 L617 K621 L622	V463-L619 HydrophobicContact CG2-CD2 4.07Å; A469-L619 HydrophobicContact CB-CD2 3.75Å; A469-L619 WeakPolarHBondContact O-CD2 2.96Å; L472-L619 HydrophobicContact CB-CD1 3.78Å; L472-L619 HydrophobicContact CB-CD2 3.9Å; A473-L619 HydrophobicContact CB-CB 4.06Å; A473-L619 WeakPolarHBondContact CB-O 3.47Å; I476-L619 HydrophobicContact CG1-CD1 3.93Å; T535-L619 HydrophobicContact CG2-CD1 4Å; T535-L619 HydrophobicContact CG2-CD2 3.99Å; T535-L619 HydrophobicContact CG2-CG 3.94Å; I538-L619 HydrophobicContact CD1-CD1 3.99Å; E615-L619 VanDerWaalsContact O-CG 3.32Å; E615-L619 WeakPolarHBondContact O-CG 3.49Å; E615-L619 PolarHBondContact O-N 2.87Å; M616-L619 PolarHBondContact O-N 2.81Å; L617-L619 VanDerWaalsContact C-N 3.33Å; L617-L619 PolarHBondContact O-N 3.39Å; L619-K621 PolarHBondContact O-N 3.42Å; L619-L622 WeakPolarHBondContact O-CB 3.42Å; L619-L622 PolarHBondContact O-N 2.92Å
620	K	91.3	Very high	79.1	Confident	27 Å²	27	72.8 Å²	72.8	12%	0.117	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-34.9	-179.7	-66.7	-171.8	84.6	172.5	0	112.1	I476 E477 M616 L617 L622 I623 L624 R677 T678	I476-K620 HydrophobicContact CG2-CD 4.22Å; I476-K620 HydrophobicContact CG2-CG 3.91Å; E477-K620 VanDerWaalsContact CD-CE 3.41Å; E477-K620 WeakPolarHBondContact OE1-CE 3.2Å; E477-K620 IonicContact OE1-NZ 3.59Å; E477-K620 PolarHBondContact OE1-NZ 2.95Å; E477-K620 VanDerWaalsContact OE1-NZ 3.16Å; E477-K620 WeakPolarHBondContact OE2-CE 3.44Å; E477-K620 IonicContact OE2-NZ 2.67Å; M616-K620 WeakPolarHBondContact O-CG 3.27Å; M616-K620 PolarHBondContact O-N 3Å; L617-K620 PolarHBondContact O-N 2.92Å; K620-L622 PolarHBondContact O-N 2.67Å; K620-L622 VanDerWaalsContact O-N 3.16Å; K620-I623 VanDerWaalsContact O-CG1 3.25Å; K620-I623 WeakPolarHBondContact O-CG1 3.3Å; K620-I623 PolarHBondContact O-N 3.39Å; K620-I623 VanDerWaalsContact O-N 3.14Å; K620-L624 WeakPolarHBondContact O-CG 3.44Å; K620-L624 PolarHBondContact O-N 2.74Å; K620-L624 VanDerWaalsContact O-N 3.13Å; K620-R677 PolarHBondContact NZ-O 3.29Å; K620-T678 HydrophobicContact CD-CG2 4.34Å
621	K	91.9	Very high	76.5	Confident	136 Å²	136	77 Å²	77	59%	0.591	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-12.8	174.3	-74.6	169.9	177.9	173.7	0	114.8	L617 L619	L617-K621 HydrophobicContact CD1-CD 4.48Å; L617-K621 HydrophobicContact CG-CD 4.33Å; L617-K621 VanDerWaalsContact O-CG 3.32Å; L617-K621 WeakPolarHBondContact O-CG 3.43Å; L617-K621 PolarHBondContact O-N 2.85Å; L619-K621 PolarHBondContact O-N 3.42Å
622	L	89.6	Confident	73.5	Confident	62 Å²	62	82 Å²	82	33%	0.325	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-21.2	172.2	-72.6	-175.5	0	0	0	114.7	V463 A469 L619 K620	V463-L622 HydrophobicContact CG1-CD1 4.47Å; V463-L622 HydrophobicContact CG1-CD2 4.09Å; V463-L622 HydrophobicContact CG1-CG 4.19Å; V463-L622 HydrophobicContact CG2-CD1 3.87Å; V463-L622 HydrophobicContact CG2-CG 4.26Å; A469-L622 HydrophobicContact CB-CD1 3.77Å; L619-L622 WeakPolarHBondContact O-CB 3.42Å; L619-L622 PolarHBondContact O-N 2.92Å; K620-L622 PolarHBondContact O-N 2.67Å; K620-L622 VanDerWaalsContact O-N 3.16Å
623	I	85.4	Confident	71.1	Confident	66 Å²	66	87.6 Å²	87.6	34%	0.338	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-17.5	-170.6	56	166.4	0	0	0	113.6	A473 E477 K620	A473-I623 HydrophobicContact CB-CB 4.47Å; A473-I623 HydrophobicContact CB-CD1 3.97Å; A473-I623 HydrophobicContact CB-CG1 4.05Å; A473-I623 HydrophobicContact CB-CG2 3.63Å; A473-I623 WeakPolarHBondContact O-CD1 3.44Å; E477-I623 HydrophobicContact CB-CD1 3.65Å; E477-I623 HydrophobicContact CG-CD1 4.07Å; K620-I623 VanDerWaalsContact O-CG1 3.25Å; K620-I623 WeakPolarHBondContact O-CG1 3.3Å; K620-I623 PolarHBondContact O-N 3.39Å; K620-I623 VanDerWaalsContact O-N 3.14Å
624	L	80.4	Confident	68.1	Low	98 Å²	98	94.7 Å²	94.7	51%	0.513	51%	0.505	S	S	.	.	S	Bend	trans	-58.8	132.8	164.6	-73.8	167.2	0	0	0	108.7	K620 Q626	K620-L624 WeakPolarHBondContact O-CG 3.44Å; K620-L624 PolarHBondContact O-N 2.74Å; K620-L624 VanDerWaalsContact O-N 3.13Å; L624-Q626 PolarHBondContact O-N 3.48Å; L624-Q626 VanDerWaalsContact O-N 3.12Å
625	P	62.3	Low	65.1	Low	115 Å²	115	93.9 Å²	93.9	75%	0.747	52%	0.519	S	S	*	.			trans	-55.2	122.4	171.8	-23.6	33.7	0	0	0	109.2	E627	P625-E627 PolarHBondContact O-N 3.48Å
626	Q	53.6	Low	62.5	Low	179 Å²	179	99.2 Å²	99.2	84%	0.836	56%	0.556	S	S	*	*			trans	-65.9	110.5	167	-167.8	173.8	20.8	0	0	106.3	L624 E628	L624-Q626 PolarHBondContact O-N 3.48Å; L624-Q626 VanDerWaalsContact O-N 3.12Å; Q626-E628 PolarHBondContact O-N 2.93Å
627	E	43.1	Very low	59.4	Low	183 Å²	183	107.8 Å²	107.8	86%	0.855	60%	0.596	S	S	*	*			trans	-62.8	103.6	167.4	-71.1	-163.4	159.5	0	0	107.2	P625 K629	P625-E627 PolarHBondContact O-N 3.48Å; E627-K629 PolarHBondContact O-N 3.18Å
628	E	41.4	Very low	56.9	Low	176 Å²	176	112.4 Å²	112.4	82%	0.822	63%	0.629	S	S	*	*			trans	-63.4	89.9	169	-72.5	-167.3	138.7	0	0	107.7	Q626 A630	Q626-E628 PolarHBondContact O-N 2.93Å; E628-A630 PolarHBondContact O-N 2.95Å
629	K	39.6	Very low	53.9	Low	204 Å²	204	120.2 Å²	120.2	89%	0.887	66%	0.66	S	S	*	*			trans	-66.8	80	169.6	-155.3	166	-169.5	168.9	0	106.8	E627	E627-K629 PolarHBondContact O-N 3.18Å
630	A	32.3	Very low	51.1	Low	71 Å²	71	129.8 Å²	129.8	59%	0.587	70%	0.704	S	S	*	*			trans	-56.3	127.9	-160.4	0	0	0	0	0	110.5	E628 T632	E628-A630 PolarHBondContact O-N 2.95Å; A630-T632 PolarHBondContact O-N 2.81Å
631	P	39.4	Very low	48.2	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	74%	0.742	S	S	*	*			trans	-69.6	96.8	-176.1	27.6	-34	0	0	0	109.5	P633	P631-P633 WeakPolarHBondContact O-CD 3.39Å; P631-P633 VanDerWaalsContact O-N 3.14Å
632	T	32.6	Very low	45.2	Very low	125 Å²	125	130 Å²	130	77%	0.767	75%	0.753	S	S	*	*			trans	-60.1	111.6	177.8	46.2	0	0	0	0	109.8	A630 N634	A630-T632 PolarHBondContact O-N 2.81Å; T632-N634 PolarHBondContact O-N 3Å
633	P	45.4	Very low	42.5	Very low	117 Å²	117	136.2 Å²	136.2	76%	0.76	78%	0.78	S	S	*	*			trans	-88.5	103.2	-170.2	32.8	-30.4	0	0	0	110.4	P631	P631-P633 WeakPolarHBondContact O-CD 3.39Å; P631-P633 VanDerWaalsContact O-N 3.14Å
634	N	33.3	Very low	40.2	Very low	155 Å²	155	142 Å²	142	83%	0.829	81%	0.806	S	S	*	*			trans	-140.4	105.5	167.4	-82.9	-48.5	0	0	0	111.1	T632	T632-N634 PolarHBondContact O-N 3Å
635	G	32.4	Very low	37.8	Very low	65 Å²	65	145.6 Å²	145.6	67%	0.67	83%	0.826	S	S	*	*			trans	-77.9	-170.3	144.9	0	0	0	0	0	110.3
636	P	40.6	Very low	36.4	Very low	134 Å²	134	143.1 Å²	143.1	87%	0.87	82%	0.821	S	S	*	*			cis	-123	-158.1	30.7	41.7	-28.5	0	0	0	114.3
637	E	31.1	Very low	35.4	Very low	180 Å²	180	139.2 Å²	139.2	84%	0.841	82%	0.819	S	S	*	*			trans	-89.8	146.3	-155.6	-58.3	164.8	122.5	0	0	115.8
638	S	40.4	Very low	34.8	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	82%	0.822	S	S	*	*			trans	16.5	122.5	151.2	61.7	0	0	0	0	121.3
639	Q	30.8	Very low	34.5	Very low	198 Å²	198	139.1 Å²	139.1	93%	0.925	82%	0.816	S	S	*	*			trans	-138.8	164.1	140.4	-72.3	-158.2	-8.6	0	0	111
640	Q	35.6	Very low	34.2	Very low	200 Å²	200	138.4 Å²	138.4	94%	0.935	82%	0.816	S	S	*	*			trans	-108.2	145.2	-176.2	-68.6	177.9	-70.9	0	0	112.6
641	G	31	Very low	34.5	Very low	89 Å²	89	142.1 Å²	142.1	92%	0.918	82%	0.822	S	S	*	*			trans	94.4	138.9	152.5	0	0	0	0	0	116.6
642	G	29.3	Very low	34.3	Very low	79 Å²	79	145.7 Å²	145.7	81%	0.814	83%	0.827	S	S	*	*			trans	153.3	133.7	178.3	0	0	0	0	0	110.3
643	E	33.2	Very low	34.1	Very low	192 Å²	192	142.7 Å²	142.7	90%	0.897	82%	0.822	S	S	*	*			trans	-107.8	155.7	-175.6	-69.1	169	130.8	0	0	112
644	E	35.3	Very low	33.6	Very low	189 Å²	189	141.1 Å²	141.1	88%	0.883	81%	0.813	S	S	*	*			trans	62.3	124.6	154.1	-72.4	-173.9	161.6	0	0	123.3
645	D	31.7	Very low	33.8	Very low	173 Å²	173	142 Å²	142	93%	0.925	81%	0.813	S	S	*	*			trans	83	146.1	135.3	-157.8	25.2	0	0	0	120.8
646	G	33	Very low	34.5	Very low	62 Å²	62	144.5 Å²	144.5	64%	0.639	81%	0.81	S	S	*	*			trans	118.8	93.8	165	0	0	0	0	0	117.4
647	A	31.6	Very low	34.7	Very low	98 Å²	98	142 Å²	142	81%	0.81	79%	0.787	S	S	*	*			trans	67.4	94.6	156.7	0	0	0	0	0	118.8	K649	A647-K649 PolarHBondContact O-N 3.4Å
648	E	31.3	Very low	35.9	Very low	195 Å²	195	142.7 Å²	142.7	91%	0.911	78%	0.782	S	S	*	*			trans	-58.1	117.8	153.4	-66.7	170.7	153.5	0	0	110.2
649	K	34.8	Very low	37	Very low	161 Å²	161	141.5 Å²	141.5	70%	0.7	76%	0.764	S	S	*	*			trans	-94.7	104.1	157.4	-103.1	-175.2	142.6	-136.1	0	107.7	A647 E651	A647-K649 PolarHBondContact O-N 3.4Å; K649-E651 VanDerWaalsContact C-N 3.32Å; K649-E651 IonicContact NZ-OE1 3.5Å; K649-E651 IonicContact NZ-OE2 3.16Å; K649-E651 PolarHBondContact NZ-OE2 3.42Å; K649-E651 PolarHBondContact O-N 3.01Å
650	E	33.8	Very low	38.6	Very low	190 Å²	190	135.8 Å²	135.8	89%	0.888	74%	0.738	S	S	*	*			trans	-64.9	95.7	160	-68.1	-177.5	152.8	0	0	108.3
651	E	38.5	Very low	39.8	Very low	149 Å²	149	130.8 Å²	130.8	70%	0.696	72%	0.72	S	S	*	*			trans	-117	40	171.5	-156.6	145	-146.7	0	0	109.4	K649 G653	K649-E651 VanDerWaalsContact C-N 3.32Å; K649-E651 IonicContact NZ-OE1 3.5Å; K649-E651 IonicContact NZ-OE2 3.16Å; K649-E651 PolarHBondContact NZ-OE2 3.42Å; K649-E651 PolarHBondContact O-N 3.01Å; E651-G653 PolarHBondContact O-N 2.79Å
652	E	34.2	Very low	41.1	Very low	197 Å²	197	127.7 Å²	127.7	92%	0.921	69%	0.689	S	S	*	*			trans	-70.2	63.5	167.6	-73.3	-156.9	140.8	0	0	111.2	S654	E652-S654 VanDerWaalsContact C-N 3.26Å; E652-S654 PolarHBondContact O-N 3.13Å
653	G	29.3	Very low	42.1	Very low	63 Å²	63	129 Å²	129	65%	0.649	68%	0.683	S	S	*	*			trans	-75.8	77.4	163.6	0	0	0	0	0	110.3	E651 E655	E651-G653 PolarHBondContact O-N 2.79Å; G653-E655 PolarHBondContact O-N 2.94Å
654	S	35.3	Very low	43.2	Very low	83 Å²	83	131.4 Å²	131.4	58%	0.58	68%	0.684	S	S	*	*			trans	-61.2	118.1	168.9	-178.2	0	0	0	0	109.4	E652 D656 E657	E652-S654 VanDerWaalsContact C-N 3.26Å; E652-S654 PolarHBondContact O-N 3.13Å; S654-D656 PolarHBondContact O-N 3.35Å; S654-E657 PolarHBondContact O-N 3.36Å
655	E	37	Very low	44.4	Very low	175 Å²	175	129.3 Å²	129.3	82%	0.818	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-11.8	-167.2	-58.2	-171.8	131.1	0	0	113.4	G653 W658	G653-E655 PolarHBondContact O-N 2.94Å; E655-W658 PolarHBondContact O-NE1 3.04Å
656	D	47.1	Very low	45.9	Very low	116 Å²	116	126.8 Å²	126.8	62%	0.62	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-6.8	-178.5	-63.2	-55.7	0	0	0	115.3	S654 W658	S654-D656 PolarHBondContact O-N 3.35Å; D656-W658 PolarHBondContact O-N 3.1Å
657	E	44.8	Very low	47.3	Very low	82 Å²	82	126.4 Å²	126.4	38%	0.383	65%	0.645	S	S	.	*			trans	-84.6	76	-176.7	-163	163	119.6	0	0	113.6	S654 E659 V669 R671	S654-E657 PolarHBondContact O-N 3.36Å; E657-E659 PolarHBondContact O-N 2.69Å; E657-V669 VanDerWaalsContact CD-CG1 3.42Å; E657-V669 HydrophobicContact CG-CG1 3.54Å; E657-V669 WeakPolarHBondContact OE1-CG1 3.44Å; E657-R671 IonicContact OE2-CZ 3.54Å; E657-R671 VanDerWaalsContact OE2-CZ 3.26Å; E657-R671 IonicContact OE2-NE 3.24Å; E657-R671 PolarHBondContact OE2-NE 3.17Å; E657-R671 IonicContact OE2-NH2 2.6Å; E657-R671 PolarHBondContact OE2-NH2 3.04Å
658	W	55.9	Low	48.8	Very low	194 Å²	194	122.5 Å²	122.5	74%	0.735	61%	0.612	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.7	118.5	-179.9	-68.8	85.3	0	0	0	113.4	E655 D656 Q660 T670	E655-W658 PolarHBondContact O-NE1 3.04Å; D656-W658 PolarHBondContact O-N 3.1Å; W658-Q660 PolarHBondContact O-N 3.43Å; W658-T670 PolarHBondContact O-N 2.93Å
659	E	64.4	Low	50.8	Low	86 Å²	86	114.4 Å²	114.4	40%	0.402	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.8	105.1	169.3	-71.8	-134.3	113.2	0	0	111.6	E657 V661 K698	E657-E659 PolarHBondContact O-N 2.69Å; E659-V661 PolarHBondContact O-N 2.89Å; E659-K698 VanDerWaalsContact CD-NZ 3.34Å; E659-K698 IonicContact OE1-NZ 2.74Å; E659-K698 PolarHBondContact OE1-NZ 2.86Å; E659-K698 IonicContact OE2-NZ 3.51Å; E659-K698 PolarHBondContact OE2-NZ 2.77Å
660	Q	64.4	Low	52.7	Low	79 Å²	79	107.4 Å²	107.4	37%	0.369	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.5	172.6	-170.9	170.4	4.4	0	0	110.8	W658 G662 S668 T670 R689	W658-Q660 PolarHBondContact O-N 3.43Å; Q660-G662 PolarHBondContact O-N 3.32Å; Q660-S668 PolarHBondContact N-O 3.22Å; Q660-S668 PolarHBondContact O-N 2.86Å; Q660-T670 WeakPolarHBondContact CB-OG1 3.31Å; Q660-R689 VanDerWaalsContact OE1-CZ 3.27Å
661	V	59.4	Low	54.7	Low	94 Å²	94	103 Å²	103	57%	0.57	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	104.4	172.9	-171.6	0	0	0	0	109.8	E659	E659-V661 PolarHBondContact O-N 2.89Å
662	G	58.5	Low	56.3	Low	24 Å²	24	101.8 Å²	101.8	25%	0.247	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	168.7	175.5	0	0	0	0	0	113.6	Q660 R664 N665 K666	Q660-G662 PolarHBondContact O-N 3.32Å; G662-R664 PolarHBondContact O-N 3.15Å; G662-N665 PolarHBondContact O-N 3.49Å; G662-N665 VanDerWaalsContact O-N 3.14Å; G662-K666 PolarHBondContact N-O 2.98Å
663	P	51.5	Low	57.7	Low	107 Å²	107	94 Å²	94	70%	0.695	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	132.9	176.8	-24.9	34.4	0	0	0	112
664	R	55.3	Low	59.2	Low	242 Å²	242	98.4 Å²	98.4	91%	0.913	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	32	-171.6	-48.4	172.2	171.3	166.6	-4.2	115.3	G662 K666	G662-R664 PolarHBondContact O-N 3.15Å; R664-K666 PolarHBondContact O-N 3.25Å
665	N	60.7	Low	60.8	Low	145 Å²	145	95.6 Å²	95.6	78%	0.775	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	28.3	173.2	-60.2	11.9	0	0	0	114.5	G662	G662-N665 PolarHBondContact O-N 3.49Å; G662-N665 VanDerWaalsContact O-N 3.14Å
666	K	62.3	Low	63	Low	121 Å²	121	90 Å²	90	53%	0.526	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115.1	168	-78.4	-173.7	155.1	-160.9	0	109.2	G662 R664 E699	G662-K666 PolarHBondContact N-O 2.98Å; R664-K666 PolarHBondContact O-N 3.25Å; K666-E699 IonicContact NZ-OE1 3.74Å; K666-E699 PolarHBondContact NZ-OE1 3.45Å
667	T	63.5	Low	65.1	Low	53 Å²	53	89.7 Å²	89.7	33%	0.325	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.9	169	51.5	0	0	0	0	110
668	S	62.6	Low	67.5	Low	17 Å²	17	85.8 Å²	85.8	12%	0.119	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.8	174.4	177.4	0	0	0	0	109.3	Q660 T670 E699	Q660-S668 PolarHBondContact N-O 3.22Å; Q660-S668 PolarHBondContact O-N 2.86Å; S668-T670 PolarHBondContact O-N 3.49Å; S668-E699 VanDerWaalsContact CA-O 3.22Å; S668-E699 WeakPolarHBondContact CA-O 3.3Å; S668-E699 VanDerWaalsContact CB-O 3.29Å; S668-E699 WeakPolarHBondContact CB-O 3.35Å; S668-E699 PolarHBondContact OG-O 3.13Å
669	V	73.7	Confident	69.4	Low	24 Å²	24	76.7 Å²	76.7	15%	0.145	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	118.2	174	165.9	0	0	0	0	108.1	E657 R671 E699 A701	E657-V669 VanDerWaalsContact CD-CG1 3.42Å; E657-V669 HydrophobicContact CG-CG1 3.54Å; E657-V669 WeakPolarHBondContact OE1-CG1 3.44Å; V669-R671 HydrophobicContact CG1-CG 4.32Å; V669-E699 PolarHBondContact N-O 3.3Å; V669-A701 PolarHBondContact O-N 3.38Å
670	T	74.6	Confident	71	Confident	14 Å²	14	72.6 Å²	72.6	9%	0.086	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	107.4	177.2	-59.2	0	0	0	0	109.6	W658 Q660 S668 A701 L703	W658-T670 PolarHBondContact O-N 2.93Å; Q660-T670 WeakPolarHBondContact CB-OG1 3.31Å; S668-T670 PolarHBondContact O-N 3.49Å; T670-A701 CarbonylContact C-O 3.6Å; T670-A701 WeakPolarHBondContact CA-O 3.37Å; T670-A701 HydrophobicContact CG2-CB 4.31Å; T670-L703 HydrophobicContact CG2-CD1 4.32Å; T670-L703 HydrophobicContact CG2-CG 4.15Å
671	R	75.9	Confident	72.5	Confident	97 Å²	97	68.9 Å²	68.9	37%	0.366	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141.1	170.8	-65.6	-176.6	176.4	-163.2	-4.5	109.8	E17 E657 V669 A701 T702 L703	E17-R671 IonicContact OE1-NH1 3.33Å; E17-R671 PolarHBondContact OE1-NH1 2.86Å; E657-R671 IonicContact OE2-CZ 3.54Å; E657-R671 VanDerWaalsContact OE2-CZ 3.26Å; E657-R671 IonicContact OE2-NE 3.24Å; E657-R671 PolarHBondContact OE2-NE 3.17Å; E657-R671 IonicContact OE2-NH2 2.6Å; E657-R671 PolarHBondContact OE2-NH2 3.04Å; V669-R671 HydrophobicContact CG1-CG 4.32Å; R671-A701 PolarHBondContact N-O 2.82Å; R671-T702 WeakPolarHBondContact O-CA 3.46Å; R671-L703 PolarHBondContact O-N 3.31Å
672	Q	71.3	Confident	74.3	Confident	124 Å²	124	66.8 Å²	66.8	58%	0.579	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.9	178.2	174.8	172.3	-34	0	0	108.7	L703	Q672-L703 HydrophobicContact CB-CB 4.26Å; Q672-L703 HydrophobicContact CB-CD1 4.44Å; Q672-L703 HydrophobicContact CG-CB 4.23Å; Q672-L703 HydrophobicContact CG-CD1 4.43Å
673	A	63.7	Low	76.2	Confident	33 Å²	33	65.6 Å²	65.6	27%	0.273	32%	0.324	S	S	.	.			trans	-76.8	145.1	169.2	0	0	0	0	0	110.2	F675	A673-F675 PolarHBondContact O-N 3.35Å
674	D	60.9	Low	78.4	Confident	156 Å²	156	60.5 Å²	60.5	83%	0.834	29%	0.291	S	S	*	.			trans	-60	101.6	178.2	-105.1	-28.1	0	0	0	111.7
675	F	69.7	Low	80.4	Confident	25 Å²	25	49.1 Å²	49.1	11%	0.11	25%	0.248	C	C	.	.			trans	-112.3	83.4	-178	-168.4	-113	0	0	0	111.5	A673 R677 T681 H687 P705	A673-F675 PolarHBondContact O-N 3.35Å; F675-R677 PolarHBondContact O-N 2.9Å; F675-T681 HydrophobicContact CE1-CG2 4Å; F675-T681 HydrophobicContact CE2-CG2 3.51Å; F675-T681 VanDerWaalsContact CZ-CB 3.43Å; F675-T681 HydrophobicContact CZ-CG2 3.21Å; F675-H687 AromaticContact CD1-CE1 3.26Å; F675-H687 WeakPolarHBondContact CD1-CE1 3.26Å; F675-H687 AromaticContact CD1-NE2 3.28Å; F675-H687 VanDerWaalsContact CD1-NE2 3.28Å; F675-H687 WeakPolarHBondContact CD1-NE2 3.31Å; F675-H687 AromaticContact CE1-CE1 3.62Å; F675-H687 AromaticContact CE1-NE2 3.85Å; F675-H687 AromaticContact CG-NE2 3.59Å; F675-P705 HydrophobicContact CD1-CB 4.39Å; F675-P705 HydrophobicContact CD2-CB 3.29Å; F675-P705 HydrophobicContact CD2-CG 3.58Å; F675-P705 HydrophobicContact CE1-CB 4.33Å; F675-P705 HydrophobicContact CE2-CB 3.25Å; F675-P705 HydrophobicContact CE2-CG 3.92Å; F675-P705 HydrophobicContact CG-CB 3.86Å; F675-P705 HydrophobicContact CG-CG 4.27Å; F675-P705 HydrophobicContact CZ-CB 3.76Å
676	V	82.9	Confident	82.1	Confident	57 Å²	57	42.2 Å²	42.2	35%	0.345	21%	0.211	S	C	.	.			trans	-68.9	130	-179.6	-172.3	0	0	0	0	110.5	H613 L617 T678	H613-V676 PolarHBondContact CE1-O 3.47Å; L617-V676 HydrophobicContact CD1-CB 3.72Å; L617-V676 HydrophobicContact CD1-CG1 3.53Å; L617-V676 HydrophobicContact CD1-CG2 4.09Å; V676-T678 PolarHBondContact O-N 3.3Å
