A0A5K4F158_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F158, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,190 aa.

						>A0A5K4F158_SCHMA|A0A5K4F158
MAHLLTADKLAEIKNYEEQMFDYFSHYSAKLREWYANGGDKSEDYKAQYDKLTEEYYRYLKYIQRLRSMTTMGCDISHQVSVEANNLQNTPSFVQRQTVDSIPNSNTTYSASAAADYTRYYQNMISYFGKLLESVQQNDPECNESSDEENRDKEKIKPGGTVDHDNSQDNAVSIEKVSSENSEILDPCSDPNAVMKEYFDRYVKAGDWDWASWNNYLSWIARTNPQWYEIFVNLSRGLGIDWDDMYKKWVSSVSGDSSCNKNPPMSYYSCDQNFSFANYLGLGSTDIPTVCKQNVENDDYDDSEGSQHYCVTCKQDFGTERAFMLHIRGVTHTQRTLQSSGINSFDSTVLEENWEVKHHEWLKSQYLNGLNSIVGLSGSFYCELCEVEFPSHKALGSHLNGRRHRENVFIFESTGDRSLLKGKRQAQVKVTAKIQPFLDVCTQPLIGLNYMIEYQLQELDECLYICSLCNQWLPKKSVINHLCSIVHRKTYLNTYYLPLFRIIDRDYSDKSLQACRLEVYARKIEDFEGRKRLIIKEHSVADFDLQSEIIRLIQEHNEARLLKEKCRKSPPRTCEHSASNTPVSGDLEEGEIREDSSDEEPNTEEVSTPDSESSFYARYNVIMKSIDKKRNSVTDGDTSKPNRKSQFLMDTITSENKDIQLNGEFVEDVTITDEDCEKYIQELEHEGLLQLKASNSSGKLRRDSSYTDQFTKEADWVLEKLKTLKSRHEENLRQTAADVSATARIQANKLSNTENSPVQHCSFIHDFSYNHYYKSRFDKGLILPPLGTPVGPSVPIYKNYNYPIPPNTGSLDERNANPGESSTRIALSSSAFNVILSAIDALKSSGQLPRGLNPTLKEKNINVIQIKNPSQQIVNRDNQQYISPSYNQISGLEDPVHCTSVDSTANNAPLTTNSEHVNPPHLDVSRPVYAPVPINREGLNKIPNSPQRGVEFHKNQVVSTSFNRHAQNNPPLKSLINPYEPQNIMHQPASDNLTNDEKIFDAYTIFSKRCELKKAQKQSWIKTPRYFRRGMRGEVNQGSATNSHFHNSTGRRLSAIADFLGVNEPPTERKRVHTSNNLESHPASNLPYHSYSSNTFQHPLTLNNHTSFSQPVCPPVYANQSTNHKIPSIPLNLMNFPRSLPPYAAPNSYTLTNPHTNSSFWPGHLNLDSSVPSPSQSLQYYNSSFLPTFK
					

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(Predicted Aligned Error values between residue pairs)

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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	31.6	Very low	53.7	Low	234 Å²	234	100.7 Å²	100.7	100%	1.153	57%	0.571	S	S	*	*				0	82.6	0	-63.8	173.6	-174.7	0	0	108.7
2	A	33	Very low	54.9	Low	63 Å²	63	99.8 Å²	99.8	52%	0.521	56%	0.559	S	S	.	*			trans	-129	96	-175.3	0	0	0	0	0	109.9	L4	A2-L4 PolarHBondContact O-N 2.81Å
3	H	39.9	Very low	55.8	Low	127 Å²	127	94.8 Å²	94.8	59%	0.588	53%	0.53	S	S	*	.			trans	-75.6	113.4	167.3	-87.6	-66.1	0	0	0	108.2	L5	H3-L5 PolarHBondContact O-N 2.77Å
4	L	43.3	Very low	56.7	Low	164 Å²	164	98.4 Å²	98.4	86%	0.859	54%	0.537	S	S	*	.			trans	-51.6	131.2	168.3	-75.9	109.3	0	0	0	109.6	A2 T6	A2-L4 PolarHBondContact O-N 2.81Å; L4-T6 PolarHBondContact O-N 3.18Å
5	L	55.6	Low	57.9	Low	68 Å²	68	97.6 Å²	97.6	36%	0.356	53%	0.532	S	S	.	.			trans	-64.3	115.6	168.4	-76.6	153.9	0	0	0	107.7	H3 K9 L10 T70	H3-L5 PolarHBondContact O-N 2.77Å; L5-K9 HydrophobicContact CB-CB 4.48Å; L5-K9 HydrophobicContact CD2-CB 3.75Å; L5-K9 HydrophobicContact CD2-CD 3.92Å; L5-K9 HydrophobicContact CD2-CG 4.47Å; L5-L10 HydrophobicContact CB-CG 4.37Å; L5-T70 HydrophobicContact CD1-CG2 3.41Å; L5-T70 VanDerWaalsContact CD1-CG2 3.41Å
6	T	64.8	Low	58.3	Low	67 Å²	67	94.9 Å²	94.9	41%	0.411	51%	0.512	S	S	.	.			trans	-63.1	159.7	176.1	60.9	0	0	0	0	110.2	L4 D8 K9 L10	L4-T6 PolarHBondContact O-N 3.18Å; T6-D8 WeakPolarHBondContact CB-OD2 3.37Å; T6-D8 PolarHBondContact O-N 3.37Å; T6-D8 VanDerWaalsContact O-N 3.13Å; T6-D8 PolarHBondContact OG1-OD2 3.47Å; T6-K9 PolarHBondContact O-N 3.31Å; T6-L10 PolarHBondContact O-N 3.21Å; T6-L10 VanDerWaalsContact O-N 3.13Å
7	A	60.7	Low	59.2	Low	79 Å²	79	92.8 Å²	92.8	65%	0.653	50%	0.498	S	S	*	.	H	α-helix	trans	-53.2	-34.8	176	0	0	0	0	0	111.7	L10 A11	A7-L10 PolarHBondContact O-N 3.36Å; A7-A11 PolarHBondContact O-N 2.91Å
8	D	66.5	Low	60.1	Low	116 Å²	116	94.9 Å²	94.9	62%	0.62	51%	0.505	S	S	*	.	H	α-helix	trans	-62.2	-43.5	176.2	-30.9	-68.1	0	0	0	111.9	T6 L10 A11 E12	T6-D8 WeakPolarHBondContact CB-OD2 3.37Å; T6-D8 PolarHBondContact O-N 3.37Å; T6-D8 VanDerWaalsContact O-N 3.13Å; T6-D8 PolarHBondContact OG1-OD2 3.47Å; D8-L10 VanDerWaalsContact C-N 3.32Å; D8-L10 PolarHBondContact O-N 3.47Å; D8-A11 CarbonylContact O-C 3.51Å; D8-A11 WeakPolarHBondContact O-CB 3.42Å; D8-A11 PolarHBondContact O-N 3.23Å; D8-A11 VanDerWaalsContact O-N 3.14Å; D8-E12 WeakPolarHBondContact O-CB 3.33Å; D8-E12 PolarHBondContact O-N 2.98Å
9	K	62	Low	60.9	Low	50 Å²	50	94.8 Å²	94.8	22%	0.217	50%	0.501	C	S	.	.	H	α-helix	trans	-69.4	-30.2	177.1	-67.8	-172.9	178.2	-174.1	0	112.4	L5 T6 I13 S110	L5-K9 HydrophobicContact CB-CB 4.48Å; L5-K9 HydrophobicContact CD2-CB 3.75Å; L5-K9 HydrophobicContact CD2-CD 3.92Å; L5-K9 HydrophobicContact CD2-CG 4.47Å; T6-K9 PolarHBondContact O-N 3.31Å; K9-I13 WeakPolarHBondContact O-CB 2.98Å; K9-I13 WeakPolarHBondContact O-CD1 3.33Å; K9-I13 WeakPolarHBondContact O-CG1 3.27Å; K9-I13 PolarHBondContact O-N 3.42Å; K9-S110 PolarHBondContact NZ-O 3.47Å
10	L	62.9	Low	61.6	Low	82 Å²	82	91.5 Å²	91.5	43%	0.429	48%	0.483	S	S	.	.	H	α-helix	trans	-74.3	-27.1	171.2	-69.1	168.2	0	0	0	112.5	L5 T6 A7 D8 K14	L5-L10 HydrophobicContact CB-CG 4.37Å; T6-L10 PolarHBondContact O-N 3.21Å; T6-L10 VanDerWaalsContact O-N 3.13Å; A7-L10 PolarHBondContact O-N 3.36Å; D8-L10 VanDerWaalsContact C-N 3.32Å; D8-L10 PolarHBondContact O-N 3.47Å; L10-K14 WeakPolarHBondContact O-CG 3.49Å; L10-K14 PolarHBondContact O-N 3.4Å
11	A	69.9	Low	62.2	Low	58 Å²	58	93.8 Å²	93.8	48%	0.479	49%	0.489	S	S	.	.	H	α-helix	trans	-74.1	-41	169.6	0	0	0	0	0	111.7	A7 D8 K14 N15	A7-A11 PolarHBondContact O-N 2.91Å; D8-A11 CarbonylContact O-C 3.51Å; D8-A11 WeakPolarHBondContact O-CB 3.42Å; D8-A11 PolarHBondContact O-N 3.23Å; D8-A11 VanDerWaalsContact O-N 3.14Å; A11-K14 PolarHBondContact O-N 3.12Å; A11-N15 WeakPolarHBondContact O-CB 3.46Å; A11-N15 PolarHBondContact O-N 2.83Å
12	E	68.5	Low	64.3	Low	89 Å²	89	87.4 Å²	87.4	42%	0.416	46%	0.46	S	S	.	.	H	α-helix	trans	-59.5	-46.8	174	-170.7	177.2	-160.4	0	0	111.1	D8 K14 N15 Y16 T118	D8-E12 WeakPolarHBondContact O-CB 3.33Å; D8-E12 PolarHBondContact O-N 2.98Å; E12-K14 PolarHBondContact O-N 2.63Å; E12-N15 PolarHBondContact O-N 3.5Å; E12-Y16 WeakPolarHBondContact O-CB 3.13Å; E12-Y16 PolarHBondContact O-N 2.94Å; E12-T118 PolarHBondContact OE1-OG1 3.09Å
13	I	66	Low	66.3	Low	36 Å²	36	87.2 Å²	87.2	19%	0.185	45%	0.446	C	S	.	.	H	α-helix	trans	-60.8	-40.8	174.8	-70.6	165.2	0	0	0	111.9	K9 Y16 E17 L66	K9-I13 WeakPolarHBondContact O-CB 2.98Å; K9-I13 WeakPolarHBondContact O-CD1 3.33Å; K9-I13 WeakPolarHBondContact O-CG1 3.27Å; K9-I13 PolarHBondContact O-N 3.42Å; I13-Y16 PolarHBondContact O-N 3.45Å; I13-E17 PolarHBondContact O-N 3.04Å; I13-L66 HydrophobicContact CD1-CD1 4.26Å; I13-L66 HydrophobicContact CD1-CD2 4.44Å; I13-L66 HydrophobicContact CG1-CD1 4.08Å; I13-L66 HydrophobicContact CG2-CD1 4.17Å
14	K	69.4	Low	68.2	Low	144 Å²	144	82.3 Å²	82.3	63%	0.626	42%	0.423	S	S	*	.	H	α-helix	trans	-68.4	-43.4	177.7	-78.6	177.1	178.1	178.7	0	112.7	L10 A11 E12 Y16 E17 E18	L10-K14 WeakPolarHBondContact O-CG 3.49Å; L10-K14 PolarHBondContact O-N 3.4Å; A11-K14 PolarHBondContact O-N 3.12Å; E12-K14 PolarHBondContact O-N 2.63Å; K14-Y16 PolarHBondContact O-N 3.37Å; K14-E17 PolarHBondContact O-N 3.26Å; K14-E18 WeakPolarHBondContact O-CB 3.11Å; K14-E18 PolarHBondContact O-N 3.06Å
15	N	74.2	Confident	69.9	Low	87 Å²	87	76.8 Å²	76.8	47%	0.465	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-35.1	174	-171.9	9.3	0	0	0	110.8	A11 E12 Q19	A11-N15 WeakPolarHBondContact O-CB 3.46Å; A11-N15 PolarHBondContact O-N 2.83Å; E12-N15 PolarHBondContact O-N 3.5Å; N15-Q19 VanDerWaalsContact CG-NE2 3.3Å; N15-Q19 WeakPolarHBondContact O-CB 3.46Å; N15-Q19 VanDerWaalsContact O-CG 3.31Å; N15-Q19 WeakPolarHBondContact O-CG 3.38Å; N15-Q19 PolarHBondContact O-N 3.27Å; N15-Q19 PolarHBondContact O-NE2 3.19Å; N15-Q19 PolarHBondContact OD1-NE2 2.64Å
16	Y	63.6	Low	71	Confident	54 Å²	54	79.1 Å²	79.1	21%	0.212	41%	0.407	C	S	.	.	H	α-helix	trans	-73.5	-39.4	173.4	-168.8	-102.2	0	0	0	113.5	E12 I13 K14 E18 M20 Y59 Y62 Y121	E12-Y16 WeakPolarHBondContact O-CB 3.13Å; E12-Y16 PolarHBondContact O-N 2.94Å; I13-Y16 PolarHBondContact O-N 3.45Å; K14-Y16 PolarHBondContact O-N 3.37Å; Y16-E18 VanDerWaalsContact C-N 3.26Å; Y16-E18 PolarHBondContact O-N 3.44Å; Y16-M20 HydrophobicContact CD1-CG 4.1Å; Y16-M20 HydrophobicContact CD2-CG 4.44Å; Y16-M20 HydrophobicContact CE1-CG 3.67Å; Y16-M20 HydrophobicContact CE1-SD 4.4Å; Y16-M20 HydrophobicContact CE2-CG 4.03Å; Y16-M20 HydrophobicContact CE2-SD 4.1Å; Y16-M20 HydrophobicContact CG-CG 4.45Å; Y16-M20 WeakPolarHBondContact O-CB 3.28Å; Y16-M20 VanDerWaalsContact O-CG 3.28Å; Y16-M20 WeakPolarHBondContact O-CG 3.31Å; Y16-M20 PolarHBondContact O-N 3.03Å; Y16-M20 PolarHBondContact OH-SD 3.1Å; Y16-Y59 HydrophobicContact CE1-CD2 4.44Å; Y16-Y59 HydrophobicContact CE1-CE2 4.48Å; Y16-Y62 HydrophobicContact CD1-CE1 4.43Å; Y16-Y62 HydrophobicContact CE1-CD1 4.27Å; Y16-Y62 HydrophobicContact CE1-CE1 4.14Å; Y16-Y121 HydrophobicContact CE1-CE1 4.33Å; Y16-Y121 AromaticContact CE2-CD1 3.85Å; Y16-Y121 HydrophobicContact CE2-CD1 3.85Å; Y16-Y121 AromaticContact CE2-CE1 3.7Å; Y16-Y121 HydrophobicContact CE2-CE1 3.7Å; Y16-Y121 HydrophobicContact CE2-CG 4.39Å; Y16-Y121 AromaticContact CZ-CE1 3.52Å; Y16-Y121 AromaticContact CZ-CZ 3.88Å; Y16-Y121 VanDerWaalsContact OH-CE1 3.31Å; Y16-Y121 WeakPolarHBondContact OH-CE1 3.45Å
17	E	74	Confident	71.5	Confident	60 Å²	60	77.7 Å²	77.7	28%	0.28	39%	0.394	S	S	.	.	H	α-helix	trans	-59.8	-37	170.5	-77.8	-172.6	147.2	0	0	111.5	I13 K14 F21 I63 R67	I13-E17 PolarHBondContact O-N 3.04Å; K14-E17 PolarHBondContact O-N 3.26Å; E17-F21 WeakPolarHBondContact O-CB 3.12Å; E17-F21 PolarHBondContact O-N 3.47Å; E17-I63 HydrophobicContact CG-CD1 3.87Å; E17-R67 IonicContact OE1-CZ 2.91Å; E17-R67 IonicContact OE1-NH2 3.55Å; E17-R67 PolarHBondContact OE1-NH2 3.27Å
18	E	76.5	Confident	72.2	Confident	131 Å²	131	75.7 Å²	75.7	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-71.4	-51	177.4	-164.9	161	-152.4	0	0	111.9	K14 Y16 M20 F21 D22	K14-E18 WeakPolarHBondContact O-CB 3.11Å; K14-E18 PolarHBondContact O-N 3.06Å; Y16-E18 VanDerWaalsContact C-N 3.26Å; Y16-E18 PolarHBondContact O-N 3.44Å; E18-M20 VanDerWaalsContact C-N 3.34Å; E18-M20 PolarHBondContact O-N 3.07Å; E18-F21 WeakPolarHBondContact O-CB 3.5Å; E18-F21 PolarHBondContact O-N 3.03Å; E18-F21 VanDerWaalsContact O-N 3.14Å; E18-D22 PolarHBondContact O-N 3.21Å; E18-D22 VanDerWaalsContact O-N 3.08Å
19	Q	74.8	Confident	72.8	Confident	93 Å²	93	72.3 Å²	72.3	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-38.4	176.3	-75.7	172.4	51.8	0	0	113.5	N15 D22 Y23	N15-Q19 VanDerWaalsContact CG-NE2 3.3Å; N15-Q19 WeakPolarHBondContact O-CB 3.46Å; N15-Q19 VanDerWaalsContact O-CG 3.31Å; N15-Q19 WeakPolarHBondContact O-CG 3.38Å; N15-Q19 PolarHBondContact O-N 3.27Å; N15-Q19 PolarHBondContact O-NE2 3.19Å; N15-Q19 PolarHBondContact OD1-NE2 2.64Å; Q19-D22 PolarHBondContact O-N 3.14Å; Q19-Y23 WeakPolarHBondContact O-CB 3.13Å; Q19-Y23 PolarHBondContact O-N 3.21Å
20	M	73.6	Confident	73.6	Confident	27 Å²	27	74.3 Å²	74.3	13%	0.133	37%	0.372	C	S	.	.	H	α-helix	trans	-70.3	-34.2	177.1	-70.7	-56.8	-53	0	0	112	Y16 E18 Y23 F24 Y59	Y16-M20 HydrophobicContact CD1-CG 4.1Å; Y16-M20 HydrophobicContact CD2-CG 4.44Å; Y16-M20 HydrophobicContact CE1-CG 3.67Å; Y16-M20 HydrophobicContact CE1-SD 4.4Å; Y16-M20 HydrophobicContact CE2-CG 4.03Å; Y16-M20 HydrophobicContact CE2-SD 4.1Å; Y16-M20 HydrophobicContact CG-CG 4.45Å; Y16-M20 WeakPolarHBondContact O-CB 3.28Å; Y16-M20 VanDerWaalsContact O-CG 3.28Å; Y16-M20 WeakPolarHBondContact O-CG 3.31Å; Y16-M20 PolarHBondContact O-N 3.03Å; Y16-M20 PolarHBondContact OH-SD 3.1Å; E18-M20 VanDerWaalsContact C-N 3.34Å; E18-M20 PolarHBondContact O-N 3.07Å; M20-Y23 HydrophobicContact CE-CD1 4.16Å; M20-Y23 PolarHBondContact O-N 3.18Å; M20-F24 HydrophobicContact CB-CE2 4.4Å; M20-F24 HydrophobicContact CE-CD2 4.17Å; M20-F24 HydrophobicContact CE-CE2 3.39Å; M20-F24 HydrophobicContact CE-CZ 3.63Å; M20-F24 WeakPolarHBondContact O-CD2 3.21Å; M20-F24 PolarHBondContact O-N 2.85Å; M20-Y59 HydrophobicContact CB-CD2 3.92Å; M20-Y59 HydrophobicContact CB-CE2 3.54Å; M20-Y59 HydrophobicContact CE-CD2 4.23Å; M20-Y59 HydrophobicContact CG-CD2 3.8Å; M20-Y59 HydrophobicContact CG-CE2 3.71Å
21	F	74.2	Confident	74.3	Confident	141 Å²	141	70.8 Å²	70.8	62%	0.618	35%	0.354	S	S	*	.	H	α-helix	trans	-62.9	-44.6	173.2	-179.7	-93.6	0	0	0	111.6	E17 E18 S25	E17-F21 WeakPolarHBondContact O-CB 3.12Å; E17-F21 PolarHBondContact O-N 3.47Å; E18-F21 WeakPolarHBondContact O-CB 3.5Å; E18-F21 PolarHBondContact O-N 3.03Å; E18-F21 VanDerWaalsContact O-N 3.14Å; F21-S25 VanDerWaalsContact O-CB 3.22Å; F21-S25 WeakPolarHBondContact O-CB 3.26Å; F21-S25 PolarHBondContact O-N 2.91Å; F21-S25 PolarHBondContact O-OG 2.84Å
22	D	76.5	Confident	74.5	Confident	100 Å²	100	75.5 Å²	75.5	54%	0.535	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-41.8	175.3	-75.7	-13.7	0	0	0	111.9	E18 Q19 S25 H26	E18-D22 PolarHBondContact O-N 3.21Å; E18-D22 VanDerWaalsContact O-N 3.08Å; Q19-D22 PolarHBondContact O-N 3.14Å; D22-S25 PolarHBondContact O-N 2.8Å; D22-H26 WeakPolarHBondContact O-CB 3.38Å; D22-H26 PolarHBondContact O-N 2.85Å
23	Y	74.8	Confident	75	Confident	58 Å²	58	77 Å²	77	23%	0.227	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-53.6	176.8	178.7	-95.8	0	0	0	112.4	Q19 M20 S25 H26 Y27 L52	Q19-Y23 WeakPolarHBondContact O-CB 3.13Å; Q19-Y23 PolarHBondContact O-N 3.21Å; M20-Y23 HydrophobicContact CE-CD1 4.16Å; M20-Y23 PolarHBondContact O-N 3.18Å; Y23-S25 VanDerWaalsContact C-N 3.29Å; Y23-S25 PolarHBondContact O-N 3.14Å; Y23-H26 PolarHBondContact O-N 3.32Å; Y23-Y27 AromaticContact CE2-CD2 3.97Å; Y23-Y27 HydrophobicContact CE2-CD2 3.97Å; Y23-Y27 HydrophobicContact CE2-CE2 4.29Å; Y23-Y27 AromaticContact CZ-CD2 3.94Å; Y23-Y27 PolarHBondContact O-N 3.32Å; Y23-L52 HydrophobicContact CE1-CD1 4.42Å
24	F	80.3	Confident	75.4	Confident	25 Å²	25	79.8 Å²	79.8	11%	0.11	37%	0.374	C	S	.	.	H	α-helix	trans	-64.7	-33.9	178.2	-70.7	-61.1	0	0	0	112	M20 S28 L52 E55 Y56 Y59	M20-F24 HydrophobicContact CB-CE2 4.4Å; M20-F24 HydrophobicContact CE-CD2 4.17Å; M20-F24 HydrophobicContact CE-CE2 3.39Å; M20-F24 HydrophobicContact CE-CZ 3.63Å; M20-F24 WeakPolarHBondContact O-CD2 3.21Å; M20-F24 PolarHBondContact O-N 2.85Å; F24-S28 WeakPolarHBondContact O-CB 3.37Å; F24-S28 PolarHBondContact O-N 2.8Å; F24-S28 PolarHBondContact O-OG 3.39Å; F24-L52 HydrophobicContact CD1-CD1 3.74Å; F24-L52 HydrophobicContact CD1-CG 4.36Å; F24-L52 HydrophobicContact CE1-CD1 4.07Å; F24-E55 HydrophobicContact CE1-CB 4.35Å; F24-Y56 HydrophobicContact CD1-CD2 4.36Å; F24-Y56 HydrophobicContact CD2-CD2 4.16Å; F24-Y56 HydrophobicContact CE1-CD2 4.23Å; F24-Y56 HydrophobicContact CE2-CD2 4.02Å; F24-Y56 HydrophobicContact CG-CD2 4.36Å; F24-Y56 HydrophobicContact CZ-CD2 4.09Å; F24-Y59 AromaticContact CE2-CD1 3.91Å; F24-Y59 HydrophobicContact CE2-CD1 3.91Å; F24-Y59 HydrophobicContact CE2-CD2 4.43Å; F24-Y59 AromaticContact CE2-CG 3.84Å; F24-Y59 HydrophobicContact CE2-CG 3.84Å; F24-Y59 HydrophobicContact CZ-CG 4.38Å
25	S	79.1	Confident	75.5	Confident	48 Å²	48	77.6 Å²	77.6	34%	0.336	36%	0.363	S	S	.	.	H	α-helix	trans	-65	-46.9	174.9	-63.7	0	0	0	0	111.9	F21 D22 Y23 S28 A29	F21-S25 VanDerWaalsContact O-CB 3.22Å; F21-S25 WeakPolarHBondContact O-CB 3.26Å; F21-S25 PolarHBondContact O-N 2.91Å; F21-S25 PolarHBondContact O-OG 2.84Å; D22-S25 PolarHBondContact O-N 2.8Å; Y23-S25 VanDerWaalsContact C-N 3.29Å; Y23-S25 PolarHBondContact O-N 3.14Å; S25-S28 PolarHBondContact O-OG 3.04Å; S25-S28 VanDerWaalsContact O-OG 3.14Å; S25-A29 WeakPolarHBondContact O-CB 3.37Å; S25-A29 PolarHBondContact O-N 3.47Å; S25-A29 VanDerWaalsContact O-N 3.08Å
26	H	77.9	Confident	75.5	Confident	116 Å²	116	77.2 Å²	77.2	54%	0.537	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-49.3	178.2	-179.5	77.3	0	0	0	112.2	D22 Y23 S28 A29 K30	D22-H26 WeakPolarHBondContact O-CB 3.38Å; D22-H26 PolarHBondContact O-N 2.85Å; Y23-H26 PolarHBondContact O-N 3.32Å; H26-S28 PolarHBondContact O-N 3.46Å; H26-A29 WeakPolarHBondContact O-CB 3.37Å; H26-A29 PolarHBondContact O-N 3.43Å; H26-A29 VanDerWaalsContact O-N 3.15Å; H26-K30 PolarHBondContact O-N 2.83Å
27	Y	76	Confident	75.9	Confident	37 Å²	37	80.7 Å²	80.7	15%	0.145	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-39.5	-178.7	-124.1	-88.4	0	0	0	112.3	Y23 A29 K30 L31 L52 L132	Y23-Y27 AromaticContact CE2-CD2 3.97Å; Y23-Y27 HydrophobicContact CE2-CD2 3.97Å; Y23-Y27 HydrophobicContact CE2-CE2 4.29Å; Y23-Y27 AromaticContact CZ-CD2 3.94Å; Y23-Y27 PolarHBondContact O-N 3.32Å; Y27-A29 VanDerWaalsContact C-N 3.27Å; Y27-A29 PolarHBondContact O-N 3.24Å; Y27-K30 PolarHBondContact O-N 2.92Å; Y27-L31 HydrophobicContact CD1-CD1 4.33Å; Y27-L31 WeakPolarHBondContact O-CB 3.33Å; Y27-L31 PolarHBondContact O-N 3.21Å; Y27-L52 HydrophobicContact CD1-CD1 4.25Å; Y27-L52 HydrophobicContact CG-CD1 4.2Å; Y27-L132 HydrophobicContact CE2-CD1 4.31Å
28	S	74.9	Confident	75.4	Confident	37 Å²	37	80.5 Å²	80.5	26%	0.259	41%	0.408	S	S	.	.	H	α-helix	trans	-68.5	-26.1	174.6	71.2	0	0	0	0	112.7	F24 S25 H26 R32	F24-S28 WeakPolarHBondContact O-CB 3.37Å; F24-S28 PolarHBondContact O-N 2.8Å; F24-S28 PolarHBondContact O-OG 3.39Å; S25-S28 PolarHBondContact O-OG 3.04Å; S25-S28 VanDerWaalsContact O-OG 3.14Å; H26-S28 PolarHBondContact O-N 3.46Å; S28-R32 WeakPolarHBondContact O-CB 3.42Å; S28-R32 WeakPolarHBondContact O-CG 3.46Å; S28-R32 PolarHBondContact O-N 3.35Å; S28-R32 PolarHBondContact O-NE 2.89Å; S28-R32 PolarHBondContact OG-NH2 3.17Å
29	A	79.3	Confident	74.6	Confident	45 Å²	45	74.7 Å²	74.7	37%	0.372	38%	0.383	S	S	.	.	H	α-helix	trans	-71.2	-48.6	171	0	0	0	0	0	111	S25 H26 Y27 L31 R32 E33	S25-A29 WeakPolarHBondContact O-CB 3.37Å; S25-A29 PolarHBondContact O-N 3.47Å; S25-A29 VanDerWaalsContact O-N 3.08Å; H26-A29 WeakPolarHBondContact O-CB 3.37Å; H26-A29 PolarHBondContact O-N 3.43Å; H26-A29 VanDerWaalsContact O-N 3.15Å; Y27-A29 VanDerWaalsContact C-N 3.27Å; Y27-A29 PolarHBondContact O-N 3.24Å; A29-L31 VanDerWaalsContact C-N 3.35Å; A29-L31 PolarHBondContact O-N 2.71Å; A29-R32 WeakPolarHBondContact O-CB 3.37Å; A29-R32 PolarHBondContact O-N 3.44Å; A29-R32 VanDerWaalsContact O-N 3.08Å; A29-E33 PolarHBondContact O-N 3.49Å
30	K	78.2	Confident	73.7	Confident	92 Å²	92	75.1 Å²	75.1	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-61	-39.8	178.1	-168.2	176.2	-177.7	-178.5	0	112.6	H26 Y27 E33 W34	H26-K30 PolarHBondContact O-N 2.83Å; Y27-K30 PolarHBondContact O-N 2.92Å; K30-E33 PolarHBondContact O-N 3.02Å; K30-W34 WeakPolarHBondContact O-CB 3.3Å; K30-W34 PolarHBondContact O-N 2.84Å
31	L	77.9	Confident	72.8	Confident	8 Å²	8	83.5 Å²	83.5	4%	0.042	43%	0.425	C	S	.	.	H	α-helix	trans	-65.9	-36.2	173.3	-83.5	166.6	0	0	0	112.8	Y27 A29 W34 Y35 Y45 Q48 L52	Y27-L31 HydrophobicContact CD1-CD1 4.33Å; Y27-L31 WeakPolarHBondContact O-CB 3.33Å; Y27-L31 PolarHBondContact O-N 3.21Å; A29-L31 VanDerWaalsContact C-N 3.35Å; A29-L31 PolarHBondContact O-N 2.71Å; L31-W34 HydrophobicContact CD2-CE3 4.39Å; L31-Y35 WeakPolarHBondContact O-CB 3.35Å; L31-Y35 PolarHBondContact O-N 3.44Å; L31-Y45 HydrophobicContact CB-CE2 4.28Å; L31-Y45 HydrophobicContact CD2-CD2 3.87Å; L31-Y45 HydrophobicContact CD2-CE2 3.89Å; L31-Q48 HydrophobicContact CD2-CB 3.85Å; L31-L52 HydrophobicContact CD1-CB 4.32Å; L31-L52 HydrophobicContact CD1-CD2 3.83Å
32	R	75.7	Confident	72.3	Confident	157 Å²	157	78.3 Å²	78.3	59%	0.592	41%	0.406	S	S	*	.	H	α-helix	trans	-67.6	-39.1	173.6	-83.5	175.1	-80.2	161.5	-8.6	112.4	S28 A29 A36	S28-R32 WeakPolarHBondContact O-CB 3.42Å; S28-R32 WeakPolarHBondContact O-CG 3.46Å; S28-R32 PolarHBondContact O-N 3.35Å; S28-R32 PolarHBondContact O-NE 2.89Å; S28-R32 PolarHBondContact OG-NH2 3.17Å; A29-R32 WeakPolarHBondContact O-CB 3.37Å; A29-R32 PolarHBondContact O-N 3.44Å; A29-R32 VanDerWaalsContact O-N 3.08Å; R32-A36 WeakPolarHBondContact O-CB 3.32Å; R32-A36 PolarHBondContact O-N 3.04Å
33	E	78.5	Confident	72	Confident	120 Å²	120	81.9 Å²	81.9	56%	0.561	42%	0.419	S	S	*	.	H	α-helix	trans	-64.5	-51.4	176.5	177.7	175.2	-161	0	0	111.4	A29 K30 Y35 A36 N37	A29-E33 PolarHBondContact O-N 3.49Å; K30-E33 PolarHBondContact O-N 3.02Å; E33-Y35 PolarHBondContact O-N 3.26Å; E33-A36 CarbonylContact O-C 3.59Å; E33-A36 WeakPolarHBondContact O-CB 3.48Å; E33-A36 PolarHBondContact O-N 2.63Å; E33-A36 VanDerWaalsContact O-N 3.14Å; E33-N37 WeakPolarHBondContact O-CB 3.13Å; E33-N37 PolarHBondContact O-N 3.35Å; E33-N37 PolarHBondContact O-ND2 2.84Å
34	W	73.8	Confident	71.7	Confident	96 Å²	96	84 Å²	84	36%	0.364	43%	0.434	S	S	.	.	H	α-helix	trans	-71.3	-29.5	-178.9	178.5	74.4	0	0	0	113.1	K30 L31 N37 G39 S42 D44 Y45	K30-W34 WeakPolarHBondContact O-CB 3.3Å; K30-W34 PolarHBondContact O-N 2.84Å; L31-W34 HydrophobicContact CD2-CE3 4.39Å; W34-N37 PolarHBondContact O-N 3.43Å; W34-G39 PolarHBondContact O-N 3.01Å; W34-S42 WeakPolarHBondContact CH2-OG 3.45Å; W34-D44 HydrophobicContact CH2-CB 3.91Å; W34-Y45 AromaticContact CE3-CD2 3.95Å; W34-Y45 HydrophobicContact CE3-CD2 3.95Å; W34-Y45 AromaticContact CZ3-CD2 3.81Å; W34-Y45 HydrophobicContact CZ3-CD2 3.81Å; W34-Y45 HydrophobicContact CZ3-CG 4.22Å
35	Y	71.3	Confident	71.2	Confident	97 Å²	97	85.4 Å²	85.4	38%	0.38	44%	0.439	S	S	.	.	I	π-helix	trans	-61.2	-48.1	165.5	-177.1	-103.6	0	0	0	111.7	L31 E33 N37 G38 G39 D40 Y45	L31-Y35 WeakPolarHBondContact O-CB 3.35Å; L31-Y35 PolarHBondContact O-N 3.44Å; E33-Y35 PolarHBondContact O-N 3.26Å; Y35-N37 VanDerWaalsContact C-N 3.28Å; Y35-N37 PolarHBondContact O-N 2.87Å; Y35-G38 PolarHBondContact O-N 3.14Å; Y35-G39 PolarHBondContact O-N 3.46Å; Y35-D40 HydrophobicContact CE2-CB 4.04Å; Y35-D40 WeakPolarHBondContact CE2-OD1 3.19Å; Y35-D40 PolarHBondContact OH-OD1 3.4Å; Y35-Y45 HydrophobicContact CD2-CD1 4.23Å; Y35-Y45 HydrophobicContact CD2-CD2 4.33Å; Y35-Y45 AromaticContact CD2-CE1 3.96Å; Y35-Y45 HydrophobicContact CD2-CE1 3.96Å; Y35-Y45 HydrophobicContact CD2-CE2 4.07Å; Y35-Y45 HydrophobicContact CD2-CG 4.41Å; Y35-Y45 AromaticContact CD2-CZ 3.87Å; Y35-Y45 HydrophobicContact CE2-CE1 4.45Å; Y35-Y45 HydrophobicContact CG-CE2 4.22Å
36	A	74	Confident	70.8	Confident	80 Å²	80	89.7 Å²	89.7	66%	0.661	45%	0.452	S	S	*	.	I	π-helix	trans	-64.1	-30.4	177.6	0	0	0	0	0	113.4	R32 E33 G38	R32-A36 WeakPolarHBondContact O-CB 3.32Å; R32-A36 PolarHBondContact O-N 3.04Å; E33-A36 CarbonylContact O-C 3.59Å; E33-A36 WeakPolarHBondContact O-CB 3.48Å; E33-A36 PolarHBondContact O-N 2.63Å; E33-A36 VanDerWaalsContact O-N 3.14Å; A36-G38 PolarHBondContact O-N 3.28Å
37	N	72	Confident	70.8	Confident	126 Å²	126	87 Å²	87	67%	0.674	45%	0.449	S	S	*	.	I	π-helix	trans	-81.4	13.8	177.5	-66.4	-16.7	0	0	0	113.9	E33 W34 Y35	E33-N37 WeakPolarHBondContact O-CB 3.13Å; E33-N37 PolarHBondContact O-N 3.35Å; E33-N37 PolarHBondContact O-ND2 2.84Å; W34-N37 PolarHBondContact O-N 3.43Å; Y35-N37 VanDerWaalsContact C-N 3.28Å; Y35-N37 PolarHBondContact O-N 2.87Å
38	G	63.7	Low	70.7	Confident	56 Å²	56	88.8 Å²	88.8	58%	0.577	46%	0.459	S	S	*	.	I	π-helix	trans	103.8	11.7	173.1	0	0	0	0	0	115.7	Y35 A36 D40	Y35-G38 PolarHBondContact O-N 3.14Å; A36-G38 PolarHBondContact O-N 3.28Å; G38-D40 PolarHBondContact O-N 3.45Å
39	G	61.1	Low	70.7	Confident	9 Å²	9	91.4 Å²	91.4	9%	0.093	46%	0.464	C	S	.	.	I	π-helix	trans	-63.4	-1.6	173.1	0	0	0	0	0	115.5	W34 Y35 K41 S42	W34-G39 PolarHBondContact O-N 3.01Å; Y35-G39 PolarHBondContact O-N 3.46Å; G39-K41 PolarHBondContact O-N 2.87Å; G39-S42 PolarHBondContact O-N 3Å; G39-S42 VanDerWaalsContact O-N 3.1Å; G39-S42 PolarHBondContact O-OG 3.44Å; G39-S42 VanDerWaalsContact O-OG 3.07Å
40	D	55.7	Low	70.6	Confident	103 Å²	103	93.1 Å²	93.1	55%	0.551	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	16	-176.8	-160.1	37.4	0	0	0	115.9	Y35 G38	Y35-D40 HydrophobicContact CE2-CB 4.04Å; Y35-D40 WeakPolarHBondContact CE2-OD1 3.19Å; Y35-D40 PolarHBondContact OH-OD1 3.4Å; G38-D40 PolarHBondContact O-N 3.45Å
41	K	54.6	Low	70.7	Confident	203 Å²	203	93 Å²	93	88%	0.883	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.8	-2.5	177.7	-67.5	-172.5	179.9	177.5	0	114.9	G39	G39-K41 PolarHBondContact O-N 2.87Å
42	S	63.5	Low	70.9	Confident	32 Å²	32	93.7 Å²	93.7	22%	0.224	47%	0.47	C	S	.	.			trans	-89	132.8	-175.9	59.2	0	0	0	0	112	W34 G39 D44 Y45	W34-S42 WeakPolarHBondContact CH2-OG 3.45Å; G39-S42 PolarHBondContact O-N 3Å; G39-S42 VanDerWaalsContact O-N 3.1Å; G39-S42 PolarHBondContact O-OG 3.44Å; G39-S42 VanDerWaalsContact O-OG 3.07Å; S42-D44 PolarHBondContact O-N 2.96Å; S42-Y45 PolarHBondContact O-N 3.34Å; S42-Y45 WeakPolarHBondContact OG-CB 3.43Å; S42-Y45 PolarHBondContact OG-N 3.42Å
43	E	69	Low	70.8	Confident	174 Å²	174	88.1 Å²	88.1	81%	0.813	45%	0.453	S	S	*	.	H	α-helix	trans	-61.5	-28.3	165.3	-62.8	-171.5	134	0	0	110.2	Y45 K46 A47	E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 3.05Å; E43-K46 PolarHBondContact O-N 3.26Å; E43-K46 VanDerWaalsContact O-N 3.14Å; E43-A47 WeakPolarHBondContact O-CB 3.27Å; E43-A47 PolarHBondContact O-N 3.26Å
44	D	68.8	Low	70.8	Confident	102 Å²	102	87 Å²	87	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-59	-31.5	173.6	-49.8	-75.4	0	0	0	113.6	W34 S42 Q48	W34-D44 HydrophobicContact CH2-CB 3.91Å; S42-D44 PolarHBondContact O-N 2.96Å; D44-Q48 VanDerWaalsContact O-CB 3.31Å; D44-Q48 WeakPolarHBondContact O-CB 3.22Å; D44-Q48 VanDerWaalsContact O-CG 3.28Å; D44-Q48 WeakPolarHBondContact O-CG 3.5Å; D44-Q48 PolarHBondContact O-N 2.84Å
45	Y	69.7	Low	70.9	Confident	56 Å²	56	83.9 Å²	83.9	22%	0.22	44%	0.438	C	S	.	.	H	α-helix	trans	-68.1	-45.8	173.4	178.8	-100.1	0	0	0	111.6	L31 W34 Y35 S42 E43 Q48 Y49	L31-Y45 HydrophobicContact CB-CE2 4.28Å; L31-Y45 HydrophobicContact CD2-CD2 3.87Å; L31-Y45 HydrophobicContact CD2-CE2 3.89Å; W34-Y45 AromaticContact CE3-CD2 3.95Å; W34-Y45 HydrophobicContact CE3-CD2 3.95Å; W34-Y45 AromaticContact CZ3-CD2 3.81Å; W34-Y45 HydrophobicContact CZ3-CD2 3.81Å; W34-Y45 HydrophobicContact CZ3-CG 4.22Å; Y35-Y45 HydrophobicContact CD2-CD1 4.23Å; Y35-Y45 HydrophobicContact CD2-CD2 4.33Å; Y35-Y45 AromaticContact CD2-CE1 3.96Å; Y35-Y45 HydrophobicContact CD2-CE1 3.96Å; Y35-Y45 HydrophobicContact CD2-CE2 4.07Å; Y35-Y45 HydrophobicContact CD2-CG 4.41Å; Y35-Y45 AromaticContact CD2-CZ 3.87Å; Y35-Y45 HydrophobicContact CE2-CE1 4.45Å; Y35-Y45 HydrophobicContact CG-CE2 4.22Å; S42-Y45 PolarHBondContact O-N 3.34Å; S42-Y45 WeakPolarHBondContact OG-CB 3.43Å; S42-Y45 PolarHBondContact OG-N 3.42Å; E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 3.05Å; Y45-Q48 PolarHBondContact O-N 2.81Å; Y45-Y49 VanDerWaalsContact O-CB 3.22Å; Y45-Y49 WeakPolarHBondContact O-CB 3.16Å; Y45-Y49 PolarHBondContact O-N 2.9Å
46	K	70.9	Confident	71.1	Confident	138 Å²	138	84.3 Å²	84.3	60%	0.6	44%	0.439	S	S	*	.	H	α-helix	trans	-62.6	-47.4	176.2	-166	175.6	179.5	-176.7	0	110.4	E43 Q48 Y49 D50	E43-K46 PolarHBondContact O-N 3.26Å; E43-K46 VanDerWaalsContact O-N 3.14Å; K46-Q48 PolarHBondContact O-N 2.78Å; K46-Y49 PolarHBondContact O-N 3.38Å; K46-D50 VanDerWaalsContact O-CB 3.27Å; K46-D50 WeakPolarHBondContact O-CB 3.31Å; K46-D50 PolarHBondContact O-N 3.44Å
47	A	77.8	Confident	71.1	Confident	58 Å²	58	85.5 Å²	85.5	48%	0.479	43%	0.427	S	S	.	.	H	α-helix	trans	-59.7	-40.9	177.2	0	0	0	0	0	113.5	E43 K51	E43-A47 WeakPolarHBondContact O-CB 3.27Å; E43-A47 PolarHBondContact O-N 3.26Å; A47-K51 WeakPolarHBondContact O-CB 3.29Å; A47-K51 PolarHBondContact O-N 2.68Å
48	Q	74.1	Confident	71.3	Confident	76 Å²	76	85.2 Å²	85.2	36%	0.355	42%	0.417	S	S	.	.	H	α-helix	trans	-74.5	-35.1	176.8	-73.4	-177.6	65.5	0	0	113.2	L31 D44 Y45 K46 L52	L31-Q48 HydrophobicContact CD2-CB 3.85Å; D44-Q48 VanDerWaalsContact O-CB 3.31Å; D44-Q48 WeakPolarHBondContact O-CB 3.22Å; D44-Q48 VanDerWaalsContact O-CG 3.28Å; D44-Q48 WeakPolarHBondContact O-CG 3.5Å; D44-Q48 PolarHBondContact O-N 2.84Å; Y45-Q48 PolarHBondContact O-N 2.81Å; K46-Q48 PolarHBondContact O-N 2.78Å; Q48-L52 WeakPolarHBondContact O-CB 3.47Å; Q48-L52 PolarHBondContact O-N 2.95Å
49	Y	76.2	Confident	71.9	Confident	91 Å²	91	84.4 Å²	84.4	36%	0.357	40%	0.397	S	S	.	.	H	α-helix	trans	-67.2	-47	174.4	-179.2	-89.7	0	0	0	111.6	Y45 K46 K51 L52 T53	Y45-Y49 VanDerWaalsContact O-CB 3.22Å; Y45-Y49 WeakPolarHBondContact O-CB 3.16Å; Y45-Y49 PolarHBondContact O-N 2.9Å; K46-Y49 PolarHBondContact O-N 3.38Å; Y49-K51 VanDerWaalsContact C-N 3.29Å; Y49-K51 PolarHBondContact O-N 2.91Å; Y49-L52 PolarHBondContact O-N 3.05Å; Y49-T53 VanDerWaalsContact O-CB 3.29Å; Y49-T53 WeakPolarHBondContact O-CB 3.27Å; Y49-T53 PolarHBondContact O-N 2.81Å; Y49-T53 PolarHBondContact O-OG1 3.3Å
50	D	76.8	Confident	72.5	Confident	82 Å²	82	86.8 Å²	86.8	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-61.4	-40	176.7	-67.3	-12	0	0	0	110.2	K46 T53 E54	K46-D50 VanDerWaalsContact O-CB 3.27Å; K46-D50 WeakPolarHBondContact O-CB 3.31Å; K46-D50 PolarHBondContact O-N 3.44Å; D50-T53 WeakPolarHBondContact O-CB 3.43Å; D50-T53 PolarHBondContact O-N 3Å; D50-E54 PolarHBondContact O-N 3.42Å
51	K	80.8	Confident	73.4	Confident	90 Å²	90	89.4 Å²	89.4	39%	0.391	41%	0.413	S	S	.	.	H	α-helix	trans	-66.1	-42.6	174.5	-175.4	175.5	-178.2	177.3	0	113.5	A47 Y49 T53 E54 E55	A47-K51 WeakPolarHBondContact O-CB 3.29Å; A47-K51 PolarHBondContact O-N 2.68Å; Y49-K51 VanDerWaalsContact C-N 3.29Å; Y49-K51 PolarHBondContact O-N 2.91Å; K51-T53 VanDerWaalsContact C-N 3.27Å; K51-T53 PolarHBondContact O-N 2.85Å; K51-E54 PolarHBondContact O-N 2.77Å; K51-E55 PolarHBondContact O-N 2.92Å; K51-E55 VanDerWaalsContact O-N 3.08Å
52	L	80.4	Confident	74.1	Confident	22 Å²	22	82 Å²	82	12%	0.115	38%	0.38	C	S	.	.	H	α-helix	trans	-62.6	-39.6	174.2	-174.9	67.3	0	0	0	110.9	Y23 F24 Y27 L31 Q48 Y49 E55 Y56	Y23-L52 HydrophobicContact CE1-CD1 4.42Å; F24-L52 HydrophobicContact CD1-CD1 3.74Å; F24-L52 HydrophobicContact CD1-CG 4.36Å; F24-L52 HydrophobicContact CE1-CD1 4.07Å; Y27-L52 HydrophobicContact CD1-CD1 4.25Å; Y27-L52 HydrophobicContact CG-CD1 4.2Å; L31-L52 HydrophobicContact CD1-CB 4.32Å; L31-L52 HydrophobicContact CD1-CD2 3.83Å; Q48-L52 WeakPolarHBondContact O-CB 3.47Å; Q48-L52 PolarHBondContact O-N 2.95Å; Y49-L52 PolarHBondContact O-N 3.05Å; L52-E55 PolarHBondContact O-N 2.83Å; L52-Y56 WeakPolarHBondContact O-CB 3.43Å; L52-Y56 PolarHBondContact O-N 3.25Å
53	T	74.4	Confident	74.4	Confident	39 Å²	39	81 Å²	81	24%	0.239	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-42.6	177.6	-61.3	0	0	0	0	111.3	Y49 D50 K51 Y56 Y57	Y49-T53 VanDerWaalsContact O-CB 3.29Å; Y49-T53 WeakPolarHBondContact O-CB 3.27Å; Y49-T53 PolarHBondContact O-N 2.81Å; Y49-T53 PolarHBondContact O-OG1 3.3Å; D50-T53 WeakPolarHBondContact O-CB 3.43Å; D50-T53 PolarHBondContact O-N 3Å; K51-T53 VanDerWaalsContact C-N 3.27Å; K51-T53 PolarHBondContact O-N 2.85Å; T53-Y56 WeakPolarHBondContact O-CB 3.49Å; T53-Y56 PolarHBondContact O-N 3.36Å; T53-Y57 HydrophobicContact CG2-CD2 3.95Å; T53-Y57 HydrophobicContact CG2-CE2 3.49Å; T53-Y57 VanDerWaalsContact CG2-CE2 3.49Å; T53-Y57 WeakPolarHBondContact O-CD2 3.32Å; T53-Y57 PolarHBondContact O-N 3.29Å
54	E	78.3	Confident	74.5	Confident	98 Å²	98	79.1 Å²	79.1	46%	0.458	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-44.5	175.4	-152.4	-153.9	155.7	0	0	112	D50 K51 Y56 Y57 R58	D50-E54 PolarHBondContact O-N 3.42Å; K51-E54 PolarHBondContact O-N 2.77Å; E54-Y56 VanDerWaalsContact C-N 3.28Å; E54-Y56 PolarHBondContact O-N 3.3Å; E54-Y57 PolarHBondContact O-N 2.79Å; E54-R58 VanDerWaalsContact CD-NE 3.34Å; E54-R58 VanDerWaalsContact O-CG 3.26Å; E54-R58 WeakPolarHBondContact O-CG 3.31Å; E54-R58 PolarHBondContact O-N 2.8Å; E54-R58 IonicContact OE1-CZ 2.77Å; E54-R58 IonicContact OE1-NE 2.75Å; E54-R58 PolarHBondContact OE1-NE 3.43Å; E54-R58 IonicContact OE1-NH2 3.57Å; E54-R58 PolarHBondContact OE1-NH2 3.33Å; E54-R58 IonicContact OE2-CZ 2.61Å; E54-R58 IonicContact OE2-NE 2.89Å; E54-R58 IonicContact OE2-NH2 3.92Å; E54-R58 PolarHBondContact OE2-NH2 3.22Å
55	E	74.9	Confident	74.6	Confident	29 Å²	29	81.9 Å²	81.9	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-33.6	174.5	-70.7	-58.2	153	0	0	112.6	F24 K51 L52 R58 Y59 F128	F24-E55 HydrophobicContact CE1-CB 4.35Å; K51-E55 PolarHBondContact O-N 2.92Å; K51-E55 VanDerWaalsContact O-N 3.08Å; L52-E55 PolarHBondContact O-N 2.83Å; E55-R58 PolarHBondContact O-N 2.9Å; E55-R58 IonicContact OE1-CZ 3.8Å; E55-R58 IonicContact OE1-NE 3.05Å; E55-R58 IonicContact OE1-NH1 2.68Å; E55-R58 PolarHBondContact OE1-NH1 2.91Å; E55-Y59 WeakPolarHBondContact O-CB 2.97Å; E55-Y59 PolarHBondContact O-N 2.94Å; E55-F128 HydrophobicContact CG-CZ 4.44Å
56	Y	77.5	Confident	74.3	Confident	106 Å²	106	80.6 Å²	80.6	42%	0.416	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-43	172.9	-175.4	-107	0	0	0	112.4	F24 L52 T53 E54 Y59 L60	F24-Y56 HydrophobicContact CD1-CD2 4.36Å; F24-Y56 HydrophobicContact CD2-CD2 4.16Å; F24-Y56 HydrophobicContact CE1-CD2 4.23Å; F24-Y56 HydrophobicContact CE2-CD2 4.02Å; F24-Y56 HydrophobicContact CG-CD2 4.36Å; F24-Y56 HydrophobicContact CZ-CD2 4.09Å; L52-Y56 WeakPolarHBondContact O-CB 3.43Å; L52-Y56 PolarHBondContact O-N 3.25Å; T53-Y56 WeakPolarHBondContact O-CB 3.49Å; T53-Y56 PolarHBondContact O-N 3.36Å; E54-Y56 VanDerWaalsContact C-N 3.28Å; E54-Y56 PolarHBondContact O-N 3.3Å; Y56-Y59 PolarHBondContact O-N 3.42Å; Y56-L60 HydrophobicContact CD1-CD1 3.99Å; Y56-L60 HydrophobicContact CD1-CG 4.42Å; Y56-L60 HydrophobicContact CE1-CD1 3.48Å; Y56-L60 VanDerWaalsContact CE1-CD1 3.48Å; Y56-L60 HydrophobicContact CE1-CG 4.05Å; Y56-L60 WeakPolarHBondContact O-CG 3.41Å; Y56-L60 PolarHBondContact O-N 3.38Å
57	Y	73.5	Confident	74.1	Confident	105 Å²	105	81.2 Å²	81.2	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-67.7	-37.1	173.4	-72.1	-62.2	0	0	0	113	T53 E54 L60 K61 S182	T53-Y57 HydrophobicContact CG2-CD2 3.95Å; T53-Y57 HydrophobicContact CG2-CE2 3.49Å; T53-Y57 VanDerWaalsContact CG2-CE2 3.49Å; T53-Y57 WeakPolarHBondContact O-CD2 3.32Å; T53-Y57 PolarHBondContact O-N 3.29Å; E54-Y57 PolarHBondContact O-N 2.79Å; Y57-L60 HydrophobicContact CD1-CD1 4.35Å; Y57-L60 PolarHBondContact O-N 3.06Å; Y57-K61 VanDerWaalsContact O-CB 3.26Å; Y57-K61 WeakPolarHBondContact O-CB 3.2Å; Y57-K61 PolarHBondContact O-N 3.05Å; Y57-S182 PolarHBondContact OH-OG 3.36Å
58	R	75.8	Confident	73.5	Confident	121 Å²	121	81 Å²	81	46%	0.457	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-45.9	172.2	-70.5	165.9	178.3	-162.2	0.9	110.7	E54 E55 K61 Y62	E54-R58 VanDerWaalsContact CD-NE 3.34Å; E54-R58 VanDerWaalsContact O-CG 3.26Å; E54-R58 WeakPolarHBondContact O-CG 3.31Å; E54-R58 PolarHBondContact O-N 2.8Å; E54-R58 IonicContact OE1-CZ 2.77Å; E54-R58 IonicContact OE1-NE 2.75Å; E54-R58 PolarHBondContact OE1-NE 3.43Å; E54-R58 IonicContact OE1-NH2 3.57Å; E54-R58 PolarHBondContact OE1-NH2 3.33Å; E54-R58 IonicContact OE2-CZ 2.61Å; E54-R58 IonicContact OE2-NE 2.89Å; E54-R58 IonicContact OE2-NH2 3.92Å; E54-R58 PolarHBondContact OE2-NH2 3.22Å; E55-R58 PolarHBondContact O-N 2.9Å; E55-R58 IonicContact OE1-CZ 3.8Å; E55-R58 IonicContact OE1-NE 3.05Å; E55-R58 IonicContact OE1-NH1 2.68Å; E55-R58 PolarHBondContact OE1-NH1 2.91Å; R58-K61 PolarHBondContact O-N 2.99Å; R58-Y62 WeakPolarHBondContact O-CB 3.23Å; R58-Y62 PolarHBondContact O-N 3.37Å
59	Y	77	Confident	72.7	Confident	38 Å²	38	82.3 Å²	82.3	15%	0.149	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-49.7	174.3	168.9	-100.8	0	0	0	112.6	Y16 M20 F24 E55 Y56 K61 Y62 I63	Y16-Y59 HydrophobicContact CE1-CD2 4.44Å; Y16-Y59 HydrophobicContact CE1-CE2 4.48Å; M20-Y59 HydrophobicContact CB-CD2 3.92Å; M20-Y59 HydrophobicContact CB-CE2 3.54Å; M20-Y59 HydrophobicContact CE-CD2 4.23Å; M20-Y59 HydrophobicContact CG-CD2 3.8Å; M20-Y59 HydrophobicContact CG-CE2 3.71Å; F24-Y59 AromaticContact CE2-CD1 3.91Å; F24-Y59 HydrophobicContact CE2-CD1 3.91Å; F24-Y59 HydrophobicContact CE2-CD2 4.43Å; F24-Y59 AromaticContact CE2-CG 3.84Å; F24-Y59 HydrophobicContact CE2-CG 3.84Å; F24-Y59 HydrophobicContact CZ-CG 4.38Å; E55-Y59 WeakPolarHBondContact O-CB 2.97Å; E55-Y59 PolarHBondContact O-N 2.94Å; Y56-Y59 PolarHBondContact O-N 3.42Å; Y59-K61 VanDerWaalsContact C-N 3.33Å; Y59-K61 PolarHBondContact O-N 3.01Å; Y59-Y62 WeakPolarHBondContact O-CB 3.34Å; Y59-Y62 PolarHBondContact O-N 2.93Å; Y59-Y62 VanDerWaalsContact O-N 3.12Å; Y59-I63 HydrophobicContact CD1-CG1 4.48Å; Y59-I63 HydrophobicContact CD2-CG1 4.03Å; Y59-I63 HydrophobicContact CE1-CG1 4.07Å; Y59-I63 HydrophobicContact CE2-CD1 3.84Å; Y59-I63 HydrophobicContact CE2-CG1 3.58Å; Y59-I63 HydrophobicContact CG-CG1 4.47Å; Y59-I63 WeakPolarHBondContact O-CG1 3.26Å; Y59-I63 PolarHBondContact O-N 3.45Å
60	L	72.6	Confident	71.7	Confident	59 Å²	59	81 Å²	81	31%	0.309	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-44.6	177.4	-75.4	-179.6	0	0	0	111.9	Y56 Y57 Y62 I63 Q64	Y56-L60 HydrophobicContact CD1-CD1 3.99Å; Y56-L60 HydrophobicContact CD1-CG 4.42Å; Y56-L60 HydrophobicContact CE1-CD1 3.48Å; Y56-L60 VanDerWaalsContact CE1-CD1 3.48Å; Y56-L60 HydrophobicContact CE1-CG 4.05Å; Y56-L60 WeakPolarHBondContact O-CG 3.41Å; Y56-L60 PolarHBondContact O-N 3.38Å; Y57-L60 HydrophobicContact CD1-CD1 4.35Å; Y57-L60 PolarHBondContact O-N 3.06Å; L60-Y62 VanDerWaalsContact C-N 3.31Å; L60-Y62 PolarHBondContact O-N 2.9Å; L60-I63 PolarHBondContact O-N 2.79Å; L60-Q64 WeakPolarHBondContact O-CB 3.39Å; L60-Q64 VanDerWaalsContact O-CG 3.31Å; L60-Q64 WeakPolarHBondContact O-CG 3.26Å; L60-Q64 PolarHBondContact O-N 2.89Å
61	K	75.4	Confident	70.4	Confident	158 Å²	158	81.1 Å²	81.1	69%	0.687	37%	0.369	S	S	*	.	H	α-helix	trans	-64.4	-35	177.2	-167.2	170.5	-172.5	169.7	0	112	Y57 R58 Y59 R65	Y57-K61 VanDerWaalsContact O-CB 3.26Å; Y57-K61 WeakPolarHBondContact O-CB 3.2Å; Y57-K61 PolarHBondContact O-N 3.05Å; R58-K61 PolarHBondContact O-N 2.99Å; Y59-K61 VanDerWaalsContact C-N 3.33Å; Y59-K61 PolarHBondContact O-N 3.01Å; K61-R65 WeakPolarHBondContact O-CB 3.32Å; K61-R65 PolarHBondContact O-N 2.82Å
62	Y	69.2	Low	68.5	Low	48 Å²	48	83 Å²	83	19%	0.188	38%	0.381	C	S	.	.	H	α-helix	trans	-69.8	-45.2	173.7	179.7	-105.3	0	0	0	112.8	Y16 R58 Y59 L60 Q64 R65 L66 Y117 Y121	Y16-Y62 HydrophobicContact CD1-CE1 4.43Å; Y16-Y62 HydrophobicContact CE1-CD1 4.27Å; Y16-Y62 HydrophobicContact CE1-CE1 4.14Å; R58-Y62 WeakPolarHBondContact O-CB 3.23Å; R58-Y62 PolarHBondContact O-N 3.37Å; Y59-Y62 WeakPolarHBondContact O-CB 3.34Å; Y59-Y62 PolarHBondContact O-N 2.93Å; Y59-Y62 VanDerWaalsContact O-N 3.12Å; L60-Y62 VanDerWaalsContact C-N 3.31Å; L60-Y62 PolarHBondContact O-N 2.9Å; Y62-Q64 PolarHBondContact O-N 3.31Å; Y62-R65 CarbonylContact O-C 3.56Å; Y62-R65 WeakPolarHBondContact O-CA 3.35Å; Y62-R65 WeakPolarHBondContact O-CB 3.25Å; Y62-R65 PolarHBondContact O-N 3.12Å; Y62-L66 HydrophobicContact CD1-CD1 4.08Å; Y62-L66 HydrophobicContact CD1-CG 4.39Å; Y62-L66 HydrophobicContact CE1-CD1 3.37Å; Y62-L66 HydrophobicContact CE1-CG 3.84Å; Y62-L66 HydrophobicContact CE2-CD2 4.48Å; Y62-L66 HydrophobicContact CE2-CG 4.3Å; Y62-L66 PolarHBondContact O-N 3.21Å; Y62-Y117 HydrophobicContact CE2-CE1 4.37Å; Y62-Y121 WeakPolarHBondContact CE1-OH 3.33Å; Y62-Y121 PolarHBondContact OH-OH 2.64Å
63	I	70.1	Confident	66.5	Low	10 Å²	10	83.8 Å²	83.8	5%	0.051	40%	0.395	C	S	.	.	H	α-helix	trans	-64	-39.9	176.1	-66.9	-63.2	0	0	0	111.2	E17 Y59 L60 R65 L66 R67	E17-I63 HydrophobicContact CG-CD1 3.87Å; Y59-I63 HydrophobicContact CD1-CG1 4.48Å; Y59-I63 HydrophobicContact CD2-CG1 4.03Å; Y59-I63 HydrophobicContact CE1-CG1 4.07Å; Y59-I63 HydrophobicContact CE2-CD1 3.84Å; Y59-I63 HydrophobicContact CE2-CG1 3.58Å; Y59-I63 HydrophobicContact CG-CG1 4.47Å; Y59-I63 WeakPolarHBondContact O-CG1 3.26Å; Y59-I63 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 2.79Å; I63-R65 VanDerWaalsContact C-N 3.33Å; I63-R65 PolarHBondContact O-N 2.85Å; I63-L66 HydrophobicContact CD1-CD1 4.44Å; I63-L66 PolarHBondContact O-N 3.3Å; I63-R67 WeakPolarHBondContact O-CB 3.39Å; I63-R67 VanDerWaalsContact O-CG 3.29Å; I63-R67 WeakPolarHBondContact O-CG 3.36Å; I63-R67 PolarHBondContact O-N 3.1Å
64	Q	70.1	Confident	64.6	Low	135 Å²	135	86.8 Å²	86.8	63%	0.631	42%	0.416	S	S	*	.	H	α-helix	trans	-59.1	-43.4	169.3	-75.2	176.4	-1.7	0	0	111.3	L60 Y62 R67 S68	L60-Q64 WeakPolarHBondContact O-CB 3.39Å; L60-Q64 VanDerWaalsContact O-CG 3.31Å; L60-Q64 WeakPolarHBondContact O-CG 3.26Å; L60-Q64 PolarHBondContact O-N 2.89Å; Y62-Q64 PolarHBondContact O-N 3.31Å; Q64-R67 PolarHBondContact O-N 2.81Å; Q64-S68 PolarHBondContact O-N 3.36Å