677	R	90	Very high	83.6	Confident	109 Å²	109	37.2 Å²	37.2	41%	0.411	19%	0.19	S	C	.	.			trans	-77.1	122.6	-178.7	-58.9	-166.5	77.8	108.1	1.5	111.9	K620 F675 D682 E755	K620-R677 PolarHBondContact NZ-O 3.29Å; F675-R677 PolarHBondContact O-N 2.9Å; R677-D682 IonicContact CZ-OD1 2.74Å; R677-D682 IonicContact NE-OD1 3.61Å; R677-D682 PolarHBondContact NE-OD1 3.22Å; R677-D682 IonicContact NH2-OD1 2.68Å; R677-D682 PolarHBondContact NH2-OD1 3.19Å; R677-E755 IonicContact CZ-OE1 2.86Å; R677-E755 IonicContact NH1-OE1 3.44Å; R677-E755 PolarHBondContact NH1-OE1 3.22Å; R677-E755 IonicContact NH1-OE2 3.48Å; R677-E755 IonicContact NH2-OE1 3.45Å; R677-E755 PolarHBondContact NH2-OE1 2.85Å
678	T	95.4	Very high	85.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.			trans	-127	161.8	171.4	77.1	0	0	0	0	109.2	H613 M616 L617 K620 V676 I680 T681 D682	H613-T678 PolarHBondContact ND1-OG1 3.27Å; M616-T678 HydrophobicContact CB-CG2 4.29Å; L617-T678 HydrophobicContact CB-CG2 4.19Å; K620-T678 HydrophobicContact CD-CG2 4.34Å; V676-T678 PolarHBondContact O-N 3.3Å; T678-I680 PolarHBondContact O-N 3.26Å; T678-T681 PolarHBondContact N-OG1 2.83Å; T678-T681 PolarHBondContact O-N 3.06Å; T678-T681 PolarHBondContact O-OG1 2.77Å; T678-T681 VanDerWaalsContact O-OG1 3.06Å; T678-D682 PolarHBondContact O-N 3.08Å
679	P	97.3	Very high	86.6	Confident	4 Å²	4	36 Å²	36	3%	0.026	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.8	178.9	-29.3	37.1	0	0	0	115.1	I476 V479 L481 L518 M616 I683	I476-P679 HydrophobicContact CG2-CG 4.12Å; V479-P679 HydrophobicContact CG1-CB 4.01Å; V479-P679 HydrophobicContact CG1-CG 3.47Å; V479-P679 VanDerWaalsContact CG1-CG 3.47Å; L481-P679 HydrophobicContact CD2-CB 4.36Å; L518-P679 HydrophobicContact CD1-CB 3.67Å; L518-P679 HydrophobicContact CD1-CG 4.26Å; L518-P679 HydrophobicContact CD2-CB 3.64Å; L518-P679 HydrophobicContact CG-CB 4.32Å; M616-P679 HydrophobicContact SD-CB 4.02Å; M616-P679 HydrophobicContact SD-CG 4.09Å; P679-I683 WeakPolarHBondContact O-CD1 3.3Å; P679-I683 WeakPolarHBondContact O-CG1 3.49Å; P679-I683 PolarHBondContact O-N 3.39Å
680	I	97.7	Very high	87.5	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-44.6	172.7	-57.1	-60.6	0	0	0	111.4	M515 L518 M519 L609 L612 H613 M616 T678 D682 I683 F684 F707	M515-I680 HydrophobicContact CE-CD1 4.12Å; M515-I680 HydrophobicContact SD-CD1 4.12Å; L518-I680 HydrophobicContact CD2-CD1 3.91Å; M519-I680 HydrophobicContact CE-CD1 4.15Å; L609-I680 HydrophobicContact CB-CG2 4.22Å; L609-I680 HydrophobicContact CD2-CG2 4.08Å; L612-I680 HydrophobicContact CB-CD1 3.88Å; L612-I680 HydrophobicContact CB-CG1 3.84Å; L612-I680 HydrophobicContact CD1-CD1 4.27Å; H613-I680 HydrophobicContact CB-CB 4.44Å; M616-I680 HydrophobicContact CE-CD1 3.98Å; M616-I680 HydrophobicContact CE-CG1 4.05Å; M616-I680 HydrophobicContact SD-CD1 4.29Å; M616-I680 HydrophobicContact SD-CG1 3.79Å; T678-I680 PolarHBondContact O-N 3.26Å; I680-D682 VanDerWaalsContact C-N 3.31Å; I680-I683 PolarHBondContact O-N 2.75Å; I680-F684 HydrophobicContact CG2-CD2 4.26Å; I680-F684 PolarHBondContact O-N 3.22Å; I680-F707 HydrophobicContact CG2-CE1 3.77Å; I680-F707 HydrophobicContact CG2-CZ 3.87Å
681	T	96.1	Very high	88.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.7	-26.9	177	54.7	0	0	0	0	112.2	H613 F675 T678 I683 G685 F707	H613-T681 WeakPolarHBondContact ND1-CG2 3.33Å; F675-T681 HydrophobicContact CE1-CG2 4Å; F675-T681 HydrophobicContact CE2-CG2 3.51Å; F675-T681 VanDerWaalsContact CZ-CB 3.43Å; F675-T681 HydrophobicContact CZ-CG2 3.21Å; T678-T681 PolarHBondContact N-OG1 2.83Å; T678-T681 PolarHBondContact O-N 3.06Å; T678-T681 PolarHBondContact O-OG1 2.77Å; T678-T681 VanDerWaalsContact O-OG1 3.06Å; T681-I683 VanDerWaalsContact C-N 3.31Å; T681-I683 PolarHBondContact O-N 3.04Å; T681-G685 WeakPolarHBondContact O-CA 3.3Å; T681-G685 PolarHBondContact O-N 3.19Å; T681-F707 HydrophobicContact CG2-CE1 3.53Å; T681-F707 HydrophobicContact CG2-CZ 3.61Å
682	D	96.9	Very high	89	Confident	50 Å²	50	31.7 Å²	31.7	27%	0.267	16%	0.163	S	C	.	.	H	α-helix	trans	-72.6	-17.6	170	-69.6	-42.8	0	0	0	114.2	L481 R677 T678 I680 P758	L481-D682 HydrophobicContact CD1-CB 3.63Å; R677-D682 IonicContact CZ-OD1 2.74Å; R677-D682 IonicContact NE-OD1 3.61Å; R677-D682 PolarHBondContact NE-OD1 3.22Å; R677-D682 IonicContact NH2-OD1 2.68Å; R677-D682 PolarHBondContact NH2-OD1 3.19Å; T678-D682 PolarHBondContact O-N 3.08Å; I680-D682 VanDerWaalsContact C-N 3.31Å; D682-P758 WeakPolarHBondContact O-CG 3.08Å
683	I	98.1	Very high	89.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-93.6	-53.2	173.6	-64.4	165.6	0	0	0	111.6	L481 P514 L518 P679 I680 T681 P758 V759	L481-I683 HydrophobicContact CD1-CG1 3.69Å; L481-I683 HydrophobicContact CD2-CD1 3.87Å; L481-I683 HydrophobicContact CD2-CG1 3.91Å; L481-I683 HydrophobicContact CG-CG1 4.42Å; P514-I683 HydrophobicContact CB-CD1 4.08Å; P514-I683 HydrophobicContact CB-CG1 4.03Å; P514-I683 HydrophobicContact CG-CD1 4.46Å; P514-I683 HydrophobicContact CG-CG1 4.25Å; P514-I683 HydrophobicContact CG-CG2 3.84Å; L518-I683 HydrophobicContact CB-CD1 4.46Å; L518-I683 HydrophobicContact CD2-CD1 3.81Å; P679-I683 WeakPolarHBondContact O-CD1 3.3Å; P679-I683 WeakPolarHBondContact O-CG1 3.49Å; P679-I683 PolarHBondContact O-N 3.39Å; I680-I683 PolarHBondContact O-N 2.75Å; T681-I683 VanDerWaalsContact C-N 3.31Å; T681-I683 PolarHBondContact O-N 3.04Å; I683-P758 WeakPolarHBondContact O-CD 3.41Å; I683-V759 HydrophobicContact CG2-CB 3.97Å; I683-V759 HydrophobicContact CG2-CG2 3.79Å; I683-V759 PolarHBondContact O-N 3.33Å
684	F	98.3	Very high	90.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-111.3	-14.3	-167.2	-60.2	-81.9	0	0	0	113.8	L509 M515 L609 I680 G686 F707 P757 V759 V761	L509-F684 HydrophobicContact CD2-CE1 4.26Å; L509-F684 HydrophobicContact CD2-CZ 3.79Å; M515-F684 HydrophobicContact CB-CE2 4.38Å; M515-F684 HydrophobicContact CB-CZ 4.23Å; M515-F684 HydrophobicContact CE-CE2 3.91Å; M515-F684 HydrophobicContact CE-CZ 4.38Å; M515-F684 HydrophobicContact CG-CE2 4.47Å; M515-F684 HydrophobicContact CG-CZ 4.44Å; M515-F684 HydrophobicContact SD-CE2 4.14Å; L609-F684 HydrophobicContact CD1-CB 4.3Å; L609-F684 HydrophobicContact CD1-CD1 4.39Å; L609-F684 HydrophobicContact CD1-CD2 4.34Å; L609-F684 HydrophobicContact CD1-CG 4.12Å; L609-F684 HydrophobicContact CD2-CD2 3.81Å; L609-F684 HydrophobicContact CD2-CE2 3.77Å; L609-F684 HydrophobicContact CD2-CG 4.39Å; L609-F684 HydrophobicContact CD2-CZ 4.32Å; I680-F684 HydrophobicContact CG2-CD2 4.26Å; I680-F684 PolarHBondContact O-N 3.22Å; F684-G686 PolarHBondContact O-N 3.39Å; F684-F707 HydrophobicContact CB-CD1 3.8Å; F684-F707 HydrophobicContact CB-CE1 4.47Å; F684-P757 WeakPolarHBondContact O-CB 3.49Å; F684-V759 HydrophobicContact CD1-CB 3.99Å; F684-V759 HydrophobicContact CD1-CG1 3.77Å; F684-V759 HydrophobicContact CE1-CB 4.09Å; F684-V759 HydrophobicContact CE1-CG1 3.58Å; F684-V761 HydrophobicContact CD1-CG2 4.1Å; F684-V761 HydrophobicContact CE1-CG2 4.4Å
685	G	96.7	Very high	91.3	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.021	14%	0.14	C	C	.	.			trans	-74.2	120.3	-174.8	0	0	0	0	0	112.7	T681 F706 P757	T681-G685 WeakPolarHBondContact O-CA 3.3Å; T681-G685 PolarHBondContact O-N 3.19Å; G685-F706 WeakPolarHBondContact CA-O 3.38Å; G685-P757 WeakPolarHBondContact O-CB 3.33Å
686	G	95.6	Very high	91.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	172.4	165.6	0	0	0	0	0	111.5	F684 P705 F706 E755	F684-G686 PolarHBondContact O-N 3.39Å; G686-P705 CarbonylContact O-C 3.57Å; G686-P705 WeakPolarHBondContact O-CA 3.09Å; G686-F706 VanDerWaalsContact C-CD1 3.48Å; G686-F706 PolarHBondContact N-O 3.46Å; G686-F706 WeakPolarHBondContact O-CD1 3.39Å; G686-F706 PolarHBondContact O-N 3.34Å; G686-E755 WeakPolarHBondContact CA-O 3.43Å
687	H	94.9	Very high	91	Very high	17 Å²	17	36.7 Å²	36.7	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.2	175.4	-74.5	106.9	0	0	0	111.5	F675 E754 E755	F675-H687 AromaticContact CD1-CE1 3.26Å; F675-H687 WeakPolarHBondContact CD1-CE1 3.26Å; F675-H687 AromaticContact CD1-NE2 3.28Å; F675-H687 VanDerWaalsContact CD1-NE2 3.28Å; F675-H687 WeakPolarHBondContact CD1-NE2 3.31Å; F675-H687 AromaticContact CE1-CE1 3.62Å; F675-H687 AromaticContact CE1-NE2 3.85Å; F675-H687 AromaticContact CG-NE2 3.59Å; H687-E754 HydrophobicContact CB-CB 3.97Å; H687-E754 PolarHBondContact O-N 2.85Å; H687-E755 HydrophobicContact CB-CB 3.83Å; H687-E755 IonicContact CE1-OE2 3.41Å; H687-E755 PolarHBondContact CE1-OE2 2.78Å; H687-E755 IonicContact CG-OE2 2.71Å; H687-E755 PolarHBondContact N-O 2.78Å; H687-E755 VanDerWaalsContact N-O 3.07Å; H687-E755 IonicContact ND1-OE2 3.82Å; H687-E755 PolarHBondContact ND1-OE2 2.78Å; H687-E755 PolarHBondContact O-N 3.47Å
688	I	95.4	Very high	90.4	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.118	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.7	167.6	-80	162.8	0	0	0	108.6	L703 Q704 F706 L709 V751 T752 L753	I688-L703 WeakPolarHBondContact O-CA 3.43Å; I688-Q704 PolarHBondContact N-O 2.95Å; I688-Q704 PolarHBondContact O-N 2.79Å; I688-F706 HydrophobicContact CD1-CD1 3.89Å; I688-F706 HydrophobicContact CD1-CE1 4.37Å; I688-F706 HydrophobicContact CG1-CD1 3.81Å; I688-F706 HydrophobicContact CG1-CE1 3.95Å; I688-L709 HydrophobicContact CD1-CD1 3.81Å; I688-L709 HydrophobicContact CG1-CD1 4.41Å; I688-V751 HydrophobicContact CG2-CG1 3.81Å; I688-T752 WeakPolarHBondContact CA-O 3.15Å; I688-L753 HydrophobicContact CG1-CD2 4.29Å
689	R	94.3	Very high	89.9	Confident	22 Å²	22	39.6 Å²	39.6	8%	0.083	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115	163.5	-178	-176.4	-67.1	-96.5	4.3	109.6	Q660 V691 A701 T702 L703 V751 T752 E754	Q660-R689 VanDerWaalsContact OE1-CZ 3.27Å; R689-V691 HydrophobicContact CG-CG2 4.06Å; R689-A701 HydrophobicContact CG-CB 4.46Å; R689-T702 WeakPolarHBondContact CA-O 3.24Å; R689-L703 HydrophobicContact CB-CD2 3.66Å; R689-L703 HydrophobicContact CG-CD2 3.92Å; R689-V751 CarbonylContact O-C 3.47Å; R689-T752 PolarHBondContact N-O 2.89Å; R689-T752 PolarHBondContact O-N 2.89Å; R689-T752 PolarHBondContact O-OG1 3.47Å; R689-E754 HydrophobicContact CB-CB 4.31Å; R689-E754 IonicContact CZ-OE1 3.86Å; R689-E754 IonicContact CZ-OE2 3.55Å; R689-E754 IonicContact NE-OE1 3.46Å; R689-E754 IonicContact NE-OE2 3.38Å; R689-E754 PolarHBondContact NE-OE2 3.36Å; R689-E754 IonicContact NH2-OE1 2.76Å; R689-E754 PolarHBondContact NH2-OE1 3.05Å; R689-E754 IonicContact NH2-OE2 3.73Å
690	S	92.7	Very high	89.2	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.5	174.3	163	0	0	0	0	109.2	A701 T702 R749	S690-A701 CarbonylContact O-C 3.58Å; S690-A701 WeakPolarHBondContact O-CA 3.32Å; S690-T702 PolarHBondContact N-O 3.1Å; S690-T702 PolarHBondContact O-N 2.87Å; S690-R749 PolarHBondContact OG-NE 2.83Å; S690-R749 PolarHBondContact OG-NH2 3.31Å; S690-R749 VanDerWaalsContact OG-NH2 3.1Å
691	V	91.9	Very high	88.8	Confident	16 Å²	16	41.6 Å²	41.6	10%	0.097	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132	178.2	-173.5	0	0	0	0	110.1	R689 Y693 E699 S700 A701 R749 R750	R689-V691 HydrophobicContact CG-CG2 4.06Å; V691-Y693 HydrophobicContact CB-CE2 4.1Å; V691-Y693 HydrophobicContact CG1-CD1 4.48Å; V691-Y693 HydrophobicContact CG1-CD2 4.48Å; V691-Y693 HydrophobicContact CG1-CE1 3.89Å; V691-Y693 HydrophobicContact CG1-CE2 3.91Å; V691-E699 HydrophobicContact CG1-CB 4.48Å; V691-S700 CarbonylContact C-O 3.58Å; V691-S700 WeakPolarHBondContact CA-O 3.32Å; V691-A701 HydrophobicContact CG2-CB 4.16Å; V691-R749 CarbonylContact O-C 3.49Å; V691-R749 WeakPolarHBondContact O-CA 3.49Å; V691-R750 PolarHBondContact N-O 2.76Å; V691-R750 PolarHBondContact O-N 3.4Å
692	V	89.3	Confident	88.5	Confident	26 Å²	26	43.2 Å²	43.2	16%	0.158	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.2	173.5	175.6	0	0	0	0	109.9	S700 I747	V692-S700 PolarHBondContact N-O 2.84Å; V692-S700 PolarHBondContact O-N 2.84Å; V692-I747 HydrophobicContact CG1-CB 4.3Å; V692-I747 HydrophobicContact CG1-CD1 3.74Å
693	Y	86.4	Confident	88.3	Confident	59 Å²	59	41.8 Å²	41.8	23%	0.231	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.7	175.6	-53.1	-87.1	0	0	0	109	V691 E699 S748 R750	V691-Y693 HydrophobicContact CB-CE2 4.1Å; V691-Y693 HydrophobicContact CG1-CD1 4.48Å; V691-Y693 HydrophobicContact CG1-CD2 4.48Å; V691-Y693 HydrophobicContact CG1-CE1 3.89Å; V691-Y693 HydrophobicContact CG1-CE2 3.91Å; Y693-E699 HydrophobicContact CD1-CG 3.81Å; Y693-E699 HydrophobicContact CE1-CG 4.11Å; Y693-E699 WeakPolarHBondContact CE1-OE2 3.3Å; Y693-S748 WeakPolarHBondContact CD2-O 3.32Å; Y693-S748 PolarHBondContact N-O 2.95Å; Y693-S748 PolarHBondContact O-N 3.31Å; Y693-S748 PolarHBondContact O-OG 2.94Å; Y693-R750 HydrophobicContact CE2-CB 3.88Å
694	Q	82.6	Confident	87.9	Confident	67 Å²	67	44.9 Å²	44.9	31%	0.313	23%	0.229	S	C	.	.			trans	-103.2	152.8	171.6	156.5	180	11.1	0	0	109.6	S697 I745 I747	Q694-S697 VanDerWaalsContact CB-OG 3.29Å; Q694-S697 WeakPolarHBondContact CB-OG 3.43Å; Q694-S697 VanDerWaalsContact CG-OG 3.28Å; Q694-S697 WeakPolarHBondContact CG-OG 3.49Å; Q694-S697 PolarHBondContact OE1-OG 3.14Å; Q694-I745 HydrophobicContact CG-CD1 3.77Å; Q694-I747 HydrophobicContact CB-CG2 3.91Å; Q694-I747 HydrophobicContact CG-CG2 4.49Å
695	Q	75.6	Confident	87.7	Confident	143 Å²	143	45.9 Å²	45.9	67%	0.668	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	131.4	174.3	-57.1	-172.9	22.3	0	0	110.3	S697	Q695-S697 VanDerWaalsContact C-N 3.31Å; Q695-S697 PolarHBondContact O-N 2.83Å
696	N	72.9	Confident	87.6	Confident	177 Å²	177	46.7 Å²	46.7	95%	0.947	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	16.1	175.9	-54.3	-25.8	0	0	0	117.5
697	S	73.3	Confident	87.7	Confident	54 Å²	54	47.4 Å²	47.4	38%	0.378	24%	0.241	S	C	.	.	S	Bend	trans	-113.3	172.5	171.7	71.6	0	0	0	0	112.7	Q694 Q695	Q694-S697 VanDerWaalsContact CB-OG 3.29Å; Q694-S697 WeakPolarHBondContact CB-OG 3.43Å; Q694-S697 VanDerWaalsContact CG-OG 3.28Å; Q694-S697 WeakPolarHBondContact CG-OG 3.49Å; Q694-S697 PolarHBondContact OE1-OG 3.14Å; Q695-S697 VanDerWaalsContact C-N 3.31Å; Q695-S697 PolarHBondContact O-N 2.83Å
698	K	77.8	Confident	87.8	Confident	118 Å²	118	47.7 Å²	47.7	51%	0.513	24%	0.244	S	C	.	.			trans	-64.4	146.3	163.3	-72.1	-176.4	178.8	-179.4	0	109.5	E659	E659-K698 VanDerWaalsContact CD-NZ 3.34Å; E659-K698 IonicContact OE1-NZ 2.74Å; E659-K698 PolarHBondContact OE1-NZ 2.86Å; E659-K698 IonicContact OE2-NZ 3.51Å; E659-K698 PolarHBondContact OE2-NZ 2.77Å
699	E	83.3	Confident	87.9	Confident	51 Å²	51	46.8 Å²	46.8	24%	0.238	24%	0.24	C	C	.	.			trans	-69.8	127.8	170.6	-65.4	170.2	-151.9	0	0	108.3	K666 S668 V669 V691 Y693	K666-E699 IonicContact NZ-OE1 3.74Å; K666-E699 PolarHBondContact NZ-OE1 3.45Å; S668-E699 VanDerWaalsContact CA-O 3.22Å; S668-E699 WeakPolarHBondContact CA-O 3.3Å; S668-E699 VanDerWaalsContact CB-O 3.29Å; S668-E699 WeakPolarHBondContact CB-O 3.35Å; S668-E699 PolarHBondContact OG-O 3.13Å; V669-E699 PolarHBondContact N-O 3.3Å; V691-E699 HydrophobicContact CG1-CB 4.48Å; Y693-E699 HydrophobicContact CD1-CG 3.81Å; Y693-E699 HydrophobicContact CE1-CG 4.11Å; Y693-E699 WeakPolarHBondContact CE1-OE2 3.3Å
700	S	83.9	Confident	88	Confident	43 Å²	43	49.3 Å²	49.3	30%	0.301	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.7	174.6	59.3	0	0	0	0	110.6	V691 V692	V691-S700 CarbonylContact C-O 3.58Å; V691-S700 WeakPolarHBondContact CA-O 3.32Å; V692-S700 PolarHBondContact N-O 2.84Å; V692-S700 PolarHBondContact O-N 2.84Å
701	A	88.8	Confident	88.3	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140	178.5	0	0	0	0	0	110.4	V669 T670 R671 R689 S690 V691	V669-A701 PolarHBondContact O-N 3.38Å; T670-A701 CarbonylContact C-O 3.6Å; T670-A701 WeakPolarHBondContact CA-O 3.37Å; T670-A701 HydrophobicContact CG2-CB 4.31Å; R671-A701 PolarHBondContact N-O 2.82Å; R689-A701 HydrophobicContact CG-CB 4.46Å; S690-A701 CarbonylContact O-C 3.58Å; S690-A701 WeakPolarHBondContact O-CA 3.32Å; V691-A701 HydrophobicContact CG2-CB 4.16Å
702	T	90.5	Very high	88.4	Confident	33 Å²	33	51.5 Å²	51.5	20%	0.202	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.1	169.3	55	0	0	0	0	110.1	F21 R671 R689 S690	F21-T702 HydrophobicContact CD1-CG2 4.37Å; F21-T702 HydrophobicContact CE1-CG2 4.2Å; R671-T702 WeakPolarHBondContact O-CA 3.46Å; R689-T702 WeakPolarHBondContact CA-O 3.24Å; S690-T702 PolarHBondContact N-O 3.1Å; S690-T702 PolarHBondContact O-N 2.87Å
703	L	91.4	Very high	88.8	Confident	20 Å²	20	50.2 Å²	50.2	11%	0.105	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.2	168.3	-66.2	-177.4	0	0	0	109.1	T670 R671 Q672 I688 R689 E754	T670-L703 HydrophobicContact CG2-CD1 4.32Å; T670-L703 HydrophobicContact CG2-CG 4.15Å; R671-L703 PolarHBondContact O-N 3.31Å; Q672-L703 HydrophobicContact CB-CB 4.26Å; Q672-L703 HydrophobicContact CB-CD1 4.44Å; Q672-L703 HydrophobicContact CG-CB 4.23Å; Q672-L703 HydrophobicContact CG-CD1 4.43Å; I688-L703 WeakPolarHBondContact O-CA 3.43Å; R689-L703 HydrophobicContact CB-CD2 3.66Å; R689-L703 HydrophobicContact CG-CD2 3.92Å; L703-E754 HydrophobicContact CD2-CB 4.3Å; L703-E754 HydrophobicContact CD2-CG 3.95Å
704	Q	90.8	Very high	89.1	Confident	65 Å²	65	52.1 Å²	52.1	30%	0.304	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.4	-178.6	-177	-179.4	-14.7	0	0	109.7	I688	I688-Q704 PolarHBondContact N-O 2.95Å; I688-Q704 PolarHBondContact O-N 2.79Å
705	P	93.5	Very high	89.7	Confident	21 Å²	21	51.7 Å²	51.7	14%	0.136	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	157.8	174.4	30.8	-34.8	0	0	0	112.3	I9 F675 G686	I9-P705 HydrophobicContact CG2-CG 4.19Å; F675-P705 HydrophobicContact CD1-CB 4.39Å; F675-P705 HydrophobicContact CD2-CB 3.29Å; F675-P705 HydrophobicContact CD2-CG 3.58Å; F675-P705 HydrophobicContact CE1-CB 4.33Å; F675-P705 HydrophobicContact CE2-CB 3.25Å; F675-P705 HydrophobicContact CE2-CG 3.92Å; F675-P705 HydrophobicContact CG-CB 3.86Å; F675-P705 HydrophobicContact CG-CG 4.27Å; F675-P705 HydrophobicContact CZ-CB 3.76Å; G686-P705 CarbonylContact O-C 3.57Å; G686-P705 WeakPolarHBondContact O-CA 3.09Å
706	F	95.3	Very high	90.5	Very high	19 Å²	19	52.2 Å²	52.2	8%	0.083	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.6	171.8	70.2	-92.8	0	0	0	112.6	G685 G686 I688 L709 L753 P757 L760	G685-F706 WeakPolarHBondContact CA-O 3.38Å; G686-F706 VanDerWaalsContact C-CD1 3.48Å; G686-F706 PolarHBondContact N-O 3.46Å; G686-F706 WeakPolarHBondContact O-CD1 3.39Å; G686-F706 PolarHBondContact O-N 3.34Å; I688-F706 HydrophobicContact CD1-CD1 3.89Å; I688-F706 HydrophobicContact CD1-CE1 4.37Å; I688-F706 HydrophobicContact CG1-CD1 3.81Å; I688-F706 HydrophobicContact CG1-CE1 3.95Å; F706-L709 HydrophobicContact CD2-CB 4.24Å; F706-L709 HydrophobicContact CD2-CD1 4.44Å; F706-L709 HydrophobicContact CE1-CD1 4.33Å; F706-L709 HydrophobicContact CE2-CB 3.97Å; F706-L709 HydrophobicContact CE2-CD1 4.24Å; F706-L709 HydrophobicContact CZ-CD1 4.18Å; F706-L753 HydrophobicContact CE1-CD2 4.47Å; F706-P757 HydrophobicContact CE2-CG 4.35Å; F706-L760 HydrophobicContact CE2-CD1 4.06Å; F706-L760 HydrophobicContact CZ-CD1 4.5Å