65	R	72.1	Confident	62.5	Low	161 Å²	161	88.6 Å²	88.6	61%	0.608	43%	0.429	S	S	*	.	H	α-helix	trans	-63	-44.6	176.8	-163.9	174.6	-171.8	171.6	3.4	112.1	K61 Y62 I63 R67 S68 M69	K61-R65 WeakPolarHBondContact O-CB 3.32Å; K61-R65 PolarHBondContact O-N 2.82Å; Y62-R65 CarbonylContact O-C 3.56Å; Y62-R65 WeakPolarHBondContact O-CA 3.35Å; Y62-R65 WeakPolarHBondContact O-CB 3.25Å; Y62-R65 PolarHBondContact O-N 3.12Å; I63-R65 VanDerWaalsContact C-N 3.33Å; I63-R65 PolarHBondContact O-N 2.85Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-R67 PolarHBondContact O-N 3.49Å; R65-S68 WeakPolarHBondContact CA-OG 3.48Å; R65-S68 PolarHBondContact O-N 3.46Å; R65-S68 PolarHBondContact O-OG 3.1Å; R65-M69 HydrophobicContact CG-SD 4.27Å; R65-M69 WeakPolarHBondContact O-CG 3.35Å; R65-M69 PolarHBondContact O-N 3.36Å
66	L	63.6	Low	60.5	Low	29 Å²	29	92.7 Å²	92.7	15%	0.152	45%	0.45	C	S	.	.	H	α-helix	trans	-60.4	-40.5	173.4	-74.7	-178	0	0	0	112.5	I13 Y62 I63 S68 M69 T70	I13-L66 HydrophobicContact CD1-CD1 4.26Å; I13-L66 HydrophobicContact CD1-CD2 4.44Å; I13-L66 HydrophobicContact CG1-CD1 4.08Å; I13-L66 HydrophobicContact CG2-CD1 4.17Å; Y62-L66 HydrophobicContact CD1-CD1 4.08Å; Y62-L66 HydrophobicContact CD1-CG 4.39Å; Y62-L66 HydrophobicContact CE1-CD1 3.37Å; Y62-L66 HydrophobicContact CE1-CG 3.84Å; Y62-L66 HydrophobicContact CE2-CD2 4.48Å; Y62-L66 HydrophobicContact CE2-CG 4.3Å; Y62-L66 PolarHBondContact O-N 3.21Å; I63-L66 HydrophobicContact CD1-CD1 4.44Å; I63-L66 PolarHBondContact O-N 3.3Å; L66-S68 VanDerWaalsContact C-N 3.34Å; L66-M69 PolarHBondContact O-N 2.99Å; L66-T70 PolarHBondContact O-N 3.43Å; L66-T70 PolarHBondContact O-OG1 3.2Å
67	R	66.1	Low	58.5	Low	150 Å²	150	92.8 Å²	92.8	57%	0.566	47%	0.466	S	S	*	.	H	α-helix	trans	-68.5	-30.7	176	-69.8	173.8	-170.9	173.5	7.8	112.5	E17 I63 Q64 R65 T70 T71	E17-R67 IonicContact OE1-CZ 2.91Å; E17-R67 IonicContact OE1-NH2 3.55Å; E17-R67 PolarHBondContact OE1-NH2 3.27Å; I63-R67 WeakPolarHBondContact O-CB 3.39Å; I63-R67 VanDerWaalsContact O-CG 3.29Å; I63-R67 WeakPolarHBondContact O-CG 3.36Å; I63-R67 PolarHBondContact O-N 3.1Å; Q64-R67 PolarHBondContact O-N 2.81Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-R67 PolarHBondContact O-N 3.49Å; R67-T70 VanDerWaalsContact CA-OG1 3.31Å; R67-T70 WeakPolarHBondContact CA-OG1 3.42Å; R67-T70 PolarHBondContact O-OG1 3.45Å; R67-T70 VanDerWaalsContact O-OG1 3.1Å; R67-T71 PolarHBondContact O-N 3.21Å; R67-T71 PolarHBondContact O-OG1 3.18Å
68	S	63.9	Low	56.6	Low	54 Å²	54	96.5 Å²	96.5	38%	0.378	49%	0.487	S	S	.	.	H	α-helix	trans	-72.3	-36.6	169.5	76.4	0	0	0	0	112.6	Q64 R65 L66 T71 M72	Q64-S68 PolarHBondContact O-N 3.36Å; R65-S68 WeakPolarHBondContact CA-OG 3.48Å; R65-S68 PolarHBondContact O-N 3.46Å; R65-S68 PolarHBondContact O-OG 3.1Å; L66-S68 VanDerWaalsContact C-N 3.34Å; S68-T71 WeakPolarHBondContact CA-OG1 3.3Å; S68-T71 PolarHBondContact O-N 3.4Å; S68-T71 PolarHBondContact O-OG1 2.86Å; S68-T71 VanDerWaalsContact O-OG1 3.07Å; S68-M72 VanDerWaalsContact O-CB 3.28Å; S68-M72 WeakPolarHBondContact O-CB 3.37Å; S68-M72 WeakPolarHBondContact O-CG 3.32Å; S68-M72 PolarHBondContact O-N 3.26Å
69	M	58.3	Low	54.5	Low	104 Å²	104	99.7 Å²	99.7	51%	0.512	51%	0.507	S	S	.	.	H	α-helix	trans	-74.8	-26.3	179	-71.1	177.2	67.1	0	0	113.2	R65 L66	R65-M69 HydrophobicContact CG-SD 4.27Å; R65-M69 WeakPolarHBondContact O-CG 3.35Å; R65-M69 PolarHBondContact O-N 3.36Å; L66-M69 PolarHBondContact O-N 2.99Å
70	T	54.9	Low	52.3	Low	62 Å²	62	104.2 Å²	104.2	38%	0.38	54%	0.538	S	S	.	.	H	α-helix	trans	-77.2	-28.7	171.9	36.6	0	0	0	0	113	L5 L66 R67	L5-T70 HydrophobicContact CD1-CG2 3.41Å; L5-T70 VanDerWaalsContact CD1-CG2 3.41Å; L66-T70 PolarHBondContact O-N 3.43Å; L66-T70 PolarHBondContact O-OG1 3.2Å; R67-T70 VanDerWaalsContact CA-OG1 3.31Å; R67-T70 WeakPolarHBondContact CA-OG1 3.42Å; R67-T70 PolarHBondContact O-OG1 3.45Å; R67-T70 VanDerWaalsContact O-OG1 3.1Å
71	T	48.8	Very low	50.4	Low	85 Å²	85	106.3 Å²	106.3	52%	0.521	56%	0.558	S	S	.	*	H	α-helix	trans	-82.5	-46.6	176.1	38.9	0	0	0	0	112.2	R67 S68 G73 C74	R67-T71 PolarHBondContact O-N 3.21Å; R67-T71 PolarHBondContact O-OG1 3.18Å; S68-T71 WeakPolarHBondContact CA-OG1 3.3Å; S68-T71 PolarHBondContact O-N 3.4Å; S68-T71 PolarHBondContact O-OG1 2.86Å; S68-T71 VanDerWaalsContact O-OG1 3.07Å; T71-G73 PolarHBondContact O-N 3.43Å; T71-C74 PolarHBondContact O-N 2.89Å; T71-C74 VanDerWaalsContact O-N 3.09Å
72	M	42.2	Very low	48.2	Very low	131 Å²	131	104.9 Å²	104.9	65%	0.645	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-3.8	176.5	-64.6	-78.8	-84.4	0	0	114.3	S68 I76	S68-M72 VanDerWaalsContact O-CB 3.28Å; S68-M72 WeakPolarHBondContact O-CB 3.37Å; S68-M72 WeakPolarHBondContact O-CG 3.32Å; S68-M72 PolarHBondContact O-N 3.26Å; M72-I76 WeakPolarHBondContact O-CD1 3.46Å
73	G	38.2	Very low	46.3	Very low	38 Å²	38	111.5 Å²	111.5	39%	0.392	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	-17.8	172.5	0	0	0	0	0	114.9	T71	T71-G73 PolarHBondContact O-N 3.43Å
74	C	34.6	Very low	44.4	Very low	102 Å²	102	116 Å²	116	69%	0.689	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-32.3	-176.5	-73	0	0	0	0	114.2	T71 I76	T71-C74 PolarHBondContact O-N 2.89Å; T71-C74 VanDerWaalsContact O-N 3.09Å; C74-I76 PolarHBondContact O-N 2.91Å
75	D	33.4	Very low	42.5	Very low	135 Å²	135	117.3 Å²	117.3	72%	0.722	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	12.9	-161	-59	-37.3	0	0	0	115.4
76	I	33.5	Very low	40.5	Very low	116 Å²	116	116.6 Å²	116.6	60%	0.595	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-4	-170.3	-63.4	177.8	0	0	0	113.2	M72 C74	M72-I76 WeakPolarHBondContact O-CD1 3.46Å; C74-I76 PolarHBondContact O-N 2.91Å
77	S	35.5	Very low	38.8	Very low	107 Å²	107	121.6 Å²	121.6	75%	0.748	68%	0.679	S	S	*	*	S	Bend	trans	-99.4	8.2	-165.8	-158.1	0	0	0	0	117.3
78	H	33.6	Very low	37.1	Very low	184 Å²	184	121.9 Å²	121.9	85%	0.852	69%	0.687	S	S	*	*	S	Bend	trans	-125.8	5	-171.1	-95.5	-76	0	0	0	117.4
79	Q	30.7	Very low	35.6	Very low	188 Å²	188	126 Å²	126	88%	0.879	71%	0.705	S	S	*	*			trans	-139.9	71.9	177.8	-70.4	-169.2	-7	0	0	113.9
80	V	31.5	Very low	34.2	Very low	132 Å²	132	127.2 Å²	127.2	80%	0.8	72%	0.719	S	S	*	*			trans	-143.3	119.5	157.5	178	0	0	0	0	109.1
81	S	32.1	Very low	33.4	Very low	104 Å²	104	130 Å²	130	73%	0.727	74%	0.738	S	S	*	*			trans	29.2	114.1	147.6	-58.3	0	0	0	0	118
82	V	29.3	Very low	32.5	Very low	128 Å²	128	131.3 Å²	131.3	78%	0.776	75%	0.75	S	S	*	*			cis	47.8	126.8	44.5	-175.2	0	0	0	0	112.2
83	E	29.4	Very low	31.9	Very low	186 Å²	186	133.6 Å²	133.6	87%	0.869	76%	0.757	S	S	*	*			trans	68.2	73.3	-178.4	-69.1	172	-168.3	0	0	116.6	N85	E83-N85 PolarHBondContact O-N 2.81Å; E83-N85 VanDerWaalsContact O-N 3.14Å
84	A	30.5	Very low	31.7	Very low	104 Å²	104	136.3 Å²	136.3	86%	0.86	77%	0.766	S	S	*	*			trans	-78.4	87.4	161.6	0	0	0	0	0	111.3
85	N	31.1	Very low	31.7	Very low	163 Å²	163	137.7 Å²	137.7	87%	0.872	76%	0.762	S	S	*	*			trans	23.2	119	159.5	-68.1	-49.2	0	0	0	119.7	E83	E83-N85 PolarHBondContact O-N 2.81Å; E83-N85 VanDerWaalsContact O-N 3.14Å
86	N	28.7	Very low	31.4	Very low	147 Å²	147	140.2 Å²	140.2	79%	0.786	76%	0.761	S	S	*	*			trans	-103.3	150.5	160	-149.3	-11.2	0	0	0	110.1
87	L	29.8	Very low	31.5	Very low	133 Å²	133	141.8 Å²	141.8	70%	0.696	77%	0.766	S	S	*	*			trans	59.1	99.9	164.3	-65.7	160.1	0	0	0	120.1
88	Q	30.1	Very low	31.2	Very low	156 Å²	156	142.2 Å²	142.2	73%	0.729	77%	0.765	S	S	*	*				13.2	120.9	125.8	-61.8	154.1	-64.1	0	0	118.9
89	N	31.8	Very low	31.3	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	76%	0.759	S	S	*	*				175.3	113.7	99.8	-89.5	-47	0	0	0	114.8
90	T	28.8	Very low	31.3	Very low	129 Å²	129	136.9 Å²	136.9	79%	0.791	75%	0.752	S	S	*	*			trans	43.5	152.3	133.7	43.3	0	0	0	0	124.4
91	P	37.6	Very low	31.6	Very low	120 Å²	120	136.3 Å²	136.3	78%	0.779	75%	0.754	S	S	*	*			trans	-130.8	172.1	-150.9	42.9	-26.7	0	0	0	116.6
92	S	30.3	Very low	31.6	Very low	113 Å²	113	139 Å²	139	79%	0.79	76%	0.759	S	S	*	*			trans	-174.5	161.7	150.9	52.9	0	0	0	0	108.8
93	F	30	Very low	31.5	Very low	179 Å²	179	138.6 Å²	138.6	79%	0.785	76%	0.759	S	S	*	*			cis	-153.5	124.5	10.7	-161.4	-123.6	0	0	0	111.1
94	V	33.3	Very low	31.4	Very low	95 Å²	95	137.5 Å²	137.5	58%	0.576	76%	0.759	S	S	*	*				60.4	137	128	163.8	0	0	0	0	119.2
95	Q	34.1	Very low	31.3	Very low	130 Å²	130	138.3 Å²	138.3	61%	0.607	76%	0.758	S	S	*	*			cis	-164	134.3	47.9	-163.3	142.8	-127.6	0	0	117.5
96	R	28.8	Very low	31.2	Very low	188 Å²	188	137.8 Å²	137.8	71%	0.709	76%	0.756	S	S	*	*			trans	61.1	149.4	152.2	-70.7	170.2	-144.1	-166.1	8.2	118.5
97	Q	34.7	Very low	31.1	Very low	150 Å²	150	136 Å²	136	70%	0.701	75%	0.75	S	S	*	*			cis	-154.1	127.1	2.2	-127.1	155.8	-31.9	0	0	112.1
98	T	29.3	Very low	31.1	Very low	116 Å²	116	134.9 Å²	134.9	71%	0.712	75%	0.749	S	S	*	*			trans	35	143.5	131.2	67.1	0	0	0	0	121.4
99	V	35.3	Very low	31.1	Very low	121 Å²	121	137.5 Å²	137.5	73%	0.733	75%	0.754	S	S	*	*			cis	-145.7	128.1	25.4	-179.5	0	0	0	0	112.9
100	D	31.3	Very low	31.2	Very low	138 Å²	138	132.4 Å²	132.4	74%	0.738	73%	0.729	S	S	*	*			trans	7.8	127.4	146.8	-40	-45.4	0	0	0	123.3
101	S	37.2	Very low	31.4	Very low	120 Å²	120	128.9 Å²	128.9	84%	0.839	71%	0.713	S	S	*	*				169	113.8	114.5	-74.4	0	0	0	0	113
102	I	32	Very low	31.8	Very low	160 Å²	160	126.4 Å²	126.4	82%	0.821	70%	0.699	S	S	*	*			trans	-145	141.3	-178.7	-59.1	175.4	0	0	0	110.7
103	P	26.6	Very low	32	Very low	121 Å²	121	123.7 Å²	123.7	79%	0.786	68%	0.683	S	S	*	*			trans	-136.6	130.5	132.2	35.3	-22.9	0	0	0	114
104	N	27.8	Very low	32.4	Very low	162 Å²	162	116.1 Å²	116.1	87%	0.866	65%	0.653	S	S	*	*			trans	15	113.8	163.5	-64.9	-7.7	0	0	0	120
105	S	29.8	Very low	33	Very low	121 Å²	121	114.2 Å²	114.2	85%	0.846	65%	0.647	S	S	*	*			trans	-143.7	143.4	149.1	55.6	0	0	0	0	111.4
106	N	27.2	Very low	33.5	Very low	153 Å²	153	111.9 Å²	111.9	82%	0.818	64%	0.639	S	S	*	*			trans	-85.4	163	178.2	-77	-42.6	0	0	0	111.4
107	T	27.7	Very low	34	Very low	108 Å²	108	107.6 Å²	107.6	66%	0.663	62%	0.624	S	S	*	*			trans	79.3	97.5	158.7	-31.7	0	0	0	0	116.9
108	T	30	Very low	34.8	Very low	111 Å²	111	102.7 Å²	102.7	68%	0.681	60%	0.604	S	S	*	*			trans	-154.3	-26.6	157.4	-23.1	0	0	0	0	114.4	S110 A111	T108-S110 PolarHBondContact O-N 3Å; T108-A111 WeakPolarHBondContact O-CB 3.42Å; T108-A111 PolarHBondContact O-N 3.31Å
109	Y	29.1	Very low	35.9	Very low	211 Å²	211	104.8 Å²	104.8	83%	0.827	60%	0.599	S	S	*	*	H	α-helix	trans	-63.5	-9.9	-177.4	-102.6	-84.6	0	0	0	115.8
110	S	33.4	Very low	36.5	Very low	35 Å²	35	105.1 Å²	105.1	25%	0.245	59%	0.588	C	S	.	*	H	α-helix	trans	-83.7	-12.3	172.2	57.9	0	0	0	0	114.3	K9 T108	K9-S110 PolarHBondContact NZ-O 3.47Å; T108-S110 PolarHBondContact O-N 3Å
111	A	33.9	Very low	37.1	Very low	55 Å²	55	100.3 Å²	100.3	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-91.4	-46.3	-177	0	0	0	0	0	113	T108 A114 A115	T108-A111 WeakPolarHBondContact O-CB 3.42Å; T108-A111 PolarHBondContact O-N 3.31Å; A111-A114 PolarHBondContact O-N 2.84Å; A111-A115 WeakPolarHBondContact O-CB 3.34Å; A111-A115 PolarHBondContact O-N 3.4Å
112	S	46	Very low	38.2	Very low	68 Å²	68	100.6 Å²	100.6	48%	0.476	55%	0.548	S	S	.	.	H	α-helix	trans	-58.7	-59.1	-177.7	-161.4	0	0	0	0	111.2	A114 A115 D116	S112-A114 CarbonylContact O-C 3.56Å; S112-A114 PolarHBondContact O-N 3.34Å; S112-A115 CarbonylContact O-C 3.57Å; S112-A115 WeakPolarHBondContact O-CA 3.44Å; S112-A115 PolarHBondContact O-N 3.48Å; S112-D116 WeakPolarHBondContact O-CB 3.46Å; S112-D116 VanDerWaalsContact O-CG 3.27Å; S112-D116 PolarHBondContact O-N 3.38Å; S112-D116 PolarHBondContact OG-OD2 2.9Å
113	A	35.6	Very low	39.5	Very low	55 Å²	55	97.8 Å²	97.8	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-55.4	-34.3	-177.1	0	0	0	0	0	113.4	Y117	A113-Y117 WeakPolarHBondContact O-CD2 3.46Å; A113-Y117 PolarHBondContact O-N 2.9Å; A113-Y117 VanDerWaalsContact O-N 3.11Å
114	A	37	Very low	40.4	Very low	20 Å²	20	94.3 Å²	94.3	17%	0.165	51%	0.508	C	S	.	.	H	α-helix	trans	-68	-53.7	172.2	0	0	0	0	0	111.3	A111 S112 D116 Y117 T118	A111-A114 PolarHBondContact O-N 2.84Å; S112-A114 CarbonylContact O-C 3.56Å; S112-A114 PolarHBondContact O-N 3.34Å; A114-D116 VanDerWaalsContact C-N 3.25Å; A114-D116 PolarHBondContact O-N 3.44Å; A114-Y117 CarbonylContact O-C 3.59Å; A114-Y117 WeakPolarHBondContact O-CA 3.49Å; A114-Y117 WeakPolarHBondContact O-CB 3.14Å; A114-Y117 PolarHBondContact O-N 3.24Å; A114-T118 PolarHBondContact O-N 3.4Å; A114-T118 PolarHBondContact O-OG1 2.99Å
115	A	47.2	Very low	41.7	Very low	55 Å²	55	91.8 Å²	91.8	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-31.4	177.7	0	0	0	0	0	113.4	A111 S112 R119	A111-A115 WeakPolarHBondContact O-CB 3.34Å; A111-A115 PolarHBondContact O-N 3.4Å; S112-A115 CarbonylContact O-C 3.57Å; S112-A115 WeakPolarHBondContact O-CA 3.44Å; S112-A115 PolarHBondContact O-N 3.48Å; A115-R119 WeakPolarHBondContact O-CB 3.26Å; A115-R119 PolarHBondContact O-N 2.94Å
116	D	42.7	Very low	43.2	Very low	81 Å²	81	88.6 Å²	88.6	43%	0.433	47%	0.471	S	S	.	.	H	α-helix	trans	-70.7	-39.5	174.6	-68	-51	0	0	0	110.9	S112 A114 Y120	S112-D116 WeakPolarHBondContact O-CB 3.46Å; S112-D116 VanDerWaalsContact O-CG 3.27Å; S112-D116 PolarHBondContact O-N 3.38Å; S112-D116 PolarHBondContact OG-OD2 2.9Å; A114-D116 VanDerWaalsContact C-N 3.25Å; A114-D116 PolarHBondContact O-N 3.44Å; D116-Y120 VanDerWaalsContact O-CB 3.26Å; D116-Y120 WeakPolarHBondContact O-CB 3.36Å; D116-Y120 PolarHBondContact O-N 2.95Å
117	Y	39.6	Very low	44.4	Very low	99 Å²	99	87.4 Å²	87.4	39%	0.388	46%	0.456	S	S	.	.	H	α-helix	trans	-65.7	-48.5	167.5	-80.6	-60.7	0	0	0	111.8	Y62 A113 A114 R119 Y120 Y121	Y62-Y117 HydrophobicContact CE2-CE1 4.37Å; A113-Y117 WeakPolarHBondContact O-CD2 3.46Å; A113-Y117 PolarHBondContact O-N 2.9Å; A113-Y117 VanDerWaalsContact O-N 3.11Å; A114-Y117 CarbonylContact O-C 3.59Å; A114-Y117 WeakPolarHBondContact O-CA 3.49Å; A114-Y117 WeakPolarHBondContact O-CB 3.14Å; A114-Y117 PolarHBondContact O-N 3.24Å; Y117-R119 VanDerWaalsContact C-N 3.27Å; Y117-R119 PolarHBondContact O-N 3.08Å; Y117-Y120 CarbonylContact O-C 3.55Å; Y117-Y120 WeakPolarHBondContact O-CB 3.27Å; Y117-Y120 PolarHBondContact O-N 3.35Å; Y117-Y120 VanDerWaalsContact O-N 3.16Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.21Å; Y117-Y121 PolarHBondContact O-N 3.03Å
118	T	52.3	Low	45	Very low	46 Å²	46	83.8 Å²	83.8	28%	0.282	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-37.7	178	-44.1	0	0	0	0	111.3	E12 A114 Y121 Q122	E12-T118 PolarHBondContact OE1-OG1 3.09Å; A114-T118 PolarHBondContact O-N 3.4Å; A114-T118 PolarHBondContact O-OG1 2.99Å; T118-Y121 PolarHBondContact O-N 3.24Å; T118-Q122 WeakPolarHBondContact O-CB 3.19Å; T118-Q122 VanDerWaalsContact O-CG 3.26Å; T118-Q122 WeakPolarHBondContact O-CG 3.5Å; T118-Q122 PolarHBondContact O-N 2.97Å
119	R	52.8	Low	46.2	Very low	161 Å²	161	80.1 Å²	80.1	61%	0.608	42%	0.416	S	S	*	.	H	α-helix	trans	-71.3	-38.8	174.9	-174.8	-179.6	-174.5	-168.1	2.4	112.1	A115 Y117 Y121 Q122 N123	A115-R119 WeakPolarHBondContact O-CB 3.26Å; A115-R119 PolarHBondContact O-N 2.94Å; Y117-R119 VanDerWaalsContact C-N 3.27Å; Y117-R119 PolarHBondContact O-N 3.08Å; R119-Y121 VanDerWaalsContact C-N 3.32Å; R119-Q122 PolarHBondContact O-N 3.46Å; R119-N123 VanDerWaalsContact O-CB 3.32Å; R119-N123 WeakPolarHBondContact O-CB 3.47Å; R119-N123 PolarHBondContact O-N 2.87Å; R119-N123 PolarHBondContact O-ND2 3.08Å
120	Y	47	Very low	48	Very low	127 Å²	127	76.4 Å²	76.4	50%	0.498	40%	0.404	S	S	.	.	H	α-helix	trans	-61.4	-41.8	170.3	177.1	-100.2	0	0	0	111.2	D116 Y117 N123 M124	D116-Y120 VanDerWaalsContact O-CB 3.26Å; D116-Y120 WeakPolarHBondContact O-CB 3.36Å; D116-Y120 PolarHBondContact O-N 2.95Å; Y117-Y120 CarbonylContact O-C 3.55Å; Y117-Y120 WeakPolarHBondContact O-CB 3.27Å; Y117-Y120 PolarHBondContact O-N 3.35Å; Y117-Y120 VanDerWaalsContact O-N 3.16Å; Y120-N123 PolarHBondContact O-N 3.38Å; Y120-M124 HydrophobicContact CD1-CG 4.31Å; Y120-M124 HydrophobicContact CE1-CG 3.91Å; Y120-M124 HydrophobicContact CE2-CG 4.3Å; Y120-M124 WeakPolarHBondContact O-CB 3.29Å; Y120-M124 WeakPolarHBondContact O-CG 3.35Å; Y120-M124 PolarHBondContact O-N 2.67Å
121	Y	45.2	Very low	48.8	Very low	38 Å²	38	76.4 Å²	76.4	15%	0.149	40%	0.401	C	S	.	.	H	α-helix	trans	-68.5	-40.6	174.7	-70	-51.5	0	0	0	113.2	Y16 Y62 Y117 T118 R119 N123 M124 I125	Y16-Y121 HydrophobicContact CE1-CE1 4.33Å; Y16-Y121 AromaticContact CE2-CD1 3.85Å; Y16-Y121 HydrophobicContact CE2-CD1 3.85Å; Y16-Y121 AromaticContact CE2-CE1 3.7Å; Y16-Y121 HydrophobicContact CE2-CE1 3.7Å; Y16-Y121 HydrophobicContact CE2-CG 4.39Å; Y16-Y121 AromaticContact CZ-CE1 3.52Å; Y16-Y121 AromaticContact CZ-CZ 3.88Å; Y16-Y121 VanDerWaalsContact OH-CE1 3.31Å; Y16-Y121 WeakPolarHBondContact OH-CE1 3.45Å; Y62-Y121 WeakPolarHBondContact CE1-OH 3.33Å; Y62-Y121 PolarHBondContact OH-OH 2.64Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.21Å; Y117-Y121 PolarHBondContact O-N 3.03Å; T118-Y121 PolarHBondContact O-N 3.24Å; R119-Y121 VanDerWaalsContact C-N 3.32Å; Y121-N123 VanDerWaalsContact C-N 3.31Å; Y121-N123 PolarHBondContact O-N 3.47Å; Y121-M124 PolarHBondContact O-N 2.77Å; Y121-I125 WeakPolarHBondContact O-CB 3.41Å; Y121-I125 VanDerWaalsContact O-CG1 3.23Å; Y121-I125 WeakPolarHBondContact O-CG1 3.48Å; Y121-I125 PolarHBondContact O-N 3.27Å
122	Q	59.7	Low	49.4	Very low	126 Å²	126	76.4 Å²	76.4	59%	0.589	39%	0.393	S	S	*	.	H	α-helix	trans	-62.5	-38.3	172.1	-75.3	170	-2.9	0	0	111.6	T118 R119 S126	T118-Q122 WeakPolarHBondContact O-CB 3.19Å; T118-Q122 VanDerWaalsContact O-CG 3.26Å; T118-Q122 WeakPolarHBondContact O-CG 3.5Å; T118-Q122 PolarHBondContact O-N 2.97Å; R119-Q122 PolarHBondContact O-N 3.46Å; Q122-S126 WeakPolarHBondContact O-CB 3.4Å; Q122-S126 PolarHBondContact O-N 3.46Å
123	N	57.9	Low	50.3	Low	100 Å²	100	78 Å²	78	54%	0.535	39%	0.393	S	S	.	.	H	α-helix	trans	-66.6	-41.3	173.1	-72	-17.9	0	0	0	111.9	R119 Y120 Y121 S126 Y127	R119-N123 VanDerWaalsContact O-CB 3.32Å; R119-N123 WeakPolarHBondContact O-CB 3.47Å; R119-N123 PolarHBondContact O-N 2.87Å; R119-N123 PolarHBondContact O-ND2 3.08Å; Y120-N123 PolarHBondContact O-N 3.38Å; Y121-N123 VanDerWaalsContact C-N 3.31Å; Y121-N123 PolarHBondContact O-N 3.47Å; N123-S126 PolarHBondContact O-N 3.22Å; N123-Y127 WeakPolarHBondContact O-CB 3.31Å; N123-Y127 PolarHBondContact O-N 3.39Å
124	M	46.7	Very low	51.4	Low	49 Å²	49	77.3 Å²	77.3	24%	0.241	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-44	175.9	-78.4	-77.8	-84.5	0	0	112	Y120 Y121 Y127 F128	Y120-M124 HydrophobicContact CD1-CG 4.31Å; Y120-M124 HydrophobicContact CE1-CG 3.91Å; Y120-M124 HydrophobicContact CE2-CG 4.3Å; Y120-M124 WeakPolarHBondContact O-CB 3.29Å; Y120-M124 WeakPolarHBondContact O-CG 3.35Å; Y120-M124 PolarHBondContact O-N 2.67Å; Y121-M124 PolarHBondContact O-N 2.77Å; M124-Y127 PolarHBondContact O-N 2.8Å; M124-F128 HydrophobicContact CE-CE2 3.75Å; M124-F128 WeakPolarHBondContact O-CB 3.48Å; M124-F128 VanDerWaalsContact O-CD2 3.27Å; M124-F128 WeakPolarHBondContact O-CD2 3.35Å; M124-F128 PolarHBondContact O-N 2.79Å; M124-F128 HydrophobicContact SD-CE2 4.3Å
125	I	55.5	Low	52.1	Low	109 Å²	109	80 Å²	80	56%	0.559	40%	0.399	S	S	*	.	H	α-helix	trans	-65.8	-39.2	175.2	-67.5	164.9	0	0	0	110.3	Y121 G129	Y121-I125 WeakPolarHBondContact O-CB 3.41Å; Y121-I125 VanDerWaalsContact O-CG1 3.23Å; Y121-I125 WeakPolarHBondContact O-CG1 3.48Å; Y121-I125 PolarHBondContact O-N 3.27Å; I125-G129 WeakPolarHBondContact O-CA 3.26Å; I125-G129 PolarHBondContact O-N 3.38Å
126	S	60.8	Low	52.1	Low	53 Å²	53	83.2 Å²	83.2	37%	0.371	40%	0.404	S	S	.	.	H	α-helix	trans	-69.2	-34.9	173.6	-171.7	0	0	0	0	112.4	Q122 N123 K130	Q122-S126 WeakPolarHBondContact O-CB 3.4Å; Q122-S126 PolarHBondContact O-N 3.46Å; N123-S126 PolarHBondContact O-N 3.22Å; S126-K130 VanDerWaalsContact O-CB 3.32Å; S126-K130 WeakPolarHBondContact O-CB 3.36Å; S126-K130 VanDerWaalsContact O-CG 3.23Å; S126-K130 WeakPolarHBondContact O-CG 3.47Å; S126-K130 PolarHBondContact O-N 2.91Å