707	F	96.8	Very high	91.6	Very high	16 Å²	16	52.4 Å²	52.4	7%	0.07	27%	0.266	C	S	.	.	S	Bend	trans	-102.3	-38.3	163.9	-69	-50.6	0	0	0	112.1	I9 L609 N610 H613 I680 T681 F684	I9-F707 HydrophobicContact CD1-CD2 4.46Å; I9-F707 HydrophobicContact CD1-CE2 3.66Å; I9-F707 HydrophobicContact CD1-CZ 4.37Å; L609-F707 HydrophobicContact CB-CD2 3.82Å; L609-F707 HydrophobicContact CB-CE2 4.07Å; L609-F707 HydrophobicContact CB-CG 4.12Å; L609-F707 HydrophobicContact CD1-CB 3.82Å; L609-F707 HydrophobicContact CD1-CD1 4.49Å; L609-F707 HydrophobicContact CD1-CG 4.09Å; N610-F707 WeakPolarHBondContact OD1-CD2 3.37Å; N610-F707 VanDerWaalsContact OD1-CE2 3.3Å; N610-F707 WeakPolarHBondContact OD1-CE2 3.46Å; H613-F707 HydrophobicContact CB-CE2 4.42Å; H613-F707 HydrophobicContact CB-CZ 4.01Å; I680-F707 HydrophobicContact CG2-CE1 3.77Å; I680-F707 HydrophobicContact CG2-CZ 3.87Å; T681-F707 HydrophobicContact CG2-CE1 3.53Å; T681-F707 HydrophobicContact CG2-CZ 3.61Å; F684-F707 HydrophobicContact CB-CD1 3.8Å; F684-F707 HydrophobicContact CB-CE1 4.47Å
708	T	97.1	Very high	92.7	Very high	23 Å²	23	50 Å²	50	14%	0.141	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.9	173.2	53.5	0	0	0	0	109.7	E602 L605 Q710 V761	E602-T708 HydrophobicContact CG-CG2 4.03Å; E602-T708 VanDerWaalsContact OE1-CB 3.3Å; E602-T708 WeakPolarHBondContact OE1-CB 3.08Å; E602-T708 PolarHBondContact OE1-OG1 2.68Å; L605-T708 HydrophobicContact CD2-CG2 3.6Å; L605-T708 HydrophobicContact CG-CG2 4.37Å; T708-Q710 PolarHBondContact O-N 2.95Å; T708-V761 HydrophobicContact CG2-CB 4.3Å; T708-V761 HydrophobicContact CG2-CG1 4.19Å
709	L	97.6	Very high	93.6	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	102.9	170.6	-167.5	63.4	0	0	0	108.1	I688 F706 L711 L725 L728 L753 L760 V761 L762 H763	I688-L709 HydrophobicContact CD1-CD1 3.81Å; I688-L709 HydrophobicContact CG1-CD1 4.41Å; F706-L709 HydrophobicContact CD2-CB 4.24Å; F706-L709 HydrophobicContact CD2-CD1 4.44Å; F706-L709 HydrophobicContact CE1-CD1 4.33Å; F706-L709 HydrophobicContact CE2-CB 3.97Å; F706-L709 HydrophobicContact CE2-CD1 4.24Å; F706-L709 HydrophobicContact CZ-CD1 4.18Å; L709-L711 HydrophobicContact CD2-CD2 4.31Å; L709-L711 HydrophobicContact CG-CD2 4.09Å; L709-L711 PolarHBondContact O-N 3.28Å; L709-L725 HydrophobicContact CD2-CD2 3.61Å; L709-L728 HydrophobicContact CD1-CD2 3.72Å; L709-L728 HydrophobicContact CD2-CD2 4.18Å; L709-L728 HydrophobicContact CG-CD2 3.93Å; L709-L753 HydrophobicContact CD1-CD2 4.1Å; L709-L753 HydrophobicContact CD2-CD2 4.07Å; L709-L760 HydrophobicContact CB-CD1 4.2Å; L709-L760 HydrophobicContact CD2-CD1 4.33Å; L709-V761 PolarHBondContact N-O 3.43Å; L709-L762 HydrophobicContact CB-CD2 3.82Å; L709-L762 HydrophobicContact CD2-CD2 3.88Å; L709-L762 HydrophobicContact CG-CD2 4.32Å; L709-H763 PolarHBondContact O-N 3.01Å
710	Q	97.1	Very high	94.3	Very high	75 Å²	75	49.9 Å²	49.9	35%	0.35	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	112.5	-177.4	-62.9	-171.1	-12.7	0	0	110.9	E602 T708 H763 K765	E602-Q710 WeakPolarHBondContact OE1-CG 3.37Å; E602-Q710 PolarHBondContact OE1-NE2 2.96Å; E602-Q710 PolarHBondContact OE2-NE2 3.01Å; T708-Q710 PolarHBondContact O-N 2.95Å; Q710-H763 HydrophobicContact CG-CB 4.37Å; Q710-K765 HydrophobicContact CB-CD 4.31Å
711	L	97.6	Very high	95	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.3	-179.2	-55.1	-174.2	0	0	0	109.9	L709 I713 V721 A724 L725 L728 L762 H763 L764 K765	L709-L711 HydrophobicContact CD2-CD2 4.31Å; L709-L711 HydrophobicContact CG-CD2 4.09Å; L709-L711 PolarHBondContact O-N 3.28Å; L711-I713 PolarHBondContact O-N 3.02Å; L711-V721 HydrophobicContact CD1-CG1 4.19Å; L711-A724 HydrophobicContact CB-CB 4.1Å; L711-A724 HydrophobicContact CD1-CB 4.14Å; L711-L725 HydrophobicContact CD1-CD2 4.37Å; L711-L725 HydrophobicContact CD1-CG 4.23Å; L711-L725 HydrophobicContact CD2-CD2 3.74Å; L711-L725 HydrophobicContact CD2-CG 4.23Å; L711-L728 HydrophobicContact CD2-CD2 3.92Å; L711-L762 HydrophobicContact CD1-CB 4.13Å; L711-L762 HydrophobicContact CD1-CD1 4.19Å; L711-L762 HydrophobicContact CD1-CD2 4.41Å; L711-L762 HydrophobicContact CD1-CG 4.48Å; L711-H763 PolarHBondContact N-O 2.83Å; L711-L764 HydrophobicContact CB-CD2 4.26Å; L711-L764 HydrophobicContact CD1-CD2 4.02Å; L711-K765 WeakPolarHBondContact O-CB 3.31Å; L711-K765 PolarHBondContact O-N 2.8Å
712	D	95.8	Very high	95.4	Very high	64 Å²	64	50.1 Å²	50.1	34%	0.342	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128	165.2	-164.4	-52.6	0	0	0	109	Q714 I718	D712-Q714 VanDerWaalsContact OD1-CB 3.3Å; D712-Q714 WeakPolarHBondContact OD1-CB 3.3Å; D712-Q714 VanDerWaalsContact OD1-CG 3.31Å; D712-Q714 WeakPolarHBondContact OD1-CG 3.4Å; D712-Q714 PolarHBondContact OD1-N 2.94Å; D712-Q714 PolarHBondContact OD2-NE2 2.79Å; D712-I718 WeakPolarHBondContact O-CD1 3.47Å
713	I	96.3	Very high	95.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.249	C	C	.	.			trans	-127.4	14.8	178.7	56	158.5	0	0	0	111.9	L711 I718 A724 L764 K765 R766 L778 K780 I782	L711-I713 PolarHBondContact O-N 3.02Å; I713-I718 HydrophobicContact CG2-CG2 4.25Å; I713-A724 HydrophobicContact CG2-CB 4.03Å; I713-L764 HydrophobicContact CD1-CB 4.01Å; I713-L764 HydrophobicContact CG2-CD2 4.21Å; I713-K765 WeakPolarHBondContact CG1-O 3.2Å; I713-R766 HydrophobicContact CD1-CG 3.78Å; I713-L778 HydrophobicContact CD1-CD2 4.04Å; I713-L778 HydrophobicContact CG1-CD2 3.99Å; I713-L778 VanDerWaalsContact O-CD2 3.27Å; I713-L778 WeakPolarHBondContact O-CD2 3.45Å; I713-K780 WeakPolarHBondContact O-CE 3.18Å; I713-K780 PolarHBondContact O-NZ 2.75Å; I713-I782 HydrophobicContact CB-CD1 4.05Å; I713-I782 HydrophobicContact CB-CG1 4.15Å; I713-I782 HydrophobicContact CD1-CG1 3.83Å; I713-I782 HydrophobicContact CG2-CD1 4.07Å; I713-I782 HydrophobicContact CG2-CG1 4.1Å
714	Q	94.2	Very high	96	Very high	98 Å²	98	51 Å²	51	46%	0.458	24%	0.244	S	C	.	.			trans	-60.2	-54.8	-177.8	-64.5	-179.8	80.1	0	0	111	D712 E716 V768 K780	D712-Q714 VanDerWaalsContact OD1-CB 3.3Å; D712-Q714 WeakPolarHBondContact OD1-CB 3.3Å; D712-Q714 VanDerWaalsContact OD1-CG 3.31Å; D712-Q714 WeakPolarHBondContact OD1-CG 3.4Å; D712-Q714 PolarHBondContact OD1-N 2.94Å; D712-Q714 PolarHBondContact OD2-NE2 2.79Å; Q714-E716 PolarHBondContact O-N 2.85Å; Q714-V768 HydrophobicContact CG-CG1 4.34Å; Q714-V768 HydrophobicContact CG-CG2 3.85Å; Q714-V768 VanDerWaalsContact OE1-CG1 3.23Å; Q714-K780 PolarHBondContact O-NZ 2.8Å
715	S	93.8	Very high	96.4	Very high	59 Å²	59	47.9 Å²	47.9	41%	0.413	23%	0.23	S	C	.	.	S	Bend	trans	-52.5	125	-174.7	-170.4	0	0	0	0	113	K717 I718 K780	S715-K717 PolarHBondContact O-N 2.85Å; S715-I718 WeakPolarHBondContact O-CB 3.37Å; S715-I718 PolarHBondContact O-N 2.94Å; S715-K780 PolarHBondContact O-NZ 2.69Å
716	E	93.5	Very high	96.5	Very high	154 Å²	154	51.5 Å²	51.5	72%	0.72	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.4	-176.7	-61.7	-165.8	144.8	0	0	114.6	Q714 I718 R719	Q714-E716 PolarHBondContact O-N 2.85Å; E716-I718 VanDerWaalsContact C-N 3.29Å; E716-R719 PolarHBondContact O-NE 3.23Å; E716-R719 PolarHBondContact O-NH2 3.03Å
717	K	95.1	Very high	96.6	Very high	181 Å²	181	54 Å²	54	79%	0.787	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.9	176.9	-61.9	178	-178	176.1	0	112.5	S715 R719	S715-K717 PolarHBondContact O-N 2.85Å; K717-R719 PolarHBondContact O-N 2.89Å
718	I	96.9	Very high	96.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	27%	0.27	C	S	.	.			trans	-79.6	116.4	179.3	-55.7	171.5	0	0	0	108.4	D712 I713 S715 E716 E723 A724 T727 K780 I782	D712-I718 WeakPolarHBondContact O-CD1 3.47Å; I713-I718 HydrophobicContact CG2-CG2 4.25Å; S715-I718 WeakPolarHBondContact O-CB 3.37Å; S715-I718 PolarHBondContact O-N 2.94Å; E716-I718 VanDerWaalsContact C-N 3.29Å; I718-E723 HydrophobicContact CG2-CB 4.29Å; I718-A724 HydrophobicContact CG2-CB 3.72Å; I718-T727 HydrophobicContact CD1-CG2 4.11Å; I718-K780 VanDerWaalsContact O-CE 3.26Å; I718-K780 WeakPolarHBondContact O-CE 3.21Å; I718-K780 PolarHBondContact O-NZ 2.77Å; I718-I782 HydrophobicContact CG2-CD1 4.01Å; I718-I782 WeakPolarHBondContact O-CD1 3.41Å
719	R	96.3	Very high	96.4	Very high	127 Å²	127	54.7 Å²	54.7	48%	0.479	27%	0.266	S	S	.	.			trans	-126.7	-9.1	178.3	-61.9	-63.1	171.4	138.4	-1.7	112.9	E716 K717 E723 I782 D783	E716-R719 PolarHBondContact O-NE 3.23Å; E716-R719 PolarHBondContact O-NH2 3.03Å; K717-R719 PolarHBondContact O-N 2.89Å; R719-E723 WeakPolarHBondContact CA-OE2 3.27Å; R719-E723 PolarHBondContact N-OE2 3.22Å; R719-I782 CarbonylContact O-C 3.55Å; R719-I782 WeakPolarHBondContact O-CA 3.26Å; R719-D783 PolarHBondContact O-N 3.21Å
720	T	97.8	Very high	96.2	Very high	39 Å²	39	57 Å²	57	24%	0.239	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-131.5	158.9	178.2	68.2	0	0	0	0	111.9	Q722 E723 A724 D783	T720-Q722 PolarHBondContact O-N 2.83Å; T720-Q722 PolarHBondContact OG1-N 3.18Å; T720-E723 PolarHBondContact N-OE2 3.13Å; T720-E723 PolarHBondContact O-N 3.43Å; T720-E723 VanDerWaalsContact OG1-CG 3.26Å; T720-E723 WeakPolarHBondContact OG1-CG 3.37Å; T720-E723 PolarHBondContact OG1-N 3.18Å; T720-E723 VanDerWaalsContact OG1-N 3.1Å; T720-E723 PolarHBondContact OG1-OE2 3.24Å; T720-A724 PolarHBondContact O-N 3.4Å; T720-D783 CarbonylContact C-O 3.52Å; T720-D783 VanDerWaalsContact CA-O 3.24Å; T720-D783 WeakPolarHBondContact CA-O 3.23Å; T720-D783 HydrophobicContact CG2-CB 4.42Å
721	V	98.2	Very high	95.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-33	169.2	165.6	0	0	0	0	112.1	L711 A724 L725 L762 L764 I782 D783 L788 L868	L711-V721 HydrophobicContact CD1-CG1 4.19Å; V721-A724 PolarHBondContact O-N 3.16Å; V721-L725 HydrophobicContact CG1-CD1 3.84Å; V721-L725 HydrophobicContact CG1-CG 4.37Å; V721-L725 WeakPolarHBondContact O-CG 3.21Å; V721-L725 PolarHBondContact O-N 2.84Å; V721-L762 HydrophobicContact CG1-CD1 3.52Å; V721-L764 HydrophobicContact CG2-CD2 4.24Å; V721-I782 HydrophobicContact CG2-CG2 4.01Å; V721-D783 PolarHBondContact N-O 2.91Å; V721-L788 HydrophobicContact CG1-CD2 4.4Å; V721-L868 HydrophobicContact CG2-CD1 3.61Å
722	Q	97.8	Very high	95.5	Very high	51 Å²	51	65.6 Å²	65.6	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-66.3	-47.1	-179.6	-174.7	62	25.8	0	0	111.4	T720 A724 L725 E726	T720-Q722 PolarHBondContact O-N 2.83Å; T720-Q722 PolarHBondContact OG1-N 3.18Å; Q722-A724 VanDerWaalsContact C-N 3.28Å; Q722-A724 PolarHBondContact O-N 2.76Å; Q722-L725 PolarHBondContact O-N 2.84Å; Q722-E726 WeakPolarHBondContact CG-OE1 3.33Å; Q722-E726 PolarHBondContact NE2-OE1 2.77Å; Q722-E726 WeakPolarHBondContact O-CB 3.21Å; Q722-E726 WeakPolarHBondContact O-CG 3.28Å; Q722-E726 PolarHBondContact O-N 3.42Å
723	E	97.8	Very high	95.1	Very high	70 Å²	70	65.8 Å²	65.8	33%	0.327	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-33.2	174.9	-67.4	154.5	159.4	0	0	112.1	I718 R719 T720 E726 T727	I718-E723 HydrophobicContact CG2-CB 4.29Å; R719-E723 WeakPolarHBondContact CA-OE2 3.27Å; R719-E723 PolarHBondContact N-OE2 3.22Å; T720-E723 PolarHBondContact N-OE2 3.13Å; T720-E723 PolarHBondContact O-N 3.43Å; T720-E723 VanDerWaalsContact OG1-CG 3.26Å; T720-E723 WeakPolarHBondContact OG1-CG 3.37Å; T720-E723 PolarHBondContact OG1-N 3.18Å; T720-E723 VanDerWaalsContact OG1-N 3.1Å; T720-E723 PolarHBondContact OG1-OE2 3.24Å; E723-E726 PolarHBondContact O-N 2.89Å; E723-T727 WeakPolarHBondContact O-CB 3.41Å; E723-T727 PolarHBondContact O-N 3.28Å; E723-T727 PolarHBondContact O-OG1 2.83Å
724	A	97.9	Very high	94.4	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-68.5	-41.2	175.7	0	0	0	0	0	111.9	L711 I713 I718 T720 V721 Q722 T727 L728	L711-A724 HydrophobicContact CB-CB 4.1Å; L711-A724 HydrophobicContact CD1-CB 4.14Å; I713-A724 HydrophobicContact CG2-CB 4.03Å; I718-A724 HydrophobicContact CG2-CB 3.72Å; T720-A724 PolarHBondContact O-N 3.4Å; V721-A724 PolarHBondContact O-N 3.16Å; Q722-A724 VanDerWaalsContact C-N 3.28Å; Q722-A724 PolarHBondContact O-N 2.76Å; A724-T727 PolarHBondContact O-N 3.06Å; A724-L728 WeakPolarHBondContact O-CB 3.24Å; A724-L728 PolarHBondContact O-N 3.41Å
725	L	97.9	Very high	93.6	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-66	-37.5	172.7	-73.3	164.7	0	0	0	112.3	L709 L711 V721 Q722 L728 V729 L788 I790 L794	L709-L725 HydrophobicContact CD2-CD2 3.61Å; L711-L725 HydrophobicContact CD1-CD2 4.37Å; L711-L725 HydrophobicContact CD1-CG 4.23Å; L711-L725 HydrophobicContact CD2-CD2 3.74Å; L711-L725 HydrophobicContact CD2-CG 4.23Å; V721-L725 HydrophobicContact CG1-CD1 3.84Å; V721-L725 HydrophobicContact CG1-CG 4.37Å; V721-L725 WeakPolarHBondContact O-CG 3.21Å; V721-L725 PolarHBondContact O-N 2.84Å; Q722-L725 PolarHBondContact O-N 2.84Å; L725-L728 PolarHBondContact O-N 3.16Å; L725-V729 PolarHBondContact O-N 2.98Å; L725-L788 HydrophobicContact CD1-CD2 4.49Å; L725-I790 HydrophobicContact CD1-CD1 3.77Å; L725-L794 HydrophobicContact CB-CD1 4.05Å
726	E	96.9	Very high	92.3	Very high	96 Å²	96	68.4 Å²	68.4	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-69.5	-36.7	175.2	-76.2	168.3	-165.3	0	0	112.1	Q722 E723 V729 A730 L794	Q722-E726 WeakPolarHBondContact CG-OE1 3.33Å; Q722-E726 PolarHBondContact NE2-OE1 2.77Å; Q722-E726 WeakPolarHBondContact O-CB 3.21Å; Q722-E726 WeakPolarHBondContact O-CG 3.28Å; Q722-E726 PolarHBondContact O-N 3.42Å; E723-E726 PolarHBondContact O-N 2.89Å; E726-V729 WeakPolarHBondContact O-CG2 3.38Å; E726-V729 PolarHBondContact O-N 2.79Å; E726-A730 PolarHBondContact O-N 2.85Å; E726-L794 HydrophobicContact CB-CD2 4.47Å; E726-L794 HydrophobicContact CG-CD2 3.71Å
727	T	95.8	Very high	91.1	Very high	72 Å²	72	62.4 Å²	62.4	44%	0.442	31%	0.312	S	S	.	.	H	α-helix	trans	-66.4	-43.1	172.4	-55.2	0	0	0	0	111.1	I718 E723 A724 V729 A730	I718-T727 HydrophobicContact CD1-CG2 4.11Å; E723-T727 WeakPolarHBondContact O-CB 3.41Å; E723-T727 PolarHBondContact O-N 3.28Å; E723-T727 PolarHBondContact O-OG1 2.83Å; A724-T727 PolarHBondContact O-N 3.06Å; T727-V729 PolarHBondContact O-N 2.79Å; T727-A730 WeakPolarHBondContact O-CB 3.48Å; T727-A730 PolarHBondContact O-N 3.37Å; T727-A730 VanDerWaalsContact O-N 3.09Å
728	L	94.9	Very high	89.9	Confident	46 Å²	46	57.4 Å²	57.4	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-57.1	-34	177.9	179.1	67.2	0	0	0	112.8	L709 L711 A724 L725 V751	L709-L728 HydrophobicContact CD1-CD2 3.72Å; L709-L728 HydrophobicContact CD2-CD2 4.18Å; L709-L728 HydrophobicContact CG-CD2 3.93Å; L711-L728 HydrophobicContact CD2-CD2 3.92Å; A724-L728 WeakPolarHBondContact O-CB 3.24Å; A724-L728 PolarHBondContact O-N 3.41Å; L725-L728 PolarHBondContact O-N 3.16Å; L728-V751 HydrophobicContact CD1-CG1 4.3Å; L728-V751 HydrophobicContact CG-CG1 4.17Å; L728-V751 WeakPolarHBondContact O-CB 3.21Å
729	V	95.1	Very high	88.5	Confident	8 Å²	8	57.9 Å²	57.9	5%	0.048	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	9.5	179.8	-54.3	0	0	0	0	114.5	L725 E726 T727 R750 V751 L794	L725-V729 PolarHBondContact O-N 2.98Å; E726-V729 WeakPolarHBondContact O-CG2 3.38Å; E726-V729 PolarHBondContact O-N 2.79Å; T727-V729 PolarHBondContact O-N 2.79Å; V729-R750 PolarHBondContact O-NE 2.91Å; V729-R750 PolarHBondContact O-NH2 2.89Å; V729-V751 WeakPolarHBondContact CA-O 3.39Å; V729-V751 WeakPolarHBondContact CB-O 3.32Å; V729-L794 HydrophobicContact CG1-CB 4.2Å; V729-L794 HydrophobicContact CG2-CB 4.37Å; V729-L794 HydrophobicContact CG2-CD2 3.43Å; V729-L794 VanDerWaalsContact CG2-CD2 3.43Å; V729-L794 HydrophobicContact CG2-CG 4.49Å
730	A	93.3	Very high	87.2	Confident	50 Å²	50	61.5 Å²	61.5	41%	0.413	32%	0.32	S	S	.	.	S	Bend	trans	-65	166.5	172.8	0	0	0	0	0	110.7	E726 T727	E726-A730 PolarHBondContact O-N 2.85Å; T727-A730 WeakPolarHBondContact O-CB 3.48Å; T727-A730 PolarHBondContact O-N 3.37Å; T727-A730 VanDerWaalsContact O-N 3.09Å
731	R	90.9	Very high	86	Confident	154 Å²	154	64.5 Å²	64.5	58%	0.581	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.5	170	-174.9	179.9	-178	175.6	-0.7	108.3	S748 R749 R750	R731-S748 VanDerWaalsContact CZ-OG 3.32Å; R731-S748 PolarHBondContact NE-OG 2.89Å; R731-S748 PolarHBondContact NH2-OG 3.18Å; R731-R749 WeakPolarHBondContact CA-O 3.4Å; R731-R749 WeakPolarHBondContact CG-O 3.48Å; R731-R750 HydrophobicContact CB-CB 4.48Å
732	E	90.1	Very high	84.7	Confident	103 Å²	103	73.6 Å²	73.6	48%	0.481	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	150.6	174.9	62.4	-170.2	176.2	0	0	110	V734 S748 R749	E732-V734 HydrophobicContact CG-CG2 4.35Å; E732-S748 CarbonylContact O-C 3.6Å; E732-S748 WeakPolarHBondContact O-CA 3.44Å; E732-S748 WeakPolarHBondContact O-CB 3.4Å; E732-R749 HydrophobicContact CG-CB 3.84Å; E732-R749 PolarHBondContact N-O 3.06Å; E732-R749 PolarHBondContact O-N 3.3Å; E732-R749 WeakPolarHBondContact OE1-CD 3.22Å
733	S	85.9	Confident	83.5	Confident	68 Å²	68	77.2 Å²	77.2	48%	0.476	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	143.6	162.6	50.5	0	0	0	0	109.9	E746 I747	S733-E746 WeakPolarHBondContact CB-OE1 3.43Å; S733-E746 PolarHBondContact OG-OE1 3.17Å; S733-I747 WeakPolarHBondContact CA-O 3.22Å
734	V	83.1	Confident	82.5	Confident	36 Å²	36	80.7 Å²	80.7	22%	0.218	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.6	178.7	-171.6	0	0	0	0	107.6	E732 I747 R749	E732-V734 HydrophobicContact CG-CG2 4.35Å; V734-I747 HydrophobicContact CB-CD1 4.29Å; V734-I747 HydrophobicContact CB-CG1 3.85Å; V734-I747 PolarHBondContact N-O 3.08Å; V734-I747 PolarHBondContact O-N 3.32Å; V734-R749 HydrophobicContact CG2-CB 4.11Å
735	Q	75.9	Confident	81.5	Confident	146 Å²	146	82.9 Å²	82.9	68%	0.682	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	158.3	179.3	-63.6	178.4	-10	0	0	110	Y737	Q735-Y737 VanDerWaalsContact C-N 3.31Å; Q735-Y737 PolarHBondContact O-N 3.47Å
736	G	68.1	Low	80.7	Confident	30 Å²	30	87.9 Å²	87.9	31%	0.309	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.5	19.5	-178	0	0	0	0	0	114.8	T738	G736-T738 PolarHBondContact O-N 3.38Å
737	Y	67.9	Low	80.3	Confident	27 Å²	27	83.7 Å²	83.7	11%	0.106	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110	172.3	-176.2	-90	0	0	0	110.1	Q20 V23 Q735 S739 E744 I745 I747	Q20-Y737 HydrophobicContact CG-CE2 4.05Å; Q20-Y737 VanDerWaalsContact CG-OH 3.29Å; Q20-Y737 WeakPolarHBondContact CG-OH 3.21Å; V23-Y737 HydrophobicContact CG2-CD2 4.16Å; Q735-Y737 VanDerWaalsContact C-N 3.31Å; Q735-Y737 PolarHBondContact O-N 3.47Å; Y737-S739 PolarHBondContact O-N 3.37Å; Y737-E744 WeakPolarHBondContact O-CA 3.48Å; Y737-I745 HydrophobicContact CD1-CD1 3.95Å; Y737-I745 HydrophobicContact CD1-CG1 3.87Å; Y737-I745 HydrophobicContact CE1-CD1 4.3Å; Y737-I745 WeakPolarHBondContact O-CG1 3.42Å; Y737-I745 PolarHBondContact O-N 2.78Å; Y737-I747 HydrophobicContact CD1-CD1 4.14Å; Y737-I747 HydrophobicContact CD1-CG2 3.65Å; Y737-I747 HydrophobicContact CD2-CD1 3.39Å; Y737-I747 HydrophobicContact CD2-CG1 4.34Å; Y737-I747 HydrophobicContact CE1-CG2 4.19Å; Y737-I747 HydrophobicContact CE2-CD1 3.89Å; Y737-I747 HydrophobicContact CG-CD1 3.52Å; Y737-I747 HydrophobicContact CG-CG1 4Å; Y737-I747 HydrophobicContact CG-CG2 4Å
738	T	70.3	Confident	80	Confident	77 Å²	77	81 Å²	81	47%	0.472	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.4	179.8	-52.8	0	0	0	0	110.8	G736	G736-T738 PolarHBondContact O-N 3.38Å
739	S	67.2	Low	79.8	Confident	14 Å²	14	82.1 Å²	82.1	10%	0.098	41%	0.411	C	S	.	.			trans	-70.1	165.4	174	61.6	0	0	0	0	112.8	Y737 T741 K742 Q743	Y737-S739 PolarHBondContact O-N 3.37Å; S739-T741 PolarHBondContact O-N 3.41Å; S739-T741 PolarHBondContact OG-OG1 3.15Å; S739-T741 VanDerWaalsContact OG-OG1 3.05Å; S739-K742 PolarHBondContact O-N 2.97Å; S739-Q743 WeakPolarHBondContact CB-O 3.43Å; S739-Q743 PolarHBondContact N-O 3Å; S739-Q743 PolarHBondContact OG-N 3.26Å; S739-Q743 PolarHBondContact OG-O 3.41Å
740	K	69.1	Low	79.7	Confident	203 Å²	203	85.5 Å²	85.5	88%	0.883	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-21.8	175.6	-69	-165.1	176	-166.9	0	113.8	K742	K740-K742 VanDerWaalsContact C-N 3.3Å; K740-K742 PolarHBondContact O-N 3.18Å
741	T	71.8	Confident	79.7	Confident	102 Å²	102	84 Å²	84	63%	0.626	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	15	175.5	50.4	0	0	0	0	113.8	S739 Q743	S739-T741 PolarHBondContact O-N 3.41Å; S739-T741 PolarHBondContact OG-OG1 3.15Å; S739-T741 VanDerWaalsContact OG-OG1 3.05Å; T741-Q743 PolarHBondContact O-N 3.26Å; T741-Q743 VanDerWaalsContact O-N 3.15Å
742	K	71.8	Confident	80	Confident	190 Å²	190	77.3 Å²	77.3	83%	0.826	39%	0.385	S	S	*	.	S	Bend	trans	58.2	17.4	-176.1	-61.2	-171.9	177.9	-176.3	0	115.1	S739 K740	S739-K742 PolarHBondContact O-N 2.97Å; K740-K742 VanDerWaalsContact C-N 3.3Å; K740-K742 PolarHBondContact O-N 3.18Å
743	Q	72.8	Confident	80.3	Confident	128 Å²	128	72.5 Å²	72.5	60%	0.598	36%	0.363	S	S	*	.			trans	-94.8	133	173.1	-68.4	178.8	-14.2	0	0	110.5	S739 T741	S739-Q743 WeakPolarHBondContact CB-O 3.43Å; S739-Q743 PolarHBondContact N-O 3Å; S739-Q743 PolarHBondContact OG-N 3.26Å; S739-Q743 PolarHBondContact OG-O 3.41Å; T741-Q743 PolarHBondContact O-N 3.26Å; T741-Q743 VanDerWaalsContact O-N 3.15Å
744	E	76.1	Confident	80.8	Confident	142 Å²	142	70.9 Å²	70.9	66%	0.664	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	136.5	165.9	-69.7	-168.8	-179.5	0	0	110.4	Y737	Y737-E744 WeakPolarHBondContact O-CA 3.48Å
745	I	77.3	Confident	81.4	Confident	47 Å²	47	72 Å²	72	24%	0.241	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.2	177.1	50.4	164.8	0	0	0	110.1	Q694 Y737 I747	Q694-I745 HydrophobicContact CG-CD1 3.77Å; Y737-I745 HydrophobicContact CD1-CD1 3.95Å; Y737-I745 HydrophobicContact CD1-CG1 3.87Å; Y737-I745 HydrophobicContact CE1-CD1 4.3Å; Y737-I745 WeakPolarHBondContact O-CG1 3.42Å; Y737-I745 PolarHBondContact O-N 2.78Å; I745-I747 HydrophobicContact CD1-CG2 3.75Å; I745-I747 HydrophobicContact CG1-CG2 4.01Å; I745-I747 PolarHBondContact O-N 2.73Å
746	E	81.4	Confident	82.4	Confident	106 Å²	106	65.8 Å²	65.8	50%	0.495	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	108.2	166.9	-173.3	176.8	-148.5	0	0	108.7	S733	S733-E746 WeakPolarHBondContact CB-OE1 3.43Å; S733-E746 PolarHBondContact OG-OE1 3.17Å
747	I	87.1	Confident	83.8	Confident	8 Å²	8	64.4 Å²	64.4	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	170.8	165.2	67.7	167.2	0	0	0	109	V692 Q694 S733 V734 Y737 I745	V692-I747 HydrophobicContact CG1-CB 4.3Å; V692-I747 HydrophobicContact CG1-CD1 3.74Å; Q694-I747 HydrophobicContact CB-CG2 3.91Å; Q694-I747 HydrophobicContact CG-CG2 4.49Å; S733-I747 WeakPolarHBondContact CA-O 3.22Å; V734-I747 HydrophobicContact CB-CD1 4.29Å; V734-I747 HydrophobicContact CB-CG1 3.85Å; V734-I747 PolarHBondContact N-O 3.08Å; V734-I747 PolarHBondContact O-N 3.32Å; Y737-I747 HydrophobicContact CD1-CD1 4.14Å; Y737-I747 HydrophobicContact CD1-CG2 3.65Å; Y737-I747 HydrophobicContact CD2-CD1 3.39Å; Y737-I747 HydrophobicContact CD2-CG1 4.34Å; Y737-I747 HydrophobicContact CE1-CG2 4.19Å; Y737-I747 HydrophobicContact CE2-CD1 3.89Å; Y737-I747 HydrophobicContact CG-CD1 3.52Å; Y737-I747 HydrophobicContact CG-CG1 4Å; Y737-I747 HydrophobicContact CG-CG2 4Å; I745-I747 HydrophobicContact CD1-CG2 3.75Å; I745-I747 HydrophobicContact CG1-CG2 4.01Å; I745-I747 PolarHBondContact O-N 2.73Å
748	S	89.2	Confident	85.2	Confident	17 Å²	17	64.1 Å²	64.1	12%	0.119	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.6	169.6	48.1	0	0	0	0	110.8	Y693 R731 E732	Y693-S748 WeakPolarHBondContact CD2-O 3.32Å; Y693-S748 PolarHBondContact N-O 2.95Å; Y693-S748 PolarHBondContact O-N 3.31Å; Y693-S748 PolarHBondContact O-OG 2.94Å; R731-S748 VanDerWaalsContact CZ-OG 3.32Å; R731-S748 PolarHBondContact NE-OG 2.89Å; R731-S748 PolarHBondContact NH2-OG 3.18Å; E732-S748 CarbonylContact O-C 3.6Å; E732-S748 WeakPolarHBondContact O-CA 3.44Å; E732-S748 WeakPolarHBondContact O-CB 3.4Å
749	R	90.8	Very high	86.6	Confident	68 Å²	68	60.5 Å²	60.5	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149.7	-178.4	-169.8	177.8	-169.4	167.4	3.6	109.2	S690 V691 R731 E732 V734	S690-R749 PolarHBondContact OG-NE 2.83Å; S690-R749 PolarHBondContact OG-NH2 3.31Å; S690-R749 VanDerWaalsContact OG-NH2 3.1Å; V691-R749 CarbonylContact O-C 3.49Å; V691-R749 WeakPolarHBondContact O-CA 3.49Å; R731-R749 WeakPolarHBondContact CA-O 3.4Å; R731-R749 WeakPolarHBondContact CG-O 3.48Å; E732-R749 HydrophobicContact CG-CB 3.84Å; E732-R749 PolarHBondContact N-O 3.06Å; E732-R749 PolarHBondContact O-N 3.3Å; E732-R749 WeakPolarHBondContact OE1-CD 3.22Å; V734-R749 HydrophobicContact CG2-CB 4.11Å
750	R	93.2	Very high	88.1	Confident	79 Å²	79	59.9 Å²	59.9	30%	0.298	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	126.4	165.5	-171.9	176.2	-174.2	-158	-4.8	110.6	V691 Y693 V729 R731 T752	V691-R750 PolarHBondContact N-O 2.76Å; V691-R750 PolarHBondContact O-N 3.4Å; Y693-R750 HydrophobicContact CE2-CB 3.88Å; V729-R750 PolarHBondContact O-NE 2.91Å; V729-R750 PolarHBondContact O-NH2 2.89Å; R731-R750 HydrophobicContact CB-CB 4.48Å; R750-T752 HydrophobicContact CG-CG2 4.44Å
751	V	94.7	Very high	89.5	Confident	20 Å²	20	50.2 Å²	50.2	12%	0.121	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	144	171.8	165	0	0	0	0	109.4	I688 R689 L728 V729	I688-V751 HydrophobicContact CG2-CG1 3.81Å; R689-V751 CarbonylContact O-C 3.47Å; L728-V751 HydrophobicContact CD1-CG1 4.3Å; L728-V751 HydrophobicContact CG-CG1 4.17Å; L728-V751 WeakPolarHBondContact O-CB 3.21Å; V729-V751 WeakPolarHBondContact CA-O 3.39Å; V729-V751 WeakPolarHBondContact CB-O 3.32Å
752	T	96.7	Very high	90.8	Very high	12 Å²	12	45.3 Å²	45.3	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.9	173.4	52.5	0	0	0	0	110.3	I688 R689 R750	I688-T752 WeakPolarHBondContact CA-O 3.15Å; R689-T752 PolarHBondContact N-O 2.89Å; R689-T752 PolarHBondContact O-N 2.89Å; R689-T752 PolarHBondContact O-OG1 3.47Å; R750-T752 HydrophobicContact CG-CG2 4.44Å
753	L	97	Very high	92.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.3	178.4	-59	171.9	0	0	0	110.4	I688 F706 L709 L756 I790 L794 L795 S796	I688-L753 HydrophobicContact CG1-CD2 4.29Å; F706-L753 HydrophobicContact CE1-CD2 4.47Å; L709-L753 HydrophobicContact CD1-CD2 4.1Å; L709-L753 HydrophobicContact CD2-CD2 4.07Å; L753-L756 HydrophobicContact CB-CD2 4.39Å; L753-L756 HydrophobicContact CD1-CD2 4.09Å; L753-I790 HydrophobicContact CD1-CG2 3.84Å; L753-L794 HydrophobicContact CD1-CB 4.25Å; L753-L794 PolarHBondContact N-O 2.81Å; L753-L795 HydrophobicContact CB-CD2 4.02Å; L753-L795 CarbonylContact O-C 3.53Å; L753-L795 WeakPolarHBondContact O-CA 3.26Å; L753-S796 PolarHBondContact O-N 3.46Å
754	E	95.4	Very high	93.3	Very high	35 Å²	35	30.8 Å²	30.8	16%	0.164	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-51	-179.2	-169.2	77	-174.6	0	0	111.4	H687 R689 L703 S796 V799	H687-E754 HydrophobicContact CB-CB 3.97Å; H687-E754 PolarHBondContact O-N 2.85Å; R689-E754 HydrophobicContact CB-CB 4.31Å; R689-E754 IonicContact CZ-OE1 3.86Å; R689-E754 IonicContact CZ-OE2 3.55Å; R689-E754 IonicContact NE-OE1 3.46Å; R689-E754 IonicContact NE-OE2 3.38Å; R689-E754 PolarHBondContact NE-OE2 3.36Å; R689-E754 IonicContact NH2-OE1 2.76Å; R689-E754 PolarHBondContact NH2-OE1 3.05Å; R689-E754 IonicContact NH2-OE2 3.73Å; L703-E754 HydrophobicContact CD2-CB 4.3Å; L703-E754 HydrophobicContact CD2-CG 3.95Å; E754-S796 WeakPolarHBondContact OE2-CB 3.46Å; E754-S796 PolarHBondContact OE2-OG 3.21Å; E754-V799 HydrophobicContact CG-CG1 4.35Å
755	E	95.5	Very high	94.2	Very high	60 Å²	60	27.5 Å²	27.5	28%	0.28	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.9	176.6	-169.1	174.5	-178.5	0	0	110.3	R677 G686 H687	R677-E755 IonicContact CZ-OE1 2.86Å; R677-E755 IonicContact NH1-OE1 3.44Å; R677-E755 PolarHBondContact NH1-OE1 3.22Å; R677-E755 IonicContact NH1-OE2 3.48Å; R677-E755 IonicContact NH2-OE1 3.45Å; R677-E755 PolarHBondContact NH2-OE1 2.85Å; G686-E755 WeakPolarHBondContact CA-O 3.43Å; H687-E755 HydrophobicContact CB-CB 3.83Å; H687-E755 IonicContact CE1-OE2 3.41Å; H687-E755 PolarHBondContact CE1-OE2 2.78Å; H687-E755 IonicContact CG-OE2 2.71Å; H687-E755 PolarHBondContact N-O 2.78Å; H687-E755 VanDerWaalsContact N-O 3.07Å; H687-E755 IonicContact ND1-OE2 3.82Å; H687-E755 PolarHBondContact ND1-OE2 2.78Å; H687-E755 PolarHBondContact O-N 3.47Å
756	L	97.5	Very high	95	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.073	12%	0.117	C	C	.	.			trans	-109.6	114.8	-175.9	-78.7	-173.2	0	0	0	111.3	L753 I790 L795 V803 R808 Y810 R872	L753-L756 HydrophobicContact CB-CD2 4.39Å; L753-L756 HydrophobicContact CD1-CD2 4.09Å; L756-I790 HydrophobicContact CD1-CB 4.44Å; L756-I790 HydrophobicContact CD1-CG2 4.36Å; L756-L795 HydrophobicContact CD1-CD2 3.97Å; L756-L795 HydrophobicContact CG-CD2 4.23Å; L756-V803 HydrophobicContact CD1-CG1 4.5Å; L756-R808 HydrophobicContact CD1-CB 3.63Å; L756-Y810 HydrophobicContact CD1-CE2 4.46Å; L756-R872 PolarHBondContact O-NH1 3.27Å
757	P	97.4	Very high	95.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	10%	0.102	C	C	.	.			trans	-67.7	148.1	-173	26.4	-34.3	0	0	0	112.2	F684 G685 F706 V759 L760 Y810 R872	F684-P757 WeakPolarHBondContact O-CB 3.49Å; G685-P757 WeakPolarHBondContact O-CB 3.33Å; F706-P757 HydrophobicContact CE2-CG 4.35Å; P757-V759 WeakPolarHBondContact CB-O 3.2Å; P757-V759 PolarHBondContact O-N 2.67Å; P757-L760 HydrophobicContact CG-CB 4.11Å; P757-L760 HydrophobicContact CG-CD1 4.03Å; P757-Y810 WeakPolarHBondContact O-CE1 3.42Å; P757-Y810 PolarHBondContact O-OH 3.34Å; P757-R872 VanDerWaalsContact O-CD 3.31Å; P757-R872 WeakPolarHBondContact O-CD 3.42Å
758	P	98	Very high	95.5	Very high	22 Å²	22	23.4 Å²	23.4	14%	0.143	11%	0.11	C	C	.	.	S	Bend	trans	-50.5	-34.6	167.6	-34.1	42.4	0	0	0	114.3	D682 I683 R872 L875	D682-P758 WeakPolarHBondContact O-CG 3.08Å; I683-P758 WeakPolarHBondContact O-CD 3.41Å; P758-R872 PolarHBondContact O-N 3.46Å; P758-L875 HydrophobicContact CB-CD1 3.63Å; P758-L875 HydrophobicContact CG-CD1 4.13Å
759	V	98.6	Very high	95.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	107.3	173.5	179.6	0	0	0	0	109.2	P514 I683 F684 P757 F813 Y870	P514-V759 HydrophobicContact CG-CG2 4.08Å; I683-V759 HydrophobicContact CG2-CB 3.97Å; I683-V759 HydrophobicContact CG2-CG2 3.79Å; I683-V759 PolarHBondContact O-N 3.33Å; F684-V759 HydrophobicContact CD1-CB 3.99Å; F684-V759 HydrophobicContact CD1-CG1 3.77Å; F684-V759 HydrophobicContact CE1-CB 4.09Å; F684-V759 HydrophobicContact CE1-CG1 3.58Å; P757-V759 WeakPolarHBondContact CB-O 3.2Å; P757-V759 PolarHBondContact O-N 2.67Å; V759-F813 HydrophobicContact CG1-CE1 3.94Å; V759-F813 HydrophobicContact CG1-CZ 3.97Å; V759-Y870 CarbonylContact C-O 3.43Å; V759-Y870 VanDerWaalsContact CA-O 3.3Å; V759-Y870 WeakPolarHBondContact CA-O 3.12Å
760	L	98.8	Very high	94.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.2	178.3	177.2	61.2	0	0	0	109.4	F706 L709 P757 L762 I790 Y810 Y870	F706-L760 HydrophobicContact CE2-CD1 4.06Å; F706-L760 HydrophobicContact CZ-CD1 4.5Å; L709-L760 HydrophobicContact CB-CD1 4.2Å; L709-L760 HydrophobicContact CD2-CD1 4.33Å; P757-L760 HydrophobicContact CG-CB 4.11Å; P757-L760 HydrophobicContact CG-CD1 4.03Å; L760-L762 HydrophobicContact CD1-CD2 3.85Å; L760-L762 HydrophobicContact CD2-CD2 3.9Å; L760-L762 HydrophobicContact CG-CD2 3.69Å; L760-L762 HydrophobicContact CG-CG 4.27Å; L760-I790 HydrophobicContact CD2-CD1 4.13Å; L760-I790 HydrophobicContact CD2-CG1 4.5Å; L760-Y810 HydrophobicContact CB-CD1 3.9Å; L760-Y810 HydrophobicContact CB-CE1 3.33Å; L760-Y810 HydrophobicContact CD2-CD1 4.48Å; L760-Y810 HydrophobicContact CD2-CD2 4.32Å; L760-Y810 HydrophobicContact CD2-CE1 4.14Å; L760-Y810 HydrophobicContact CD2-CE2 3.98Å; L760-Y810 HydrophobicContact CG-CE1 4.4Å; L760-Y870 PolarHBondContact N-O 2.94Å; L760-Y870 WeakPolarHBondContact O-CB 3.4Å; L760-Y870 PolarHBondContact O-N 2.91Å
761	V	98.8	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.6	170.5	-170.2	0	0	0	0	108.8	L605 F684 T708 L709 L867 L868 Y869	L605-V761 HydrophobicContact CD2-CG1 3.86Å; F684-V761 HydrophobicContact CD1-CG2 4.1Å; F684-V761 HydrophobicContact CE1-CG2 4.4Å; T708-V761 HydrophobicContact CG2-CB 4.3Å; T708-V761 HydrophobicContact CG2-CG1 4.19Å; L709-V761 PolarHBondContact N-O 3.43Å; V761-L867 HydrophobicContact CG1-CB 4.47Å; V761-L868 WeakPolarHBondContact CA-O 3.25Å; V761-Y869 HydrophobicContact CG1-CD1 4.26Å; V761-Y869 HydrophobicContact CG1-CE1 4.1Å; V761-Y869 HydrophobicContact CG1-CE2 4.43Å; V761-Y869 HydrophobicContact CG2-CD1 3.68Å; V761-Y869 HydrophobicContact CG2-CE1 3.82Å; V761-Y869 HydrophobicContact CG2-CG 4.47Å
762	L	98.9	Very high	93	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.7	174.4	-51.9	-179.9	0	0	0	109.1	L709 L711 V721 L760 L788 L867 L868 Y870	L709-L762 HydrophobicContact CB-CD2 3.82Å; L709-L762 HydrophobicContact CD2-CD2 3.88Å; L709-L762 HydrophobicContact CG-CD2 4.32Å; L711-L762 HydrophobicContact CD1-CB 4.13Å; L711-L762 HydrophobicContact CD1-CD1 4.19Å; L711-L762 HydrophobicContact CD1-CD2 4.41Å; L711-L762 HydrophobicContact CD1-CG 4.48Å; V721-L762 HydrophobicContact CG1-CD1 3.52Å; L760-L762 HydrophobicContact CD1-CD2 3.85Å; L760-L762 HydrophobicContact CD2-CD2 3.9Å; L760-L762 HydrophobicContact CG-CD2 3.69Å; L760-L762 HydrophobicContact CG-CG 4.27Å; L762-L788 HydrophobicContact CD1-CD2 4.01Å; L762-L867 WeakPolarHBondContact O-CA 3.25Å; L762-L868 HydrophobicContact CB-CB 4.26Å; L762-L868 PolarHBondContact N-O 2.87Å; L762-L868 PolarHBondContact O-N 3.03Å; L762-Y870 HydrophobicContact CD1-CD2 4.01Å; L762-Y870 HydrophobicContact CD1-CE2 3.8Å; L762-Y870 HydrophobicContact CG-CD2 4.25Å; L762-Y870 HydrophobicContact CG-CE2 4.44Å
763	H	98.6	Very high	91.7	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.7	171.1	164.9	-162.1	0	0	0	108.6	E602 L709 Q710 L711 Y866 L867	E602-H763 HydrophobicContact CG-CB 4.11Å; E602-H763 IonicContact OE1-CE1 3.22Å; E602-H763 IonicContact OE1-CG 3.53Å; E602-H763 IonicContact OE1-ND1 3Å; E602-H763 PolarHBondContact OE1-ND1 3.15Å; E602-H763 IonicContact OE2-CE1 2.79Å; E602-H763 IonicContact OE2-ND1 3.59Å; E602-H763 PolarHBondContact OE2-ND1 3.06Å; L709-H763 PolarHBondContact O-N 3.01Å; Q710-H763 HydrophobicContact CG-CB 4.37Å; L711-H763 PolarHBondContact N-O 2.83Å; H763-Y866 AromaticContact CD2-CE2 3.52Å; H763-Y866 AromaticContact CD2-CZ 3.66Å; H763-Y866 PolarHBondContact CE1-OH 3.08Å; H763-Y866 AromaticContact NE2-CE2 3.38Å; H763-Y866 WeakPolarHBondContact NE2-CE2 3.26Å; H763-Y866 AromaticContact NE2-CZ 3.43Å; H763-Y866 PolarHBondContact NE2-OH 3.17Å; H763-L867 HydrophobicContact CB-CD2 3.77Å
764	L	98.1	Very high	91	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	106.8	171.8	-60.5	-172.7	0	0	0	109.5	L711 I713 V721 R766 I782 Y866 L868	L711-L764 HydrophobicContact CB-CD2 4.26Å; L711-L764 HydrophobicContact CD1-CD2 4.02Å; I713-L764 HydrophobicContact CD1-CB 4.01Å; I713-L764 HydrophobicContact CG2-CD2 4.21Å; V721-L764 HydrophobicContact CG2-CD2 4.24Å; L764-R766 VanDerWaalsContact C-N 3.34Å; L764-R766 PolarHBondContact O-N 3.23Å; L764-I782 HydrophobicContact CD1-CB 4.11Å; L764-I782 HydrophobicContact CD1-CG2 3.85Å; L764-I782 HydrophobicContact CD2-CG2 4.18Å; L764-Y866 PolarHBondContact N-O 3.39Å; L764-Y866 WeakPolarHBondContact O-CD2 3.46Å; L764-Y866 WeakPolarHBondContact O-CE2 3.03Å; L764-L868 HydrophobicContact CD1-CD1 4.28Å; L764-L868 HydrophobicContact CG-CD1 4.47Å
765	K	96.1	Very high	90.4	Very high	74 Å²	74	33.2 Å²	33.2	32%	0.322	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	88.7	-178.1	-78.8	-179.6	155.6	160.4	0	111.6	Q710 L711 I713	Q710-K765 HydrophobicContact CB-CD 4.31Å; L711-K765 WeakPolarHBondContact O-CB 3.31Å; L711-K765 PolarHBondContact O-N 2.8Å; I713-K765 WeakPolarHBondContact CG1-O 3.2Å
766	R	94.1	Very high	89.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.			trans	-95.6	-27.6	-178.9	-74.7	-174.7	-174	-78.1	-1.1	113.9	I713 L764 V768 K777 L778 K780 A865 Y866	I713-R766 HydrophobicContact CD1-CG 3.78Å; L764-R766 VanDerWaalsContact C-N 3.34Å; L764-R766 PolarHBondContact O-N 3.23Å; R766-V768 PolarHBondContact O-N 2.95Å; R766-K777 CarbonylContact O-C 3.5Å; R766-K777 WeakPolarHBondContact O-CA 3.45Å; R766-L778 PolarHBondContact NH1-O 3.05Å; R766-L778 PolarHBondContact O-N 3.19Å; R766-K780 PolarHBondContact NH1-O 3.39Å; R766-A865 PolarHBondContact NE-O 3.22Å; R766-A865 PolarHBondContact NH2-O 2.91Å; R766-Y866 HydrophobicContact CB-CD2 4.32Å; R766-Y866 HydrophobicContact CB-CE2 4.44Å; R766-Y866 HydrophobicContact CG-CD2 4.45Å