127	Y	53.1	Low	52.4	Low	129 Å²	129	86 Å²	86	51%	0.506	42%	0.415	S	S	.	.	H	α-helix	trans	-67.9	-49.3	174.4	172.7	-103	0	0	0	111.4	N123 M124 K130 L131	N123-Y127 WeakPolarHBondContact O-CB 3.31Å; N123-Y127 PolarHBondContact O-N 3.39Å; M124-Y127 PolarHBondContact O-N 2.8Å; Y127-K130 CarbonylContact O-C 3.56Å; Y127-K130 PolarHBondContact O-N 3.08Å; Y127-L131 VanDerWaalsContact O-CB 3.31Å; Y127-L131 WeakPolarHBondContact O-CB 3.31Å; Y127-L131 PolarHBondContact O-N 3.06Å
128	F	38.7	Very low	52.4	Low	31 Å²	31	87.2 Å²	87.2	14%	0.136	43%	0.428	C	S	.	.	H	α-helix	trans	-69.3	-31.7	176	-77.3	-61.4	0	0	0	112.9	E55 M124 L131 L132	E55-F128 HydrophobicContact CG-CZ 4.44Å; M124-F128 HydrophobicContact CE-CE2 3.75Å; M124-F128 WeakPolarHBondContact O-CB 3.48Å; M124-F128 VanDerWaalsContact O-CD2 3.27Å; M124-F128 WeakPolarHBondContact O-CD2 3.35Å; M124-F128 PolarHBondContact O-N 2.79Å; M124-F128 HydrophobicContact SD-CE2 4.3Å; F128-L131 HydrophobicContact CD1-CD2 4.02Å; F128-L131 HydrophobicContact CE1-CD2 4.3Å; F128-L131 PolarHBondContact O-N 3.15Å; F128-L132 WeakPolarHBondContact O-CD1 3.33Å; F128-L132 PolarHBondContact O-N 3.41Å
129	G	56.3	Low	51.6	Low	35 Å²	35	91 Å²	91	36%	0.361	45%	0.446	S	S	.	.	H	α-helix	trans	-60.3	-54.1	169.6	0	0	0	0	0	110.7	I125 L131 L132 E133	I125-G129 WeakPolarHBondContact O-CA 3.26Å; I125-G129 PolarHBondContact O-N 3.38Å; G129-L131 PolarHBondContact O-N 2.71Å; G129-L132 PolarHBondContact O-N 3.42Å; G129-E133 WeakPolarHBondContact O-CB 3.42Å; G129-E133 PolarHBondContact O-N 2.95Å
130	K	65.6	Low	50.7	Low	132 Å²	132	88.6 Å²	88.6	57%	0.574	45%	0.452	S	S	*	.	H	α-helix	trans	-62.1	-29	173.1	-72.4	170.6	-171.7	173.2	0	113.1	S126 Y127 S134	S126-K130 VanDerWaalsContact O-CB 3.32Å; S126-K130 WeakPolarHBondContact O-CB 3.36Å; S126-K130 VanDerWaalsContact O-CG 3.23Å; S126-K130 WeakPolarHBondContact O-CG 3.47Å; S126-K130 PolarHBondContact O-N 2.91Å; Y127-K130 CarbonylContact O-C 3.56Å; Y127-K130 PolarHBondContact O-N 3.08Å; K130-S134 WeakPolarHBondContact O-CB 3.37Å; K130-S134 PolarHBondContact O-N 3.21Å; K130-S134 PolarHBondContact O-OG 3.39Å
131	L	50.5	Low	50.2	Low	36 Å²	36	91.2 Å²	91.2	19%	0.188	47%	0.469	C	S	.	.	H	α-helix	trans	-70.6	-48.3	175.2	-164.8	76.8	0	0	0	110.5	Y127 F128 G129 S134 V135	Y127-L131 VanDerWaalsContact O-CB 3.31Å; Y127-L131 WeakPolarHBondContact O-CB 3.31Å; Y127-L131 PolarHBondContact O-N 3.06Å; F128-L131 HydrophobicContact CD1-CD2 4.02Å; F128-L131 HydrophobicContact CE1-CD2 4.3Å; F128-L131 PolarHBondContact O-N 3.15Å; G129-L131 PolarHBondContact O-N 2.71Å; L131-S134 WeakPolarHBondContact CA-OG 3.49Å; L131-S134 PolarHBondContact O-N 3.36Å; L131-S134 PolarHBondContact O-OG 3.43Å; L131-V135 WeakPolarHBondContact O-CB 3.36Å; L131-V135 VanDerWaalsContact O-CG2 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 2.76Å
132	L	47.9	Very low	49.5	Very low	54 Å²	54	95.7 Å²	95.7	28%	0.283	50%	0.504	S	S	.	.	H	α-helix	trans	-59.2	-48	172.2	-98.9	105	0	0	0	111.3	Y27 F128 G129 S134 V135 Q136	Y27-L132 HydrophobicContact CE2-CD1 4.31Å; F128-L132 WeakPolarHBondContact O-CD1 3.33Å; F128-L132 PolarHBondContact O-N 3.41Å; G129-L132 PolarHBondContact O-N 3.42Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.28Å; L132-V135 CarbonylContact O-C 3.6Å; L132-V135 WeakPolarHBondContact O-CA 3.48Å; L132-V135 PolarHBondContact O-N 2.93Å; L132-Q136 WeakPolarHBondContact O-CB 3.49Å; L132-Q136 VanDerWaalsContact O-CG 3.31Å; L132-Q136 WeakPolarHBondContact O-CG 3.16Å; L132-Q136 PolarHBondContact O-N 2.9Å; L132-Q136 PolarHBondContact O-OE1 3.04Å
133	E	64.8	Low	48.1	Very low	103 Å²	103	97.5 Å²	97.5	48%	0.481	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-37.7	179.9	-169.9	166.8	-135.4	0	0	110.8	G129 Q136 Q137	G129-E133 WeakPolarHBondContact O-CB 3.42Å; G129-E133 PolarHBondContact O-N 2.95Å; E133-Q136 CarbonylContact O-C 3.51Å; E133-Q136 PolarHBondContact O-N 3.42Å; E133-Q137 VanDerWaalsContact O-CB 3.26Å; E133-Q137 WeakPolarHBondContact O-CB 3.5Å; E133-Q137 WeakPolarHBondContact O-CG 3.26Å; E133-Q137 PolarHBondContact O-N 2.91Å
134	S	59	Low	46.7	Very low	40 Å²	40	101.3 Å²	101.3	28%	0.28	53%	0.532	S	S	.	.	H	α-helix	trans	-69.9	-31.3	170	75.3	0	0	0	0	113.2	K130 L131 L132 Q136 N138	K130-S134 WeakPolarHBondContact O-CB 3.37Å; K130-S134 PolarHBondContact O-N 3.21Å; K130-S134 PolarHBondContact O-OG 3.39Å; L131-S134 WeakPolarHBondContact CA-OG 3.49Å; L131-S134 PolarHBondContact O-N 3.36Å; L131-S134 PolarHBondContact O-OG 3.43Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.28Å; S134-Q136 VanDerWaalsContact C-N 3.29Å; S134-N138 WeakPolarHBondContact O-CB 3.36Å; S134-N138 PolarHBondContact O-N 3.41Å; S134-N138 PolarHBondContact O-ND2 2.92Å
135	V	50.5	Low	46	Very low	76 Å²	76	104.2 Å²	104.2	46%	0.461	56%	0.558	S	S	.	*	H	α-helix	trans	-75.1	-22.2	174.1	167.2	0	0	0	0	111.3	L131 L132	L131-V135 WeakPolarHBondContact O-CB 3.36Å; L131-V135 VanDerWaalsContact O-CG2 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 2.76Å; L132-V135 CarbonylContact O-C 3.6Å; L132-V135 WeakPolarHBondContact O-CA 3.48Å; L132-V135 PolarHBondContact O-N 2.93Å
136	Q	47.5	Very low	44.9	Very low	122 Å²	122	103.3 Å²	103.3	57%	0.57	56%	0.561	S	S	*	*	H	α-helix	trans	-90.5	-22.3	172.9	-68.4	172	-63.3	0	0	113.1	L132 E133 S134	L132-Q136 WeakPolarHBondContact O-CB 3.49Å; L132-Q136 VanDerWaalsContact O-CG 3.31Å; L132-Q136 WeakPolarHBondContact O-CG 3.16Å; L132-Q136 PolarHBondContact O-N 2.9Å; L132-Q136 PolarHBondContact O-OE1 3.04Å; E133-Q136 CarbonylContact O-C 3.51Å; E133-Q136 PolarHBondContact O-N 3.42Å; S134-Q136 VanDerWaalsContact C-N 3.29Å
137	Q	49.5	Very low	43.7	Very low	141 Å²	141	108.1 Å²	108.1	66%	0.659	58%	0.583	S	S	*	*	H	α-helix	trans	-94.2	-14.5	174.1	-70.3	171.4	5.8	0	0	112.7	E133 D139	E133-Q137 VanDerWaalsContact O-CB 3.26Å; E133-Q137 WeakPolarHBondContact O-CB 3.5Å; E133-Q137 WeakPolarHBondContact O-CG 3.26Å; E133-Q137 PolarHBondContact O-N 2.91Å; Q137-D139 VanDerWaalsContact C-N 3.29Å
138	N	38.6	Very low	43	Very low	123 Å²	123	110.4 Å²	110.4	66%	0.658	60%	0.598	S	S	*	*	S	Bend	trans	-94	25.3	165.7	-66.3	-45.4	0	0	0	112.1	S134 P140	S134-N138 WeakPolarHBondContact O-CB 3.36Å; S134-N138 PolarHBondContact O-N 3.41Å; S134-N138 PolarHBondContact O-ND2 2.92Å; N138-P140 WeakPolarHBondContact O-CD 3.29Å
139	D	36.5	Very low	42.9	Very low	125 Å²	125	116.4 Å²	116.4	67%	0.668	63%	0.626	S	S	*	*			trans	-86.6	90.3	152	-86.7	-40.7	0	0	0	107.9	Q137 E141	Q137-D139 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 3.21Å
140	P	34.3	Very low	42	Very low	111 Å²	111	119.3 Å²	119.3	72%	0.721	63%	0.634	S	S	*	*			trans	-68.2	124.8	166.2	29.8	-33.7	0	0	0	109.4	N138	N138-P140 WeakPolarHBondContact O-CD 3.29Å
141	E	35.7	Very low	40.6	Very low	183 Å²	183	122.4 Å²	122.4	86%	0.855	64%	0.641	S	S	*	*	S	Bend	trans	68.7	76.4	159.1	-58	-179.9	179.1	0	0	117.3	D139	D139-E141 PolarHBondContact O-N 3.21Å
142	C	29.7	Very low	39.9	Very low	132 Å²	132	126.5 Å²	126.5	89%	0.892	66%	0.664	S	S	*	*				-138.4	44.7	122	-157.6	0	0	0	0	112.3
143	N	30.8	Very low	39.4	Very low	163 Å²	163	133.3 Å²	133.3	87%	0.872	69%	0.691	S	S	*	*			trans	-63.1	148.3	165.8	-94.2	-28.8	0	0	0	110.4
144	E	29.2	Very low	38.1	Very low	180 Å²	180	134.9 Å²	134.9	84%	0.841	70%	0.698	S	S	*	*			trans	-78.1	155.4	-173	-57.6	179.3	122.5	0	0	113.5
145	S	31.7	Very low	37.1	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	72%	0.717	S	S	*	*			trans	81.5	138.8	154.9	73.2	0	0	0	0	121.9
146	S	32.8	Very low	36.4	Very low	90 Å²	90	143.5 Å²	143.5	63%	0.629	73%	0.73	S	S	*	*			trans	61.4	104.2	154.8	52.7	0	0	0	0	121.7
147	D	35.4	Very low	35.9	Very low	154 Å²	154	147 Å²	147	82%	0.824	74%	0.743	S	S	*	*				74.1	123.4	114.2	-50.1	-25.8	0	0	0	123.2
148	E	37.5	Very low	35.3	Very low	177 Å²	177	146.6 Å²	146.6	83%	0.827	75%	0.753	S	S	*	*			trans	65.9	113.1	148.1	-61.7	-152.9	151.7	0	0	124
149	E	38.2	Very low	34.9	Very low	157 Å²	157	144.5 Å²	144.5	73%	0.734	76%	0.761	S	S	*	*				67	130.3	124.4	-70.2	-134.7	123.2	0	0	124.8
150	N	36.2	Very low	34.8	Very low	96 Å²	96	141.9 Å²	141.9	51%	0.513	76%	0.763	S	S	.	*			trans	77.9	103.8	136.8	-80.9	-54.6	0	0	0	122.5
151	R	35.6	Very low	34.8	Very low	196 Å²	196	143 Å²	143	74%	0.74	77%	0.768	S	S	*	*				93.5	116.2	122.3	-69.5	179.5	-161.3	-154.2	3.2	123.4
152	D	36.4	Very low	34.8	Very low	123 Å²	123	140.1 Å²	140.1	66%	0.658	76%	0.763	S	S	*	*				67.3	131.8	119.9	-50.9	-19.7	0	0	0	122.5
153	K	38.2	Very low	35.1	Very low	196 Å²	196	140 Å²	140	85%	0.852	75%	0.753	S	S	*	*			trans	91.9	149.1	159.2	-61.4	154.9	-172.7	166.4	0	116.9
154	E	36.9	Very low	35.4	Very low	136 Å²	136	139.9 Å²	139.9	64%	0.636	75%	0.747	S	S	*	*			cis	-178	149.8	-30.4	-140.6	-164.5	158.9	0	0	107.2
155	K	37	Very low	35.9	Very low	157 Å²	157	137.4 Å²	137.4	68%	0.683	74%	0.739	S	S	*	*			trans	66.7	160.3	159.3	-69.8	160.4	179.1	146.4	0	116.3
156	I	36.8	Very low	36	Very low	141 Å²	141	139.3 Å²	139.3	72%	0.723	74%	0.741	S	S	*	*			cis	-151.9	138.7	3.9	-128.7	157.2	0	0	0	113.1
157	K	36.4	Very low	36.1	Very low	195 Å²	195	139.2 Å²	139.2	85%	0.848	74%	0.74	S	S	*	*			trans	40.6	156	150.2	-68.4	-172.4	174.1	-172.5	0	125.9
158	P	38.4	Very low	36.2	Very low	132 Å²	132	140.3 Å²	140.3	86%	0.857	74%	0.74	S	S	*	*			trans	-117	-176.5	178.9	45	-35.3	0	0	0	115.7
159	G	29.9	Very low	36	Very low	80 Å²	80	138 Å²	138	83%	0.825	73%	0.734	S	S	*	*			trans	157.2	135.9	148.8	0	0	0	0	0	120.4
160	G	33.7	Very low	35.7	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	74%	0.743	S	S	*	*			trans	91.2	158.3	151.2	0	0	0	0	0	119.9
161	T	33.6	Very low	35.4	Very low	135 Å²	135	138.4 Å²	138.4	83%	0.828	75%	0.753	S	S	*	*			cis	-174.8	-179.5	-25.6	4.1	0	0	0	0	110
162	V	36.7	Very low	35.2	Very low	122 Å²	122	135.5 Å²	135.5	74%	0.739	76%	0.757	S	S	*	*			trans	87.5	138.9	162.6	-168.7	0	0	0	0	117.6
163	D	35.5	Very low	34.9	Very low	130 Å²	130	134.8 Å²	134.8	70%	0.695	76%	0.762	S	S	*	*			cis	-171.4	177.2	-39.9	-91.3	-36.2	0	0	0	110.3
164	H	38.2	Very low	34.6	Very low	159 Å²	159	133.6 Å²	133.6	74%	0.736	76%	0.763	S	S	*	*			trans	87.5	105.9	164.5	-67.7	-54.2	0	0	0	121.6
165	D	37.8	Very low	34.4	Very low	128 Å²	128	135.1 Å²	135.1	68%	0.684	77%	0.77	S	S	*	*				48	146.4	106.2	-45.1	-28.7	0	0	0	120.5
166	N	35.1	Very low	34	Very low	151 Å²	151	137 Å²	137	81%	0.807	78%	0.778	S	S	*	*			cis	-155.4	173.2	21.3	-143.8	-26.7	0	0	0	113.6
167	S	34.8	Very low	33.7	Very low	88 Å²	88	137.5 Å²	137.5	62%	0.615	79%	0.787	S	S	*	*			trans	-82.4	156.2	-176.3	59.6	0	0	0	0	115.7
168	Q	37.4	Very low	33.4	Very low	177 Å²	177	133.2 Å²	133.2	83%	0.827	78%	0.782	S	S	*	*				-174.4	164.5	102.9	-105.7	-173.2	-70.2	0	0	115.7
169	D	33.3	Very low	33.1	Very low	130 Å²	130	131.8 Å²	131.8	70%	0.695	78%	0.775	S	S	*	*			trans	-73.8	155.2	-167.8	-39	-91.4	0	0	0	115.2
170	N	32.1	Very low	33.2	Very low	172 Å²	172	137.2 Å²	137.2	92%	0.92	78%	0.779	S	S	*	*				-165.8	161.8	115.3	-104.7	-72.4	0	0	0	111.6
171	A	29.9	Very low	33.3	Very low	88 Å²	88	141 Å²	141	73%	0.727	78%	0.783	S	S	*	*			trans	-120.4	-170.8	-164.7	0	0	0	0	0	114.1
172	V	32	Very low	33.4	Very low	135 Å²	135	138.3 Å²	138.3	82%	0.818	77%	0.77	S	S	*	*			trans	92.4	91.1	172.1	-169.3	0	0	0	0	116.4
173	S	28.9	Very low	33.7	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	77%	0.772	S	S	*	*				41.4	120.7	127.3	-46.5	0	0	0	0	121.2
174	I	32.3	Very low	33.9	Very low	172 Å²	172	141.3 Å²	141.3	88%	0.882	78%	0.775	S	S	*	*				-156.2	159.2	123.6	-102.9	153.8	0	0	0	110.6
175	E	32.1	Very low	33.9	Very low	167 Å²	167	139.4 Å²	139.4	78%	0.78	77%	0.769	S	S	*	*			trans	-75.6	155	-152.9	-55.5	173.3	107.3	0	0	117.9
176	K	29	Very low	34.2	Very low	196 Å²	196	137.4 Å²	137.4	85%	0.852	76%	0.759	S	S	*	*			trans	34.5	104.2	149.3	-71.3	-178.7	173.7	178.5	0	119.1
177	V	29.8	Very low	34.2	Very low	152 Å²	152	135.1 Å²	135.1	92%	0.921	75%	0.752	S	S	*	*			trans	-109.1	111.3	147.1	178.6	0	0	0	0	107.9
178	S	31.8	Very low	34.3	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	75%	0.748	S	S	*	*			trans	-93	111.9	-177.8	51.4	0	0	0	0	111.7
179	S	31.5	Very low	34.4	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	73%	0.731	S	S	*	*			trans	-29.9	123	173.5	50.9	0	0	0	0	117	N181	S179-N181 PolarHBondContact O-N 2.95Å
180	E	32	Very low	35.2	Very low	195 Å²	195	126.2 Å²	126.2	91%	0.911	71%	0.714	S	S	*	*			trans	-84.6	98.8	165.6	-63.1	-179.5	140.8	0	0	110.3
181	N	35	Very low	35.7	Very low	148 Å²	148	119.7 Å²	119.7	79%	0.791	68%	0.681	S	S	*	*			trans	-106	104.8	166.4	-80	-14.4	0	0	0	108.6	S179 E183	S179-N181 PolarHBondContact O-N 2.95Å; N181-E183 PolarHBondContact O-N 3.43Å
182	S	37.3	Very low	36.5	Very low	80 Å²	80	119.1 Å²	119.1	56%	0.559	67%	0.665	S	S	*	*			trans	-86.9	110	-179.1	55.4	0	0	0	0	111.9	Y57	Y57-S182 PolarHBondContact OH-OG 3.36Å
183	E	42.1	Very low	37.7	Very low	169 Å²	169	114.6 Å²	114.6	79%	0.79	64%	0.642	S	S	*	*			trans	-65.7	150.2	170.8	-62.2	-176.2	122.6	0	0	111.7	N181 L185	N181-E183 PolarHBondContact O-N 3.43Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 HydrophobicContact CB-CD1 4.22Å; E183-L185 PolarHBondContact O-N 3.09Å
184	I	39.3	Very low	38.6	Very low	145 Å²	145	110.9 Å²	110.9	74%	0.744	62%	0.615	S	S	*	*			trans	-79.9	82.4	178	-56.2	176.4	0	0	0	108.5
185	L	38.5	Very low	39.4	Very low	119 Å²	119	105.3 Å²	105.3	62%	0.623	59%	0.586	S	S	*	*			trans	-63.5	135.9	172.3	-87	79	0	0	0	110.6	E183	E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 HydrophobicContact CB-CD1 4.22Å; E183-L185 PolarHBondContact O-N 3.09Å
186	D	43.2	Very low	40.7	Very low	87 Å²	87	103.4 Å²	103.4	47%	0.465	58%	0.575	S	S	.	*			trans	-57	132.7	170	177.2	9.7	0	0	0	110.2	C188 S189	D186-C188 VanDerWaalsContact CG-N 3.34Å; D186-C188 PolarHBondContact O-N 3.45Å; D186-C188 VanDerWaalsContact O-N 3.09Å; D186-C188 WeakPolarHBondContact OD1-CB 3.45Å; D186-C188 PolarHBondContact OD1-N 2.56Å; D186-C188 VanDerWaalsContact OD2-CB 3.32Å; D186-C188 WeakPolarHBondContact OD2-CB 3.43Å; D186-S189 WeakPolarHBondContact O-CA 3.46Å; D186-S189 WeakPolarHBondContact O-CB 3.19Å; D186-S189 PolarHBondContact O-N 3.27Å
187	P	36.2	Very low	42.1	Very low	103 Å²	103	97.8 Å²	97.8	67%	0.669	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-53.5	-26.1	168.2	-27	35.8	0	0	0	112.9	S189	P187-S189 PolarHBondContact O-N 3.27Å
188	C	35.5	Very low	43.3	Very low	77 Å²	77	90.6 Å²	90.6	52%	0.52	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-83.8	33.4	167.5	-68.4	0	0	0	0	113.9	D186 W227	D186-C188 VanDerWaalsContact CG-N 3.34Å; D186-C188 PolarHBondContact O-N 3.45Å; D186-C188 VanDerWaalsContact O-N 3.09Å; D186-C188 WeakPolarHBondContact OD1-CB 3.45Å; D186-C188 PolarHBondContact OD1-N 2.56Å; D186-C188 VanDerWaalsContact OD2-CB 3.32Å; D186-C188 WeakPolarHBondContact OD2-CB 3.43Å; C188-W227 VanDerWaalsContact CA-CZ2 3.41Å; C188-W227 HydrophobicContact CB-CZ2 3.8Å; C188-W227 WeakPolarHBondContact O-CZ2 3.44Å
189	S	39.7	Very low	44.6	Very low	70 Å²	70	88.3 Å²	88.3	49%	0.49	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-134.9	-4.7	168.6	-68.3	0	0	0	0	114.5	D186 P187 P191	D186-S189 WeakPolarHBondContact O-CA 3.46Å; D186-S189 WeakPolarHBondContact O-CB 3.19Å; D186-S189 PolarHBondContact O-N 3.27Å; P187-S189 PolarHBondContact O-N 3.27Å; S189-P191 WeakPolarHBondContact O-CD 3.43Å
190	D	50.8	Low	46.1	Very low	61 Å²	61	89.5 Å²	89.5	33%	0.326	48%	0.483	S	S	.	.			trans	-99.6	114.6	174.1	175.4	27.5	0	0	0	112.1	N192 A193 V194	D190-N192 PolarHBondContact O-N 3.42Å; D190-N192 WeakPolarHBondContact OD1-CB 3.4Å; D190-N192 PolarHBondContact OD1-N 3.05Å; D190-N192 PolarHBondContact OD1-ND2 2.93Å; D190-N192 WeakPolarHBondContact OD2-CB 3.17Å; D190-A193 HydrophobicContact CB-CB 4.07Å; D190-A193 PolarHBondContact O-N 2.89Å; D190-A193 PolarHBondContact OD2-N 3.46Å; D190-V194 PolarHBondContact O-N 2.96Å
191	P	42	Very low	47.3	Very low	34 Å²	34	86.3 Å²	86.3	22%	0.221	46%	0.463	C	S	.	.	H	α-helix	trans	-57.9	-29.7	172.8	-22.9	32.9	0	0	0	113.9	S189 M195 I230 L234	S189-P191 WeakPolarHBondContact O-CD 3.43Å; P191-M195 WeakPolarHBondContact O-CG 3.44Å; P191-M195 PolarHBondContact O-N 3.09Å; P191-I230 HydrophobicContact CG-CG2 4.27Å; P191-L234 HydrophobicContact CB-CD1 3.79Å; P191-L234 HydrophobicContact CG-CD1 3.42Å; P191-L234 VanDerWaalsContact CG-CD1 3.42Å
192	N	48	Very low	48.3	Very low	76 Å²	76	85.5 Å²	85.5	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-71.8	-39.3	-179.1	-55	-83.5	0	0	0	111.3	D190 V194 M195 K196	D190-N192 PolarHBondContact O-N 3.42Å; D190-N192 WeakPolarHBondContact OD1-CB 3.4Å; D190-N192 PolarHBondContact OD1-N 3.05Å; D190-N192 PolarHBondContact OD1-ND2 2.93Å; D190-N192 WeakPolarHBondContact OD2-CB 3.17Å; N192-V194 VanDerWaalsContact C-N 3.34Å; N192-V194 PolarHBondContact O-N 2.86Å; N192-M195 PolarHBondContact O-N 3.24Å; N192-K196 VanDerWaalsContact O-CB 3.24Å; N192-K196 WeakPolarHBondContact O-CB 3.08Å; N192-K196 PolarHBondContact O-N 3.39Å
193	A	55.6	Low	49.2	Very low	40 Å²	40	83.3 Å²	83.3	33%	0.331	43%	0.433	S	S	.	.	H	α-helix	trans	-57.5	-43.9	173.2	0	0	0	0	0	112.2	D190 K196 E197	D190-A193 HydrophobicContact CB-CB 4.07Å; D190-A193 PolarHBondContact O-N 2.89Å; D190-A193 PolarHBondContact OD2-N 3.46Å; A193-K196 PolarHBondContact O-N 3.28Å; A193-E197 WeakPolarHBondContact O-CB 3.36Å; A193-E197 PolarHBondContact O-N 3.19Å
194	V	47.9	Very low	49.7	Very low	30 Å²	30	83.5 Å²	83.5	18%	0.182	43%	0.431	C	S	.	.	H	α-helix	trans	-73.2	-41.1	179.4	167.4	0	0	0	0	112.7	D190 N192 K196 E197 Y198 Y216 I220 W227	D190-V194 PolarHBondContact O-N 2.96Å; N192-V194 VanDerWaalsContact C-N 3.34Å; N192-V194 PolarHBondContact O-N 2.86Å; V194-K196 VanDerWaalsContact C-N 3.29Å; V194-K196 PolarHBondContact O-N 2.95Å; V194-E197 PolarHBondContact O-N 3.01Å; V194-Y198 PolarHBondContact O-N 3.31Å; V194-Y216 WeakPolarHBondContact CG1-OH 3.39Å; V194-Y216 PolarHBondContact O-OH 3.19Å; V194-I220 HydrophobicContact CG1-CD1 4.26Å; V194-W227 HydrophobicContact CB-CE3 4.36Å; V194-W227 HydrophobicContact CB-CH2 4.28Å; V194-W227 HydrophobicContact CB-CZ3 3.71Å; V194-W227 HydrophobicContact CG1-CE3 4.45Å; V194-W227 HydrophobicContact CG1-CZ3 4.26Å; V194-W227 HydrophobicContact CG2-CE3 4.1Å; V194-W227 HydrophobicContact CG2-CH2 3.34Å; V194-W227 HydrophobicContact CG2-CZ2 4.28Å; V194-W227 HydrophobicContact CG2-CZ3 3.26Å
195	M	50.4	Low	50.1	Low	55 Å²	55	82.1 Å²	82.1	27%	0.271	44%	0.441	S	S	.	.	H	α-helix	trans	-59.7	-42.3	171	-74.5	-172	-68.2	0	0	111.5	P191 N192 Y198 F199	P191-M195 WeakPolarHBondContact O-CG 3.44Å; P191-M195 PolarHBondContact O-N 3.09Å; N192-M195 PolarHBondContact O-N 3.24Å; M195-Y198 WeakPolarHBondContact O-CB 3.35Å; M195-Y198 PolarHBondContact O-N 3.36Å; M195-F199 WeakPolarHBondContact O-CD2 3.44Å; M195-F199 PolarHBondContact O-N 3.06Å
196	K	59.9	Low	50.7	Low	127 Å²	127	79.7 Å²	79.7	55%	0.552	45%	0.445	S	S	*	.	H	α-helix	trans	-62.7	-43.4	176	-177.8	175.3	177.9	178.8	0	111.7	N192 A193 V194 Y198 F199 D200	N192-K196 VanDerWaalsContact O-CB 3.24Å; N192-K196 WeakPolarHBondContact O-CB 3.08Å; N192-K196 PolarHBondContact O-N 3.39Å; A193-K196 PolarHBondContact O-N 3.28Å; V194-K196 VanDerWaalsContact C-N 3.29Å; V194-K196 PolarHBondContact O-N 2.95Å; K196-Y198 VanDerWaalsContact C-N 3.26Å; K196-Y198 PolarHBondContact O-N 3Å; K196-F199 PolarHBondContact O-N 3.26Å; K196-D200 WeakPolarHBondContact CE-OD2 3.26Å; K196-D200 WeakPolarHBondContact O-CB 3.34Å; K196-D200 PolarHBondContact O-N 2.75Å