767	F	91	Very high	89.6	Confident	41 Å²	41	34.6 Å²	34.6	18%	0.18	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.7	175.8	-51.1	-51	0	0	0	107.9	D600 Q776 K777 H818 A823 Y866	D600-F767 VanDerWaalsContact OD2-CD2 3.29Å; D600-F767 WeakPolarHBondContact OD2-CD2 3.1Å; F767-Q776 WeakPolarHBondContact CA-O 3.36Å; F767-K777 HydrophobicContact CD1-CB 4.22Å; F767-K777 HydrophobicContact CD1-CG 4.2Å; F767-K777 HydrophobicContact CE1-CB 4.29Å; F767-K777 HydrophobicContact CE1-CD 4.19Å; F767-K777 HydrophobicContact CE1-CG 3.96Å; F767-H818 AromaticContact CE1-CE1 3.9Å; F767-H818 AromaticContact CE1-ND1 3.5Å; F767-H818 WeakPolarHBondContact CE1-ND1 3.4Å; F767-H818 AromaticContact CZ-CE1 3.82Å; F767-H818 AromaticContact CZ-ND1 3.35Å; F767-H818 WeakPolarHBondContact CZ-ND1 3.49Å; F767-A823 HydrophobicContact CB-CB 4.23Å; F767-A823 HydrophobicContact CD1-CB 3.45Å; F767-A823 VanDerWaalsContact CD1-CB 3.45Å; F767-A823 HydrophobicContact CE1-CB 4.04Å; F767-A823 HydrophobicContact CG-CB 4Å; F767-Y866 HydrophobicContact CD2-CE2 4.23Å; F767-Y866 HydrophobicContact CE2-CE1 4.3Å; F767-Y866 AromaticContact CE2-CE2 3.91Å; F767-Y866 HydrophobicContact CE2-CE2 3.91Å; F767-Y866 AromaticContact CE2-CZ 3.73Å
768	V	86.4	Confident	89.4	Confident	33 Å²	33	36.6 Å²	36.6	20%	0.2	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.4	-172.5	179	0	0	0	0	107.1	Q714 R766 Q776	Q714-V768 HydrophobicContact CG-CG1 4.34Å; Q714-V768 HydrophobicContact CG-CG2 3.85Å; Q714-V768 VanDerWaalsContact OE1-CG1 3.23Å; R766-V768 PolarHBondContact O-N 2.95Å; V768-Q776 PolarHBondContact N-O 2.78Å; V768-Q776 PolarHBondContact O-N 2.79Å
769	F	82.7	Confident	89.1	Confident	58 Å²	58	38.2 Å²	38.2	25%	0.254	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.6	176.8	-158.1	-71.5	0	0	0	110.7	A101 P102 E103 G774 C775	A101-F769 HydrophobicContact CB-CB 3.35Å; A101-F769 HydrophobicContact CB-CD1 3.71Å; A101-F769 HydrophobicContact CB-CD2 3.62Å; A101-F769 HydrophobicContact CB-CE2 4.45Å; A101-F769 HydrophobicContact CB-CG 3.2Å; P102-F769 WeakPolarHBondContact O-CE1 3.48Å; E103-F769 HydrophobicContact CB-CZ 3.99Å; E103-F769 HydrophobicContact CG-CE2 4.02Å; E103-F769 HydrophobicContact CG-CZ 3.59Å; E103-F769 VanDerWaalsContact OE1-CE2 3.27Å; E103-F769 WeakPolarHBondContact OE1-CE2 3.35Å; E103-F769 VanDerWaalsContact OE1-CZ 3.26Å; E103-F769 WeakPolarHBondContact OE1-CZ 3.4Å; F769-G774 VanDerWaalsContact CZ-CA 3.48Å; F769-C775 HydrophobicContact CD2-CB 3.92Å; F769-C775 HydrophobicContact CE2-CB 4.11Å
770	E	78.9	Confident	88.8	Confident	96 Å²	96	39.8 Å²	39.8	45%	0.449	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.3	171.6	-164.8	-177.3	-155.6	0	0	110	T772 G773 G774 Q776	E770-T772 WeakPolarHBondContact CG-OG1 3.43Å; E770-T772 CarbonylContact O-C 3.54Å; E770-T772 PolarHBondContact O-N 2.98Å; E770-T772 PolarHBondContact OE2-OG1 3.41Å; E770-G773 PolarHBondContact O-N 2.81Å; E770-G774 PolarHBondContact N-O 3.49Å; E770-G774 PolarHBondContact O-N 3.34Å; E770-Q776 PolarHBondContact OE2-NE2 2.71Å
771	K	78.4	Confident	88.5	Confident	129 Å²	129	43.2 Å²	43.2	56%	0.561	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-28.1	-179.8	-65.7	-173.6	177.9	-174.3	0	113.7
772	T	76.9	Confident	88.4	Confident	63 Å²	63	43.2 Å²	43.2	39%	0.387	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-72.2	170.6	44.1	0	0	0	0	110.5	I105 E770 G774	I105-T772 WeakPolarHBondContact CB-O 3.22Å; I105-T772 VanDerWaalsContact CG1-O 3.3Å; I105-T772 WeakPolarHBondContact CG1-O 3.33Å; E770-T772 WeakPolarHBondContact CG-OG1 3.43Å; E770-T772 CarbonylContact O-C 3.54Å; E770-T772 PolarHBondContact O-N 2.98Å; E770-T772 PolarHBondContact OE2-OG1 3.41Å; T772-G774 PolarHBondContact O-N 3.42Å
773	G	69.4	Low	88.4	Confident	35 Å²	35	47.4 Å²	47.4	36%	0.361	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	2.4	-167	0	0	0	0	0	118	E770	E770-G773 PolarHBondContact O-N 2.81Å
774	G	81.6	Confident	88.3	Confident	9 Å²	9	47.4 Å²	47.4	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-159.2	-176.7	0	0	0	0	0	112.6	F769 E770 T772 Q776	F769-G774 VanDerWaalsContact CZ-CA 3.48Å; E770-G774 PolarHBondContact N-O 3.49Å; E770-G774 PolarHBondContact O-N 3.34Å; T772-G774 PolarHBondContact O-N 3.42Å; G774-Q776 PolarHBondContact O-N 2.97Å
775	C	82.4	Confident	88.3	Confident	50 Å²	50	50 Å²	50	34%	0.338	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	108.3	176.2	-165.1	0	0	0	0	112	F769 A823	F769-C775 HydrophobicContact CD2-CB 3.92Å; F769-C775 HydrophobicContact CE2-CB 4.11Å; C775-A823 HydrophobicContact CB-CB 4.26Å; C775-A823 WeakPolarHBondContact SG-CB 3.37Å
776	Q	85.8	Confident	88.4	Confident	88 Å²	88	47.2 Å²	47.2	41%	0.411	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	153.4	-177.7	-71.1	176.8	70.3	0	0	112.3	F767 V768 E770 G774	F767-Q776 WeakPolarHBondContact CA-O 3.36Å; V768-Q776 PolarHBondContact N-O 2.78Å; V768-Q776 PolarHBondContact O-N 2.79Å; E770-Q776 PolarHBondContact OE2-NE2 2.71Å; G774-Q776 PolarHBondContact O-N 2.97Å
777	K	91.4	Very high	88.6	Confident	14 Å²	14	51 Å²	51	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.3	174.4	-175.9	-174.8	177.2	-178.6	0	111.3	R766 F767 T779 H818 H819 G820 T864	R766-K777 CarbonylContact O-C 3.5Å; R766-K777 WeakPolarHBondContact O-CA 3.45Å; F767-K777 HydrophobicContact CD1-CB 4.22Å; F767-K777 HydrophobicContact CD1-CG 4.2Å; F767-K777 HydrophobicContact CE1-CB 4.29Å; F767-K777 HydrophobicContact CE1-CD 4.19Å; F767-K777 HydrophobicContact CE1-CG 3.96Å; K777-T779 PolarHBondContact O-N 3.17Å; K777-H818 WeakPolarHBondContact CE-ND1 3.49Å; K777-H818 VanDerWaalsContact NZ-C 3.29Å; K777-H818 PolarHBondContact NZ-ND1 2.82Å; K777-H818 VanDerWaalsContact NZ-ND1 3.17Å; K777-H818 PolarHBondContact NZ-O 2.88Å; K777-H819 VanDerWaalsContact NZ-C 3.28Å; K777-H819 PolarHBondContact NZ-O 3Å; K777-G820 WeakPolarHBondContact CD-O 3.41Å; K777-G820 WeakPolarHBondContact CE-O 3.39Å; K777-G820 PolarHBondContact NZ-O 3.33Å; K777-T864 VanDerWaalsContact CE-OG1 3.26Å; K777-T864 WeakPolarHBondContact CE-OG1 3.44Å
778	L	92.2	Very high	88.9	Confident	44 Å²	44	49.2 Å²	49.2	23%	0.23	27%	0.268	C	S	.	.			trans	-72	98.8	173.1	-169.5	67.6	0	0	0	110.9	I713 R766 K780	I713-L778 HydrophobicContact CD1-CD2 4.04Å; I713-L778 HydrophobicContact CG1-CD2 3.99Å; I713-L778 VanDerWaalsContact O-CD2 3.27Å; I713-L778 WeakPolarHBondContact O-CD2 3.45Å; R766-L778 PolarHBondContact NH1-O 3.05Å; R766-L778 PolarHBondContact O-N 3.19Å; L778-K780 VanDerWaalsContact C-N 3.29Å; L778-K780 HydrophobicContact CD1-CD 4.35Å; L778-K780 HydrophobicContact CD1-CG 4.43Å; L778-K780 HydrophobicContact CD2-CD 4.12Å; L778-K780 HydrophobicContact CD2-CG 4.2Å; L778-K780 HydrophobicContact CG-CD 4.3Å; L778-K780 HydrophobicContact CG-CG 4.05Å; L778-K780 PolarHBondContact O-N 2.95Å
779	T	91.3	Very high	89.5	Confident	55 Å²	55	50.8 Å²	50.8	34%	0.337	27%	0.273	S	S	.	.			trans	-79	-2.1	-177.1	51.6	0	0	0	0	114.7	K777	K777-T779 PolarHBondContact O-N 3.17Å
780	K	92.5	Very high	90.2	Very high	33 Å²	33	48 Å²	48	14%	0.143	26%	0.261	C	S	.	.			trans	-65.9	148.2	-175.1	87	-179.7	-174.1	-179.2	0	112.9	I713 Q714 S715 I718 R766 L778	I713-K780 WeakPolarHBondContact O-CE 3.18Å; I713-K780 PolarHBondContact O-NZ 2.75Å; Q714-K780 PolarHBondContact O-NZ 2.8Å; S715-K780 PolarHBondContact O-NZ 2.69Å; I718-K780 VanDerWaalsContact O-CE 3.26Å; I718-K780 WeakPolarHBondContact O-CE 3.21Å; I718-K780 PolarHBondContact O-NZ 2.77Å; R766-K780 PolarHBondContact NH1-O 3.39Å; L778-K780 VanDerWaalsContact C-N 3.29Å; L778-K780 HydrophobicContact CD1-CD 4.35Å; L778-K780 HydrophobicContact CD1-CG 4.43Å; L778-K780 HydrophobicContact CD2-CD 4.12Å; L778-K780 HydrophobicContact CD2-CG 4.2Å; L778-K780 HydrophobicContact CG-CD 4.3Å; L778-K780 HydrophobicContact CG-CG 4.05Å; L778-K780 PolarHBondContact O-N 2.95Å
781	N	93.9	Very high	91	Very high	73 Å²	73	45.3 Å²	45.3	39%	0.39	25%	0.253	S	S	.	.			trans	-66.7	134.7	173.5	-69.7	1.6	0	0	0	111	Q859	N781-Q859 HydrophobicContact CB-CB 4.46Å
782	I	96.7	Very high	91.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.241	C	C	.	.			trans	-128.2	103.6	169.6	-69.1	-63	0	0	0	107.2	I713 I718 R719 V721 L764 Y784 Q859	I713-I782 HydrophobicContact CB-CD1 4.05Å; I713-I782 HydrophobicContact CB-CG1 4.15Å; I713-I782 HydrophobicContact CD1-CG1 3.83Å; I713-I782 HydrophobicContact CG2-CD1 4.07Å; I713-I782 HydrophobicContact CG2-CG1 4.1Å; I718-I782 HydrophobicContact CG2-CD1 4.01Å; I718-I782 WeakPolarHBondContact O-CD1 3.41Å; R719-I782 CarbonylContact O-C 3.55Å; R719-I782 WeakPolarHBondContact O-CA 3.26Å; V721-I782 HydrophobicContact CG2-CG2 4.01Å; L764-I782 HydrophobicContact CD1-CB 4.11Å; L764-I782 HydrophobicContact CD1-CG2 3.85Å; L764-I782 HydrophobicContact CD2-CG2 4.18Å; I782-Y784 WeakPolarHBondContact O-CD1 3.1Å; I782-Q859 VanDerWaalsContact N-NE2 3.18Å; I782-Q859 VanDerWaalsContact O-CD 3.32Å; I782-Q859 PolarHBondContact O-NE2 3.17Å; I782-Q859 PolarHBondContact O-OE1 2.87Å
783	D	97.2	Very high	92.7	Very high	88 Å²	88	44.2 Å²	44.2	47%	0.471	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-74.2	139.1	-175.5	-70.3	-36.7	0	0	0	111.7	R719 T720 V721 Q859	R719-D783 PolarHBondContact O-N 3.21Å; T720-D783 CarbonylContact C-O 3.52Å; T720-D783 VanDerWaalsContact CA-O 3.24Å; T720-D783 WeakPolarHBondContact CA-O 3.23Å; T720-D783 HydrophobicContact CG2-CB 4.42Å; V721-D783 PolarHBondContact N-O 2.91Å; D783-Q859 PolarHBondContact OD1-NE2 2.99Å
784	Y	98.1	Very high	94	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.047	23%	0.231	C	C	.	.			trans	-134.8	133.7	-176.7	56.3	-85.9	0	0	0	109.7	I782 L812 V815 Y817 V856 L857 Q859 A865 L868	I782-Y784 WeakPolarHBondContact O-CD1 3.1Å; Y784-L812 HydrophobicContact CD2-CD2 3.89Å; Y784-L812 HydrophobicContact CE2-CD2 3.72Å; Y784-V815 HydrophobicContact CE2-CG2 3.91Å; Y784-Y817 PolarHBondContact OH-OH 3.22Å; Y784-V856 PolarHBondContact OH-O 3.2Å; Y784-L857 HydrophobicContact CD2-CD2 4.13Å; Y784-L857 HydrophobicContact CE2-CD2 3.81Å; Y784-L857 WeakPolarHBondContact O-CD2 3.3Å; Y784-Q859 HydrophobicContact CE1-CG 4.39Å; Y784-A865 HydrophobicContact CD1-CB 4.34Å; Y784-A865 HydrophobicContact CE1-CB 3.61Å; Y784-L868 HydrophobicContact CD1-CD1 4.34Å; Y784-L868 HydrophobicContact CD1-CD2 4.03Å; Y784-L868 HydrophobicContact CD2-CD1 4.43Å; Y784-L868 HydrophobicContact CD2-CD2 3.73Å; Y784-L868 HydrophobicContact CE1-CD2 4.19Å; Y784-L868 HydrophobicContact CE2-CD2 3.88Å; Y784-L868 HydrophobicContact CG-CD1 3.93Å; Y784-L868 HydrophobicContact CG-CD2 3.83Å
785	P	97.6	Very high	94.7	Very high	56 Å²	56	42.4 Å²	42.4	36%	0.364	23%	0.227	S	C	.	.			trans	-80.7	158.4	179.8	34.6	-36	0	0	0	111	D787 L788 Y870	P785-D787 WeakPolarHBondContact CB-O 3.48Å; P785-L788 HydrophobicContact CG-CB 3.98Å; P785-L788 HydrophobicContact CG-CD1 3.89Å; P785-Y870 WeakPolarHBondContact O-CE1 3.28Å; P785-Y870 PolarHBondContact O-OH 2.84Å
786	V	97.7	Very high	95.2	Very high	15 Å²	15	40.2 Å²	40.2	9%	0.091	21%	0.212	C	C	.	.	S	Bend	trans	-70.2	-38.1	168.3	175.5	0	0	0	0	110.8	R811 L812 Q853 L857	V786-R811 HydrophobicContact CG1-CG 4.44Å; V786-R811 CarbonylContact O-C 3.59Å; V786-R811 WeakPolarHBondContact O-CA 3.38Å; V786-L812 WeakPolarHBondContact O-CB 3.33Å; V786-L812 PolarHBondContact O-N 2.86Å; V786-Q853 HydrophobicContact CG2-CG 4.02Å; V786-L857 HydrophobicContact CG2-CD1 4.05Å; V786-L857 HydrophobicContact CG2-CD2 3.94Å; V786-L857 HydrophobicContact CG2-CG 4.35Å
787	D	97.9	Very high	95.3	Very high	78 Å²	78	40.2 Å²	40.2	42%	0.417	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.7	177.5	-63	-60	0	0	0	108.5	P785 Y810 R811	P785-D787 WeakPolarHBondContact CB-O 3.48Å; D787-Y810 CarbonylContact C-O 3.57Å; D787-Y810 WeakPolarHBondContact CA-O 3.4Å; D787-R811 IonicContact OD1-CZ 3.75Å; D787-R811 IonicContact OD1-NE 3.23Å; D787-R811 PolarHBondContact OD1-NE 2.83Å; D787-R811 IonicContact OD1-NH2 3.99Å; D787-R811 PolarHBondContact OD1-NH2 3.46Å; D787-R811 IonicContact OD2-CZ 3.93Å; D787-R811 IonicContact OD2-NE 2.77Å; D787-R811 IonicContact OD2-NH2 3.59Å; D787-R811 PolarHBondContact OD2-NH2 3Å
788	L	98.3	Very high	95.1	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.5	-172.2	175.7	65.2	0	0	0	110.3	V721 L725 L762 P785 I790 T809 Y810 Y870	V721-L788 HydrophobicContact CG1-CD2 4.4Å; L725-L788 HydrophobicContact CD1-CD2 4.49Å; L762-L788 HydrophobicContact CD1-CD2 4.01Å; P785-L788 HydrophobicContact CG-CB 3.98Å; P785-L788 HydrophobicContact CG-CD1 3.89Å; L788-I790 HydrophobicContact CD2-CD1 4.02Å; L788-I790 HydrophobicContact CG-CD1 4.2Å; L788-T809 CarbonylContact O-C 3.54Å; L788-T809 WeakPolarHBondContact O-CA 3.43Å; L788-Y810 PolarHBondContact N-O 2.59Å; L788-Y810 PolarHBondContact O-N 3.07Å; L788-Y870 HydrophobicContact CB-CD1 4.09Å; L788-Y870 HydrophobicContact CB-CE1 3.64Å; L788-Y870 HydrophobicContact CD2-CD1 4.32Å; L788-Y870 HydrophobicContact CD2-CD2 4.28Å; L788-Y870 HydrophobicContact CD2-CE1 4.08Å; L788-Y870 HydrophobicContact CD2-CE2 4Å; L788-Y870 HydrophobicContact CD2-CG 4.43Å
789	E	97.9	Very high	95.1	Very high	66 Å²	66	39.6 Å²	39.6	31%	0.308	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.9	169.1	-177.3	172	-169.8	0	0	110.6	S791 K805 R808	E789-S791 PolarHBondContact O-N 3.12Å; E789-K805 WeakPolarHBondContact OE1-CD 3.22Å; E789-K805 IonicContact OE1-NZ 3.38Å; E789-K805 WeakPolarHBondContact OE2-CE 3.37Å; E789-K805 IonicContact OE2-NZ 2.64Å; E789-K805 PolarHBondContact OE2-NZ 3.48Å; E789-R808 HydrophobicContact CG-CG 4.47Å; E789-R808 IonicContact OE1-CZ 3.91Å; E789-R808 IonicContact OE1-NE 2.86Å; E789-R808 PolarHBondContact OE1-NE 3.07Å; E789-R808 IonicContact OE1-NH2 2.61Å; E789-R808 PolarHBondContact OE1-NH2 2.84Å
790	I	97.8	Very high	95	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.			trans	-64.9	116.9	169.5	-54.9	-57.6	0	0	0	107.5	L725 L753 L756 L760 L788 L794 L795 R808 Y810	L725-I790 HydrophobicContact CD1-CD1 3.77Å; L753-I790 HydrophobicContact CD1-CG2 3.84Å; L756-I790 HydrophobicContact CD1-CB 4.44Å; L756-I790 HydrophobicContact CD1-CG2 4.36Å; L760-I790 HydrophobicContact CD2-CD1 4.13Å; L760-I790 HydrophobicContact CD2-CG1 4.5Å; L788-I790 HydrophobicContact CD2-CD1 4.02Å; L788-I790 HydrophobicContact CG-CD1 4.2Å; I790-L794 HydrophobicContact CG2-CB 4.29Å; I790-L794 HydrophobicContact CG2-CD1 3.85Å; I790-L795 HydrophobicContact CG2-CD2 4.24Å; I790-R808 HydrophobicContact CB-CB 4.27Å; I790-R808 PolarHBondContact N-O 2.93Å; I790-R808 WeakPolarHBondContact O-CD 3.26Å; I790-Y810 HydrophobicContact CG1-CD2 3.99Å; I790-Y810 HydrophobicContact CG1-CE2 3.86Å
791	S	96	Very high	94.9	Very high	39 Å²	39	43.1 Å²	43.1	27%	0.273	25%	0.248	S	C	.	.			trans	-62.8	144.8	-179.7	174	0	0	0	0	111.4	E789 D793 L794	E789-S791 PolarHBondContact O-N 3.12Å; S791-D793 PolarHBondContact O-N 3.32Å; S791-D793 VanDerWaalsContact O-N 3.11Å; S791-D793 PolarHBondContact OG-N 3.37Å; S791-L794 WeakPolarHBondContact O-CB 3.44Å; S791-L794 WeakPolarHBondContact O-CG 3.49Å; S791-L794 PolarHBondContact O-N 2.77Å; S791-L794 VanDerWaalsContact O-N 3.13Å
792	K	95.7	Very high	94.8	Very high	73 Å²	73	46.8 Å²	46.8	32%	0.317	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.2	174.8	-79.6	-159.7	170	-138.1	0	112.8	L794 L795 R800	K792-L794 VanDerWaalsContact C-N 3.31Å; K792-L795 WeakPolarHBondContact O-CB 3.38Å; K792-L795 PolarHBondContact O-N 3.43Å; K792-R800 HydrophobicContact CB-CG 4.13Å; K792-R800 HydrophobicContact CD-CG 4.47Å; K792-R800 PolarHBondContact NZ-O 3.1Å; K792-R800 WeakPolarHBondContact O-CG 3.14Å; K792-R800 VanDerWaalsContact O-CZ 3.3Å; K792-R800 PolarHBondContact O-NE 3.47Å; K792-R800 VanDerWaalsContact O-NE 3.09Å; K792-R800 PolarHBondContact O-NH2 3.49Å
793	D	94.9	Very high	94.5	Very high	96 Å²	96	48 Å²	48	51%	0.513	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-77.2	-16.9	-178.5	-70.4	-67.6	0	0	0	114.5	S791 R800	S791-D793 PolarHBondContact O-N 3.32Å; S791-D793 VanDerWaalsContact O-N 3.11Å; S791-D793 PolarHBondContact OG-N 3.37Å; D793-R800 PolarHBondContact O-NH2 3.47Å; D793-R800 IonicContact OD1-CZ 3.54Å; D793-R800 IonicContact OD1-NH1 3.56Å; D793-R800 PolarHBondContact OD1-NH1 3.07Å; D793-R800 IonicContact OD1-NH2 2.68Å
794	L	96.4	Very high	94.3	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-78.8	-22.2	171.5	-43.6	178.4	0	0	0	112.2	L725 E726 V729 L753 I790 S791 K792	L725-L794 HydrophobicContact CB-CD1 4.05Å; E726-L794 HydrophobicContact CB-CD2 4.47Å; E726-L794 HydrophobicContact CG-CD2 3.71Å; V729-L794 HydrophobicContact CG1-CB 4.2Å; V729-L794 HydrophobicContact CG2-CB 4.37Å; V729-L794 HydrophobicContact CG2-CD2 3.43Å; V729-L794 VanDerWaalsContact CG2-CD2 3.43Å; V729-L794 HydrophobicContact CG2-CG 4.49Å; L753-L794 HydrophobicContact CD1-CB 4.25Å; L753-L794 PolarHBondContact N-O 2.81Å; I790-L794 HydrophobicContact CG2-CB 4.29Å; I790-L794 HydrophobicContact CG2-CD1 3.85Å; S791-L794 WeakPolarHBondContact O-CB 3.44Å; S791-L794 WeakPolarHBondContact O-CG 3.49Å; S791-L794 PolarHBondContact O-N 2.77Å; S791-L794 VanDerWaalsContact O-N 3.13Å; K792-L794 VanDerWaalsContact C-N 3.31Å
795	L	96.6	Very high	94.1	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-79.4	144.9	179.4	-54.2	-176.1	0	0	0	111.4	L753 L756 I790 K792 V799 R800 V803	L753-L795 HydrophobicContact CB-CD2 4.02Å; L753-L795 CarbonylContact O-C 3.53Å; L753-L795 WeakPolarHBondContact O-CA 3.26Å; L756-L795 HydrophobicContact CD1-CD2 3.97Å; L756-L795 HydrophobicContact CG-CD2 4.23Å; I790-L795 HydrophobicContact CG2-CD2 4.24Å; K792-L795 WeakPolarHBondContact O-CB 3.38Å; K792-L795 PolarHBondContact O-N 3.43Å; L795-V799 HydrophobicContact CB-CG2 4.11Å; L795-R800 HydrophobicContact CB-CB 4.35Å; L795-R800 PolarHBondContact O-NE 2.9Å; L795-R800 PolarHBondContact O-NH2 2.77Å; L795-V803 HydrophobicContact CD1-CB 3.87Å; L795-V803 HydrophobicContact CD1-CG1 4.07Å; L795-V803 HydrophobicContact CD1-CG2 4.2Å
796	S	93.5	Very high	93.8	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.028	29%	0.291	C	S	.	.			trans	-59.8	152.5	174.1	102.4	0	0	0	0	112	L753 E754 G798 V799 R800	L753-S796 PolarHBondContact O-N 3.46Å; E754-S796 WeakPolarHBondContact OE2-CB 3.46Å; E754-S796 PolarHBondContact OE2-OG 3.21Å; S796-G798 PolarHBondContact O-N 3.18Å; S796-G798 VanDerWaalsContact O-N 3.14Å; S796-G798 PolarHBondContact OG-N 3.31Å; S796-V799 PolarHBondContact O-N 2.88Å; S796-R800 WeakPolarHBondContact O-CB 3.3Å; S796-R800 PolarHBondContact O-N 3.45Å