197	E	58.6	Low	51.2	Low	78 Å²	78	81.6 Å²	81.6	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-59.4	-36.5	175.7	179.9	168.1	-108	0	0	112.4	A193 V194 R201	A193-E197 WeakPolarHBondContact O-CB 3.36Å; A193-E197 PolarHBondContact O-N 3.19Å; V194-E197 PolarHBondContact O-N 3.01Å; E197-R201 VanDerWaalsContact CD-NE 3.33Å; E197-R201 HydrophobicContact CG-CG 4.16Å; E197-R201 VanDerWaalsContact CG-NE 3.27Å; E197-R201 WeakPolarHBondContact O-CB 3.43Å; E197-R201 WeakPolarHBondContact O-CG 3.43Å; E197-R201 PolarHBondContact O-N 2.92Å; E197-R201 VanDerWaalsContact O-N 3.07Å; E197-R201 IonicContact OE1-CZ 2.62Å; E197-R201 IonicContact OE1-NE 2.8Å; E197-R201 PolarHBondContact OE1-NE 3.42Å; E197-R201 IonicContact OE1-NH2 2.87Å; E197-R201 PolarHBondContact OE1-NH2 3.02Å; E197-R201 IonicContact OE2-CZ 3.68Å; E197-R201 IonicContact OE2-NE 2.77Å; E197-R201 IonicContact OE2-NH2 3.72Å; E197-R201 PolarHBondContact OE2-NH2 2.94Å
198	Y	54.6	Low	52	Low	2 Å²	2	79.7 Å²	79.7	1%	0.008	43%	0.434	C	S	.	.	H	α-helix	trans	-61.6	-53.5	172.8	176.1	-102.7	0	0	0	112.3	V194 M195 K196 D200 R201 Y202 V203 S212 W213 Y216	V194-Y198 PolarHBondContact O-N 3.31Å; M195-Y198 WeakPolarHBondContact O-CB 3.35Å; M195-Y198 PolarHBondContact O-N 3.36Å; K196-Y198 VanDerWaalsContact C-N 3.26Å; K196-Y198 PolarHBondContact O-N 3Å; Y198-D200 PolarHBondContact O-N 2.61Å; Y198-R201 PolarHBondContact O-N 3.19Å; Y198-Y202 AromaticContact CD2-CD2 3.49Å; Y198-Y202 HydrophobicContact CD2-CD2 3.49Å; Y198-Y202 VanDerWaalsContact CD2-CD2 3.49Å; Y198-Y202 HydrophobicContact CD2-CE2 4.28Å; Y198-Y202 HydrophobicContact CD2-CG 4.1Å; Y198-Y202 AromaticContact CE2-CD2 3.8Å; Y198-Y202 HydrophobicContact CE2-CD2 3.8Å; Y198-Y202 AromaticContact CE2-CG 3.93Å; Y198-Y202 HydrophobicContact CE2-CG 3.93Å; Y198-Y202 HydrophobicContact CG-CD2 4.37Å; Y198-Y202 WeakPolarHBondContact O-CD2 3.23Å; Y198-Y202 PolarHBondContact O-N 3.28Å; Y198-V203 HydrophobicContact CE1-CG2 3.81Å; Y198-S212 PolarHBondContact OH-OG 3.01Å; Y198-S212 VanDerWaalsContact OH-OG 3.06Å; Y198-W213 AromaticContact CD1-CE3 3.7Å; Y198-W213 HydrophobicContact CD1-CE3 3.7Å; Y198-W213 AromaticContact CD1-CZ3 3.62Å; Y198-W213 HydrophobicContact CD1-CZ3 3.62Å; Y198-W213 AromaticContact CE1-CE3 3.48Å; Y198-W213 HydrophobicContact CE1-CE3 3.48Å; Y198-W213 VanDerWaalsContact CE1-CE3 3.48Å; Y198-W213 AromaticContact CE1-CZ3 3.92Å; Y198-W213 HydrophobicContact CE1-CZ3 3.92Å; Y198-W213 HydrophobicContact CE2-CE3 4.43Å; Y198-W213 HydrophobicContact CG-CE3 4.27Å; Y198-W213 HydrophobicContact CG-CZ3 4.06Å; Y198-W213 AromaticContact CZ-CE3 3.87Å; Y198-W213 PolarHBondContact OH-N 3.41Å; Y198-Y216 AromaticContact CD2-CD1 3.43Å; Y198-Y216 HydrophobicContact CD2-CD1 3.43Å; Y198-Y216 VanDerWaalsContact CD2-CD1 3.43Å; Y198-Y216 AromaticContact CD2-CD2 3.54Å; Y198-Y216 HydrophobicContact CD2-CD2 3.54Å; Y198-Y216 AromaticContact CD2-CE1 3.8Å; Y198-Y216 HydrophobicContact CD2-CE1 3.8Å; Y198-Y216 AromaticContact CD2-CE2 3.9Å; Y198-Y216 HydrophobicContact CD2-CE2 3.9Å; Y198-Y216 AromaticContact CD2-CG 3.27Å; Y198-Y216 HydrophobicContact CD2-CG 3.27Å; Y198-Y216 HydrophobicContact CE2-CD1 4.01Å; Y198-Y216 HydrophobicContact CE2-CD2 4.16Å; Y198-Y216 AromaticContact CE2-CG 3.65Å; Y198-Y216 HydrophobicContact CE2-CG 3.65Å; Y198-Y216 AromaticContact CG-CD1 3.77Å; Y198-Y216 HydrophobicContact CG-CD1 3.77Å; Y198-Y216 HydrophobicContact CG-CD2 4.45Å; Y198-Y216 AromaticContact CG-CE1 3.8Å; Y198-Y216 HydrophobicContact CG-CE1 3.8Å; Y198-Y216 HydrophobicContact CG-CE2 4.48Å; Y198-Y216 HydrophobicContact CG-CG 4.1Å
199	F	57.5	Low	53.4	Low	58 Å²	58	79.2 Å²	79.2	25%	0.254	43%	0.427	S	S	.	.	H	α-helix	trans	-65.3	-40.9	-177.5	-70.2	-68.3	0	0	0	111.9	M195 K196 R201 V203 V330	M195-F199 WeakPolarHBondContact O-CD2 3.44Å; M195-F199 PolarHBondContact O-N 3.06Å; K196-F199 PolarHBondContact O-N 3.26Å; F199-R201 VanDerWaalsContact C-N 3.29Å; F199-R201 PolarHBondContact O-N 3.13Å; F199-V203 HydrophobicContact CD1-CB 4.06Å; F199-V203 HydrophobicContact CD1-CG2 3.74Å; F199-V203 HydrophobicContact CE1-CG2 4.21Å; F199-V203 PolarHBondContact O-N 2.91Å; F199-V330 HydrophobicContact CD2-CG2 3.87Å; F199-V330 HydrophobicContact CE2-CG2 4.15Å; F199-V330 HydrophobicContact CG-CG2 4.28Å
200	D	63.3	Low	54.6	Low	125 Å²	125	78 Å²	78	67%	0.668	41%	0.411	S	S	*	.	H	α-helix	trans	-66.8	-24.8	176.9	-75.1	-7.2	0	0	0	113	K196 Y198	K196-D200 WeakPolarHBondContact CE-OD2 3.26Å; K196-D200 WeakPolarHBondContact O-CB 3.34Å; K196-D200 PolarHBondContact O-N 2.75Å; Y198-D200 PolarHBondContact O-N 2.61Å
201	R	58.8	Low	55.2	Low	129 Å²	129	77 Å²	77	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-95.8	-41.4	179.9	-73.4	-179.6	-179.2	-163	4.8	114.7	E197 Y198 F199	E197-R201 VanDerWaalsContact CD-NE 3.33Å; E197-R201 HydrophobicContact CG-CG 4.16Å; E197-R201 VanDerWaalsContact CG-NE 3.27Å; E197-R201 WeakPolarHBondContact O-CB 3.43Å; E197-R201 WeakPolarHBondContact O-CG 3.43Å; E197-R201 PolarHBondContact O-N 2.92Å; E197-R201 VanDerWaalsContact O-N 3.07Å; E197-R201 IonicContact OE1-CZ 2.62Å; E197-R201 IonicContact OE1-NE 2.8Å; E197-R201 PolarHBondContact OE1-NE 3.42Å; E197-R201 IonicContact OE1-NH2 2.87Å; E197-R201 PolarHBondContact OE1-NH2 3.02Å; E197-R201 IonicContact OE2-CZ 3.68Å; E197-R201 IonicContact OE2-NE 2.77Å; E197-R201 IonicContact OE2-NH2 3.72Å; E197-R201 PolarHBondContact OE2-NH2 2.94Å; Y198-R201 PolarHBondContact O-N 3.19Å; F199-R201 VanDerWaalsContact C-N 3.29Å; F199-R201 PolarHBondContact O-N 3.13Å
202	Y	54.4	Low	56.3	Low	131 Å²	131	76.9 Å²	76.9	51%	0.514	41%	0.412	S	S	.	.	H	α-helix	trans	-113.4	-25.5	-164	-63.3	-77.8	0	0	0	114.5	Y198	Y198-Y202 AromaticContact CD2-CD2 3.49Å; Y198-Y202 HydrophobicContact CD2-CD2 3.49Å; Y198-Y202 VanDerWaalsContact CD2-CD2 3.49Å; Y198-Y202 HydrophobicContact CD2-CE2 4.28Å; Y198-Y202 HydrophobicContact CD2-CG 4.1Å; Y198-Y202 AromaticContact CE2-CD2 3.8Å; Y198-Y202 HydrophobicContact CE2-CD2 3.8Å; Y198-Y202 AromaticContact CE2-CG 3.93Å; Y198-Y202 HydrophobicContact CE2-CG 3.93Å; Y198-Y202 HydrophobicContact CG-CD2 4.37Å; Y198-Y202 WeakPolarHBondContact O-CD2 3.23Å; Y198-Y202 PolarHBondContact O-N 3.28Å
203	V	56	Low	57.3	Low	33 Å²	33	73.8 Å²	73.8	20%	0.2	40%	0.395	C	S	.	.			trans	-102	98	-177.5	-179	0	0	0	0	110.1	Y198 F199 W208	Y198-V203 HydrophobicContact CE1-CG2 3.81Å; F199-V203 HydrophobicContact CD1-CB 4.06Å; F199-V203 HydrophobicContact CD1-CG2 3.74Å; F199-V203 HydrophobicContact CE1-CG2 4.21Å; F199-V203 PolarHBondContact O-N 2.91Å; V203-W208 HydrophobicContact CG1-CB 4.48Å
204	K	54.4	Low	57.8	Low	173 Å²	173	75.1 Å²	75.1	75%	0.752	40%	0.396	S	S	*	.			trans	-61.5	142.7	161	-71.9	-178.9	-179.6	174.8	0	108.7	G206 D207	K204-G206 PolarHBondContact O-N 2.96Å; K204-D207 PolarHBondContact O-N 2.78Å
205	A	47.4	Very low	58.5	Low	117 Å²	117	76.8 Å²	76.8	97%	0.967	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	96.8	-170.5	0	0	0	0	0	113.2
206	G	50	Low	59.3	Low	67 Å²	67	75 Å²	75	69%	0.691	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.5	-41.1	-179.3	0	0	0	0	0	113.3	K204 W208	K204-G206 PolarHBondContact O-N 2.96Å; G206-W208 PolarHBondContact O-N 2.93Å
207	D	53.4	Low	59.7	Low	127 Å²	127	69.6 Å²	69.6	68%	0.679	37%	0.372	S	S	*	.			trans	-98.4	72.8	-165.4	-62.7	-36	0	0	0	112.3	K204	K204-D207 PolarHBondContact O-N 2.78Å
208	W	53.3	Low	60.2	Low	63 Å²	63	68.3 Å²	68.3	24%	0.239	37%	0.371	C	S	.	.			trans	-87.6	122.6	162.7	177.5	83	0	0	0	109.9	V203 G206 W210 W213 M245 W249	V203-W208 HydrophobicContact CG1-CB 4.48Å; G206-W208 PolarHBondContact O-N 2.93Å; W208-W210 AromaticContact CH2-CE3 3.78Å; W208-W210 HydrophobicContact CH2-CE3 3.78Å; W208-W210 HydrophobicContact CH2-CZ3 4.49Å; W208-W210 AromaticContact CZ2-CE3 3.9Å; W208-W210 HydrophobicContact CZ2-CE3 3.9Å; W208-W210 HydrophobicContact CZ2-CZ3 4.48Å; W208-W213 HydrophobicContact CZ2-CB 4.33Å; W208-W213 HydrophobicContact CZ2-CG 4.3Å; W208-M245 HydrophobicContact CH2-CE 3.73Å; W208-M245 HydrophobicContact CZ2-CE 3.86Å; W208-W249 AromaticContact CZ3-CD1 3.65Å; W208-W249 HydrophobicContact CZ3-CG 4.11Å; W208-W249 AromaticContact CZ3-NE1 3.87Å
209	D	65.2	Low	61	Low	68 Å²	68	74 Å²	74	36%	0.364	39%	0.392	S	S	.	.			trans	-120.6	148.9	173.3	87.6	88.4	0	0	0	111.6	A211 S212 W213	D209-A211 VanDerWaalsContact C-N 3.32Å; D209-A211 PolarHBondContact O-N 3.14Å; D209-A211 VanDerWaalsContact OD1-CA 3.31Å; D209-A211 WeakPolarHBondContact OD1-CA 3.35Å; D209-A211 VanDerWaalsContact OD1-CB 3.29Å; D209-A211 WeakPolarHBondContact OD1-CB 3.47Å; D209-A211 PolarHBondContact OD1-N 3.01Å; D209-S212 PolarHBondContact O-OG 2.84Å; D209-S212 PolarHBondContact OD1-N 3.08Å; D209-S212 WeakPolarHBondContact OD2-CB 3.26Å; D209-S212 PolarHBondContact OD2-OG 3.15Å; D209-W213 PolarHBondContact O-N 3.39Å
210	W	64.7	Low	61.3	Low	43 Å²	43	71.8 Å²	71.8	16%	0.163	38%	0.384	C	S	.	.	H	α-helix	trans	-68.1	-28.6	-177.3	179	-107.5	0	0	0	113.5	W208 W213 N214 W242 M245 Y246 W249	W208-W210 AromaticContact CH2-CE3 3.78Å; W208-W210 HydrophobicContact CH2-CE3 3.78Å; W208-W210 HydrophobicContact CH2-CZ3 4.49Å; W208-W210 AromaticContact CZ2-CE3 3.9Å; W208-W210 HydrophobicContact CZ2-CE3 3.9Å; W208-W210 HydrophobicContact CZ2-CZ3 4.48Å; W210-W213 AromaticContact CE3-CD1 3.94Å; W210-W213 AromaticContact CZ3-CD1 3.74Å; W210-N214 VanDerWaalsContact O-CB 3.27Å; W210-N214 WeakPolarHBondContact O-CB 3.32Å; W210-N214 PolarHBondContact O-N 2.97Å; W210-W242 HydrophobicContact CH2-CB 4.37Å; W210-W242 HydrophobicContact CZ3-CE3 4.48Å; W210-M245 HydrophobicContact CE3-CE 4.49Å; W210-M245 HydrophobicContact CZ3-CE 3.95Å; W210-Y246 AromaticContact CD1-CD2 3.61Å; W210-Y246 AromaticContact CD1-CE2 3.49Å; W210-Y246 VanDerWaalsContact CD1-CE2 3.49Å; W210-Y246 AromaticContact CD2-CD2 3.77Å; W210-Y246 HydrophobicContact CD2-CD2 3.77Å; W210-Y246 HydrophobicContact CD2-CE2 4.43Å; W210-Y246 AromaticContact CE2-CD2 3.44Å; W210-Y246 VanDerWaalsContact CE2-CD2 3.44Å; W210-Y246 AromaticContact CG-CD2 3.86Å; W210-Y246 HydrophobicContact CG-CD2 3.86Å; W210-Y246 HydrophobicContact CG-CE2 4.08Å; W210-Y246 AromaticContact CZ2-CD2 3.98Å; W210-Y246 HydrophobicContact CZ2-CD2 3.98Å; W210-Y246 HydrophobicContact CZ2-CG 4.08Å; W210-Y246 AromaticContact NE1-CD2 3.34Å; W210-Y246 VanDerWaalsContact NE1-CD2 3.34Å; W210-Y246 AromaticContact NE1-CE2 3.47Å; W210-W249 HydrophobicContact CB-CD2 4.34Å; W210-W249 HydrophobicContact CB-CE3 4.04Å; W210-W249 HydrophobicContact CB-CH2 4.02Å; W210-W249 HydrophobicContact CB-CZ2 4.3Å; W210-W249 HydrophobicContact CB-CZ3 3.88Å; W210-W249 HydrophobicContact CG-CE3 4.48Å; W210-W249 HydrophobicContact CG-CZ3 4.45Å
211	A	63.5	Low	61.7	Low	41 Å²	41	67.6 Å²	67.6	34%	0.339	37%	0.366	S	S	.	.	H	α-helix	trans	-76.4	-40.7	-176.5	0	0	0	0	0	111.7	D209 W213 N214 N215	D209-A211 VanDerWaalsContact C-N 3.32Å; D209-A211 PolarHBondContact O-N 3.14Å; D209-A211 VanDerWaalsContact OD1-CA 3.31Å; D209-A211 WeakPolarHBondContact OD1-CA 3.35Å; D209-A211 VanDerWaalsContact OD1-CB 3.29Å; D209-A211 WeakPolarHBondContact OD1-CB 3.47Å; D209-A211 PolarHBondContact OD1-N 3.01Å; A211-W213 VanDerWaalsContact C-N 3.34Å; A211-N214 PolarHBondContact O-N 3.34Å; A211-N215 WeakPolarHBondContact O-CB 3.42Å; A211-N215 PolarHBondContact O-N 2.92Å; A211-N215 PolarHBondContact O-ND2 3.47Å
212	S	64.9	Low	62	Low	32 Å²	32	69.5 Å²	69.5	22%	0.224	37%	0.373	C	S	.	.	H	α-helix	trans	-65.2	-37.8	172.4	64.7	0	0	0	0	112	Y198 D209 Y216	Y198-S212 PolarHBondContact OH-OG 3.01Å; Y198-S212 VanDerWaalsContact OH-OG 3.06Å; D209-S212 PolarHBondContact O-OG 2.84Å; D209-S212 PolarHBondContact OD1-N 3.08Å; D209-S212 WeakPolarHBondContact OD2-CB 3.26Å; D209-S212 PolarHBondContact OD2-OG 3.15Å; S212-Y216 WeakPolarHBondContact O-CB 3.42Å; S212-Y216 PolarHBondContact O-N 2.85Å
213	W	68.7	Low	62.5	Low	10 Å²	10	67 Å²	67	4%	0.038	37%	0.372	C	S	.	.	H	α-helix	trans	-63.9	-48.7	173.3	-177.9	-120.8	0	0	0	112	Y198 W208 D209 W210 A211 N215 Y216 L217 F231 W242	Y198-W213 AromaticContact CD1-CE3 3.7Å; Y198-W213 HydrophobicContact CD1-CE3 3.7Å; Y198-W213 AromaticContact CD1-CZ3 3.62Å; Y198-W213 HydrophobicContact CD1-CZ3 3.62Å; Y198-W213 AromaticContact CE1-CE3 3.48Å; Y198-W213 HydrophobicContact CE1-CE3 3.48Å; Y198-W213 VanDerWaalsContact CE1-CE3 3.48Å; Y198-W213 AromaticContact CE1-CZ3 3.92Å; Y198-W213 HydrophobicContact CE1-CZ3 3.92Å; Y198-W213 HydrophobicContact CE2-CE3 4.43Å; Y198-W213 HydrophobicContact CG-CE3 4.27Å; Y198-W213 HydrophobicContact CG-CZ3 4.06Å; Y198-W213 AromaticContact CZ-CE3 3.87Å; Y198-W213 PolarHBondContact OH-N 3.41Å; W208-W213 HydrophobicContact CZ2-CB 4.33Å; W208-W213 HydrophobicContact CZ2-CG 4.3Å; D209-W213 PolarHBondContact O-N 3.39Å; W210-W213 AromaticContact CE3-CD1 3.94Å; W210-W213 AromaticContact CZ3-CD1 3.74Å; A211-W213 VanDerWaalsContact C-N 3.34Å; W213-N215 VanDerWaalsContact C-N 3.35Å; W213-N215 PolarHBondContact O-N 3.32Å; W213-Y216 HydrophobicContact CE3-CD1 4.05Å; W213-Y216 AromaticContact CZ3-CD1 3.85Å; W213-Y216 HydrophobicContact CZ3-CD1 3.85Å; W213-Y216 HydrophobicContact CZ3-CE1 4.15Å; W213-Y216 WeakPolarHBondContact O-CB 3.31Å; W213-Y216 PolarHBondContact O-N 3.37Å; W213-Y216 VanDerWaalsContact O-N 3.15Å; W213-L217 HydrophobicContact CD2-CD1 4.45Å; W213-L217 HydrophobicContact CD2-CG 4.31Å; W213-L217 HydrophobicContact CH2-CD2 4.22Å; W213-L217 HydrophobicContact CZ2-CD1 4.28Å; W213-L217 HydrophobicContact CZ2-CD2 4.07Å; W213-L217 HydrophobicContact CZ2-CG 4.39Å; W213-L217 WeakPolarHBondContact O-CG 3.49Å; W213-L217 PolarHBondContact O-N 2.88Å; W213-F231 HydrophobicContact CH2-CE2 4.08Å; W213-F231 HydrophobicContact CH2-CZ 4.25Å; W213-F231 AromaticContact CZ2-CE2 3.91Å; W213-F231 HydrophobicContact CZ2-CE2 3.91Å; W213-F231 AromaticContact CZ2-CZ 3.67Å; W213-F231 HydrophobicContact CZ2-CZ 3.67Å; W213-W242 AromaticContact CZ2-CH2 3.8Å; W213-W242 HydrophobicContact CZ2-CH2 3.8Å; W213-W242 HydrophobicContact CZ2-CZ2 4.37Å; W213-W242 HydrophobicContact CZ2-CZ3 4.15Å; W213-W242 AromaticContact NE1-CE3 3.91Å; W213-W242 AromaticContact NE1-CZ3 3.6Å
214	N	66.7	Low	62.6	Low	68 Å²	68	68.4 Å²	68.4	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-36.2	178.2	-171.1	58.1	0	0	0	112.6	W210 A211 Y216 L217 S218	W210-N214 VanDerWaalsContact O-CB 3.27Å; W210-N214 WeakPolarHBondContact O-CB 3.32Å; W210-N214 PolarHBondContact O-N 2.97Å; A211-N214 PolarHBondContact O-N 3.34Å; N214-Y216 VanDerWaalsContact C-N 3.34Å; N214-L217 PolarHBondContact O-N 3.01Å; N214-S218 VanDerWaalsContact O-CB 3.23Å; N214-S218 WeakPolarHBondContact O-CB 3.4Å; N214-S218 PolarHBondContact O-N 2.94Å; N214-S218 PolarHBondContact O-OG 2.78Å
215	N	63.5	Low	63.4	Low	65 Å²	65	64 Å²	64	35%	0.348	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-39.8	171.9	-75.7	-23	0	0	0	111.5	A211 W213 S218 W219	A211-N215 WeakPolarHBondContact O-CB 3.42Å; A211-N215 PolarHBondContact O-N 2.92Å; A211-N215 PolarHBondContact O-ND2 3.47Å; W213-N215 VanDerWaalsContact C-N 3.35Å; W213-N215 PolarHBondContact O-N 3.32Å; N215-S218 PolarHBondContact O-N 2.89Å; N215-W219 WeakPolarHBondContact O-CB 3.4Å; N215-W219 PolarHBondContact O-N 3.24Å
216	Y	67.7	Low	64.1	Low	17 Å²	17	65.3 Å²	65.3	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-68.9	-43.7	176.4	177.3	-108.3	0	0	0	112.7	V194 Y198 S212 W213 N214 S218 W219 I220	V194-Y216 WeakPolarHBondContact CG1-OH 3.39Å; V194-Y216 PolarHBondContact O-OH 3.19Å; Y198-Y216 AromaticContact CD2-CD1 3.43Å; Y198-Y216 HydrophobicContact CD2-CD1 3.43Å; Y198-Y216 VanDerWaalsContact CD2-CD1 3.43Å; Y198-Y216 AromaticContact CD2-CD2 3.54Å; Y198-Y216 HydrophobicContact CD2-CD2 3.54Å; Y198-Y216 AromaticContact CD2-CE1 3.8Å; Y198-Y216 HydrophobicContact CD2-CE1 3.8Å; Y198-Y216 AromaticContact CD2-CE2 3.9Å; Y198-Y216 HydrophobicContact CD2-CE2 3.9Å; Y198-Y216 AromaticContact CD2-CG 3.27Å; Y198-Y216 HydrophobicContact CD2-CG 3.27Å; Y198-Y216 HydrophobicContact CE2-CD1 4.01Å; Y198-Y216 HydrophobicContact CE2-CD2 4.16Å; Y198-Y216 AromaticContact CE2-CG 3.65Å; Y198-Y216 HydrophobicContact CE2-CG 3.65Å; Y198-Y216 AromaticContact CG-CD1 3.77Å; Y198-Y216 HydrophobicContact CG-CD1 3.77Å; Y198-Y216 HydrophobicContact CG-CD2 4.45Å; Y198-Y216 AromaticContact CG-CE1 3.8Å; Y198-Y216 HydrophobicContact CG-CE1 3.8Å; Y198-Y216 HydrophobicContact CG-CE2 4.48Å; Y198-Y216 HydrophobicContact CG-CG 4.1Å; S212-Y216 WeakPolarHBondContact O-CB 3.42Å; S212-Y216 PolarHBondContact O-N 2.85Å; W213-Y216 HydrophobicContact CE3-CD1 4.05Å; W213-Y216 AromaticContact CZ3-CD1 3.85Å; W213-Y216 HydrophobicContact CZ3-CD1 3.85Å; W213-Y216 HydrophobicContact CZ3-CE1 4.15Å; W213-Y216 WeakPolarHBondContact O-CB 3.31Å; W213-Y216 PolarHBondContact O-N 3.37Å; W213-Y216 VanDerWaalsContact O-N 3.15Å; N214-Y216 VanDerWaalsContact C-N 3.34Å; Y216-S218 VanDerWaalsContact C-N 3.3Å; Y216-S218 PolarHBondContact O-N 2.95Å; Y216-W219 AromaticContact CD2-CE3 3.93Å; Y216-W219 HydrophobicContact CD2-CE3 3.93Å; Y216-W219 HydrophobicContact CD2-CZ3 4.39Å; Y216-W219 AromaticContact CE2-CE3 3.8Å; Y216-W219 HydrophobicContact CE2-CE3 3.8Å; Y216-W219 AromaticContact CE2-CZ3 3.8Å; Y216-W219 HydrophobicContact CE2-CZ3 3.8Å; Y216-W219 WeakPolarHBondContact O-CA 3.31Å; Y216-W219 WeakPolarHBondContact O-CB 3.3Å; Y216-W219 PolarHBondContact O-N 2.83Å; Y216-W219 VanDerWaalsContact O-N 3.12Å; Y216-I220 HydrophobicContact CD1-CD1 4.14Å; Y216-I220 HydrophobicContact CE1-CD1 3.5Å; Y216-I220 HydrophobicContact CE1-CG1 4.26Å; Y216-I220 HydrophobicContact CE2-CD1 4.39Å; Y216-I220 HydrophobicContact CE2-CG1 4.39Å; Y216-I220 PolarHBondContact O-N 3.45Å
217	L	66.8	Low	64.7	Low	15 Å²	15	63.9 Å²	63.9	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-38.2	173.2	-65.8	-174.7	0	0	0	111.8	W213 N214 W219 I220 A221 F231	W213-L217 HydrophobicContact CD2-CD1 4.45Å; W213-L217 HydrophobicContact CD2-CG 4.31Å; W213-L217 HydrophobicContact CH2-CD2 4.22Å; W213-L217 HydrophobicContact CZ2-CD1 4.28Å; W213-L217 HydrophobicContact CZ2-CD2 4.07Å; W213-L217 HydrophobicContact CZ2-CG 4.39Å; W213-L217 WeakPolarHBondContact O-CG 3.49Å; W213-L217 PolarHBondContact O-N 2.88Å; N214-L217 PolarHBondContact O-N 3.01Å; L217-W219 VanDerWaalsContact C-N 3.33Å; L217-I220 PolarHBondContact O-N 3.41Å; L217-A221 WeakPolarHBondContact O-CB 3.44Å; L217-A221 PolarHBondContact O-N 3.41Å; L217-F231 HydrophobicContact CD1-CE1 3.75Å; L217-F231 HydrophobicContact CD1-CZ 3.97Å; L217-F231 HydrophobicContact CD2-CD1 3.93Å; L217-F231 HydrophobicContact CD2-CE1 3.43Å; L217-F231 VanDerWaalsContact CD2-CE1 3.43Å; L217-F231 HydrophobicContact CD2-CE2 4.12Å; L217-F231 HydrophobicContact CD2-CG 4.49Å; L217-F231 HydrophobicContact CD2-CZ 3.53Å; L217-F231 HydrophobicContact CG-CE1 4.24Å; L217-F231 HydrophobicContact CG-CZ 4.41Å
218	S	70.5	Confident	65.5	Low	50 Å²	50	62.5 Å²	62.5	35%	0.35	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-34.7	172.7	-61.1	0	0	0	0	112.3	N214 N215 Y216 R222	N214-S218 VanDerWaalsContact O-CB 3.23Å; N214-S218 WeakPolarHBondContact O-CB 3.4Å; N214-S218 PolarHBondContact O-N 2.94Å; N214-S218 PolarHBondContact O-OG 2.78Å; N215-S218 PolarHBondContact O-N 2.89Å; Y216-S218 VanDerWaalsContact C-N 3.3Å; Y216-S218 PolarHBondContact O-N 2.95Å; S218-R222 WeakPolarHBondContact O-CB 3.26Å; S218-R222 VanDerWaalsContact O-CD 3.29Å; S218-R222 WeakPolarHBondContact O-CD 3.04Å; S218-R222 VanDerWaalsContact O-CG 3.23Å; S218-R222 WeakPolarHBondContact O-CG 3.46Å; S218-R222 PolarHBondContact O-N 3.35Å
219	W	71.2	Confident	66.2	Low	121 Å²	121	64.7 Å²	64.7	46%	0.458	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-49.6	172.8	175.9	89.1	0	0	0	110.9	N215 Y216 L217 A221 R222 T223	N215-W219 WeakPolarHBondContact O-CB 3.4Å; N215-W219 PolarHBondContact O-N 3.24Å; Y216-W219 AromaticContact CD2-CE3 3.93Å; Y216-W219 HydrophobicContact CD2-CE3 3.93Å; Y216-W219 HydrophobicContact CD2-CZ3 4.39Å; Y216-W219 AromaticContact CE2-CE3 3.8Å; Y216-W219 HydrophobicContact CE2-CE3 3.8Å; Y216-W219 AromaticContact CE2-CZ3 3.8Å; Y216-W219 HydrophobicContact CE2-CZ3 3.8Å; Y216-W219 WeakPolarHBondContact O-CA 3.31Å; Y216-W219 WeakPolarHBondContact O-CB 3.3Å; Y216-W219 PolarHBondContact O-N 2.83Å; Y216-W219 VanDerWaalsContact O-N 3.12Å; L217-W219 VanDerWaalsContact C-N 3.33Å; W219-A221 PolarHBondContact O-N 2.81Å; W219-R222 PolarHBondContact O-N 2.84Å; W219-T223 HydrophobicContact CD2-CG2 4.17Å; W219-T223 HydrophobicContact CG-CG2 4.29Å; W219-T223 HydrophobicContact CZ2-CG2 4.19Å; W219-T223 PolarHBondContact O-N 3.35Å; W219-T223 PolarHBondContact O-OG1 3.43Å
220	I	63.8	Low	66.2	Low	13 Å²	13	65.4 Å²	65.4	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-56.8	-47.9	173.7	-63.7	179.9	0	0	0	110.5	V194 Y216 L217 R222 T223 N224 W227	V194-I220 HydrophobicContact CG1-CD1 4.26Å; Y216-I220 HydrophobicContact CD1-CD1 4.14Å; Y216-I220 HydrophobicContact CE1-CD1 3.5Å; Y216-I220 HydrophobicContact CE1-CG1 4.26Å; Y216-I220 HydrophobicContact CE2-CD1 4.39Å; Y216-I220 HydrophobicContact CE2-CG1 4.39Å; Y216-I220 PolarHBondContact O-N 3.45Å; L217-I220 PolarHBondContact O-N 3.41Å; I220-R222 PolarHBondContact O-N 3.4Å; I220-R222 VanDerWaalsContact O-N 3.08Å; I220-T223 PolarHBondContact O-N 2.86Å; I220-N224 CarbonylContact O-C 3.58Å; I220-N224 WeakPolarHBondContact O-CA 3.31Å; I220-N224 PolarHBondContact O-N 2.8Å; I220-W227 HydrophobicContact CG2-CB 3.8Å
221	A	70.2	Confident	66.2	Low	36 Å²	36	64.6 Å²	64.6	30%	0.298	33%	0.326	S	S	.	.	H	α-helix	trans	-57.5	-26.6	178.9	0	0	0	0	0	113.5	L217 W219 Y228	L217-A221 WeakPolarHBondContact O-CB 3.44Å; L217-A221 PolarHBondContact O-N 3.41Å; W219-A221 PolarHBondContact O-N 2.81Å; A221-Y228 HydrophobicContact CB-CD1 4.18Å; A221-Y228 HydrophobicContact CB-CD2 3.75Å; A221-Y228 HydrophobicContact CB-CE2 4.19Å; A221-Y228 HydrophobicContact CB-CG 3.74Å
222	R	65.8	Low	66.3	Low	170 Å²	170	63.5 Å²	63.5	64%	0.642	32%	0.316	S	S	*	.	H	α-helix	trans	-93.1	-37.6	179.1	-75.1	165.2	41.5	75.8	-2.1	114.2	S218 W219 I220	S218-R222 WeakPolarHBondContact O-CB 3.26Å; S218-R222 VanDerWaalsContact O-CD 3.29Å; S218-R222 WeakPolarHBondContact O-CD 3.04Å; S218-R222 VanDerWaalsContact O-CG 3.23Å; S218-R222 WeakPolarHBondContact O-CG 3.46Å; S218-R222 PolarHBondContact O-N 3.35Å; W219-R222 PolarHBondContact O-N 2.84Å; I220-R222 PolarHBondContact O-N 3.4Å; I220-R222 VanDerWaalsContact O-N 3.08Å
223	T	64.1	Low	66.3	Low	79 Å²	79	65.8 Å²	65.8	49%	0.485	33%	0.325	S	S	.	.	H	α-helix	trans	-87.7	-36.3	-177.4	56.7	0	0	0	0	112	W219 I220	W219-T223 HydrophobicContact CD2-CG2 4.17Å; W219-T223 HydrophobicContact CG-CG2 4.29Å; W219-T223 HydrophobicContact CZ2-CG2 4.19Å; W219-T223 PolarHBondContact O-N 3.35Å; W219-T223 PolarHBondContact O-OG1 3.43Å; I220-T223 PolarHBondContact O-N 2.86Å
224	N	59.4	Low	65.9	Low	62 Å²	62	69.1 Å²	69.1	33%	0.332	34%	0.343	S	S	.	.			trans	-147.5	78.4	-175.9	-151.1	-23.6	0	0	0	112.3	I220 Q226 W227 Y228	I220-N224 CarbonylContact O-C 3.58Å; I220-N224 WeakPolarHBondContact O-CA 3.31Å; I220-N224 PolarHBondContact O-N 2.8Å; N224-Q226 PolarHBondContact O-N 2.87Å; N224-W227 HydrophobicContact CB-CB 4.32Å; N224-W227 HydrophobicContact CB-CG 4.32Å; N224-W227 PolarHBondContact ND2-NE1 3Å; N224-W227 WeakPolarHBondContact O-CB 3.47Å; N224-W227 PolarHBondContact O-N 3.25Å; N224-W227 VanDerWaalsContact OD1-CD1 3.28Å; N224-Y228 PolarHBondContact O-N 3.19Å
225	P	71.2	Confident	65.8	Low	80 Å²	80	66.1 Å²	66.1	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-25.5	-171.9	24.4	-34.6	0	0	0	114.2	W227 Y228 E229	P225-W227 VanDerWaalsContact C-N 3.3Å; P225-W227 PolarHBondContact O-N 3.45Å; P225-Y228 PolarHBondContact O-N 3.16Å; P225-E229 PolarHBondContact O-N 3.4Å
226	Q	61.8	Low	65.8	Low	144 Å²	144	70.4 Å²	70.4	67%	0.673	34%	0.339	S	S	*	.	H	α-helix	trans	-62.5	-39.2	173.4	-71.1	178.4	-47.1	0	0	111.4	N224 E229 I230	N224-Q226 PolarHBondContact O-N 2.87Å; Q226-E229 PolarHBondContact O-N 3.17Å; Q226-I230 VanDerWaalsContact O-CG1 3.3Å; Q226-I230 WeakPolarHBondContact O-CG1 3.39Å; Q226-I230 PolarHBondContact O-N 2.88Å
227	W	61.7	Low	65.4	Low	37 Å²	37	73 Å²	73	14%	0.14	37%	0.371	C	S	.	.	H	α-helix	trans	-70.5	-35.1	176.6	-77.4	67.8	0	0	0	113	C188 V194 I220 N224 P225 E229 I230 F231	C188-W227 VanDerWaalsContact CA-CZ2 3.41Å; C188-W227 HydrophobicContact CB-CZ2 3.8Å; C188-W227 WeakPolarHBondContact O-CZ2 3.44Å; V194-W227 HydrophobicContact CB-CE3 4.36Å; V194-W227 HydrophobicContact CB-CH2 4.28Å; V194-W227 HydrophobicContact CB-CZ3 3.71Å; V194-W227 HydrophobicContact CG1-CE3 4.45Å; V194-W227 HydrophobicContact CG1-CZ3 4.26Å; V194-W227 HydrophobicContact CG2-CE3 4.1Å; V194-W227 HydrophobicContact CG2-CH2 3.34Å; V194-W227 HydrophobicContact CG2-CZ2 4.28Å; V194-W227 HydrophobicContact CG2-CZ3 3.26Å; I220-W227 HydrophobicContact CG2-CB 3.8Å; N224-W227 HydrophobicContact CB-CB 4.32Å; N224-W227 HydrophobicContact CB-CG 4.32Å; N224-W227 PolarHBondContact ND2-NE1 3Å; N224-W227 WeakPolarHBondContact O-CB 3.47Å; N224-W227 PolarHBondContact O-N 3.25Å; N224-W227 VanDerWaalsContact OD1-CD1 3.28Å; P225-W227 VanDerWaalsContact C-N 3.3Å; P225-W227 PolarHBondContact O-N 3.45Å; W227-E229 VanDerWaalsContact C-N 3.33Å; W227-I230 PolarHBondContact O-N 3.46Å; W227-F231 WeakPolarHBondContact O-CB 3.38Å; W227-F231 PolarHBondContact O-N 3.25Å
228	Y	70.6	Confident	64.8	Low	99 Å²	99	76 Å²	76	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-63.7	-40.9	172.3	-179.9	-98.8	0	0	0	111	A221 N224 P225 V232	A221-Y228 HydrophobicContact CB-CD1 4.18Å; A221-Y228 HydrophobicContact CB-CD2 3.75Å; A221-Y228 HydrophobicContact CB-CE2 4.19Å; A221-Y228 HydrophobicContact CB-CG 3.74Å; N224-Y228 PolarHBondContact O-N 3.19Å; P225-Y228 PolarHBondContact O-N 3.16Å; Y228-V232 HydrophobicContact CD1-CG2 4.27Å; Y228-V232 HydrophobicContact CD2-CG2 4.29Å; Y228-V232 HydrophobicContact CE1-CG2 3.9Å; Y228-V232 HydrophobicContact CE2-CG2 3.92Å; Y228-V232 HydrophobicContact CG-CG2 4.45Å; Y228-V232 VanDerWaalsContact O-CB 3.3Å; Y228-V232 WeakPolarHBondContact O-CB 3.41Å; Y228-V232 VanDerWaalsContact O-CG2 3.26Å; Y228-V232 WeakPolarHBondContact O-CG2 3.41Å; Y228-V232 PolarHBondContact O-N 3Å
229	E	67.9	Low	64.1	Low	108 Å²	108	76.9 Å²	76.9	51%	0.505	40%	0.403	S	S	.	.	H	α-helix	trans	-65.9	-41.6	174.6	-168.4	157	-140.2	0	0	111.9	P225 Q226 W227 N233 K1013	P225-E229 PolarHBondContact O-N 3.4Å; Q226-E229 PolarHBondContact O-N 3.17Å; W227-E229 VanDerWaalsContact C-N 3.33Å; E229-N233 VanDerWaalsContact O-CB 3.26Å; E229-N233 WeakPolarHBondContact O-CB 3.46Å; E229-N233 PolarHBondContact O-N 3.49Å; E229-N233 PolarHBondContact O-ND2 3.45Å; E229-N233 VanDerWaalsContact O-ND2 3.12Å; E229-K1013 IonicContact OE1-NZ 3.16Å
230	I	66	Low	63.2	Low	83 Å²	83	74.1 Å²	74.1	43%	0.426	40%	0.397	S	S	.	.	H	α-helix	trans	-60.6	-51.1	173	-70.4	163.3	0	0	0	111.4	P191 Q226 W227 V232 N233 L234	P191-I230 HydrophobicContact CG-CG2 4.27Å; Q226-I230 VanDerWaalsContact O-CG1 3.3Å; Q226-I230 WeakPolarHBondContact O-CG1 3.39Å; Q226-I230 PolarHBondContact O-N 2.88Å; W227-I230 PolarHBondContact O-N 3.46Å; I230-V232 PolarHBondContact O-N 2.85Å; I230-N233 PolarHBondContact O-N 2.84Å; I230-L234 HydrophobicContact CG2-CD1 3.64Å; I230-L234 HydrophobicContact CG2-CG 4.39Å; I230-L234 WeakPolarHBondContact O-CB 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.4Å; I230-L234 PolarHBondContact O-N 3.44Å
231	F	63.8	Low	63.3	Low	27 Å²	27	77.7 Å²	77.7	12%	0.118	42%	0.416	C	S	.	.	H	α-helix	trans	-58.7	-46.8	178.9	166.2	-94.2	0	0	0	112.2	W213 L217 W227 N233 L234 S235 W242	W213-F231 HydrophobicContact CH2-CE2 4.08Å; W213-F231 HydrophobicContact CH2-CZ 4.25Å; W213-F231 AromaticContact CZ2-CE2 3.91Å; W213-F231 HydrophobicContact CZ2-CE2 3.91Å; W213-F231 AromaticContact CZ2-CZ 3.67Å; W213-F231 HydrophobicContact CZ2-CZ 3.67Å; L217-F231 HydrophobicContact CD1-CE1 3.75Å; L217-F231 HydrophobicContact CD1-CZ 3.97Å; L217-F231 HydrophobicContact CD2-CD1 3.93Å; L217-F231 HydrophobicContact CD2-CE1 3.43Å; L217-F231 VanDerWaalsContact CD2-CE1 3.43Å; L217-F231 HydrophobicContact CD2-CE2 4.12Å; L217-F231 HydrophobicContact CD2-CG 4.49Å; L217-F231 HydrophobicContact CD2-CZ 3.53Å; L217-F231 HydrophobicContact CG-CE1 4.24Å; L217-F231 HydrophobicContact CG-CZ 4.41Å; W227-F231 WeakPolarHBondContact O-CB 3.38Å; W227-F231 PolarHBondContact O-N 3.25Å; F231-N233 VanDerWaalsContact C-N 3.33Å; F231-N233 PolarHBondContact O-N 3.46Å; F231-L234 PolarHBondContact O-N 2.94Å; F231-S235 WeakPolarHBondContact O-CB 3.45Å; F231-S235 PolarHBondContact O-N 2.6Å; F231-W242 HydrophobicContact CE1-CZ2 4.15Å; F231-W242 AromaticContact CE1-NE1 3.88Å; F231-W242 AromaticContact CE2-CZ2 3.89Å; F231-W242 HydrophobicContact CE2-CZ2 3.89Å; F231-W242 AromaticContact CZ-CE2 3.7Å; F231-W242 HydrophobicContact CZ-CH2 4.04Å; F231-W242 AromaticContact CZ-CZ2 3.3Å; F231-W242 HydrophobicContact CZ-CZ2 3.3Å; F231-W242 AromaticContact CZ-NE1 3.92Å
232	V	65.1	Low	62.9	Low	18 Å²	18	78.6 Å²	78.6	11%	0.109	41%	0.412	C	S	.	.	H	α-helix	trans	-67.9	-32.5	178.8	168.6	0	0	0	0	111.8	Y228 I230 S235 R236	Y228-V232 HydrophobicContact CD1-CG2 4.27Å; Y228-V232 HydrophobicContact CD2-CG2 4.29Å; Y228-V232 HydrophobicContact CE1-CG2 3.9Å; Y228-V232 HydrophobicContact CE2-CG2 3.92Å; Y228-V232 HydrophobicContact CG-CG2 4.45Å; Y228-V232 VanDerWaalsContact O-CB 3.3Å; Y228-V232 WeakPolarHBondContact O-CB 3.41Å; Y228-V232 VanDerWaalsContact O-CG2 3.26Å; Y228-V232 WeakPolarHBondContact O-CG2 3.41Å; Y228-V232 PolarHBondContact O-N 3Å; I230-V232 PolarHBondContact O-N 2.85Å; V232-S235 PolarHBondContact O-OG 3.35Å; V232-R236 VanDerWaalsContact CG1-NH2 3.29Å; V232-R236 WeakPolarHBondContact O-CB 2.42Å; V232-R236 VanDerWaalsContact O-CG 3.26Å; V232-R236 WeakPolarHBondContact O-CG 2.96Å; V232-R236 PolarHBondContact O-N 2.88Å
233	N	65.6	Low	62.8	Low	80 Å²	80	75.5 Å²	75.5	43%	0.428	41%	0.408	S	S	.	.	H	α-helix	trans	-75	-38.4	175.6	-70.1	-21.7	0	0	0	111.8	E229 I230 F231 R236 G237	E229-N233 VanDerWaalsContact O-CB 3.26Å; E229-N233 WeakPolarHBondContact O-CB 3.46Å; E229-N233 PolarHBondContact O-N 3.49Å; E229-N233 PolarHBondContact O-ND2 3.45Å; E229-N233 VanDerWaalsContact O-ND2 3.12Å; I230-N233 PolarHBondContact O-N 2.84Å; F231-N233 VanDerWaalsContact C-N 3.33Å; F231-N233 PolarHBondContact O-N 3.46Å; N233-R236 PolarHBondContact O-N 2.89Å; N233-R236 PolarHBondContact OD1-NH1 3.05Å; N233-G237 PolarHBondContact O-N 3.22Å
234	L	60.1	Low	63	Low	79 Å²	79	74.8 Å²	74.8	41%	0.414	40%	0.401	S	S	.	.	H	α-helix	trans	-63.8	-46	172.5	-75.2	164.9	0	0	0	111.9	P191 I230 F231 R236 G237 L238	P191-L234 HydrophobicContact CB-CD1 3.79Å; P191-L234 HydrophobicContact CG-CD1 3.42Å; P191-L234 VanDerWaalsContact CG-CD1 3.42Å; I230-L234 HydrophobicContact CG2-CD1 3.64Å; I230-L234 HydrophobicContact CG2-CG 4.39Å; I230-L234 WeakPolarHBondContact O-CB 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.4Å; I230-L234 PolarHBondContact O-N 3.44Å; F231-L234 PolarHBondContact O-N 2.94Å; L234-R236 VanDerWaalsContact C-N 3.3Å; L234-R236 PolarHBondContact O-N 3.14Å; L234-G237 PolarHBondContact O-N 3.27Å; L234-G237 VanDerWaalsContact O-N 3.11Å; L234-L238 WeakPolarHBondContact O-CG 2.97Å; L234-L238 PolarHBondContact O-N 2.93Å
235	S	65.5	Low	63	Low	6 Å²	6	73.6 Å²	73.6	4%	0.042	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-40	178.9	81.4	0	0	0	0	111.4	F231 V232 L238 G239 I240 W242	F231-S235 WeakPolarHBondContact O-CB 3.45Å; F231-S235 PolarHBondContact O-N 2.6Å; V232-S235 PolarHBondContact O-OG 3.35Å; S235-L238 CarbonylContact O-C 3.45Å; S235-L238 PolarHBondContact O-N 3.14Å; S235-G239 PolarHBondContact O-N 2.89Å; S235-I240 WeakPolarHBondContact O-CA 2.78Å; S235-I240 WeakPolarHBondContact O-CB 2.43Å; S235-I240 PolarHBondContact O-N 3.36Å; S235-W242 PolarHBondContact OG-NE1 3.36Å
236	R	63.3	Low	62.5	Low	155 Å²	155	74.5 Å²	74.5	59%	0.585	39%	0.388	S	S	*	.	H	α-helix	trans	-62.9	-43.2	171.4	-74.6	174.8	-173.7	140.4	8.7	112.7	V232 N233 L234 L238 G239	V232-R236 VanDerWaalsContact CG1-NH2 3.29Å; V232-R236 WeakPolarHBondContact O-CB 2.42Å; V232-R236 VanDerWaalsContact O-CG 3.26Å; V232-R236 WeakPolarHBondContact O-CG 2.96Å; V232-R236 PolarHBondContact O-N 2.88Å; N233-R236 PolarHBondContact O-N 2.89Å; N233-R236 PolarHBondContact OD1-NH1 3.05Å; L234-R236 VanDerWaalsContact C-N 3.3Å; L234-R236 PolarHBondContact O-N 3.14Å; R236-L238 VanDerWaalsContact C-N 3.26Å; R236-L238 PolarHBondContact O-N 3.1Å; R236-G239 PolarHBondContact O-N 3.38Å
237	G	59.7	Low	62.8	Low	71 Å²	71	73.4 Å²	73.4	73%	0.732	38%	0.381	S	S	*	.	H	α-helix	trans	-61.2	-34.2	176.2	0	0	0	0	0	113	N233 L234 G239	N233-G237 PolarHBondContact O-N 3.22Å; L234-G237 PolarHBondContact O-N 3.27Å; L234-G237 VanDerWaalsContact O-N 3.11Å; G237-G239 VanDerWaalsContact C-N 3.26Å; G237-G239 PolarHBondContact O-N 2.94Å
238	L	53.6	Low	63.1	Low	79 Å²	79	76.4 Å²	76.4	41%	0.414	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	0.8	173.4	-65.1	170.7	0	0	0	113.8	L234 S235 R236 I240 L337	L234-L238 WeakPolarHBondContact O-CG 2.97Å; L234-L238 PolarHBondContact O-N 2.93Å; S235-L238 CarbonylContact O-C 3.45Å; S235-L238 PolarHBondContact O-N 3.14Å; R236-L238 VanDerWaalsContact C-N 3.26Å; R236-L238 PolarHBondContact O-N 3.1Å; L238-I240 VanDerWaalsContact C-N 3.25Å; L238-I240 HydrophobicContact CB-CD1 3.94Å; L238-I240 HydrophobicContact CB-CG1 3.98Å; L238-I240 HydrophobicContact CD1-CD1 4.17Å; L238-I240 PolarHBondContact O-N 2.77Å; L238-L337 HydrophobicContact CD1-CD2 4.41Å; L238-L337 HydrophobicContact CD2-CD2 3.88Å
239	G	56.7	Low	62.9	Low	67 Å²	67	74.9 Å²	74.9	69%	0.691	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	15.4	-177.4	0	0	0	0	0	114.7	S235 R236 G237 D241	S235-G239 PolarHBondContact O-N 2.89Å; R236-G239 PolarHBondContact O-N 3.38Å; G237-G239 VanDerWaalsContact C-N 3.26Å; G237-G239 PolarHBondContact O-N 2.94Å; G239-D241 PolarHBondContact O-N 3.48Å
240	I	52	Low	62.8	Low	63 Å²	63	72 Å²	72	32%	0.323	38%	0.378	S	S	.	.			trans	-83.6	101.2	179.6	-55.6	172.1	0	0	0	109	S235 L238 W242	S235-I240 WeakPolarHBondContact O-CA 2.78Å; S235-I240 WeakPolarHBondContact O-CB 2.43Å; S235-I240 PolarHBondContact O-N 3.36Å; L238-I240 VanDerWaalsContact C-N 3.25Å; L238-I240 HydrophobicContact CB-CD1 3.94Å; L238-I240 HydrophobicContact CB-CG1 3.98Å; L238-I240 HydrophobicContact CD1-CD1 4.17Å; L238-I240 PolarHBondContact O-N 2.77Å; I240-W242 HydrophobicContact CG2-CD2 4.02Å; I240-W242 HydrophobicContact CG2-CE3 4.21Å; I240-W242 HydrophobicContact CG2-CH2 4.15Å; I240-W242 HydrophobicContact CG2-CZ2 3.96Å; I240-W242 HydrophobicContact CG2-CZ3 4.29Å
241	D	65.3	Low	62.9	Low	89 Å²	89	72.1 Å²	72.1	48%	0.476	39%	0.386	S	S	.	.			trans	-84.6	109.8	163.8	-176.2	-3.3	0	0	0	109.6	G239 D243 D244 M245	G239-D241 PolarHBondContact O-N 3.48Å; D241-D243 VanDerWaalsContact C-N 3.27Å; D241-D243 PolarHBondContact O-N 2.78Å; D241-D243 WeakPolarHBondContact OD1-CB 2.94Å; D241-D243 PolarHBondContact OD1-N 3.31Å; D241-D244 HydrophobicContact CB-CB 4.03Å; D241-D244 PolarHBondContact O-N 2.62Å; D241-M245 PolarHBondContact O-N 2.77Å
242	W	62.3	Low	62.9	Low	55 Å²	55	73.7 Å²	73.7	21%	0.208	40%	0.4	C	S	.	.	H	α-helix	trans	-66.9	-26.2	178.7	-62.7	107.7	0	0	0	112.7	W210 W213 F231 S235 I240 M245 Y246	W210-W242 HydrophobicContact CH2-CB 4.37Å; W210-W242 HydrophobicContact CZ3-CE3 4.48Å; W213-W242 AromaticContact CZ2-CH2 3.8Å; W213-W242 HydrophobicContact CZ2-CH2 3.8Å; W213-W242 HydrophobicContact CZ2-CZ2 4.37Å; W213-W242 HydrophobicContact CZ2-CZ3 4.15Å; W213-W242 AromaticContact NE1-CE3 3.91Å; W213-W242 AromaticContact NE1-CZ3 3.6Å; F231-W242 HydrophobicContact CE1-CZ2 4.15Å; F231-W242 AromaticContact CE1-NE1 3.88Å; F231-W242 AromaticContact CE2-CZ2 3.89Å; F231-W242 HydrophobicContact CE2-CZ2 3.89Å; F231-W242 AromaticContact CZ-CE2 3.7Å; F231-W242 HydrophobicContact CZ-CH2 4.04Å; F231-W242 AromaticContact CZ-CZ2 3.3Å; F231-W242 HydrophobicContact CZ-CZ2 3.3Å; F231-W242 AromaticContact CZ-NE1 3.92Å; S235-W242 PolarHBondContact OG-NE1 3.36Å; I240-W242 HydrophobicContact CG2-CD2 4.02Å; I240-W242 HydrophobicContact CG2-CE3 4.21Å; I240-W242 HydrophobicContact CG2-CH2 4.15Å; I240-W242 HydrophobicContact CG2-CZ2 3.96Å; I240-W242 HydrophobicContact CG2-CZ3 4.29Å; W242-M245 HydrophobicContact CE3-CE 3.78Å; W242-M245 HydrophobicContact CE3-SD 4.13Å; W242-M245 HydrophobicContact CZ3-CE 3.71Å; W242-M245 HydrophobicContact CZ3-SD 3.94Å; W242-M245 PolarHBondContact O-N 3.46Å; W242-Y246 WeakPolarHBondContact O-CB 3.5Å; W242-Y246 PolarHBondContact O-N 3.37Å
243	D	64	Low	62.6	Low	104 Å²	104	77.3 Å²	77.3	56%	0.556	42%	0.423	S	S	*	.	H	α-helix	trans	-74	-37.3	178	-66.3	-17.3	0	0	0	110.9	D241 K247	D241-D243 VanDerWaalsContact C-N 3.27Å; D241-D243 PolarHBondContact O-N 2.78Å; D241-D243 WeakPolarHBondContact OD1-CB 2.94Å; D241-D243 PolarHBondContact OD1-N 3.31Å; D243-K247 VanDerWaalsContact O-CD 3.3Å; D243-K247 WeakPolarHBondContact O-CD 3.31Å; D243-K247 WeakPolarHBondContact O-CG 3.47Å; D243-K247 PolarHBondContact O-N 2.84Å
244	D	66.8	Low	61.9	Low	64 Å²	64	76.3 Å²	76.3	34%	0.342	42%	0.421	S	S	.	.	H	α-helix	trans	-68.8	-40.5	170.6	179.2	56.8	0	0	0	111.6	D241 Y246 K247 K248	D241-D244 HydrophobicContact CB-CB 4.03Å; D241-D244 PolarHBondContact O-N 2.62Å; D244-Y246 VanDerWaalsContact C-N 3.33Å; D244-Y246 PolarHBondContact O-N 3.17Å; D244-K247 PolarHBondContact O-N 3.01Å; D244-K248 WeakPolarHBondContact O-CB 3.35Å; D244-K248 WeakPolarHBondContact O-CG 3.48Å; D244-K248 PolarHBondContact O-N 3.06Å; D244-K248 VanDerWaalsContact OD1-CE 3.23Å; D244-K248 WeakPolarHBondContact OD1-CE 3.02Å; D244-K248 IonicContact OD1-NZ 3.22Å; D244-K248 PolarHBondContact OD1-NZ 2.74Å; D244-K248 WeakPolarHBondContact OD2-CE 3.32Å; D244-K248 IonicContact OD2-NZ 3.47Å; D244-K248 PolarHBondContact OD2-NZ 3.08Å
245	M	60	Low	60.9	Low	37 Å²	37	74.9 Å²	74.9	18%	0.182	43%	0.426	C	S	.	.	H	α-helix	trans	-63.7	-38.5	175.3	-157.7	-169.9	79.9	0	0	112.2	W208 W210 D241 W242 W249	W208-M245 HydrophobicContact CH2-CE 3.73Å; W208-M245 HydrophobicContact CZ2-CE 3.86Å; W210-M245 HydrophobicContact CE3-CE 4.49Å; W210-M245 HydrophobicContact CZ3-CE 3.95Å; D241-M245 PolarHBondContact O-N 2.77Å; W242-M245 HydrophobicContact CE3-CE 3.78Å; W242-M245 HydrophobicContact CE3-SD 4.13Å; W242-M245 HydrophobicContact CZ3-CE 3.71Å; W242-M245 HydrophobicContact CZ3-SD 3.94Å; W242-M245 PolarHBondContact O-N 3.46Å; M245-W249 WeakPolarHBondContact O-CB 3.4Å; M245-W249 PolarHBondContact O-N 3.46Å
246	Y	60.8	Low	59.5	Low	99 Å²	99	82 Å²	82	39%	0.388	46%	0.464	S	S	.	.	H	α-helix	trans	-64.6	-49.6	173.9	175.3	-115.4	0	0	0	111.8	W210 W242 D244 K248 W249 V250	W210-Y246 AromaticContact CD1-CD2 3.61Å; W210-Y246 AromaticContact CD1-CE2 3.49Å; W210-Y246 VanDerWaalsContact CD1-CE2 3.49Å; W210-Y246 AromaticContact CD2-CD2 3.77Å; W210-Y246 HydrophobicContact CD2-CD2 3.77Å; W210-Y246 HydrophobicContact CD2-CE2 4.43Å; W210-Y246 AromaticContact CE2-CD2 3.44Å; W210-Y246 VanDerWaalsContact CE2-CD2 3.44Å; W210-Y246 AromaticContact CG-CD2 3.86Å; W210-Y246 HydrophobicContact CG-CD2 3.86Å; W210-Y246 HydrophobicContact CG-CE2 4.08Å; W210-Y246 AromaticContact CZ2-CD2 3.98Å; W210-Y246 HydrophobicContact CZ2-CD2 3.98Å; W210-Y246 HydrophobicContact CZ2-CG 4.08Å; W210-Y246 AromaticContact NE1-CD2 3.34Å; W210-Y246 VanDerWaalsContact NE1-CD2 3.34Å; W210-Y246 AromaticContact NE1-CE2 3.47Å; W242-Y246 WeakPolarHBondContact O-CB 3.5Å; W242-Y246 PolarHBondContact O-N 3.37Å; D244-Y246 VanDerWaalsContact C-N 3.33Å; D244-Y246 PolarHBondContact O-N 3.17Å; Y246-K248 VanDerWaalsContact C-N 3.3Å; Y246-K248 PolarHBondContact O-N 3.45Å; Y246-W249 HydrophobicContact CD2-CE3 4.09Å; Y246-W249 HydrophobicContact CE2-CE3 4.01Å; Y246-W249 HydrophobicContact CE2-CZ3 4.08Å; Y246-W249 WeakPolarHBondContact O-CA 3.47Å; Y246-W249 WeakPolarHBondContact O-CB 3.22Å; Y246-W249 PolarHBondContact O-N 2.87Å; Y246-V250 HydrophobicContact CD2-CG2 4.12Å; Y246-V250 HydrophobicContact CE1-CG2 4.09Å; Y246-V250 HydrophobicContact CE2-CG2 3.65Å; Y246-V250 WeakPolarHBondContact O-CG2 3.45Å; Y246-V250 PolarHBondContact O-N 2.95Å
247	K	68.4	Low	58	Low	122 Å²	122	80.7 Å²	80.7	53%	0.53	48%	0.478	S	S	.	.	H	α-helix	trans	-54.8	-44.5	175.8	-71.9	159.4	-166.2	155.2	0	112.1	D243 D244 W249 V250 S251	D243-K247 VanDerWaalsContact O-CD 3.3Å; D243-K247 WeakPolarHBondContact O-CD 3.31Å; D243-K247 WeakPolarHBondContact O-CG 3.47Å; D243-K247 PolarHBondContact O-N 2.84Å; D244-K247 PolarHBondContact O-N 3.01Å; K247-W249 VanDerWaalsContact C-N 3.34Å; K247-V250 PolarHBondContact O-N 3.14Å; K247-S251 WeakPolarHBondContact O-CB 3.28Å; K247-S251 PolarHBondContact O-N 3.35Å; K247-S251 PolarHBondContact O-OG 3.49Å