797	S	88.9	Confident	93.7	Very high	89 Å²	89	54.9 Å²	54.9	62%	0.622	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.8	-179	-56.6	0	0	0	0	113.6
798	G	86.7	Confident	93.6	Very high	28 Å²	28	52.4 Å²	52.4	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-19.1	-178.1	0	0	0	0	0	115	S796 K802	S796-G798 PolarHBondContact O-N 3.18Å; S796-G798 VanDerWaalsContact O-N 3.14Å; S796-G798 PolarHBondContact OG-N 3.31Å; G798-K802 WeakPolarHBondContact O-CE 3.27Å; G798-K802 PolarHBondContact O-NZ 3.24Å
799	V	92.1	Very high	93.6	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.097	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-21.5	-175.5	-54.3	0	0	0	0	113.5	E754 L795 S796 S801 K802 V803	E754-V799 HydrophobicContact CG-CG1 4.35Å; L795-V799 HydrophobicContact CB-CG2 4.11Å; S796-V799 PolarHBondContact O-N 2.88Å; V799-S801 PolarHBondContact O-N 2.93Å; V799-K802 WeakPolarHBondContact O-CA 3.46Å; V799-K802 WeakPolarHBondContact O-CB 3.44Å; V799-K802 PolarHBondContact O-N 2.92Å; V799-V803 HydrophobicContact CB-CG2 4.28Å; V799-V803 HydrophobicContact CG2-CG2 4.49Å; V799-V803 PolarHBondContact O-N 3.44Å
800	R	89.7	Confident	93.7	Very high	66 Å²	66	50.1 Å²	50.1	25%	0.249	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-32.3	-177.6	-176.1	-179.7	-60.6	-144.4	-10.4	115.8	K792 D793 L795 S796	K792-R800 HydrophobicContact CB-CG 4.13Å; K792-R800 HydrophobicContact CD-CG 4.47Å; K792-R800 PolarHBondContact NZ-O 3.1Å; K792-R800 WeakPolarHBondContact O-CG 3.14Å; K792-R800 VanDerWaalsContact O-CZ 3.3Å; K792-R800 PolarHBondContact O-NE 3.47Å; K792-R800 VanDerWaalsContact O-NE 3.09Å; K792-R800 PolarHBondContact O-NH2 3.49Å; D793-R800 PolarHBondContact O-NH2 3.47Å; D793-R800 IonicContact OD1-CZ 3.54Å; D793-R800 IonicContact OD1-NH1 3.56Å; D793-R800 PolarHBondContact OD1-NH1 3.07Å; D793-R800 IonicContact OD1-NH2 2.68Å; L795-R800 HydrophobicContact CB-CB 4.35Å; L795-R800 PolarHBondContact O-NE 2.9Å; L795-R800 PolarHBondContact O-NH2 2.77Å; S796-R800 WeakPolarHBondContact O-CB 3.3Å; S796-R800 PolarHBondContact O-N 3.45Å
801	S	88.9	Confident	93.7	Very high	97 Å²	97	54.9 Å²	54.9	68%	0.678	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-31.1	175.7	52.2	0	0	0	0	113.3	V799	V799-S801 PolarHBondContact O-N 2.93Å
802	K	91.8	Very high	93.8	Very high	150 Å²	150	53.1 Å²	53.1	65%	0.652	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-39.6	-176	-55.6	174.6	-175.8	165	0	112.4	G798 V799 L804	G798-K802 WeakPolarHBondContact O-CE 3.27Å; G798-K802 PolarHBondContact O-NZ 3.24Å; V799-K802 WeakPolarHBondContact O-CA 3.46Å; V799-K802 WeakPolarHBondContact O-CB 3.44Å; V799-K802 PolarHBondContact O-N 2.92Å; K802-L804 PolarHBondContact O-N 3.1Å
803	V	91.8	Very high	93.9	Very high	24 Å²	24	50.5 Å²	50.5	15%	0.145	27%	0.269	C	S	.	.			trans	-73.7	116.2	-175.2	-179	0	0	0	0	111.6	L756 L795 V799 Q807 R808	L756-V803 HydrophobicContact CD1-CG1 4.5Å; L795-V803 HydrophobicContact CD1-CB 3.87Å; L795-V803 HydrophobicContact CD1-CG1 4.07Å; L795-V803 HydrophobicContact CD1-CG2 4.2Å; V799-V803 HydrophobicContact CB-CG2 4.28Å; V799-V803 HydrophobicContact CG2-CG2 4.49Å; V799-V803 PolarHBondContact O-N 3.44Å; V803-Q807 HydrophobicContact CG1-CB 3.97Å; V803-R808 HydrophobicContact CG1-CB 4Å; V803-R808 PolarHBondContact O-NH1 3.45Å
804	L	93	Very high	94.1	Very high	116 Å²	116	46 Å²	46	61%	0.607	25%	0.245	S	C	*	.			trans	-72.3	171.9	178.5	-60.2	178.6	0	0	0	111.9	K802 Q807 R808	K802-L804 PolarHBondContact O-N 3.1Å; L804-Q807 HydrophobicContact CB-CG 4.21Å; L804-R808 PolarHBondContact O-NH1 3.4Å
805	K	93.2	Very high	94.2	Very high	117 Å²	117	45.7 Å²	45.7	51%	0.509	24%	0.244	S	C	.	.	S	Bend	trans	-68.1	-46.9	-179.6	179.7	160.1	172.6	151.7	0	112.8	E789 Q807 R808 T809	E789-K805 WeakPolarHBondContact OE1-CD 3.22Å; E789-K805 IonicContact OE1-NZ 3.38Å; E789-K805 WeakPolarHBondContact OE2-CE 3.37Å; E789-K805 IonicContact OE2-NZ 2.64Å; E789-K805 PolarHBondContact OE2-NZ 3.48Å; K805-Q807 PolarHBondContact O-N 2.74Å; K805-R808 VanDerWaalsContact CA-NH1 3.34Å; K805-R808 WeakPolarHBondContact O-CG 3.37Å; K805-R808 PolarHBondContact O-N 3.11Å; K805-R808 VanDerWaalsContact O-N 3.13Å; K805-T809 WeakPolarHBondContact CG-OG1 3.07Å; K805-T809 WeakPolarHBondContact O-CB 3.46Å; K805-T809 PolarHBondContact O-N 2.79Å; K805-T809 PolarHBondContact O-OG1 3.06Å
806	G	92	Very high	94.3	Very high	25 Å²	25	45.7 Å²	45.7	26%	0.258	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-59	-36.8	179.3	0	0	0	0	0	113	R808 T809	G806-R808 PolarHBondContact O-N 2.75Å; G806-T809 PolarHBondContact O-N 2.95Å; G806-T809 VanDerWaalsContact O-O 3.07Å
807	Q	94.7	Very high	94.5	Very high	59 Å²	59	45.5 Å²	45.5	28%	0.276	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-68.6	-12.7	179.4	-62.9	179.4	-47.6	0	0	115.1	V803 L804 K805 R872 D874	V803-Q807 HydrophobicContact CG1-CB 3.97Å; L804-Q807 HydrophobicContact CB-CG 4.21Å; K805-Q807 PolarHBondContact O-N 2.74Å; Q807-R872 VanDerWaalsContact O-CD 3.3Å; Q807-R872 WeakPolarHBondContact O-CD 3.37Å; Q807-R872 PolarHBondContact O-NE 3.04Å; Q807-D874 WeakPolarHBondContact CG-OD2 3.16Å
808	R	96.5	Very high	94.9	Very high	26 Å²	26	41.3 Å²	41.3	10%	0.098	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-124.4	3.9	177.4	75.5	-178.4	-170.5	-92.8	-11.1	113.1	L756 E789 I790 V803 L804 K805 G806	L756-R808 HydrophobicContact CD1-CB 3.63Å; E789-R808 HydrophobicContact CG-CG 4.47Å; E789-R808 IonicContact OE1-CZ 3.91Å; E789-R808 IonicContact OE1-NE 2.86Å; E789-R808 PolarHBondContact OE1-NE 3.07Å; E789-R808 IonicContact OE1-NH2 2.61Å; E789-R808 PolarHBondContact OE1-NH2 2.84Å; I790-R808 HydrophobicContact CB-CB 4.27Å; I790-R808 PolarHBondContact N-O 2.93Å; I790-R808 WeakPolarHBondContact O-CD 3.26Å; V803-R808 HydrophobicContact CG1-CB 4Å; V803-R808 PolarHBondContact O-NH1 3.45Å; L804-R808 PolarHBondContact O-NH1 3.4Å; K805-R808 VanDerWaalsContact CA-NH1 3.34Å; K805-R808 WeakPolarHBondContact O-CG 3.37Å; K805-R808 PolarHBondContact O-N 3.11Å; K805-R808 VanDerWaalsContact O-N 3.13Å; G806-R808 PolarHBondContact O-N 2.75Å
809	T	98.2	Very high	95.2	Very high	22 Å²	22	42.1 Å²	42.1	14%	0.135	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131	173.6	-48.8	0	0	0	0	107.5	L788 K805 G806 R872 V873	L788-T809 CarbonylContact O-C 3.54Å; L788-T809 WeakPolarHBondContact O-CA 3.43Å; K805-T809 WeakPolarHBondContact CG-OG1 3.07Å; K805-T809 WeakPolarHBondContact O-CB 3.46Å; K805-T809 PolarHBondContact O-N 2.79Å; K805-T809 PolarHBondContact O-OG1 3.06Å; G806-T809 PolarHBondContact O-N 2.95Å; G806-T809 VanDerWaalsContact O-O 3.07Å; T809-R872 WeakPolarHBondContact O-CA 3.28Å; T809-V873 HydrophobicContact CG2-CB 4.44Å; T809-V873 HydrophobicContact CG2-CG2 4.02Å; T809-V873 WeakPolarHBondContact O-CB 3.42Å; T809-V873 WeakPolarHBondContact O-CG2 3.35Å; T809-V873 PolarHBondContact O-N 3.42Å
810	Y	98.6	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.9	-170.9	-76	-95	0	0	0	110.9	L756 P757 L760 D787 L788 I790 R871 R872	L756-Y810 HydrophobicContact CD1-CE2 4.46Å; P757-Y810 WeakPolarHBondContact O-CE1 3.42Å; P757-Y810 PolarHBondContact O-OH 3.34Å; L760-Y810 HydrophobicContact CB-CD1 3.9Å; L760-Y810 HydrophobicContact CB-CE1 3.33Å; L760-Y810 HydrophobicContact CD2-CD1 4.48Å; L760-Y810 HydrophobicContact CD2-CD2 4.32Å; L760-Y810 HydrophobicContact CD2-CE1 4.14Å; L760-Y810 HydrophobicContact CD2-CE2 3.98Å; L760-Y810 HydrophobicContact CG-CE1 4.4Å; D787-Y810 CarbonylContact C-O 3.57Å; D787-Y810 WeakPolarHBondContact CA-O 3.4Å; L788-Y810 PolarHBondContact N-O 2.59Å; L788-Y810 PolarHBondContact O-N 3.07Å; I790-Y810 HydrophobicContact CG1-CD2 3.99Å; I790-Y810 HydrophobicContact CG1-CE2 3.86Å; Y810-R871 CarbonylContact C-O 3.5Å; Y810-R871 WeakPolarHBondContact CA-O 3.43Å; Y810-R872 HydrophobicContact CD1-CB 4.44Å; Y810-R872 HydrophobicContact CD1-CG 3.74Å; Y810-R872 HydrophobicContact CD2-CG 4.48Å; Y810-R872 HydrophobicContact CE1-CB 4.31Å; Y810-R872 HydrophobicContact CE1-CG 3.22Å; Y810-R872 HydrophobicContact CE2-CG 4.03Å; Y810-R872 HydrophobicContact CG-CG 4.34Å
811	R	98.2	Very high	94.8	Very high	99 Å²	99	45.2 Å²	45.2	37%	0.374	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130	170.6	176.9	166	-95	-152.8	-12.6	110.7	V786 D787 Y870 R871 V873 L876	V786-R811 HydrophobicContact CG1-CG 4.44Å; V786-R811 CarbonylContact O-C 3.59Å; V786-R811 WeakPolarHBondContact O-CA 3.38Å; D787-R811 IonicContact OD1-CZ 3.75Å; D787-R811 IonicContact OD1-NE 3.23Å; D787-R811 PolarHBondContact OD1-NE 2.83Å; D787-R811 IonicContact OD1-NH2 3.99Å; D787-R811 PolarHBondContact OD1-NH2 3.46Å; D787-R811 IonicContact OD2-CZ 3.93Å; D787-R811 IonicContact OD2-NE 2.77Å; D787-R811 IonicContact OD2-NH2 3.59Å; D787-R811 PolarHBondContact OD2-NH2 3Å; R811-Y870 WeakPolarHBondContact O-CA 3.42Å; R811-R871 PolarHBondContact N-O 3.43Å; R811-R871 PolarHBondContact O-N 3Å; R811-V873 HydrophobicContact CB-CG2 4.24Å; R811-L876 HydrophobicContact CB-CD1 4.05Å
812	L	98.7	Very high	94.4	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.6	175.5	-170.6	77.8	0	0	0	109.7	Y784 V786 V815 W840 L868 Y870	Y784-L812 HydrophobicContact CD2-CD2 3.89Å; Y784-L812 HydrophobicContact CE2-CD2 3.72Å; V786-L812 WeakPolarHBondContact O-CB 3.33Å; V786-L812 PolarHBondContact O-N 2.86Å; L812-V815 HydrophobicContact CD1-CG2 3.96Å; L812-V815 HydrophobicContact CD2-CG2 3.74Å; L812-V815 HydrophobicContact CG-CG2 4.14Å; L812-W840 HydrophobicContact CB-CH2 4.43Å; L812-W840 HydrophobicContact CD2-CH2 3.84Å; L812-W840 HydrophobicContact CD2-CZ2 4.27Å; L812-W840 HydrophobicContact CG-CH2 3.94Å; L812-L868 HydrophobicContact CD1-CB 4.13Å; L812-L868 HydrophobicContact CD1-CD2 4.35Å; L812-Y870 HydrophobicContact CB-CD1 4Å; L812-Y870 HydrophobicContact CB-CE1 3.67Å; L812-Y870 HydrophobicContact CD1-CD1 4.23Å; L812-Y870 HydrophobicContact CD1-CD2 4.09Å; L812-Y870 HydrophobicContact CD1-CE1 3.85Å; L812-Y870 HydrophobicContact CD1-CE2 3.72Å; L812-Y870 HydrophobicContact CD1-CG 4.33Å; L812-Y870 HydrophobicContact CG-CE1 4.37Å
813	F	98.4	Very high	93.7	Very high	19 Å²	19	36.7 Å²	36.7	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	-17.6	175.9	73.4	-89.5	0	0	0	114	A511 C512 V759 V832 F833 Y869 R871	A511-F813 HydrophobicContact CB-CD2 4.38Å; A511-F813 HydrophobicContact CB-CE2 4.5Å; C512-F813 HydrophobicContact CB-CE2 3.82Å; C512-F813 HydrophobicContact CB-CZ 3.82Å; V759-F813 HydrophobicContact CG1-CE1 3.94Å; V759-F813 HydrophobicContact CG1-CZ 3.97Å; F813-V832 CarbonylContact O-C 3.59Å; F813-V832 WeakPolarHBondContact O-CA 3.43Å; F813-F833 PolarHBondContact O-N 3.48Å; F813-Y869 WeakPolarHBondContact CD1-O 3.35Å; F813-Y869 HydrophobicContact CZ-CD1 4.4Å; F813-Y869 HydrophobicContact CZ-CG 4.48Å; F813-Y869 PolarHBondContact N-O 3.45Å; F813-R871 HydrophobicContact CD1-CB 3.78Å; F813-R871 HydrophobicContact CE1-CB 3.96Å
814	A	98.7	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.7	168.6	0	0	0	0	0	112.5	A508 T830 D831 V832 Y869	A508-A814 HydrophobicContact CB-CB 3.98Å; A814-T830 HydrophobicContact CB-CG2 4.32Å; A814-D831 CarbonylContact C-O 3.55Å; A814-D831 WeakPolarHBondContact CA-O 3.25Å; A814-V832 HydrophobicContact CB-CG1 3.98Å; A814-Y869 HydrophobicContact CB-CD2 4.19Å; A814-Y869 HydrophobicContact CB-CG 4.25Å; A814-Y869 PolarHBondContact N-O 2.81Å; A814-Y869 PolarHBondContact O-N 3.35Å
815	V	98.8	Very high	92.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.4	171.9	-179.6	0	0	0	0	109	Y784 L812 Y817 T830 D831 V856 A865 L867 L868	Y784-V815 HydrophobicContact CE2-CG2 3.91Å; L812-V815 HydrophobicContact CD1-CG2 3.96Å; L812-V815 HydrophobicContact CD2-CG2 3.74Å; L812-V815 HydrophobicContact CG-CG2 4.14Å; V815-Y817 HydrophobicContact CB-CD2 4.36Å; V815-Y817 HydrophobicContact CB-CE2 3.67Å; V815-Y817 HydrophobicContact CG1-CD1 4.22Å; V815-Y817 HydrophobicContact CG1-CD2 3.85Å; V815-Y817 HydrophobicContact CG1-CE1 3.83Å; V815-Y817 HydrophobicContact CG1-CE2 3.42Å; V815-Y817 VanDerWaalsContact CG1-CE2 3.42Å; V815-Y817 HydrophobicContact CG1-CG 4.22Å; V815-T830 CarbonylContact O-C 3.55Å; V815-T830 VanDerWaalsContact O-CA 3.27Å; V815-T830 WeakPolarHBondContact O-CA 3.5Å; V815-D831 PolarHBondContact N-O 3.1Å; V815-D831 PolarHBondContact O-N 3.17Å; V815-V856 HydrophobicContact CG2-CG1 4.14Å; V815-A865 HydrophobicContact CG1-CB 3.73Å; V815-L867 WeakPolarHBondContact CA-O 3.38Å; V815-L868 HydrophobicContact CB-CD2 4.41Å; V815-L868 HydrophobicContact CG1-CD2 3.85Å; V815-L868 HydrophobicContact CG2-CD2 3.83Å
816	V	98.6	Very high	92.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.5	164.1	174.8	0	0	0	0	107.8	A504 A508 A601 Y828 T830 Y866 L867 Y869	A504-V816 HydrophobicContact CB-CG1 3.95Å; A504-V816 HydrophobicContact CB-CG2 4.32Å; A508-V816 HydrophobicContact CB-CG2 4.22Å; A601-V816 HydrophobicContact CB-CG1 4.43Å; V816-Y828 HydrophobicContact CG1-CD1 3.88Å; V816-T830 HydrophobicContact CG2-CG2 4.23Å; V816-Y866 PolarHBondContact O-N 3.45Å; V816-L867 HydrophobicContact CB-CB 4.06Å; V816-L867 HydrophobicContact CB-CD1 4.46Å; V816-L867 HydrophobicContact CB-CG 4.4Å; V816-L867 HydrophobicContact CG2-CB 4.46Å; V816-L867 HydrophobicContact CG2-CD1 4.48Å; V816-L867 PolarHBondContact N-O 3.03Å; V816-L867 PolarHBondContact O-N 2.77Å; V816-L867 VanDerWaalsContact O-N 3.16Å; V816-Y869 HydrophobicContact CG2-CE2 3.89Å
817	Y	97.8	Very high	92.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.2	172.9	-59.7	-97.4	0	0	0	110.1	Y784 V815 Y828 T829 D831 V856 R863 T864 A865	Y784-Y817 PolarHBondContact OH-OH 3.22Å; V815-Y817 HydrophobicContact CB-CD2 4.36Å; V815-Y817 HydrophobicContact CB-CE2 3.67Å; V815-Y817 HydrophobicContact CG1-CD1 4.22Å; V815-Y817 HydrophobicContact CG1-CD2 3.85Å; V815-Y817 HydrophobicContact CG1-CE1 3.83Å; V815-Y817 HydrophobicContact CG1-CE2 3.42Å; V815-Y817 VanDerWaalsContact CG1-CE2 3.42Å; V815-Y817 HydrophobicContact CG1-CG 4.22Å; Y817-Y828 WeakPolarHBondContact O-CA 3.43Å; Y817-T829 PolarHBondContact N-O 3.23Å; Y817-T829 PolarHBondContact O-N 3.23Å; Y817-D831 HydrophobicContact CE2-CB 3.87Å; Y817-D831 VanDerWaalsContact CE2-CG 3.46Å; Y817-D831 WeakPolarHBondContact CE2-OD2 3.5Å; Y817-D831 PolarHBondContact OH-OD2 3.39Å; Y817-V856 WeakPolarHBondContact OH-CA 3.46Å; Y817-V856 WeakPolarHBondContact OH-CG1 3.45Å; Y817-V856 PolarHBondContact OH-O 3.37Å; Y817-R863 HydrophobicContact CD1-CG 3.69Å; Y817-R863 HydrophobicContact CG-CG 3.76Å; Y817-T864 WeakPolarHBondContact CA-O 3.29Å; Y817-A865 HydrophobicContact CD1-CB 3.99Å; Y817-A865 HydrophobicContact CE1-CB 3.87Å
818	H	95.8	Very high	92.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.2	162.7	-171.4	-135.7	0	0	0	109.9	F767 K777 S822 H827 Y828 T864 Y866	F767-H818 AromaticContact CE1-CE1 3.9Å; F767-H818 AromaticContact CE1-ND1 3.5Å; F767-H818 WeakPolarHBondContact CE1-ND1 3.4Å; F767-H818 AromaticContact CZ-CE1 3.82Å; F767-H818 AromaticContact CZ-ND1 3.35Å; F767-H818 WeakPolarHBondContact CZ-ND1 3.49Å; K777-H818 WeakPolarHBondContact CE-ND1 3.49Å; K777-H818 VanDerWaalsContact NZ-C 3.29Å; K777-H818 PolarHBondContact NZ-ND1 2.82Å; K777-H818 VanDerWaalsContact NZ-ND1 3.17Å; K777-H818 PolarHBondContact NZ-O 2.88Å; H818-S822 PolarHBondContact CE1-O 2.91Å; H818-H827 PolarHBondContact CD2-O 3.24Å; H818-H827 VanDerWaalsContact CD2-O 3.23Å; H818-Y828 HydrophobicContact CB-CD1 3.95Å; H818-Y828 HydrophobicContact CB-CE1 3.63Å; H818-Y828 AromaticContact CD2-CD1 3.84Å; H818-Y828 AromaticContact CD2-CD2 3.87Å; H818-Y828 AromaticContact CD2-CE1 3.59Å; H818-Y828 AromaticContact CD2-CE2 3.63Å; H818-Y828 AromaticContact CD2-CG 4Å; H818-Y828 AromaticContact CD2-CZ 3.5Å; H818-Y828 VanDerWaalsContact CD2-CZ 3.5Å; H818-Y828 AromaticContact CG-CE1 3.75Å; H818-Y828 AromaticContact CG-CZ 3.91Å; H818-T864 PolarHBondContact N-O 3.46Å; H818-T864 PolarHBondContact O-N 2.81Å; H818-T864 PolarHBondContact O-OG1 2.89Å; H818-T864 VanDerWaalsContact O-OG1 3.12Å; H818-Y866 HydrophobicContact CB-CG 4.49Å
819	H	93.4	Very high	92.4	Very high	44 Å²	44	29.6 Å²	29.6	20%	0.204	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	169.2	177	-61.6	-115.1	0	0	0	112	K777 H827 T829 E862 R863	K777-H819 VanDerWaalsContact NZ-C 3.28Å; K777-H819 PolarHBondContact NZ-O 3Å; H819-H827 HydrophobicContact CB-CB 4.25Å; H819-H827 PolarHBondContact CD2-O 3.03Å; H819-H827 PolarHBondContact N-O 2.88Å; H819-T829 VanDerWaalsContact NE2-CG2 3.29Å; H819-T829 WeakPolarHBondContact NE2-CG2 3.42Å; H819-T829 PolarHBondContact NE2-OG1 2.95Å; H819-E862 CarbonylContact C-O 3.55Å; H819-E862 WeakPolarHBondContact CA-O 3.17Å; H819-E862 WeakPolarHBondContact CB-O 3.28Å; H819-R863 VanDerWaalsContact CE1-CD 3.46Å; H819-R863 WeakPolarHBondContact CE1-CD 3.4Å; H819-R863 VanDerWaalsContact CE1-CG 3.44Å; H819-R863 WeakPolarHBondContact CE1-CG 3.27Å
820	G	89.2	Confident	92.4	Very high	28 Å²	28	28.5 Å²	28.5	29%	0.289	17%	0.171	S	C	.	.	S	Bend	trans	72.9	-176.4	177.3	0	0	0	0	0	114.4	K777 E862	K777-G820 WeakPolarHBondContact CD-O 3.41Å; K777-G820 WeakPolarHBondContact CE-O 3.39Å; K777-G820 PolarHBondContact NZ-O 3.33Å; G820-E862 PolarHBondContact N-O 3.44Å
821	N	83.8	Confident	92.4	Very high	120 Å²	120	28.5 Å²	28.5	64%	0.642	17%	0.171	S	C	*	.	S	Bend	trans	-114.6	-7.7	-166.4	-65.6	7	0	0	0	115.1
822	S	82.3	Confident	92.4	Very high	42 Å²	42	24.3 Å²	24.3	29%	0.294	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-98	163	176.7	-169.7	0	0	0	0	111.7	H818 T824 G825	H818-S822 PolarHBondContact CE1-O 2.91Å; S822-T824 PolarHBondContact OG-N 2.88Å; S822-T824 PolarHBondContact OG-OG1 3.05Å; S822-G825 WeakPolarHBondContact CB-O 3.36Å
823	A	75.3	Confident	92.4	Very high	25 Å²	25	26.8 Å²	26.8	21%	0.207	17%	0.167	C	C	.	.	S	Bend	trans	-80.1	-33.6	160.5	0	0	0	0	0	111.9	F767 C775	F767-A823 HydrophobicContact CB-CB 4.23Å; F767-A823 HydrophobicContact CD1-CB 3.45Å; F767-A823 VanDerWaalsContact CD1-CB 3.45Å; F767-A823 HydrophobicContact CE1-CB 4.04Å; F767-A823 HydrophobicContact CG-CB 4Å; C775-A823 HydrophobicContact CB-CB 4.26Å; C775-A823 WeakPolarHBondContact SG-CB 3.37Å
824	T	75.8	Confident	92.2	Very high	109 Å²	109	26.6 Å²	26.6	67%	0.669	17%	0.166	S	C	*	.	S	Bend	trans	-88.1	1	-177	57.3	0	0	0	0	114.4	S822	S822-T824 PolarHBondContact OG-N 2.88Å; S822-T824 PolarHBondContact OG-OG1 3.05Å
825	G	80.1	Confident	91.8	Very high	30 Å²	30	30 Å²	30	31%	0.309	18%	0.184	S	C	.	.	S	Bend	trans	-168.3	122.9	-174.7	0	0	0	0	0	113.8	S822	S822-G825 WeakPolarHBondContact CB-O 3.36Å