248	K	66.8	Low	56.7	Low	99 Å²	99	82.6 Å²	82.6	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-67.4	-31.7	176.2	-73.3	168.8	178.7	167.5	0	113	D244 Y246 S252 M324	D244-K248 WeakPolarHBondContact O-CB 3.35Å; D244-K248 WeakPolarHBondContact O-CG 3.48Å; D244-K248 PolarHBondContact O-N 3.06Å; D244-K248 VanDerWaalsContact OD1-CE 3.23Å; D244-K248 WeakPolarHBondContact OD1-CE 3.02Å; D244-K248 IonicContact OD1-NZ 3.22Å; D244-K248 PolarHBondContact OD1-NZ 2.74Å; D244-K248 WeakPolarHBondContact OD2-CE 3.32Å; D244-K248 IonicContact OD2-NZ 3.47Å; D244-K248 PolarHBondContact OD2-NZ 3.08Å; Y246-K248 VanDerWaalsContact C-N 3.3Å; Y246-K248 PolarHBondContact O-N 3.45Å; K248-S252 WeakPolarHBondContact O-CB 3.42Å; K248-S252 PolarHBondContact O-N 2.87Å; K248-S252 VanDerWaalsContact O-N 3.16Å; K248-S252 PolarHBondContact O-OG 3.06Å; K248-M324 HydrophobicContact CB-CE 4.23Å
249	W	66.4	Low	55.6	Low	68 Å²	68	85 Å²	85	26%	0.258	50%	0.503	S	S	.	.	H	α-helix	trans	-69.2	-49.1	172.1	177.3	75	0	0	0	111.7	W208 W210 M245 Y246 K247 S251 S252 V253	W208-W249 AromaticContact CZ3-CD1 3.65Å; W208-W249 HydrophobicContact CZ3-CG 4.11Å; W208-W249 AromaticContact CZ3-NE1 3.87Å; W210-W249 HydrophobicContact CB-CD2 4.34Å; W210-W249 HydrophobicContact CB-CE3 4.04Å; W210-W249 HydrophobicContact CB-CH2 4.02Å; W210-W249 HydrophobicContact CB-CZ2 4.3Å; W210-W249 HydrophobicContact CB-CZ3 3.88Å; W210-W249 HydrophobicContact CG-CE3 4.48Å; W210-W249 HydrophobicContact CG-CZ3 4.45Å; M245-W249 WeakPolarHBondContact O-CB 3.4Å; M245-W249 PolarHBondContact O-N 3.46Å; Y246-W249 HydrophobicContact CD2-CE3 4.09Å; Y246-W249 HydrophobicContact CE2-CE3 4.01Å; Y246-W249 HydrophobicContact CE2-CZ3 4.08Å; Y246-W249 WeakPolarHBondContact O-CA 3.47Å; Y246-W249 WeakPolarHBondContact O-CB 3.22Å; Y246-W249 PolarHBondContact O-N 2.87Å; K247-W249 VanDerWaalsContact C-N 3.34Å; W249-S251 VanDerWaalsContact C-N 3.31Å; W249-S251 PolarHBondContact O-N 2.98Å; W249-S252 WeakPolarHBondContact CA-OG 3.37Å; W249-S252 CarbonylContact O-C 3.59Å; W249-S252 WeakPolarHBondContact O-CA 3.44Å; W249-S252 PolarHBondContact O-N 3.12Å; W249-S252 PolarHBondContact O-OG 2.85Å; W249-V253 HydrophobicContact CD2-CG2 4.25Å; W249-V253 HydrophobicContact CZ2-CG2 3.99Å; W249-V253 WeakPolarHBondContact O-CG2 3.49Å; W249-V253 PolarHBondContact O-N 3.41Å; W249-V253 VanDerWaalsContact O-N 3.09Å
250	V	65.6	Low	54.4	Low	48 Å²	48	89.2 Å²	89.2	29%	0.291	51%	0.509	S	S	.	.	H	α-helix	trans	-55.5	-47.3	175.8	174.8	0	0	0	0	110.7	Y246 K247 S252 V253 S254	Y246-V250 HydrophobicContact CD2-CG2 4.12Å; Y246-V250 HydrophobicContact CE1-CG2 4.09Å; Y246-V250 HydrophobicContact CE2-CG2 3.65Å; Y246-V250 WeakPolarHBondContact O-CG2 3.45Å; Y246-V250 PolarHBondContact O-N 2.95Å; K247-V250 PolarHBondContact O-N 3.14Å; V250-S252 VanDerWaalsContact C-N 3.26Å; V250-S252 PolarHBondContact O-N 3.22Å; V250-V253 PolarHBondContact O-N 3.49Å; V250-S254 PolarHBondContact O-N 3.35Å; V250-S254 PolarHBondContact O-OG 3Å
251	S	68.8	Low	53.6	Low	85 Å²	85	95.2 Å²	95.2	59%	0.594	53%	0.533	S	S	*	.	H	α-helix	trans	-59.2	-34.6	176.2	-53.6	0	0	0	0	113	K247 W249 V253	K247-S251 WeakPolarHBondContact O-CB 3.28Å; K247-S251 PolarHBondContact O-N 3.35Å; K247-S251 PolarHBondContact O-OG 3.49Å; W249-S251 VanDerWaalsContact C-N 3.31Å; W249-S251 PolarHBondContact O-N 2.98Å; S251-V253 VanDerWaalsContact C-N 3.33Å
252	S	64.4	Low	52.1	Low	59 Å²	59	97.9 Å²	97.9	41%	0.413	55%	0.547	S	S	.	.	H	α-helix	trans	-79.2	-9.8	176.3	69.9	0	0	0	0	114.9	K248 W249 V250	K248-S252 WeakPolarHBondContact O-CB 3.42Å; K248-S252 PolarHBondContact O-N 2.87Å; K248-S252 VanDerWaalsContact O-N 3.16Å; K248-S252 PolarHBondContact O-OG 3.06Å; W249-S252 WeakPolarHBondContact CA-OG 3.37Å; W249-S252 CarbonylContact O-C 3.59Å; W249-S252 WeakPolarHBondContact O-CA 3.44Å; W249-S252 PolarHBondContact O-N 3.12Å; W249-S252 PolarHBondContact O-OG 2.85Å; V250-S252 VanDerWaalsContact C-N 3.26Å; V250-S252 PolarHBondContact O-N 3.22Å
253	V	58.2	Low	50.8	Low	95 Å²	95	101 Å²	101	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-98.2	-37.8	175.3	174.2	0	0	0	0	110.8	W249 V250 S251 G255	W249-V253 HydrophobicContact CD2-CG2 4.25Å; W249-V253 HydrophobicContact CZ2-CG2 3.99Å; W249-V253 WeakPolarHBondContact O-CG2 3.49Å; W249-V253 PolarHBondContact O-N 3.41Å; W249-V253 VanDerWaalsContact O-N 3.09Å; V250-V253 PolarHBondContact O-N 3.49Å; S251-V253 VanDerWaalsContact C-N 3.33Å; V253-G255 PolarHBondContact O-N 2.97Å
254	S	50.9	Low	49.2	Very low	58 Å²	58	101.8 Å²	101.8	41%	0.406	59%	0.586	S	S	.	*	S	Bend	trans	-77.7	31.1	175.5	-56.5	0	0	0	0	114	V250 D256	V250-S254 PolarHBondContact O-N 3.35Å; V250-S254 PolarHBondContact O-OG 3Å; S254-D256 PolarHBondContact O-N 3.11Å
255	G	39.3	Very low	47.4	Very low	50 Å²	50	107.6 Å²	107.6	52%	0.515	61%	0.613	S	S	.	*			trans	-82	63.9	-168.1	0	0	0	0	0	115.5	V253 S257	V253-G255 PolarHBondContact O-N 2.97Å; G255-S257 PolarHBondContact O-N 3.33Å; G255-S257 VanDerWaalsContact O-N 3.14Å; G255-S257 PolarHBondContact O-OG 3.07Å
256	D	36.8	Very low	46.1	Very low	154 Å²	154	110.9 Å²	110.9	82%	0.824	64%	0.639	S	S	*	*			trans	-61.2	114.3	171.3	-90.9	-37.2	0	0	0	111	S254 S258	S254-D256 PolarHBondContact O-N 3.11Å; D256-S258 VanDerWaalsContact C-N 3.31Å; D256-S258 PolarHBondContact O-N 2.77Å
257	S	32.3	Very low	44.6	Very low	128 Å²	128	116.7 Å²	116.7	90%	0.895	66%	0.662	S	S	*	*			trans	-85.7	63.8	-167.9	-62.9	0	0	0	0	112.3	G255	G255-S257 PolarHBondContact O-N 3.33Å; G255-S257 VanDerWaalsContact O-N 3.14Å; G255-S257 PolarHBondContact O-OG 3.07Å
258	S	31.9	Very low	42.6	Very low	111 Å²	111	121.4 Å²	121.4	78%	0.776	68%	0.678	S	S	*	*			trans	-148	67.6	-175.4	-165	0	0	0	0	115	D256	D256-S258 VanDerWaalsContact C-N 3.31Å; D256-S258 PolarHBondContact O-N 2.77Å
259	C	30.8	Very low	40.9	Very low	130 Å²	130	122.7 Å²	122.7	88%	0.878	70%	0.7	S	S	*	*			trans	-159.9	79.8	158.2	49.8	0	0	0	0	112.8
260	N	30.1	Very low	38.9	Very low	156 Å²	156	124.8 Å²	124.8	83%	0.834	72%	0.723	S	S	*	*			trans	-134.8	84.3	170.8	-153.8	-5.3	0	0	0	112
261	K	36.4	Very low	37.1	Very low	188 Å²	188	129 Å²	129	82%	0.817	74%	0.744	S	S	*	*	S	Bend	trans	-175.3	127.8	153.7	-101.8	146.2	-169	172.8	0	113.5
262	N	33.3	Very low	35.3	Very low	146 Å²	146	131.8 Å²	131.8	78%	0.781	75%	0.748	S	S	*	*			trans	73.5	101.7	148.9	-53.4	-5.2	0	0	0	119.6
263	P	33.9	Very low	33.4	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	77%	0.765	S	S	*	*			trans	-96.7	162.9	164.4	38	-33.1	0	0	0	113.1
264	P	30.8	Very low	31.9	Very low	120 Å²	120	139.9 Å²	139.9	78%	0.779	78%	0.775	S	S	*	*			trans	-120.8	102.9	148.2	33.4	-22.3	0	0	0	112.2
265	M	29.3	Very low	30.8	Very low	186 Å²	186	140.6 Å²	140.6	92%	0.916	78%	0.78	S	S	*	*				44.3	102.4	106	-171	169.8	-75.4	0	0	118.3
266	S	32.4	Very low	30.2	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	78%	0.776	S	S	*	*			trans	-152	103	157.1	179.8	0	0	0	0	111.9
267	Y	30.3	Very low	29.8	Very low	222 Å²	222	138.2 Å²	138.2	87%	0.871	76%	0.758	S	S	*	*			trans	50.4	94	158.1	-69.1	-83.6	0	0	0	120
268	Y	26.3	Very low	29.7	Very low	221 Å²	221	138.3 Å²	138.3	87%	0.867	75%	0.749	S	S	*	*			trans	-67.5	144.4	144.4	-88.2	-102.7	0	0	0	110.8	C270	Y268-C270 HydrophobicContact CD1-CB 4.41Å
269	S	30.7	Very low	29.5	Very low	126 Å²	126	143.1 Å²	143.1	88%	0.881	75%	0.752	S	S	*	*			trans	-138.3	113.1	140.4	-164.9	0	0	0	0	106.6
270	C	25.3	Very low	29.5	Very low	111 Å²	111	144.5 Å²	144.5	75%	0.75	75%	0.749	S	S	*	*			trans	-104.7	109.2	-170.5	-175.5	0	0	0	0	109.5	Y268	Y268-C270 HydrophobicContact CD1-CB 4.41Å
271	D	27.1	Very low	29.2	Very low	138 Å²	138	140.4 Å²	140.4	74%	0.738	74%	0.744	S	S	*	*			trans	-159.7	159.7	170.1	-137.4	-27.1	0	0	0	112.3
272	Q	30.3	Very low	29	Very low	143 Å²	143	140.1 Å²	140.1	67%	0.668	75%	0.751	S	S	*	*			trans	67	82.9	162.2	-59.3	170	46.5	0	0	120.7
273	N	25.9	Very low	28.7	Very low	145 Å²	145	136.3 Å²	136.3	78%	0.775	75%	0.746	S	S	*	*				71.2	-176.9	122.9	-66.5	-40	0	0	0	121.7
274	F	26	Very low	28.5	Very low	178 Å²	178	136 Å²	136	78%	0.781	75%	0.746	S	S	*	*			trans	77.8	90.5	174.8	-57.9	-80.2	0	0	0	116.1
275	S	27.9	Very low	28.5	Very low	73 Å²	73	135.9 Å²	135.9	51%	0.51	74%	0.744	S	S	.	*				68.9	133.9	67	-170.3	0	0	0	0	112.3	Y1026	S275-Y1026 VanDerWaalsContact C-CD1 3.48Å; S275-Y1026 WeakPolarHBondContact O-CD1 3.4Å; S275-Y1026 WeakPolarHBondContact O-CE1 3.45Å
276	F	26	Very low	28.7	Very low	99 Å²	99	133.7 Å²	133.7	43%	0.434	74%	0.736	S	S	.	*			cis	142.5	-16.7	6	-83.9	-83.2	0	0	0	112.9	Y1026 F1027	F276-Y1026 WeakPolarHBondContact CD1-O 3.49Å; F276-Y1026 AromaticContact CD2-CD1 3.62Å; F276-Y1026 HydrophobicContact CD2-CD1 3.62Å; F276-Y1026 AromaticContact CD2-CG 3.83Å; F276-Y1026 HydrophobicContact CD2-CG 3.83Å; F276-Y1026 WeakPolarHBondContact CD2-O 3.21Å; F276-Y1026 WeakPolarHBondContact CE1-O 3.38Å; F276-Y1026 WeakPolarHBondContact CE2-O 3.46Å; F276-Y1026 HydrophobicContact CG-CG 4.4Å; F276-Y1026 WeakPolarHBondContact CG-O 3.27Å; F276-Y1026 WeakPolarHBondContact CZ-O 3.09Å; F276-Y1026 VanDerWaalsContact N-CD1 3.33Å; F276-F1027 HydrophobicContact CB-CB 3.7Å; F276-F1027 HydrophobicContact CB-CD1 4.1Å; F276-F1027 HydrophobicContact CB-CD2 3.35Å; F276-F1027 HydrophobicContact CB-CE2 3.94Å; F276-F1027 HydrophobicContact CB-CG 3.42Å; F276-F1027 VanDerWaalsContact CB-CG 3.42Å; F276-F1027 HydrophobicContact CD1-CB 3.21Å; F276-F1027 HydrophobicContact CD1-CG 4.09Å; F276-F1027 WeakPolarHBondContact CD1-O 3.3Å; F276-F1027 HydrophobicContact CD2-CB 3.98Å; F276-F1027 AromaticContact CD2-CD1 3.45Å; F276-F1027 HydrophobicContact CD2-CD1 3.45Å; F276-F1027 VanDerWaalsContact CD2-CD1 3.45Å; F276-F1027 HydrophobicContact CD2-CE1 4.06Å; F276-F1027 AromaticContact CD2-CG 3.73Å; F276-F1027 HydrophobicContact CD2-CG 3.73Å; F276-F1027 HydrophobicContact CE1-CB 4.02Å; F276-F1027 WeakPolarHBondContact CE1-O 3.37Å; F276-F1027 HydrophobicContact CE2-CD1 4.31Å; F276-F1027 HydrophobicContact CG-CB 3.22Å; F276-F1027 AromaticContact CG-CD1 3.79Å; F276-F1027 HydrophobicContact CG-CD1 3.79Å; F276-F1027 AromaticContact CG-CD2 3.85Å; F276-F1027 HydrophobicContact CG-CD2 3.85Å; F276-F1027 AromaticContact CG-CG 3.32Å; F276-F1027 HydrophobicContact CG-CG 3.32Å
277	A	28	Very low	28.5	Very low	55 Å²	55	135.7 Å²	135.7	46%	0.455	74%	0.737	S	S	.	*			trans	-172.1	179.9	166	0	0	0	0	0	111.2
278	N	30.3	Very low	28.6	Very low	131 Å²	131	130.5 Å²	130.5	70%	0.701	73%	0.73	S	S	*	*			trans	85.1	89.3	157.8	-56.9	-9.8	0	0	0	119.3
279	Y	27.5	Very low	28.7	Very low	211 Å²	211	125.5 Å²	125.5	83%	0.827	72%	0.723	S	S	*	*	S	Bend	trans	-122.6	11.1	134.4	-127.7	-85.8	0	0	0	113.7
280	L	31.7	Very low	28.7	Very low	159 Å²	159	126.4 Å²	126.4	83%	0.832	72%	0.723	S	S	*	*	S	Bend	trans	-96.2	120.5	153	-71.7	173.5	0	0	0	106.6
281	G	24.9	Very low	29	Very low	70 Å²	70	125.2 Å²	125.2	72%	0.722	71%	0.714	S	S	*	*			trans	-105.5	124.3	178.5	0	0	0	0	0	111.5
282	L	30.4	Very low	29.3	Very low	183 Å²	183	127 Å²	127	96%	0.958	72%	0.716	S	S	*	*			trans	177.9	147.3	138.3	-91.5	158.7	0	0	0	108.1
283	G	27.2	Very low	29.6	Very low	66 Å²	66	127.5 Å²	127.5	68%	0.68	72%	0.718	S	S	*	*			trans	-90.1	-170.5	-172.5	0	0	0	0	0	114.6
284	S	30.9	Very low	29.8	Very low	113 Å²	113	126.8 Å²	126.8	79%	0.79	71%	0.714	S	S	*	*			cis	-159	-167.7	10.6	-74.6	0	0	0	0	111.3
285	T	30.3	Very low	30.4	Very low	119 Å²	119	124.4 Å²	124.4	73%	0.73	71%	0.714	S	S	*	*			trans	80.2	104.8	159.2	53.1	0	0	0	0	121.7
286	D	32.9	Very low	30.8	Very low	140 Å²	140	128.2 Å²	128.2	75%	0.749	72%	0.724	S	S	*	*				83.4	85.5	121.6	-49.4	-18.1	0	0	0	124.3
287	I	29.5	Very low	31.3	Very low	146 Å²	146	130 Å²	130	75%	0.749	74%	0.738	S	S	*	*				23.4	142.2	103.2	-59.6	174.9	0	0	0	117.2
288	P	31.3	Very low	31.9	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	75%	0.75	S	S	*	*			cis	-130.7	174.9	30.5	15.4	12.5	0	0	0	115.6
289	T	28.7	Very low	32.6	Very low	117 Å²	117	134.8 Å²	134.8	72%	0.718	76%	0.756	S	S	*	*			cis	94.8	117.3	29	-47.8	0	0	0	0	116.4
290	V	31.6	Very low	33.2	Very low	145 Å²	145	135.2 Å²	135.2	88%	0.879	76%	0.758	S	S	*	*			trans	173.1	162.3	150.3	142.4	0	0	0	0	110.4
291	C	30.5	Very low	34	Very low	85 Å²	85	135 Å²	135	57%	0.574	76%	0.757	S	S	*	*				-170.5	135.2	-65.1	-129.4	0	0	0	0	112.5
292	K	33.9	Very low	34.8	Very low	176 Å²	176	139.2 Å²	139.2	77%	0.765	76%	0.763	S	S	*	*			trans	68.1	168.8	153.6	-60.5	169.8	-179.5	176.2	0	117
293	Q	36.3	Very low	35.7	Very low	154 Å²	154	135.4 Å²	135.4	72%	0.72	75%	0.752	S	S	*	*			cis	-160	133.7	16.3	-148.5	148.8	-2.5	0	0	116
294	N	30.9	Very low	36.7	Very low	129 Å²	129	142.1 Å²	142.1	69%	0.69	77%	0.765	S	S	*	*			trans	64.1	167.6	140.2	-68.6	33.8	0	0	0	126
295	V	38.1	Very low	37.6	Very low	129 Å²	129	140 Å²	140	78%	0.782	76%	0.762	S	S	*	*			trans	78.8	98.9	179.5	-167	0	0	0	0	113.5
296	E	36.8	Very low	38.8	Very low	153 Å²	153	137.9 Å²	137.9	72%	0.715	75%	0.752	S	S	*	*			cis	90.6	122.9	46.9	-68.7	-178.5	179.7	0	0	114.3
297	N	35.1	Very low	40.2	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	76%	0.756	S	S	*	*			trans	70.9	143.5	155.6	-68.8	25.9	0	0	0	118.1
298	D	40.6	Very low	42.5	Very low	133 Å²	133	134.8 Å²	134.8	71%	0.711	73%	0.729	S	S	*	*			cis	-144.3	171.5	6.9	-86.6	-46.1	0	0	0	112.7
299	D	45.6	Very low	44.8	Very low	152 Å²	152	132.9 Å²	132.9	81%	0.813	71%	0.708	S	S	*	*			trans	73.9	161.8	154.1	-75.9	-33.1	0	0	0	123.2
300	Y	40.7	Very low	47.4	Very low	221 Å²	221	127.5 Å²	127.5	87%	0.867	68%	0.676	S	S	*	*			trans	-101	146.4	-160.6	-66.9	-109.8	0	0	0	113.9
301	D	47.6	Very low	49.6	Very low	153 Å²	153	126 Å²	126	82%	0.818	67%	0.666	S	S	*	*			trans	-150.1	138.7	142.3	-159.1	2.3	0	0	0	110.4
302	D	41.3	Very low	51.9	Low	160 Å²	160	124.5 Å²	124.5	86%	0.856	66%	0.655	S	S	*	*			trans	-100.1	117.4	-179.9	-110.5	-37.8	0	0	0	108.8
303	S	50.5	Low	54.1	Low	102 Å²	102	116.5 Å²	116.5	71%	0.713	62%	0.621	S	S	*	*			trans	-141.3	112.8	179.7	-84.5	0	0	0	0	112.3	G305	S303-G305 PolarHBondContact O-N 2.77Å
304	E	48	Very low	56.4	Low	207 Å²	207	113.8 Å²	113.8	97%	0.967	61%	0.607	S	S	*	*			trans	-67.3	98.4	177.6	-63.4	-174.8	121.8	0	0	111
305	G	48.9	Very low	58.6	Low	70 Å²	70	111.1 Å²	111.1	72%	0.722	59%	0.59	S	S	*	*			trans	-68.2	133	-179.1	0	0	0	0	0	113.5	S303 Q307	S303-G305 PolarHBondContact O-N 2.77Å; G305-Q307 PolarHBondContact O-N 2.7Å; G305-Q307 VanDerWaalsContact O-N 3.14Å
306	S	55.9	Low	60.7	Low	74 Å²	74	107 Å²	107	52%	0.517	56%	0.564	S	S	.	*			trans	-46.3	114.2	-176.6	-49.6	0	0	0	0	114.1	H308 D316	S306-H308 PolarHBondContact O-N 2.88Å; S306-D316 WeakPolarHBondContact CB-OD1 3.39Å; S306-D316 WeakPolarHBondContact CB-OD2 3.48Å; S306-D316 PolarHBondContact OG-OD2 2.72Å
307	Q	63	Low	62.8	Low	179 Å²	179	101 Å²	101	84%	0.836	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	1.2	-175	-162.5	171.5	-11.7	0	0	114.4	G305	G305-Q307 PolarHBondContact O-N 2.7Å; G305-Q307 VanDerWaalsContact O-N 3.14Å
308	H	76.8	Confident	64.6	Low	41 Å²	41	98.5 Å²	98.5	19%	0.19	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136	23	-163.1	-63.5	-25.5	0	0	0	114	S306 F317 E320 F323	S306-H308 PolarHBondContact O-N 2.88Å; H308-F317 HydrophobicContact CB-CB 4.31Å; H308-F317 WeakPolarHBondContact CB-O 3.45Å; H308-F317 WeakPolarHBondContact O-CD2 3.06Å; H308-E320 PolarHBondContact CD2-N 3.41Å; H308-E320 PolarHBondContact NE2-N 2.88Å; H308-F323 HydrophobicContact CB-CB 4.16Å; H308-F323 HydrophobicContact CB-CG 4.49Å; H308-F323 WeakPolarHBondContact O-CD2 3.48Å
309	Y	79.9	Confident	66.3	Low	73 Å²	73	95.9 Å²	95.9	29%	0.286	53%	0.531	S	S	.	.			trans	-80	131	179	170.6	-98	0	0	0	113.7	V311 D316 V1035	Y309-V311 HydrophobicContact CD1-CG2 4.21Å; Y309-V311 HydrophobicContact CE1-CB 4.38Å; Y309-V311 HydrophobicContact CE1-CG2 3.95Å; Y309-D316 HydrophobicContact CD2-CB 4.2Å; Y309-V1035 HydrophobicContact CE2-CG1 3.61Å; Y309-V1035 WeakPolarHBondContact OH-CG1 3.45Å
310	C	82.8	Confident	67.7	Low	5 Å²	5	94.5 Å²	94.5	3%	0.034	52%	0.52	C	S	.	.	B	Isolated β-bridge	trans	-95.3	109.5	175.6	-175.5	0	0	0	0	113	T312 C313 K314 Q315 F317 F323 H326 H332	C310-T312 PolarHBondContact O-N 3.29Å; C310-C313 HydrophobicContact CB-CB 4.42Å; C310-C313 PolarHBondContact O-N 2.86Å; C310-K314 PolarHBondContact O-N 2.86Å; C310-Q315 PolarHBondContact N-O 3.23Å; C310-Q315 PolarHBondContact O-N 3.32Å; C310-F317 HydrophobicContact CB-CD2 4.5Å; C310-F317 HydrophobicContact CB-CE2 3.95Å; C310-F323 HydrophobicContact CB-CD2 4.33Å; C310-F323 HydrophobicContact CB-CE2 3.96Å; C310-H326 VanDerWaalsContact SG-CD2 3.55Å; C310-H326 PolarHBondContact SG-NE2 3.17Å; C310-H332 VanDerWaalsContact SG-CE1 3.58Å; C310-H332 PolarHBondContact SG-ND1 2.91Å; C310-H332 VanDerWaalsContact SG-ND1 3.41Å
311	V	79.4	Confident	69	Low	113 Å²	113	93.1 Å²	93.1	69%	0.685	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-58.9	-47.9	178.5	-176.6	0	0	0	0	112.7	Y309 C313 K314	Y309-V311 HydrophobicContact CD1-CG2 4.21Å; Y309-V311 HydrophobicContact CE1-CB 4.38Å; Y309-V311 HydrophobicContact CE1-CG2 3.95Å; V311-C313 PolarHBondContact O-N 3.28Å; V311-K314 PolarHBondContact O-N 3.5Å
312	T	77.6	Confident	70.2	Confident	54 Å²	54	87.4 Å²	87.4	33%	0.331	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-62.6	-28.6	-176.4	-42.3	0	0	0	0	112.9	C310 R335	C310-T312 PolarHBondContact O-N 3.29Å; T312-R335 HydrophobicContact CG2-CB 4.11Å
313	C	81.1	Confident	72.1	Confident	8 Å²	8	82.2 Å²	82.2	5%	0.054	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-113.4	-2.9	-172.6	-66.1	0	0	0	0	114.2	C310 V311 Q315 H326 R335	C310-C313 HydrophobicContact CB-CB 4.42Å; C310-C313 PolarHBondContact O-N 2.86Å; V311-C313 PolarHBondContact O-N 3.28Å; C313-Q315 VanDerWaalsContact C-N 3.25Å; C313-Q315 PolarHBondContact O-N 3Å; C313-H326 WeakPolarHBondContact CB-CE1 3.25Å; C313-H326 WeakPolarHBondContact CB-NE2 3.49Å; C313-H326 PolarHBondContact SG-CE1 3.43Å; C313-H326 PolarHBondContact SG-NE2 3.36Å; C313-R335 PolarHBondContact O-NH1 2.92Å; C313-R335 VanDerWaalsContact O-NH1 3.08Å; C313-R335 PolarHBondContact SG-NE 3.12Å
314	K	83.1	Confident	73.3	Confident	97 Å²	97	79 Å²	79	42%	0.422	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	38.1	179	-70.3	175.6	167.5	-173.9	0	113.2	C310 V311 G1033 E1034 V1035	C310-K314 PolarHBondContact O-N 2.86Å; V311-K314 PolarHBondContact O-N 3.5Å; K314-G1033 WeakPolarHBondContact CE-O 3.46Å; K314-G1033 PolarHBondContact NZ-O 3.36Å; K314-E1034 WeakPolarHBondContact CE-O 3.48Å; K314-E1034 PolarHBondContact NZ-O 3.5Å; K314-V1035 HydrophobicContact CB-CG1 3.79Å; K314-V1035 HydrophobicContact CG-CG1 4.19Å
315	Q	77.7	Confident	74.4	Confident	73 Å²	73	74 Å²	74	34%	0.341	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-132	133.9	-172.7	-172	172.7	6.6	0	0	110.8	C310 C313 F317	C310-Q315 PolarHBondContact N-O 3.23Å; C310-Q315 PolarHBondContact O-N 3.32Å; C313-Q315 VanDerWaalsContact C-N 3.25Å; C313-Q315 PolarHBondContact O-N 3Å; Q315-F317 HydrophobicContact CB-CE2 3.82Å; Q315-F317 HydrophobicContact CB-CZ 3.89Å; Q315-F317 HydrophobicContact CG-CE1 4.06Å; Q315-F317 HydrophobicContact CG-CE2 3.75Å; Q315-F317 HydrophobicContact CG-CZ 3.45Å; Q315-F317 VanDerWaalsContact CG-CZ 3.45Å; Q315-F317 WeakPolarHBondContact O-CD2 3.31Å; Q315-F317 WeakPolarHBondContact O-CE2 3.43Å
316	D	81.8	Confident	76	Confident	42 Å²	42	71.4 Å²	71.4	23%	0.225	38%	0.38	C	S	.	.			trans	-96.3	155	174.5	-159.1	1.6	0	0	0	111.1	S306 Y309	S306-D316 WeakPolarHBondContact CB-OD1 3.39Å; S306-D316 WeakPolarHBondContact CB-OD2 3.48Å; S306-D316 PolarHBondContact OG-OD2 2.72Å; Y309-D316 HydrophobicContact CD2-CB 4.2Å