826	G	89.4	Confident	91.2	Very high	25 Å²	25	32 Å²	32	26%	0.258	21%	0.205	S	C	.	.			trans	-174.5	-139.6	178.9	0	0	0	0	0	111.2	Q598	Q598-G826 PolarHBondContact NE2-O 2.87Å; Q598-G826 PolarHBondContact OE1-O 2.71Å
827	H	94.8	Very high	90.6	Very high	48 Å²	48	33.8 Å²	33.8	22%	0.222	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	151.6	176.6	178.7	46.9	0	0	0	109.3	C500 H818 H819 D844 D845	C500-H827 VanDerWaalsContact CB-ND1 3.28Å; C500-H827 WeakPolarHBondContact CB-ND1 3.36Å; H818-H827 PolarHBondContact CD2-O 3.24Å; H818-H827 VanDerWaalsContact CD2-O 3.23Å; H819-H827 HydrophobicContact CB-CB 4.25Å; H819-H827 PolarHBondContact CD2-O 3.03Å; H819-H827 PolarHBondContact N-O 2.88Å; H827-D844 IonicContact CD2-OD1 3.63Å; H827-D844 IonicContact NE2-OD1 2.74Å; H827-D844 PolarHBondContact NE2-OD1 3.49Å; H827-D845 IonicContact CE1-OD2 3.99Å; H827-D845 PolarHBondContact CE1-OD2 3.45Å
828	Y	97.1	Very high	90.3	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.3	177.7	-68.7	-89.1	0	0	0	111.9	E599 A601 V816 Y817 H818 Y866	E599-Y828 WeakPolarHBondContact O-CE2 3.38Å; E599-Y828 PolarHBondContact O-OH 2.8Å; A601-Y828 HydrophobicContact CB-CD1 3.82Å; A601-Y828 HydrophobicContact CB-CE1 3.48Å; A601-Y828 VanDerWaalsContact CB-CE1 3.48Å; A601-Y828 HydrophobicContact CB-CE2 4.42Å; A601-Y828 HydrophobicContact CB-CG 4.41Å; A601-Y828 PolarHBondContact N-OH 2.79Å; V816-Y828 HydrophobicContact CG1-CD1 3.88Å; Y817-Y828 WeakPolarHBondContact O-CA 3.43Å; H818-Y828 HydrophobicContact CB-CD1 3.95Å; H818-Y828 HydrophobicContact CB-CE1 3.63Å; H818-Y828 AromaticContact CD2-CD1 3.84Å; H818-Y828 AromaticContact CD2-CD2 3.87Å; H818-Y828 AromaticContact CD2-CE1 3.59Å; H818-Y828 AromaticContact CD2-CE2 3.63Å; H818-Y828 AromaticContact CD2-CG 4Å; H818-Y828 AromaticContact CD2-CZ 3.5Å; H818-Y828 VanDerWaalsContact CD2-CZ 3.5Å; H818-Y828 AromaticContact CG-CE1 3.75Å; H818-Y828 AromaticContact CG-CZ 3.91Å; Y828-Y866 AromaticContact CE1-CD1 3.86Å; Y828-Y866 HydrophobicContact CE1-CD1 3.86Å; Y828-Y866 HydrophobicContact CE1-CE1 4.29Å
829	T	97.9	Very high	90.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	151.1	176	65.3	0	0	0	0	110.2	Y817 H819 I843 D844	Y817-T829 PolarHBondContact N-O 3.23Å; Y817-T829 PolarHBondContact O-N 3.23Å; H819-T829 VanDerWaalsContact NE2-CG2 3.29Å; H819-T829 WeakPolarHBondContact NE2-CG2 3.42Å; H819-T829 PolarHBondContact NE2-OG1 2.95Å; T829-I843 WeakPolarHBondContact CA-O 3.49Å; T829-I843 WeakPolarHBondContact CB-O 3.1Å; T829-D844 HydrophobicContact CG2-CB 4.08Å; T829-D844 WeakPolarHBondContact CG2-OD1 3.21Å
830	T	98.6	Very high	90.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130	-179.1	-53.4	0	0	0	0	111.7	A504 A508 A814 V815 V816 V832 I843	A504-T830 WeakPolarHBondContact CA-OG1 3.37Å; A504-T830 VanDerWaalsContact CB-OG1 3.27Å; A504-T830 WeakPolarHBondContact CB-OG1 3.39Å; A504-T830 PolarHBondContact O-OG1 2.72Å; A508-T830 HydrophobicContact CB-CG2 4.05Å; A814-T830 HydrophobicContact CB-CG2 4.32Å; V815-T830 CarbonylContact O-C 3.55Å; V815-T830 VanDerWaalsContact O-CA 3.27Å; V815-T830 WeakPolarHBondContact O-CA 3.5Å; V816-T830 HydrophobicContact CG2-CG2 4.23Å; T830-V832 HydrophobicContact CG2-CG1 3.65Å; T830-I843 PolarHBondContact N-O 3.43Å; T830-I843 PolarHBondContact O-N 2.93Å
831	D	98.6	Very high	90.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.8	163.1	-67.1	-12	0	0	0	109.1	A814 V815 Y817 W840 L841 R842 I851 V856	A814-D831 CarbonylContact C-O 3.55Å; A814-D831 WeakPolarHBondContact CA-O 3.25Å; V815-D831 PolarHBondContact N-O 3.1Å; V815-D831 PolarHBondContact O-N 3.17Å; Y817-D831 HydrophobicContact CE2-CB 3.87Å; Y817-D831 VanDerWaalsContact CE2-CG 3.46Å; Y817-D831 WeakPolarHBondContact CE2-OD2 3.5Å; Y817-D831 PolarHBondContact OH-OD2 3.39Å; D831-W840 HydrophobicContact CB-CE3 4.19Å; D831-L841 CarbonylContact C-O 3.16Å; D831-L841 VanDerWaalsContact CA-O 3.28Å; D831-L841 WeakPolarHBondContact CA-O 3.5Å; D831-R842 WeakPolarHBondContact OD1-CA 3.35Å; D831-R842 VanDerWaalsContact OD1-CB 3.26Å; D831-R842 WeakPolarHBondContact OD1-CB 3.34Å; D831-R842 VanDerWaalsContact OD1-CG 3.26Å; D831-R842 WeakPolarHBondContact OD1-CG 3.49Å; D831-R842 IonicContact OD1-CZ 2.93Å; D831-R842 IonicContact OD1-NE 3.57Å; D831-R842 PolarHBondContact OD1-NE 3.06Å; D831-R842 IonicContact OD1-NH2 2.79Å; D831-R842 PolarHBondContact OD1-NH2 3.28Å; D831-R842 IonicContact OD2-CZ 3.87Å; D831-R842 IonicContact OD2-NE 3.78Å; D831-R842 IonicContact OD2-NH2 3.67Å; D831-R842 PolarHBondContact OD2-NH2 3.34Å; D831-I851 HydrophobicContact CB-CD1 4.01Å; D831-I851 WeakPolarHBondContact OD1-CD1 3.35Å; D831-I851 WeakPolarHBondContact OD2-CD1 3.36Å; D831-V856 HydrophobicContact CB-CG1 4.37Å; D831-V856 HydrophobicContact CB-CG2 4.23Å
832	V	98.3	Very high	91.5	Very high	10 Å²	10	33.9 Å²	33.9	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.3	178.5	-58.4	0	0	0	0	111.6	A511 F813 A814 T830 W840 L841 I843	A511-V832 HydrophobicContact CB-CB 4.02Å; A511-V832 HydrophobicContact CB-CG1 3.8Å; F813-V832 CarbonylContact O-C 3.59Å; F813-V832 WeakPolarHBondContact O-CA 3.43Å; A814-V832 HydrophobicContact CB-CG1 3.98Å; T830-V832 HydrophobicContact CG2-CG1 3.65Å; V832-W840 CarbonylContact O-C 3.39Å; V832-W840 WeakPolarHBondContact O-CA 3.11Å; V832-L841 HydrophobicContact CG2-CB 4Å; V832-L841 PolarHBondContact N-O 2.91Å; V832-L841 PolarHBondContact O-N 2.95Å; V832-I843 HydrophobicContact CG2-CD1 3.95Å; V832-I843 HydrophobicContact CG2-CG1 4.5Å
833	F	97.3	Very high	92.2	Very high	54 Å²	54	32.3 Å²	32.3	24%	0.237	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.5	173.5	-176.7	-99.7	0	0	0	110.3	F813 I835 W840	F813-F833 PolarHBondContact O-N 3.48Å; F833-I835 HydrophobicContact CE1-CD1 4.24Å; F833-W840 HydrophobicContact CB-CD2 4.06Å; F833-W840 HydrophobicContact CB-CE3 4.09Å; F833-W840 HydrophobicContact CB-CH2 3.95Å; F833-W840 HydrophobicContact CB-CZ2 3.94Å; F833-W840 HydrophobicContact CB-CZ3 4.04Å; F833-W840 AromaticContact CD2-CD1 3.93Å; F833-W840 HydrophobicContact CD2-CD2 4.19Å; F833-W840 AromaticContact CD2-CE2 3.81Å; F833-W840 HydrophobicContact CD2-CG 4.26Å; F833-W840 HydrophobicContact CD2-CZ2 4.3Å; F833-W840 AromaticContact CD2-NE1 3.63Å; F833-W840 HydrophobicContact CG-CZ2 4.5Å
834	H	94.4	Very high	93.3	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.069	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.7	-176.3	-179.9	-85.3	0	0	0	112	S487 L488 G836 L837 N838 G839 L841	S487-H834 PolarHBondContact OG-CE1 3.12Å; L488-H834 PolarHBondContact O-NE2 2.99Å; H834-G836 PolarHBondContact CE1-N 3.39Å; H834-G836 PolarHBondContact ND1-N 3.29Å; H834-G836 PolarHBondContact O-N 2.9Å; H834-L837 HydrophobicContact CB-CD1 4.22Å; H834-L837 VanDerWaalsContact ND1-CD1 3.31Å; H834-L837 WeakPolarHBondContact ND1-CD1 3.22Å; H834-L837 VanDerWaalsContact ND1-CG 3.3Å; H834-L837 WeakPolarHBondContact ND1-CG 3.26Å; H834-L837 PolarHBondContact ND1-N 2.85Å; H834-L837 PolarHBondContact O-N 3.05Å; H834-L837 VanDerWaalsContact O-N 3.08Å; H834-N838 PolarHBondContact O-N 2.99Å; H834-N838 VanDerWaalsContact O-N 3.1Å; H834-G839 PolarHBondContact N-O 2.99Å; H834-L841 HydrophobicContact CB-CD1 3.67Å; H834-L841 HydrophobicContact CB-CG 3.92Å
835	I	90.6	Very high	94.3	Very high	71 Å²	71	29.2 Å²	29.2	36%	0.364	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-58.6	-42.3	-171.9	-168.3	63.8	0	0	0	113.8	P485 V486 F833 L837 N838	P485-I835 HydrophobicContact CB-CB 4.14Å; P485-I835 HydrophobicContact CB-CG1 4.09Å; P485-I835 HydrophobicContact CB-CG2 4.16Å; P485-I835 HydrophobicContact CG-CD1 4.29Å; P485-I835 HydrophobicContact CG-CG1 3.98Å; V486-I835 WeakPolarHBondContact O-CG2 3.5Å; F833-I835 HydrophobicContact CE1-CD1 4.24Å; I835-L837 PolarHBondContact O-N 3.3Å; I835-N838 PolarHBondContact O-N 3.27Å; I835-N838 VanDerWaalsContact O-N 3.09Å
836	G	86.8	Confident	95.1	Very high	43 Å²	43	33.4 Å²	33.4	44%	0.443	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-71.8	-0.1	-179.4	0	0	0	0	0	115.2	S487 H834	S487-G836 WeakPolarHBondContact OG-CA 3.25Å; H834-G836 PolarHBondContact CE1-N 3.39Å; H834-G836 PolarHBondContact ND1-N 3.29Å; H834-G836 PolarHBondContact O-N 2.9Å
837	L	86.4	Confident	95.5	Very high	37 Å²	37	33.8 Å²	33.8	19%	0.194	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-121	-8.4	173.6	-66.2	163.4	0	0	0	112	V566 I570 H834 I835 G839 L841	V566-L837 HydrophobicContact CG1-CD2 4.22Å; I570-L837 HydrophobicContact CD1-CD1 3.27Å; I570-L837 HydrophobicContact CD1-CD2 4.27Å; I570-L837 HydrophobicContact CD1-CG 4.41Å; I570-L837 HydrophobicContact CG1-CD1 3.81Å; I570-L837 HydrophobicContact CG1-CD2 3.96Å; H834-L837 HydrophobicContact CB-CD1 4.22Å; H834-L837 VanDerWaalsContact ND1-CD1 3.31Å; H834-L837 WeakPolarHBondContact ND1-CD1 3.22Å; H834-L837 VanDerWaalsContact ND1-CG 3.3Å; H834-L837 WeakPolarHBondContact ND1-CG 3.26Å; H834-L837 PolarHBondContact ND1-N 2.85Å; H834-L837 PolarHBondContact O-N 3.05Å; H834-L837 VanDerWaalsContact O-N 3.08Å; I835-L837 PolarHBondContact O-N 3.3Å; L837-G839 PolarHBondContact O-N 2.92Å; L837-L841 HydrophobicContact CD1-CD1 4.34Å; L837-L841 HydrophobicContact CD1-CD2 3.92Å; L837-L841 HydrophobicContact CD1-CG 4.48Å
838	N	90.5	Very high	95.6	Very high	127 Å²	127	32.7 Å²	32.7	68%	0.679	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	39.4	-170.3	-165.7	50.8	0	0	0	113	H834 I835	H834-N838 PolarHBondContact O-N 2.99Å; H834-N838 VanDerWaalsContact O-N 3.1Å; I835-N838 PolarHBondContact O-N 3.27Å; I835-N838 VanDerWaalsContact O-N 3.09Å
839	G	93.9	Very high	95.5	Very high	21 Å²	21	37.5 Å²	37.5	22%	0.216	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	174.2	-169.1	0	0	0	0	0	113.3	H834 L837	H834-G839 PolarHBondContact N-O 2.99Å; L837-G839 PolarHBondContact O-N 2.92Å
840	W	97.6	Very high	95.4	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.019	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.5	-172	-70.6	88	0	0	0	112.5	L812 D831 V832 F833 I851 V856	L812-W840 HydrophobicContact CB-CH2 4.43Å; L812-W840 HydrophobicContact CD2-CH2 3.84Å; L812-W840 HydrophobicContact CD2-CZ2 4.27Å; L812-W840 HydrophobicContact CG-CH2 3.94Å; D831-W840 HydrophobicContact CB-CE3 4.19Å; V832-W840 CarbonylContact O-C 3.39Å; V832-W840 WeakPolarHBondContact O-CA 3.11Å; F833-W840 HydrophobicContact CB-CD2 4.06Å; F833-W840 HydrophobicContact CB-CE3 4.09Å; F833-W840 HydrophobicContact CB-CH2 3.95Å; F833-W840 HydrophobicContact CB-CZ2 3.94Å; F833-W840 HydrophobicContact CB-CZ3 4.04Å; F833-W840 AromaticContact CD2-CD1 3.93Å; F833-W840 HydrophobicContact CD2-CD2 4.19Å; F833-W840 AromaticContact CD2-CE2 3.81Å; F833-W840 HydrophobicContact CD2-CG 4.26Å; F833-W840 HydrophobicContact CD2-CZ2 4.3Å; F833-W840 AromaticContact CD2-NE1 3.63Å; F833-W840 HydrophobicContact CG-CZ2 4.5Å; W840-I851 HydrophobicContact CB-CD1 4.16Å; W840-I851 HydrophobicContact CB-CG1 3.74Å; W840-I851 PolarHBondContact O-N 2.67Å; W840-I851 VanDerWaalsContact O-O 3.13Å; W840-V856 HydrophobicContact CB-CG2 3.91Å; W840-V856 HydrophobicContact CD2-CG2 3.65Å; W840-V856 HydrophobicContact CE3-CG1 4.34Å; W840-V856 HydrophobicContact CE3-CG2 3.85Å; W840-V856 HydrophobicContact CG-CG2 3.68Å; W840-V856 HydrophobicContact CZ3-CG1 4.32Å
841	L	97.3	Very high	95.2	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.5	176	-56.8	-178.8	0	0	0	109.6	P490 I570 D831 V832 H834 L837 V848 K849 V850	P490-L841 HydrophobicContact CB-CD1 3.93Å; P490-L841 HydrophobicContact CG-CD1 3.47Å; P490-L841 VanDerWaalsContact CG-CD1 3.47Å; I570-L841 HydrophobicContact CD1-CD2 3.44Å; I570-L841 VanDerWaalsContact CD1-CD2 3.44Å; D831-L841 CarbonylContact C-O 3.16Å; D831-L841 VanDerWaalsContact CA-O 3.28Å; D831-L841 WeakPolarHBondContact CA-O 3.5Å; V832-L841 HydrophobicContact CG2-CB 4Å; V832-L841 PolarHBondContact N-O 2.91Å; V832-L841 PolarHBondContact O-N 2.95Å; H834-L841 HydrophobicContact CB-CD1 3.67Å; H834-L841 HydrophobicContact CB-CG 3.92Å; L837-L841 HydrophobicContact CD1-CD1 4.34Å; L837-L841 HydrophobicContact CD1-CD2 3.92Å; L837-L841 HydrophobicContact CD1-CG 4.48Å; L841-V848 HydrophobicContact CB-CG1 4.35Å; L841-V848 HydrophobicContact CD1-CG1 4.3Å; L841-K849 CarbonylContact C-O 3.56Å; L841-K849 WeakPolarHBondContact CA-O 3.41Å; L841-V850 HydrophobicContact CD2-CG2 4.18Å
842	R	98	Very high	95	Very high	40 Å²	40	46 Å²	46	15%	0.151	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.7	164.9	-175.5	156.5	-65.9	153.1	7	109.3	D831 V848 K849 I851 Q855	D831-R842 WeakPolarHBondContact OD1-CA 3.35Å; D831-R842 VanDerWaalsContact OD1-CB 3.26Å; D831-R842 WeakPolarHBondContact OD1-CB 3.34Å; D831-R842 VanDerWaalsContact OD1-CG 3.26Å; D831-R842 WeakPolarHBondContact OD1-CG 3.49Å; D831-R842 IonicContact OD1-CZ 2.93Å; D831-R842 IonicContact OD1-NE 3.57Å; D831-R842 PolarHBondContact OD1-NE 3.06Å; D831-R842 IonicContact OD1-NH2 2.79Å; D831-R842 PolarHBondContact OD1-NH2 3.28Å; D831-R842 IonicContact OD2-CZ 3.87Å; D831-R842 IonicContact OD2-NE 3.78Å; D831-R842 IonicContact OD2-NH2 3.67Å; D831-R842 PolarHBondContact OD2-NH2 3.34Å; R842-V848 WeakPolarHBondContact O-CA 3.48Å; R842-K849 PolarHBondContact N-O 3.2Å; R842-K849 PolarHBondContact O-N 3Å; R842-I851 HydrophobicContact CB-CD1 4.12Å; R842-I851 HydrophobicContact CB-CG1 4.38Å; R842-I851 HydrophobicContact CB-CG2 3.98Å; R842-Q855 PolarHBondContact NH2-O 3.06Å
843	I	98.4	Very high	94.9	Very high	9 Å²	9	50 Å²	50	5%	0.046	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.2	175.4	-50.4	-177.3	0	0	0	108.1	Q507 T829 T830 V832 A847 V848	Q507-I843 HydrophobicContact CB-CD1 4.28Å; Q507-I843 HydrophobicContact CG-CB 4.47Å; Q507-I843 HydrophobicContact CG-CD1 4.18Å; Q507-I843 HydrophobicContact CG-CG2 3.93Å; Q507-I843 VanDerWaalsContact OE1-CD1 3.31Å; T829-I843 WeakPolarHBondContact CA-O 3.49Å; T829-I843 WeakPolarHBondContact CB-O 3.1Å; T830-I843 PolarHBondContact N-O 3.43Å; T830-I843 PolarHBondContact O-N 2.93Å; V832-I843 HydrophobicContact CG2-CD1 3.95Å; V832-I843 HydrophobicContact CG2-CG1 4.5Å; I843-A847 WeakPolarHBondContact CA-O 3.29Å; I843-V848 HydrophobicContact CG1-CG1 4.42Å; I843-V848 HydrophobicContact CG1-CG2 4.33Å; I843-V848 HydrophobicContact CG2-CG2 4.34Å
844	D	97.7	Very high	94.8	Very high	46 Å²	46	55 Å²	55	25%	0.246	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	80.7	-166.4	176.5	22.1	0	0	0	106.2	H827 T829 Q846 A847 K849	H827-D844 IonicContact CD2-OD1 3.63Å; H827-D844 IonicContact NE2-OD1 2.74Å; H827-D844 PolarHBondContact NE2-OD1 3.49Å; T829-D844 HydrophobicContact CG2-CB 4.08Å; T829-D844 WeakPolarHBondContact CG2-OD1 3.21Å; D844-Q846 PolarHBondContact O-N 2.73Å; D844-A847 HydrophobicContact CB-CB 4.36Å; D844-A847 PolarHBondContact N-O 2.99Å; D844-A847 WeakPolarHBondContact O-CB 3.33Å; D844-A847 PolarHBondContact O-N 2.74Å; D844-K849 IonicContact OD2-NZ 3Å; D844-K849 PolarHBondContact OD2-NZ 3.32Å
845	D	97.3	Very high	94.9	Very high	23 Å²	23	58 Å²	58	12%	0.123	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	-106.6	-160	-75.5	-41.6	0	0	0	112.2	G492 L493 N495 N503 H827 A847	G492-D845 CarbonylContact C-O 2.92Å; G492-D845 VanDerWaalsContact CA-O 3.24Å; G492-D845 WeakPolarHBondContact CA-O 3.11Å; L493-D845 PolarHBondContact N-O 2.96Å; L493-D845 CarbonylContact O-C 3.53Å; L493-D845 WeakPolarHBondContact O-CA 3.24Å; L493-D845 WeakPolarHBondContact O-CB 3.29Å; N495-D845 HydrophobicContact CB-CB 4.04Å; N495-D845 WeakPolarHBondContact CB-OD2 3.35Å; N495-D845 PolarHBondContact ND2-OD2 3.44Å; N503-D845 WeakPolarHBondContact CB-OD1 3.33Å; N503-D845 PolarHBondContact ND2-OD1 3.26Å; H827-D845 IonicContact CE1-OD2 3.99Å; H827-D845 PolarHBondContact CE1-OD2 3.45Å; D845-A847 VanDerWaalsContact C-N 3.34Å
846	Q	96.5	Very high	95.2	Very high	118 Å²	118	54.6 Å²	54.6	55%	0.551	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.5	-177.2	65.3	-179.9	7.7	0	0	113.7	L493 I494 P575 D844	L493-Q846 PolarHBondContact O-N 3.48Å; I494-Q846 HydrophobicContact CG1-CB 4.37Å; P575-Q846 HydrophobicContact CB-CB 3.88Å; P575-Q846 HydrophobicContact CG-CB 4.21Å; D844-Q846 PolarHBondContact O-N 2.73Å
847	A	96.9	Very high	95.6	Very high	33 Å²	33	55.2 Å²	55.2	27%	0.273	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.8	-175.7	0	0	0	0	0	111.7	I843 D844 D845	I843-A847 WeakPolarHBondContact CA-O 3.29Å; D844-A847 HydrophobicContact CB-CB 4.36Å; D844-A847 PolarHBondContact N-O 2.99Å; D844-A847 WeakPolarHBondContact O-CB 3.33Å; D844-A847 PolarHBondContact O-N 2.74Å; D845-A847 VanDerWaalsContact C-N 3.34Å
848	V	96.8	Very high	95.8	Very high	26 Å²	26	58.4 Å²	58.4	16%	0.158	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.8	173	-176.9	0	0	0	0	109	P490 P572 L841 R842 I843	P490-V848 HydrophobicContact CB-CG1 3.9Å; P490-V848 HydrophobicContact CB-CG2 4.48Å; P572-V848 HydrophobicContact CB-CB 4.3Å; P572-V848 HydrophobicContact CB-CG2 4.4Å; P572-V848 HydrophobicContact CG-CB 3.95Å; P572-V848 HydrophobicContact CG-CG1 4.41Å; L841-V848 HydrophobicContact CB-CG1 4.35Å; L841-V848 HydrophobicContact CD1-CG1 4.3Å; R842-V848 WeakPolarHBondContact O-CA 3.48Å; I843-V848 HydrophobicContact CG1-CG1 4.42Å; I843-V848 HydrophobicContact CG1-CG2 4.33Å; I843-V848 HydrophobicContact CG2-CG2 4.34Å
849	K	95.4	Very high	95.2	Very high	104 Å²	104	53 Å²	53	45%	0.452	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138	-175	-63.7	162	-173.1	156	0	110.1	L841 R842 D844	L841-K849 CarbonylContact C-O 3.56Å; L841-K849 WeakPolarHBondContact CA-O 3.41Å; R842-K849 PolarHBondContact N-O 3.2Å; R842-K849 PolarHBondContact O-N 3Å; D844-K849 IonicContact OD2-NZ 3Å; D844-K849 PolarHBondContact OD2-NZ 3.32Å
850	V	95.4	Very high	94.8	Very high	63 Å²	63	54.1 Å²	54.1	38%	0.382	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.7	169.9	-173.9	0	0	0	0	109.8	V567 I570 L841	V567-V850 HydrophobicContact CG1-CG1 3.98Å; I570-V850 HydrophobicContact CD1-CG2 3.23Å; I570-V850 HydrophobicContact CG1-CG2 4.05Å; L841-V850 HydrophobicContact CD2-CG2 4.18Å
851	I	95.4	Very high	94	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.7	173.1	56.6	162.6	0	0	0	110.8	D831 W840 R842 Q855 V856	D831-I851 HydrophobicContact CB-CD1 4.01Å; D831-I851 WeakPolarHBondContact OD1-CD1 3.35Å; D831-I851 WeakPolarHBondContact OD2-CD1 3.36Å; W840-I851 HydrophobicContact CB-CD1 4.16Å; W840-I851 HydrophobicContact CB-CG1 3.74Å; W840-I851 PolarHBondContact O-N 2.67Å; W840-I851 VanDerWaalsContact O-O 3.13Å; R842-I851 HydrophobicContact CB-CD1 4.12Å; R842-I851 HydrophobicContact CB-CG1 4.38Å; R842-I851 HydrophobicContact CB-CG2 3.98Å; I851-Q855 HydrophobicContact CB-CB 4.22Å; I851-V856 HydrophobicContact CD1-CG2 3.56Å; I851-V856 HydrophobicContact CG1-CG2 4.44Å
852	N	95	Very high	93.5	Very high	108 Å²	108	63.5 Å²	63.5	58%	0.578	32%	0.318	S	S	*	.			trans	-80	151.9	172.4	-67.8	-30.6	0	0	0	110.3	Y854 Q855	N852-Y854 PolarHBondContact O-N 3.36Å; N852-Y854 VanDerWaalsContact O-N 3.1Å; N852-Q855 WeakPolarHBondContact O-CA 3.4Å; N852-Q855 WeakPolarHBondContact O-CB 3.49Å; N852-Q855 PolarHBondContact O-N 3.09Å
853	Q	96.2	Very high	93.2	Very high	92 Å²	92	62.6 Å²	62.6	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-52.8	-34.7	176.3	-176.6	173.5	-63	0	0	113.2	V786 Q855 V856 L857	V786-Q853 HydrophobicContact CG2-CG 4.02Å; Q853-Q855 VanDerWaalsContact C-N 3.26Å; Q853-Q855 PolarHBondContact O-N 3.22Å; Q853-V856 WeakPolarHBondContact O-CB 3.44Å; Q853-V856 PolarHBondContact O-N 3.02Å; Q853-V856 VanDerWaalsContact O-N 3.13Å; Q853-L857 HydrophobicContact CG-CD1 4.23Å; Q853-L857 HydrophobicContact CG-CG 4.5Å; Q853-L857 PolarHBondContact O-N 3.42Å; Q853-L857 VanDerWaalsContact O-N 3.14Å
854	Y	95.4	Very high	93.1	Very high	159 Å²	159	62.1 Å²	62.1	62%	0.624	31%	0.313	S	S	*	.	H	α-helix	trans	-57.7	-34.4	172.3	174	-105.9	0	0	0	113.3	N852 V856 K858	N852-Y854 PolarHBondContact O-N 3.36Å; N852-Y854 VanDerWaalsContact O-N 3.1Å; Y854-V856 VanDerWaalsContact C-N 3.32Å; Y854-K858 HydrophobicContact CE1-CD 4.01Å; Y854-K858 WeakPolarHBondContact O-CB 3.31Å; Y854-K858 PolarHBondContact O-N 3.06Å
855	Q	95.2	Very high	93	Very high	79 Å²	79	60 Å²	60	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-79.9	-12.5	179	-62.5	173.2	-77	0	0	113.6	R842 I851 N852 Q853 R863	R842-Q855 PolarHBondContact NH2-O 3.06Å; I851-Q855 HydrophobicContact CB-CB 4.22Å; N852-Q855 WeakPolarHBondContact O-CA 3.4Å; N852-Q855 WeakPolarHBondContact O-CB 3.49Å; N852-Q855 PolarHBondContact O-N 3.09Å; Q853-Q855 VanDerWaalsContact C-N 3.26Å; Q853-Q855 PolarHBondContact O-N 3.22Å; Q855-R863 PolarHBondContact O-NH2 3.05Å
856	V	96.9	Very high	93.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-77.8	-61	167.4	-176.7	0	0	0	0	107.8	Y784 V815 Y817 D831 W840 I851 Q853 Y854 K858 R863	Y784-V856 PolarHBondContact OH-O 3.2Å; V815-V856 HydrophobicContact CG2-CG1 4.14Å; Y817-V856 WeakPolarHBondContact OH-CA 3.46Å; Y817-V856 WeakPolarHBondContact OH-CG1 3.45Å; Y817-V856 PolarHBondContact OH-O 3.37Å; D831-V856 HydrophobicContact CB-CG1 4.37Å; D831-V856 HydrophobicContact CB-CG2 4.23Å; W840-V856 HydrophobicContact CB-CG2 3.91Å; W840-V856 HydrophobicContact CD2-CG2 3.65Å; W840-V856 HydrophobicContact CE3-CG1 4.34Å; W840-V856 HydrophobicContact CE3-CG2 3.85Å; W840-V856 HydrophobicContact CG-CG2 3.68Å; W840-V856 HydrophobicContact CZ3-CG1 4.32Å; I851-V856 HydrophobicContact CD1-CG2 3.56Å; I851-V856 HydrophobicContact CG1-CG2 4.44Å; Q853-V856 WeakPolarHBondContact O-CB 3.44Å; Q853-V856 PolarHBondContact O-N 3.02Å; Q853-V856 VanDerWaalsContact O-N 3.13Å; Y854-V856 VanDerWaalsContact C-N 3.32Å; V856-K858 VanDerWaalsContact C-N 3.3Å; V856-K858 PolarHBondContact O-N 3.27Å; V856-R863 PolarHBondContact O-NH2 3.42Å
857	L	95.6	Very high	93.2	Very high	55 Å²	55	53.2 Å²	53.2	29%	0.288	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-30.2	-176.5	-58.2	179.1	0	0	0	113.3	Y784 V786 Q853 Q859	Y784-L857 HydrophobicContact CD2-CD2 4.13Å; Y784-L857 HydrophobicContact CE2-CD2 3.81Å; Y784-L857 WeakPolarHBondContact O-CD2 3.3Å; V786-L857 HydrophobicContact CG2-CD1 4.05Å; V786-L857 HydrophobicContact CG2-CD2 3.94Å; V786-L857 HydrophobicContact CG2-CG 4.35Å; Q853-L857 HydrophobicContact CG-CD1 4.23Å; Q853-L857 HydrophobicContact CG-CG 4.5Å; Q853-L857 PolarHBondContact O-N 3.42Å; Q853-L857 VanDerWaalsContact O-N 3.14Å; L857-Q859 PolarHBondContact O-N 2.89Å
858	K	89.6	Confident	93.3	Very high	105 Å²	105	51.7 Å²	51.7	46%	0.457	26%	0.256	S	S	.	.			trans	-67.8	100.6	172.9	-175.4	180	-176.9	173.4	0	110.5	Y854 V856 R863	Y854-K858 HydrophobicContact CE1-CD 4.01Å; Y854-K858 WeakPolarHBondContact O-CB 3.31Å; Y854-K858 PolarHBondContact O-N 3.06Å; V856-K858 VanDerWaalsContact C-N 3.3Å; V856-K858 PolarHBondContact O-N 3.27Å; K858-R863 PolarHBondContact O-NH2 3.22Å
859	Q	79.7	Confident	93.3	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.061	25%	0.248	C	C	.	.			trans	-70.8	150	166.7	-59.1	-176.3	83.1	0	0	111	N781 I782 D783 Y784 L857	N781-Q859 HydrophobicContact CB-CB 4.46Å; I782-Q859 VanDerWaalsContact N-NE2 3.18Å; I782-Q859 VanDerWaalsContact O-CD 3.32Å; I782-Q859 PolarHBondContact O-NE2 3.17Å; I782-Q859 PolarHBondContact O-OE1 2.87Å; D783-Q859 PolarHBondContact OD1-NE2 2.99Å; Y784-Q859 HydrophobicContact CE1-CG 4.39Å; L857-Q859 PolarHBondContact O-N 2.89Å
860	T	85.2	Confident	93.5	Very high	45 Å²	45	45.5 Å²	45.5	28%	0.276	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-136.8	151.9	166.8	56	0	0	0	0	108.2	E862 R863	T860-E862 PolarHBondContact O-N 2.87Å; T860-R863 CarbonylContact O-C 3.49Å; T860-R863 PolarHBondContact O-N 2.99Å; T860-R863 VanDerWaalsContact O-O 3.09Å; T860-R863 PolarHBondContact OG1-N 3.04Å
861	A	81.2	Confident	93.6	Very high	59 Å²	59	43 Å²	43	49%	0.488	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.6	178.3	0	0	0	0	0	112.2
862	E	85.7	Confident	93.7	Very high	145 Å²	145	44.1 Å²	44.1	68%	0.678	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.1	175.9	-61.2	171.1	165.4	0	0	114.3	H819 G820 T860	H819-E862 CarbonylContact C-O 3.55Å; H819-E862 WeakPolarHBondContact CA-O 3.17Å; H819-E862 WeakPolarHBondContact CB-O 3.28Å; G820-E862 PolarHBondContact N-O 3.44Å; T860-E862 PolarHBondContact O-N 2.87Å
863	R	92.1	Very high	93.7	Very high	21 Å²	21	41.7 Å²	41.7	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	90.7	-176.9	-172.3	-171.5	97.1	-91.1	-3.2	110.7	Y817 H819 Q855 V856 K858 T860	Y817-R863 HydrophobicContact CD1-CG 3.69Å; Y817-R863 HydrophobicContact CG-CG 3.76Å; H819-R863 VanDerWaalsContact CE1-CD 3.46Å; H819-R863 WeakPolarHBondContact CE1-CD 3.4Å; H819-R863 VanDerWaalsContact CE1-CG 3.44Å; H819-R863 WeakPolarHBondContact CE1-CG 3.27Å; Q855-R863 PolarHBondContact O-NH2 3.05Å; V856-R863 PolarHBondContact O-NH2 3.42Å; K858-R863 PolarHBondContact O-NH2 3.22Å; T860-R863 CarbonylContact O-C 3.49Å; T860-R863 PolarHBondContact O-N 2.99Å; T860-R863 VanDerWaalsContact O-O 3.09Å; T860-R863 PolarHBondContact OG1-N 3.04Å
864	T	95	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.2	-179.6	55.8	0	0	0	0	111.7	K777 Y817 H818	K777-T864 VanDerWaalsContact CE-OG1 3.26Å; K777-T864 WeakPolarHBondContact CE-OG1 3.44Å; Y817-T864 WeakPolarHBondContact CA-O 3.29Å; H818-T864 PolarHBondContact N-O 3.46Å; H818-T864 PolarHBondContact O-N 2.81Å; H818-T864 PolarHBondContact O-OG1 2.89Å; H818-T864 VanDerWaalsContact O-OG1 3.12Å
865	A	97.4	Very high	93.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	135.8	173.6	0	0	0	0	0	110.1	R766 Y784 V815 Y817 L868	R766-A865 PolarHBondContact NE-O 3.22Å; R766-A865 PolarHBondContact NH2-O 2.91Å; Y784-A865 HydrophobicContact CD1-CB 4.34Å; Y784-A865 HydrophobicContact CE1-CB 3.61Å; V815-A865 HydrophobicContact CG1-CB 3.73Å; Y817-A865 HydrophobicContact CD1-CB 3.99Å; Y817-A865 HydrophobicContact CE1-CB 3.87Å; A865-L868 HydrophobicContact CB-CD2 4.07Å
866	Y	97.6	Very high	92.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-53.1	-169.2	-176.4	-120.7	0	0	0	112.6	D600 A601 E602 H763 L764 R766 F767 V816 H818 Y828	D600-Y866 VanDerWaalsContact CG-OH 3.3Å; D600-Y866 WeakPolarHBondContact OD1-CE1 3.27Å; D600-Y866 PolarHBondContact OD1-OH 2.8Å; D600-Y866 PolarHBondContact OD2-OH 2.82Å; D600-Y866 VanDerWaalsContact OD2-OH 3.06Å; A601-Y866 HydrophobicContact CB-CD1 4.35Å; A601-Y866 HydrophobicContact CB-CE1 4.24Å; E602-Y866 HydrophobicContact CB-CE1 4.36Å; H763-Y866 AromaticContact CD2-CE2 3.52Å; H763-Y866 AromaticContact CD2-CZ 3.66Å; H763-Y866 PolarHBondContact CE1-OH 3.08Å; H763-Y866 AromaticContact NE2-CE2 3.38Å; H763-Y866 WeakPolarHBondContact NE2-CE2 3.26Å; H763-Y866 AromaticContact NE2-CZ 3.43Å; H763-Y866 PolarHBondContact NE2-OH 3.17Å; L764-Y866 PolarHBondContact N-O 3.39Å; L764-Y866 WeakPolarHBondContact O-CD2 3.46Å; L764-Y866 WeakPolarHBondContact O-CE2 3.03Å; R766-Y866 HydrophobicContact CB-CD2 4.32Å; R766-Y866 HydrophobicContact CB-CE2 4.44Å; R766-Y866 HydrophobicContact CG-CD2 4.45Å; F767-Y866 HydrophobicContact CD2-CE2 4.23Å; F767-Y866 HydrophobicContact CE2-CE1 4.3Å; F767-Y866 AromaticContact CE2-CE2 3.91Å; F767-Y866 HydrophobicContact CE2-CE2 3.91Å; F767-Y866 AromaticContact CE2-CZ 3.73Å; V816-Y866 PolarHBondContact O-N 3.45Å; H818-Y866 HydrophobicContact CB-CG 4.49Å; Y828-Y866 AromaticContact CE1-CD1 3.86Å; Y828-Y866 HydrophobicContact CE1-CD1 3.86Å; Y828-Y866 HydrophobicContact CE1-CE1 4.29Å
867	L	98.8	Very high	92.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.9	169.2	-51.5	175.3	0	0	0	109.7	A601 E602 L605 V761 L762 H763 V815 V816 Y869	A601-L867 HydrophobicContact CB-CD1 4.49Å; E602-L867 HydrophobicContact CB-CD2 4Å; E602-L867 HydrophobicContact CG-CD2 3.98Å; L605-L867 HydrophobicContact CD2-CD1 4.1Å; V761-L867 HydrophobicContact CG1-CB 4.47Å; L762-L867 WeakPolarHBondContact O-CA 3.25Å; H763-L867 HydrophobicContact CB-CD2 3.77Å; V815-L867 WeakPolarHBondContact CA-O 3.38Å; V816-L867 HydrophobicContact CB-CB 4.06Å; V816-L867 HydrophobicContact CB-CD1 4.46Å; V816-L867 HydrophobicContact CB-CG 4.4Å; V816-L867 HydrophobicContact CG2-CB 4.46Å; V816-L867 HydrophobicContact CG2-CD1 4.48Å; V816-L867 PolarHBondContact N-O 3.03Å; V816-L867 PolarHBondContact O-N 2.77Å; V816-L867 VanDerWaalsContact O-N 3.16Å; L867-Y869 HydrophobicContact CB-CD2 4.36Å; L867-Y869 HydrophobicContact CB-CE2 3.69Å; L867-Y869 HydrophobicContact CD1-CE2 4.35Å
868	L	98.9	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.6	177.1	-55.2	171	0	0	0	109.6	V721 V761 L762 L764 Y784 L812 V815 A865 Y870	V721-L868 HydrophobicContact CG2-CD1 3.61Å; V761-L868 WeakPolarHBondContact CA-O 3.25Å; L762-L868 HydrophobicContact CB-CB 4.26Å; L762-L868 PolarHBondContact N-O 2.87Å; L762-L868 PolarHBondContact O-N 3.03Å; L764-L868 HydrophobicContact CD1-CD1 4.28Å; L764-L868 HydrophobicContact CG-CD1 4.47Å; Y784-L868 HydrophobicContact CD1-CD1 4.34Å; Y784-L868 HydrophobicContact CD1-CD2 4.03Å; Y784-L868 HydrophobicContact CD2-CD1 4.43Å; Y784-L868 HydrophobicContact CD2-CD2 3.73Å; Y784-L868 HydrophobicContact CE1-CD2 4.19Å; Y784-L868 HydrophobicContact CE2-CD2 3.88Å; Y784-L868 HydrophobicContact CG-CD1 3.93Å; Y784-L868 HydrophobicContact CG-CD2 3.83Å; L812-L868 HydrophobicContact CD1-CB 4.13Å; L812-L868 HydrophobicContact CD1-CD2 4.35Å; V815-L868 HydrophobicContact CB-CD2 4.41Å; V815-L868 HydrophobicContact CG1-CD2 3.85Å; V815-L868 HydrophobicContact CG2-CD2 3.83Å; A865-L868 HydrophobicContact CB-CD2 4.07Å; L868-Y870 HydrophobicContact CB-CD2 4.04Å; L868-Y870 HydrophobicContact CB-CE2 3.62Å; L868-Y870 HydrophobicContact CD1-CE2 4.16Å; L868-Y870 HydrophobicContact CG-CE2 4.49Å
869	Y	98.8	Very high	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.6	-177.8	-65.7	-106.6	0	0	0	110.5	A508 L605 V761 F813 A814 V816 L867	A508-Y869 HydrophobicContact CB-CD1 4.29Å; A508-Y869 HydrophobicContact CB-CD2 3.88Å; A508-Y869 HydrophobicContact CB-CE1 3.94Å; A508-Y869 HydrophobicContact CB-CE2 3.49Å; A508-Y869 VanDerWaalsContact CB-CE2 3.49Å; A508-Y869 HydrophobicContact CB-CG 4.27Å; L605-Y869 HydrophobicContact CD2-CE1 4.43Å; V761-Y869 HydrophobicContact CG1-CD1 4.26Å; V761-Y869 HydrophobicContact CG1-CE1 4.1Å; V761-Y869 HydrophobicContact CG1-CE2 4.43Å; V761-Y869 HydrophobicContact CG2-CD1 3.68Å; V761-Y869 HydrophobicContact CG2-CE1 3.82Å; V761-Y869 HydrophobicContact CG2-CG 4.47Å; F813-Y869 WeakPolarHBondContact CD1-O 3.35Å; F813-Y869 HydrophobicContact CZ-CD1 4.4Å; F813-Y869 HydrophobicContact CZ-CG 4.48Å; F813-Y869 PolarHBondContact N-O 3.45Å; A814-Y869 HydrophobicContact CB-CD2 4.19Å; A814-Y869 HydrophobicContact CB-CG 4.25Å; A814-Y869 PolarHBondContact N-O 2.81Å; A814-Y869 PolarHBondContact O-N 3.35Å; V816-Y869 HydrophobicContact CG2-CE2 3.89Å; L867-Y869 HydrophobicContact CB-CD2 4.36Å; L867-Y869 HydrophobicContact CB-CE2 3.69Å; L867-Y869 HydrophobicContact CD1-CE2 4.35Å
870	Y	98.8	Very high	93.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.6	-172.6	-81.3	-79.9	0	0	0	110.6	V759 L760 L762 P785 L788 R811 L812 L868	V759-Y870 CarbonylContact C-O 3.43Å; V759-Y870 VanDerWaalsContact CA-O 3.3Å; V759-Y870 WeakPolarHBondContact CA-O 3.12Å; L760-Y870 PolarHBondContact N-O 2.94Å; L760-Y870 WeakPolarHBondContact O-CB 3.4Å; L760-Y870 PolarHBondContact O-N 2.91Å; L762-Y870 HydrophobicContact CD1-CD2 4.01Å; L762-Y870 HydrophobicContact CD1-CE2 3.8Å; L762-Y870 HydrophobicContact CG-CD2 4.25Å; L762-Y870 HydrophobicContact CG-CE2 4.44Å; P785-Y870 WeakPolarHBondContact O-CE1 3.28Å; P785-Y870 PolarHBondContact O-OH 2.84Å; L788-Y870 HydrophobicContact CB-CD1 4.09Å; L788-Y870 HydrophobicContact CB-CE1 3.64Å; L788-Y870 HydrophobicContact CD2-CD1 4.32Å; L788-Y870 HydrophobicContact CD2-CD2 4.28Å; L788-Y870 HydrophobicContact CD2-CE1 4.08Å; L788-Y870 HydrophobicContact CD2-CE2 4Å; L788-Y870 HydrophobicContact CD2-CG 4.43Å; R811-Y870 WeakPolarHBondContact O-CA 3.42Å; L812-Y870 HydrophobicContact CB-CD1 4Å; L812-Y870 HydrophobicContact CB-CE1 3.67Å; L812-Y870 HydrophobicContact CD1-CD1 4.23Å; L812-Y870 HydrophobicContact CD1-CD2 4.09Å; L812-Y870 HydrophobicContact CD1-CE1 3.85Å; L812-Y870 HydrophobicContact CD1-CE2 3.72Å; L812-Y870 HydrophobicContact CD1-CG 4.33Å; L812-Y870 HydrophobicContact CG-CE1 4.37Å; L868-Y870 HydrophobicContact CB-CD2 4.04Å; L868-Y870 HydrophobicContact CB-CE2 3.62Å; L868-Y870 HydrophobicContact CD1-CE2 4.16Å; L868-Y870 HydrophobicContact CG-CE2 4.49Å
871	R	97.6	Very high	93.9	Very high	11 Å²	11	34.1 Å²	34.1	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.3	175.3	174.2	172.6	162.9	-136.3	-3.6	110.3	H483 Y810 R811 F813 L875 L876	H483-R871 VanDerWaalsContact C-NH2 3.34Å; H483-R871 PolarHBondContact O-NE 3.13Å; H483-R871 PolarHBondContact O-NH1 3.13Å; H483-R871 PolarHBondContact O-NH2 2.8Å; Y810-R871 CarbonylContact C-O 3.5Å; Y810-R871 WeakPolarHBondContact CA-O 3.43Å; R811-R871 PolarHBondContact N-O 3.43Å; R811-R871 PolarHBondContact O-N 3Å; F813-R871 HydrophobicContact CD1-CB 3.78Å; F813-R871 HydrophobicContact CE1-CB 3.96Å; R871-L875 PolarHBondContact NH2-O 2.96Å; R871-L876 HydrophobicContact CG-CD2 4.22Å; R871-L876 PolarHBondContact NH2-OXT 3.49Å
872	R	97	Very high	94.8	Very high	34 Å²	34	32.4 Å²	32.4	13%	0.128	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.8	-179.6	-70.2	179.1	16.3	-163	-7.3	112.4	L756 P757 P758 Q807 T809 Y810 D874 L875	L756-R872 PolarHBondContact O-NH1 3.27Å; P757-R872 VanDerWaalsContact O-CD 3.31Å; P757-R872 WeakPolarHBondContact O-CD 3.42Å; P758-R872 PolarHBondContact O-N 3.46Å; Q807-R872 VanDerWaalsContact O-CD 3.3Å; Q807-R872 WeakPolarHBondContact O-CD 3.37Å; Q807-R872 PolarHBondContact O-NE 3.04Å; T809-R872 WeakPolarHBondContact O-CA 3.28Å; Y810-R872 HydrophobicContact CD1-CB 4.44Å; Y810-R872 HydrophobicContact CD1-CG 3.74Å; Y810-R872 HydrophobicContact CD2-CG 4.48Å; Y810-R872 HydrophobicContact CE1-CB 4.31Å; Y810-R872 HydrophobicContact CE1-CG 3.22Å; Y810-R872 HydrophobicContact CE2-CG 4.03Å; Y810-R872 HydrophobicContact CG-CG 4.34Å; R872-D874 WeakPolarHBondContact CB-OD1 3.14Å; R872-D874 IonicContact CZ-OD1 3.74Å; R872-D874 IonicContact CZ-OD2 3.39Å; R872-D874 IonicContact NE-OD1 3.6Å; R872-D874 PolarHBondContact NE-OD1 3.3Å; R872-D874 IonicContact NE-OD2 2.67Å; R872-D874 IonicContact NH2-OD1 3.33Å; R872-D874 PolarHBondContact NH2-OD1 3.3Å; R872-D874 IonicContact NH2-OD2 2.89Å; R872-D874 PolarHBondContact NH2-OD2 2.64Å; R872-L875 HydrophobicContact CB-CD1 4.32Å; R872-L875 PolarHBondContact O-N 2.79Å
873	V	95.1	Very high	95.4	Very high	57 Å²	57	24.4 Å²	24.4	35%	0.345	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-72.9	-26.5	-175.3	173	0	0	0	0	112.4	T809 R811 L875 L876	T809-V873 HydrophobicContact CG2-CB 4.44Å; T809-V873 HydrophobicContact CG2-CG2 4.02Å; T809-V873 WeakPolarHBondContact O-CB 3.42Å; T809-V873 WeakPolarHBondContact O-CG2 3.35Å; T809-V873 PolarHBondContact O-N 3.42Å; R811-V873 HydrophobicContact CB-CG2 4.24Å; V873-L875 PolarHBondContact O-N 3.02Å; V873-L876 HydrophobicContact CB-CD1 4.26Å; V873-L876 HydrophobicContact CG1-CD1 4.27Å; V873-L876 HydrophobicContact CG2-CD1 3.98Å; V873-L876 PolarHBondContact O-N 3.05Å
874	D	94.7	Very high	95.7	Very high	70 Å²	70	24.6 Å²	24.6	37%	0.374	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-68.5	-9	173.8	67.8	-45.2	0	0	0	114.3	Q807 R872	Q807-D874 WeakPolarHBondContact CG-OD2 3.16Å; R872-D874 WeakPolarHBondContact CB-OD1 3.14Å; R872-D874 IonicContact CZ-OD1 3.74Å; R872-D874 IonicContact CZ-OD2 3.39Å; R872-D874 IonicContact NE-OD1 3.6Å; R872-D874 PolarHBondContact NE-OD1 3.3Å; R872-D874 IonicContact NE-OD2 2.67Å; R872-D874 IonicContact NH2-OD1 3.33Å; R872-D874 PolarHBondContact NH2-OD1 3.3Å; R872-D874 IonicContact NH2-OD2 2.89Å; R872-D874 PolarHBondContact NH2-OD2 2.64Å
875	L	92.5	Very high	95.8	Very high	49 Å²	49	26.7 Å²	26.7	26%	0.257	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-114.5	2.4	-177.3	-59.2	175.6	0	0	0	113.7	H483 P758 R871 R872 V873	H483-L875 HydrophobicContact CB-CB 4.17Å; P758-L875 HydrophobicContact CB-CD1 3.63Å; P758-L875 HydrophobicContact CG-CD1 4.13Å; R871-L875 PolarHBondContact NH2-O 2.96Å; R872-L875 HydrophobicContact CB-CD1 4.32Å; R872-L875 PolarHBondContact O-N 2.79Å; V873-L875 PolarHBondContact O-N 3.02Å
876	L	82.1	Confident	95.6	Very high	99 Å²	99	29.1 Å²	29.1	52%	0.518	15%	0.151	S	C	.	.			trans	-66.8	0	-167.2	-84.3	179.5	0	0	0	115.8	P485 R811 R871 V873	P485-L876 WeakPolarHBondContact CD-OXT 3.41Å; R811-L876 HydrophobicContact CB-CD1 4.05Å; R871-L876 HydrophobicContact CG-CD2 4.22Å; R871-L876 PolarHBondContact NH2-OXT 3.49Å; V873-L876 HydrophobicContact CB-CD1 4.26Å; V873-L876 HydrophobicContact CG1-CD1 4.27Å; V873-L876 HydrophobicContact CG2-CD1 3.98Å; V873-L876 PolarHBondContact O-N 3.05Å

Retrieved 876 of 876 residues in 813 ms (Link to these results)

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