317	F	81.5	Confident	77.1	Confident	26 Å²	26	70.7 Å²	70.7	11%	0.114	37%	0.369	C	S	.	.			trans	-140.1	109.4	-171.2	-66.6	-82.5	0	0	0	111.4	H308 C310 Q315 T319 A322 F323 H326	H308-F317 HydrophobicContact CB-CB 4.31Å; H308-F317 WeakPolarHBondContact CB-O 3.45Å; H308-F317 WeakPolarHBondContact O-CD2 3.06Å; C310-F317 HydrophobicContact CB-CD2 4.5Å; C310-F317 HydrophobicContact CB-CE2 3.95Å; Q315-F317 HydrophobicContact CB-CE2 3.82Å; Q315-F317 HydrophobicContact CB-CZ 3.89Å; Q315-F317 HydrophobicContact CG-CE1 4.06Å; Q315-F317 HydrophobicContact CG-CE2 3.75Å; Q315-F317 HydrophobicContact CG-CZ 3.45Å; Q315-F317 VanDerWaalsContact CG-CZ 3.45Å; Q315-F317 WeakPolarHBondContact O-CD2 3.31Å; Q315-F317 WeakPolarHBondContact O-CE2 3.43Å; F317-T319 PolarHBondContact O-N 2.85Å; F317-A322 HydrophobicContact CB-CB 4.16Å; F317-A322 HydrophobicContact CD1-CB 3.95Å; F317-A322 HydrophobicContact CG-CB 4.47Å; F317-F323 HydrophobicContact CB-CB 4.03Å; F317-F323 HydrophobicContact CD2-CB 4.42Å; F317-F323 HydrophobicContact CD2-CD2 4.07Å; F317-F323 HydrophobicContact CG-CB 4.34Å; F317-H326 HydrophobicContact CD1-CB 4.38Å; F317-H326 HydrophobicContact CE1-CB 3.72Å; F317-H326 AromaticContact CE1-CG 3.95Å; F317-H326 HydrophobicContact CE2-CB 3.88Å; F317-H326 AromaticContact CE2-CD2 3.63Å; F317-H326 AromaticContact CE2-CG 3.53Å; F317-H326 HydrophobicContact CZ-CB 3.44Å; F317-H326 VanDerWaalsContact CZ-CB 3.44Å; F317-H326 AromaticContact CZ-CD2 3.76Å; F317-H326 AromaticContact CZ-CE1 3.95Å; F317-H326 AromaticContact CZ-CG 3.17Å; F317-H326 AromaticContact CZ-ND1 3.34Å; F317-H326 VanDerWaalsContact CZ-ND1 3.34Å; F317-H326 WeakPolarHBondContact CZ-ND1 3.38Å
318	G	72.9	Confident	77.1	Confident	86 Å²	86	65.1 Å²	65.1	89%	0.887	34%	0.34	S	S	*	.	S	Bend	trans	-63.6	6	-177.4	0	0	0	0	0	117.2
319	T	76.6	Confident	76.6	Confident	77 Å²	77	64.1 Å²	64.1	47%	0.472	34%	0.342	S	S	.	.	S	Bend	trans	-149.2	148	169.6	59.8	0	0	0	0	111.2	F317 R321 A322 F323	F317-T319 PolarHBondContact O-N 2.85Å; T319-R321 PolarHBondContact O-N 3.45Å; T319-A322 PolarHBondContact O-N 2.79Å; T319-A322 VanDerWaalsContact OG1-CB 3.31Å; T319-A322 WeakPolarHBondContact OG1-CB 3.08Å; T319-A322 PolarHBondContact OG1-N 3.31Å; T319-A322 VanDerWaalsContact OG1-N 3.15Å; T319-F323 PolarHBondContact O-N 2.71Å; T319-F323 VanDerWaalsContact O-N 3.1Å
320	E	73.8	Confident	75.6	Confident	123 Å²	123	64.4 Å²	64.4	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-55.4	-39	172.1	-169.6	-176	174.6	0	0	111.3	H308 A322 F323 M324	H308-E320 PolarHBondContact CD2-N 3.41Å; H308-E320 PolarHBondContact NE2-N 2.88Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-A322 PolarHBondContact O-N 2.98Å; E320-F323 PolarHBondContact O-N 2.92Å; E320-M324 HydrophobicContact CG-CG 4.1Å; E320-M324 VanDerWaalsContact O-CB 3.3Å; E320-M324 WeakPolarHBondContact O-CB 3.26Å; E320-M324 VanDerWaalsContact O-CG 3.27Å; E320-M324 WeakPolarHBondContact O-CG 3.45Å; E320-M324 PolarHBondContact O-N 3Å
321	R	69	Low	75	Confident	193 Å²	193	67.9 Å²	67.9	73%	0.728	37%	0.372	S	S	*	.	H	α-helix	trans	-58.9	-41.6	176.9	-174.5	173	179	143	-1.6	112.2	T319 L325	T319-R321 PolarHBondContact O-N 3.45Å; R321-L325 HydrophobicContact CG-CD1 4.3Å; R321-L325 WeakPolarHBondContact O-CB 3.04Å; R321-L325 VanDerWaalsContact O-CG 3.27Å; R321-L325 WeakPolarHBondContact O-CG 3.48Å; R321-L325 PolarHBondContact O-N 3.22Å
322	A	73.5	Confident	75	Confident	33 Å²	33	64 Å²	64	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-70.4	-39.9	176.9	0	0	0	0	0	112	F317 T319 E320 L325 H326	F317-A322 HydrophobicContact CB-CB 4.16Å; F317-A322 HydrophobicContact CD1-CB 3.95Å; F317-A322 HydrophobicContact CG-CB 4.47Å; T319-A322 PolarHBondContact O-N 2.79Å; T319-A322 VanDerWaalsContact OG1-CB 3.31Å; T319-A322 WeakPolarHBondContact OG1-CB 3.08Å; T319-A322 PolarHBondContact OG1-N 3.31Å; T319-A322 VanDerWaalsContact OG1-N 3.15Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-A322 PolarHBondContact O-N 2.98Å; A322-L325 PolarHBondContact O-N 2.99Å; A322-H326 VanDerWaalsContact O-CB 3.31Å; A322-H326 WeakPolarHBondContact O-CB 3.28Å; A322-H326 PolarHBondContact O-N 3.02Å
323	F	81.1	Confident	74.6	Confident	50 Å²	50	63.8 Å²	63.8	22%	0.219	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-44.2	172.7	177.9	-105	0	0	0	112.3	H308 C310 F317 T319 E320 H326 I327	H308-F323 HydrophobicContact CB-CB 4.16Å; H308-F323 HydrophobicContact CB-CG 4.49Å; H308-F323 WeakPolarHBondContact O-CD2 3.48Å; C310-F323 HydrophobicContact CB-CD2 4.33Å; C310-F323 HydrophobicContact CB-CE2 3.96Å; F317-F323 HydrophobicContact CB-CB 4.03Å; F317-F323 HydrophobicContact CD2-CB 4.42Å; F317-F323 HydrophobicContact CD2-CD2 4.07Å; F317-F323 HydrophobicContact CG-CB 4.34Å; T319-F323 PolarHBondContact O-N 2.71Å; T319-F323 VanDerWaalsContact O-N 3.1Å; E320-F323 PolarHBondContact O-N 2.92Å; F323-H326 WeakPolarHBondContact O-CB 3.36Å; F323-H326 PolarHBondContact O-N 3.07Å; F323-H326 VanDerWaalsContact O-N 3.17Å; F323-I327 HydrophobicContact CE1-CD1 4.35Å; F323-I327 HydrophobicContact CE1-CG2 4.4Å; F323-I327 HydrophobicContact CE2-CG2 4.17Å; F323-I327 HydrophobicContact CZ-CG2 4.1Å; F323-I327 PolarHBondContact O-N 3.2Å
324	M	74	Confident	73.9	Confident	34 Å²	34	68.5 Å²	68.5	17%	0.167	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-35.8	178.4	-74.3	-71	-79.9	0	0	112.8	K248 E320 I327 R328	K248-M324 HydrophobicContact CB-CE 4.23Å; E320-M324 HydrophobicContact CG-CG 4.1Å; E320-M324 VanDerWaalsContact O-CB 3.3Å; E320-M324 WeakPolarHBondContact O-CB 3.26Å; E320-M324 VanDerWaalsContact O-CG 3.27Å; E320-M324 WeakPolarHBondContact O-CG 3.45Å; E320-M324 PolarHBondContact O-N 3Å; M324-I327 HydrophobicContact SD-CD1 3.85Å; M324-R328 WeakPolarHBondContact O-CD 3.03Å; M324-R328 VanDerWaalsContact O-CG 3.25Å; M324-R328 WeakPolarHBondContact O-CG 3.4Å; M324-R328 PolarHBondContact O-N 2.97Å
325	L	71.6	Confident	73.5	Confident	102 Å²	102	68.2 Å²	68.2	53%	0.534	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-39.2	169.4	-75.3	168.1	0	0	0	111.4	R321 A322 R328 G329	R321-L325 HydrophobicContact CG-CD1 4.3Å; R321-L325 WeakPolarHBondContact O-CB 3.04Å; R321-L325 VanDerWaalsContact O-CG 3.27Å; R321-L325 WeakPolarHBondContact O-CG 3.48Å; R321-L325 PolarHBondContact O-N 3.22Å; A322-L325 PolarHBondContact O-N 2.99Å; L325-R328 PolarHBondContact O-N 3.46Å; L325-G329 PolarHBondContact O-N 3.32Å
326	H	83	Confident	73.3	Confident	17 Å²	17	66.7 Å²	66.7	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-63.6	-49.5	179.5	171.3	73.9	0	0	0	112.9	C310 C313 F317 A322 F323 R328 G329 H332	C310-H326 VanDerWaalsContact SG-CD2 3.55Å; C310-H326 PolarHBondContact SG-NE2 3.17Å; C313-H326 WeakPolarHBondContact CB-CE1 3.25Å; C313-H326 WeakPolarHBondContact CB-NE2 3.49Å; C313-H326 PolarHBondContact SG-CE1 3.43Å; C313-H326 PolarHBondContact SG-NE2 3.36Å; F317-H326 HydrophobicContact CD1-CB 4.38Å; F317-H326 HydrophobicContact CE1-CB 3.72Å; F317-H326 AromaticContact CE1-CG 3.95Å; F317-H326 HydrophobicContact CE2-CB 3.88Å; F317-H326 AromaticContact CE2-CD2 3.63Å; F317-H326 AromaticContact CE2-CG 3.53Å; F317-H326 HydrophobicContact CZ-CB 3.44Å; F317-H326 VanDerWaalsContact CZ-CB 3.44Å; F317-H326 AromaticContact CZ-CD2 3.76Å; F317-H326 AromaticContact CZ-CE1 3.95Å; F317-H326 AromaticContact CZ-CG 3.17Å; F317-H326 AromaticContact CZ-ND1 3.34Å; F317-H326 VanDerWaalsContact CZ-ND1 3.34Å; F317-H326 WeakPolarHBondContact CZ-ND1 3.38Å; A322-H326 VanDerWaalsContact O-CB 3.31Å; A322-H326 WeakPolarHBondContact O-CB 3.28Å; A322-H326 PolarHBondContact O-N 3.02Å; F323-H326 WeakPolarHBondContact O-CB 3.36Å; F323-H326 PolarHBondContact O-N 3.07Å; F323-H326 VanDerWaalsContact O-N 3.17Å; H326-R328 PolarHBondContact O-N 2.84Å; H326-G329 WeakPolarHBondContact O-CA 3.49Å; H326-G329 PolarHBondContact O-N 2.94Å; H326-H332 AromaticContact NE2-ND1 3.56Å; H326-H332 VanDerWaalsContact O-CB 3.25Å; H326-H332 WeakPolarHBondContact O-CB 3.36Å
327	I	78.8	Confident	72.5	Confident	59 Å²	59	67.6 Å²	67.6	30%	0.303	36%	0.363	S	S	.	.	H	α-helix	trans	-67.9	-22.6	-179	65.7	178.7	0	0	0	113.1	F323 M324 G329 H332	F323-I327 HydrophobicContact CE1-CD1 4.35Å; F323-I327 HydrophobicContact CE1-CG2 4.4Å; F323-I327 HydrophobicContact CE2-CG2 4.17Å; F323-I327 HydrophobicContact CZ-CG2 4.1Å; F323-I327 PolarHBondContact O-N 3.2Å; M324-I327 HydrophobicContact SD-CD1 3.85Å; I327-G329 VanDerWaalsContact C-N 3.31Å; I327-H332 PolarHBondContact O-CD2 2.91Å; I327-H332 VanDerWaalsContact O-CD2 3.32Å
328	R	62.1	Low	72	Confident	61 Å²	61	72.7 Å²	72.7	23%	0.23	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.7	169.8	-70.2	171.7	177	151.9	-1.7	113.2	M324 L325 H326	M324-R328 WeakPolarHBondContact O-CD 3.03Å; M324-R328 VanDerWaalsContact O-CG 3.25Å; M324-R328 WeakPolarHBondContact O-CG 3.4Å; M324-R328 PolarHBondContact O-N 2.97Å; L325-R328 PolarHBondContact O-N 3.46Å; H326-R328 PolarHBondContact O-N 2.84Å
329	G	66.6	Low	71.7	Confident	21 Å²	21	72.7 Å²	72.7	22%	0.216	37%	0.373	C	S	.	.	S	Bend	trans	-79.2	148.7	-173.3	0	0	0	0	0	114.2	L325 H326 I327 T331 H332 T333	L325-G329 PolarHBondContact O-N 3.32Å; H326-G329 WeakPolarHBondContact O-CA 3.49Å; H326-G329 PolarHBondContact O-N 2.94Å; I327-G329 VanDerWaalsContact C-N 3.31Å; G329-T331 PolarHBondContact O-N 3.22Å; G329-T331 VanDerWaalsContact O-N 3.16Å; G329-H332 PolarHBondContact O-N 3.23Å; G329-T333 PolarHBondContact O-N 3.08Å; G329-T333 PolarHBondContact O-OG1 3.45Å; G329-T333 VanDerWaalsContact O-OG1 3.09Å
330	V	59.7	Low	70.6	Confident	78 Å²	78	71.7 Å²	71.7	47%	0.473	37%	0.37	S	S	.	.	H	α-helix	trans	-54.7	-34.7	175.6	-175.4	0	0	0	0	111.7	F199 H332 T333 Q334	F199-V330 HydrophobicContact CD2-CG2 3.87Å; F199-V330 HydrophobicContact CE2-CG2 4.15Å; F199-V330 HydrophobicContact CG-CG2 4.28Å; V330-H332 VanDerWaalsContact C-N 3.34Å; V330-H332 PolarHBondContact O-N 3.36Å; V330-T333 PolarHBondContact O-N 3.47Å; V330-Q334 VanDerWaalsContact O-CB 3.28Å; V330-Q334 WeakPolarHBondContact O-CB 3.48Å; V330-Q334 PolarHBondContact O-N 2.77Å
331	T	70.9	Confident	69.2	Low	79 Å²	79	68.8 Å²	68.8	49%	0.485	37%	0.372	S	S	.	.	H	α-helix	trans	-72.8	-20.1	179.6	59.6	0	0	0	0	114.7	G329 R335	G329-T331 PolarHBondContact O-N 3.22Å; G329-T331 VanDerWaalsContact O-N 3.16Å; T331-R335 PolarHBondContact O-NE 2.95Å
332	H	78.1	Confident	68	Low	30 Å²	30	66 Å²	66	14%	0.139	37%	0.371	C	S	.	.	H	α-helix	trans	-84.7	-45.1	168.5	-178.8	85.2	0	0	0	110.5	C310 H326 I327 G329 V330 Q334 R335 T336	C310-H332 VanDerWaalsContact SG-CE1 3.58Å; C310-H332 PolarHBondContact SG-ND1 2.91Å; C310-H332 VanDerWaalsContact SG-ND1 3.41Å; H326-H332 AromaticContact NE2-ND1 3.56Å; H326-H332 VanDerWaalsContact O-CB 3.25Å; H326-H332 WeakPolarHBondContact O-CB 3.36Å; I327-H332 PolarHBondContact O-CD2 2.91Å; I327-H332 VanDerWaalsContact O-CD2 3.32Å; G329-H332 PolarHBondContact O-N 3.23Å; V330-H332 VanDerWaalsContact C-N 3.34Å; V330-H332 PolarHBondContact O-N 3.36Å; H332-Q334 PolarHBondContact O-N 3.07Å; H332-R335 PolarHBondContact O-N 3.19Å; H332-T336 PolarHBondContact NE2-OG1 3.02Å; H332-T336 WeakPolarHBondContact O-CB 3.2Å; H332-T336 PolarHBondContact O-N 3.39Å; H332-T336 PolarHBondContact O-OG1 3.48Å
333	T	69.5	Low	66.1	Low	51 Å²	51	71.5 Å²	71.5	31%	0.313	40%	0.395	S	S	.	.	H	α-helix	trans	-56.4	-49.5	177.4	-52.3	0	0	0	0	111.4	G329 V330 R335 T336 L337	G329-T333 PolarHBondContact O-N 3.08Å; G329-T333 PolarHBondContact O-OG1 3.45Å; G329-T333 VanDerWaalsContact O-OG1 3.09Å; V330-T333 PolarHBondContact O-N 3.47Å; T333-R335 PolarHBondContact O-N 3.42Å; T333-T336 WeakPolarHBondContact O-CB 3.17Å; T333-T336 PolarHBondContact O-N 3.32Å; T333-L337 HydrophobicContact CG2-CD1 4.27Å; T333-L337 WeakPolarHBondContact O-CG 3.45Å; T333-L337 PolarHBondContact O-N 3.33Å
334	Q	67.2	Low	64.1	Low	107 Å²	107	74.5 Å²	74.5	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-45.5	179.1	-175.9	-179.5	0.1	0	0	112.5	V330 H332 L337 Q338	V330-Q334 VanDerWaalsContact O-CB 3.28Å; V330-Q334 WeakPolarHBondContact O-CB 3.48Å; V330-Q334 PolarHBondContact O-N 2.77Å; H332-Q334 PolarHBondContact O-N 3.07Å; Q334-L337 PolarHBondContact O-N 3.18Å; Q334-Q338 WeakPolarHBondContact O-CB 3.44Å; Q334-Q338 VanDerWaalsContact O-CG 3.31Å; Q334-Q338 WeakPolarHBondContact O-CG 3.21Å; Q334-Q338 PolarHBondContact O-N 3Å
335	R	73.2	Confident	62.1	Low	91 Å²	91	82 Å²	82	34%	0.343	46%	0.455	S	S	.	.	H	α-helix	trans	-68.9	-34.2	177.3	-83.7	-177.6	-80.3	-173.9	-3.9	112.3	T312 C313 T331 H332 T333 S339	T312-R335 HydrophobicContact CG2-CB 4.11Å; C313-R335 PolarHBondContact O-NH1 2.92Å; C313-R335 VanDerWaalsContact O-NH1 3.08Å; C313-R335 PolarHBondContact SG-NE 3.12Å; T331-R335 PolarHBondContact O-NE 2.95Å; H332-R335 PolarHBondContact O-N 3.19Å; T333-R335 PolarHBondContact O-N 3.42Å; R335-S339 VanDerWaalsContact O-CB 3.25Å; R335-S339 WeakPolarHBondContact O-CB 3.14Å; R335-S339 PolarHBondContact O-N 3.39Å; R335-S339 PolarHBondContact O-OG 2.88Å; R335-S339 VanDerWaalsContact O-OG 3.09Å
336	T	74.4	Confident	60.3	Low	41 Å²	41	82.1 Å²	82.1	25%	0.252	46%	0.456	S	S	.	.	H	α-helix	trans	-61.4	-50.7	172.9	-60.7	0	0	0	0	110.6	H332 T333 Q338 S339 S340	H332-T336 PolarHBondContact NE2-OG1 3.02Å; H332-T336 WeakPolarHBondContact O-CB 3.2Å; H332-T336 PolarHBondContact O-N 3.39Å; H332-T336 PolarHBondContact O-OG1 3.48Å; T333-T336 WeakPolarHBondContact O-CB 3.17Å; T333-T336 PolarHBondContact O-N 3.32Å; T336-Q338 PolarHBondContact O-N 3.05Å; T336-S339 WeakPolarHBondContact CA-OG 3.26Å; T336-S339 CarbonylContact O-C 3.17Å; T336-S339 PolarHBondContact O-N 2.9Å; T336-S339 PolarHBondContact O-OG 3.47Å; T336-S340 WeakPolarHBondContact O-CB 3.3Å; T336-S340 PolarHBondContact O-N 2.84Å; T336-S340 PolarHBondContact O-OG 3.47Å
337	L	65	Low	58	Low	60 Å²	60	86.3 Å²	86.3	31%	0.314	49%	0.487	S	S	.	.	H	α-helix	trans	-56.6	-51.3	176.1	-70.4	168.1	0	0	0	111.5	L238 T333 Q334 S339 S340	L238-L337 HydrophobicContact CD1-CD2 4.41Å; L238-L337 HydrophobicContact CD2-CD2 3.88Å; T333-L337 HydrophobicContact CG2-CD1 4.27Å; T333-L337 WeakPolarHBondContact O-CG 3.45Å; T333-L337 PolarHBondContact O-N 3.33Å; Q334-L337 PolarHBondContact O-N 3.18Å; L337-S339 VanDerWaalsContact C-N 3.28Å; L337-S339 PolarHBondContact O-N 3.11Å; L337-S340 WeakPolarHBondContact O-CB 3.1Å; L337-S340 PolarHBondContact O-N 3.39Å
338	Q	71	Confident	55.8	Low	133 Å²	133	88.7 Å²	88.7	62%	0.621	51%	0.505	S	S	*	.	H	α-helix	trans	-59.5	-35.7	177.3	-72.2	173.4	-27.7	0	0	113	Q334 T336 S340	Q334-Q338 WeakPolarHBondContact O-CB 3.44Å; Q334-Q338 VanDerWaalsContact O-CG 3.31Å; Q334-Q338 WeakPolarHBondContact O-CG 3.21Å; Q334-Q338 PolarHBondContact O-N 3Å; T336-Q338 PolarHBondContact O-N 3.05Å; Q338-S340 VanDerWaalsContact C-N 3.34Å
339	S	66.7	Low	54.7	Low	86 Å²	86	91.7 Å²	91.7	60%	0.601	53%	0.529	S	S	*	.	H	α-helix	trans	-79.2	-12.1	177	71.6	0	0	0	0	114.7	R335 T336 L337	R335-S339 VanDerWaalsContact O-CB 3.25Å; R335-S339 WeakPolarHBondContact O-CB 3.14Å; R335-S339 PolarHBondContact O-N 3.39Å; R335-S339 PolarHBondContact O-OG 2.88Å; R335-S339 VanDerWaalsContact O-OG 3.09Å; T336-S339 WeakPolarHBondContact CA-OG 3.26Å; T336-S339 CarbonylContact O-C 3.17Å; T336-S339 PolarHBondContact O-N 2.9Å; T336-S339 PolarHBondContact O-OG 3.47Å; L337-S339 VanDerWaalsContact C-N 3.28Å; L337-S339 PolarHBondContact O-N 3.11Å
340	S	53.8	Low	53.4	Low	57 Å²	57	98.8 Å²	98.8	40%	0.399	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.9	-13.7	-175.2	-61.8	0	0	0	0	113.5	T336 L337 Q338 I342	T336-S340 WeakPolarHBondContact O-CB 3.3Å; T336-S340 PolarHBondContact O-N 2.84Å; T336-S340 PolarHBondContact O-OG 3.47Å; L337-S340 WeakPolarHBondContact O-CB 3.1Å; L337-S340 PolarHBondContact O-N 3.39Å; Q338-S340 VanDerWaalsContact C-N 3.34Å; S340-I342 PolarHBondContact O-N 3.23Å; S340-I342 VanDerWaalsContact O-N 3.17Å
341	G	43.8	Very low	52.1	Low	61 Å²	61	103.5 Å²	103.5	63%	0.629	58%	0.578	S	S	*	*			trans	69.4	6.4	176.2	0	0	0	0	0	115.8	N343	G341-N343 PolarHBondContact O-N 2.8Å
342	I	43.5	Very low	50.5	Low	136 Å²	136	107.9 Å²	107.9	70%	0.697	59%	0.593	S	S	*	*			trans	-81.2	68.9	-179.1	-46.7	-179.3	0	0	0	110	S340	S340-I342 PolarHBondContact O-N 3.23Å; S340-I342 VanDerWaalsContact O-N 3.17Å
343	N	33.8	Very low	48.9	Very low	147 Å²	147	111.2 Å²	111.2	79%	0.786	61%	0.612	S	S	*	*			trans	-104.5	132.5	163.9	-67.3	-11.5	0	0	0	107.8	G341	G341-N343 PolarHBondContact O-N 2.8Å
344	S	39.3	Very low	48	Very low	114 Å²	114	116.4 Å²	116.4	80%	0.797	63%	0.626	S	S	*	*			trans	69.4	120.8	-168.7	-162.9	0	0	0	0	115.2
345	F	31.7	Very low	46.9	Very low	192 Å²	192	117.1 Å²	117.1	84%	0.842	63%	0.629	S	S	*	*			trans	-116.7	121.3	154.4	178.9	-90.4	0	0	0	106.2	S347	F345-S347 PolarHBondContact O-N 3.47Å
346	D	34.2	Very low	46.4	Very low	103 Å²	103	117.7 Å²	117.7	55%	0.551	64%	0.643	S	S	*	*			trans	-70.5	123.7	-171.4	-167.8	-21.8	0	0	0	111.3	T348	D346-T348 WeakPolarHBondContact OD1-CB 3.1Å; D346-T348 VanDerWaalsContact OD1-CG2 3.3Å; D346-T348 WeakPolarHBondContact OD1-CG2 3.5Å; D346-T348 PolarHBondContact OD1-N 3.22Å; D346-T348 PolarHBondContact OD1-OG1 3.44Å
347	S	33.9	Very low	45.5	Very low	106 Å²	106	121.3 Å²	121.3	74%	0.741	66%	0.655	S	S	*	*			trans	-99.7	3.7	-174.2	-165	0	0	0	0	113.8	F345 V349	F345-S347 PolarHBondContact O-N 3.47Å; S347-V349 PolarHBondContact O-N 2.89Å
348	T	34.3	Very low	44.6	Very low	109 Å²	109	121.1 Å²	121.1	67%	0.669	65%	0.652	S	S	*	*			trans	-83.8	8.3	-163.3	58.4	0	0	0	0	116.5	D346	D346-T348 WeakPolarHBondContact OD1-CB 3.1Å; D346-T348 VanDerWaalsContact OD1-CG2 3.3Å; D346-T348 WeakPolarHBondContact OD1-CG2 3.5Å; D346-T348 PolarHBondContact OD1-N 3.22Å; D346-T348 PolarHBondContact OD1-OG1 3.44Å
349	V	38.6	Very low	43.6	Very low	123 Å²	123	119.9 Å²	119.9	75%	0.745	65%	0.646	S	S	*	*	S	Bend	trans	-107.9	17.5	-165.7	-160	0	0	0	0	114	S347	S347-V349 PolarHBondContact O-N 2.89Å
350	L	38.2	Very low	43.1	Very low	171 Å²	171	122 Å²	122	90%	0.895	65%	0.647	S	S	*	*	S	Bend	trans	-145.8	15.1	179.3	-131.4	108.5	0	0	0	117
351	E	33.8	Very low	43.5	Very low	176 Å²	176	124.2 Å²	124.2	82%	0.822	65%	0.647	S	S	*	*			trans	-86.7	123.8	172.4	-68	-170.8	166.1	0	0	111.7
352	E	36	Very low	43.6	Very low	171 Å²	171	122.9 Å²	122.9	80%	0.799	63%	0.625	S	S	*	*			trans	-164.4	137.8	141.2	-118.3	-179.4	-144.6	0	0	113.6	W354	E352-W354 PolarHBondContact O-N 3.3Å
353	N	46.3	Very low	44	Very low	101 Å²	101	122.4 Å²	122.4	54%	0.54	62%	0.618	S	S	.	*	S	Bend	trans	71.4	12.4	142.7	-143.4	-20.2	0	0	0	121.2	K357	N353-K357 PolarHBondContact O-NZ 2.78Å; N353-K357 WeakPolarHBondContact OD1-CE 3.34Å; N353-K357 PolarHBondContact OD1-NZ 2.88Å
354	W	50.4	Low	44.9	Very low	159 Å²	159	118.4 Å²	118.4	60%	0.602	60%	0.601	S	S	*	*	S	Bend	trans	-108.1	-42.6	169.2	82.3	-88.1	0	0	0	114.8	E352 V356 K357 H358	E352-W354 PolarHBondContact O-N 3.3Å; W354-V356 PolarHBondContact O-N 3.25Å; W354-K357 PolarHBondContact O-N 3.49Å; W354-H358 PolarHBondContact O-N 2.81Å
355	E	44	Very low	45.1	Very low	122 Å²	122	118.7 Å²	118.7	57%	0.57	59%	0.59	S	S	*	*	H	α-helix	trans	-67.2	-39.8	-173.2	-59.3	-166.7	167.7	0	0	113.1	K357 H358 H359	E355-K357 VanDerWaalsContact C-N 3.32Å; E355-K357 PolarHBondContact O-N 2.96Å; E355-H358 PolarHBondContact O-N 3.09Å; E355-H359 PolarHBondContact O-N 3.09Å
356	V	61	Low	45.7	Very low	103 Å²	103	115.3 Å²	115.3	62%	0.624	57%	0.572	S	S	*	*	H	α-helix	trans	-57.1	-45.2	177.2	-178.6	0	0	0	0	111.1	W354 H358 H359 E360	W354-V356 PolarHBondContact O-N 3.25Å; V356-H358 PolarHBondContact O-N 3.17Å; V356-H359 PolarHBondContact O-N 3.41Å; V356-E360 WeakPolarHBondContact O-CB 3.38Å; V356-E360 PolarHBondContact O-N 2.7Å
357	K	56.2	Low	46	Very low	118 Å²	118	117.5 Å²	117.5	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-65.8	-38	179.5	-69.5	174.5	-177.2	139.3	0	112.5	N353 W354 E355 H359 W361	N353-K357 PolarHBondContact O-NZ 2.78Å; N353-K357 WeakPolarHBondContact OD1-CE 3.34Å; N353-K357 PolarHBondContact OD1-NZ 2.88Å; W354-K357 PolarHBondContact O-N 3.49Å; E355-K357 VanDerWaalsContact C-N 3.32Å; E355-K357 PolarHBondContact O-N 2.96Å; K357-H359 VanDerWaalsContact C-N 3.35Å; K357-W361 VanDerWaalsContact O-CB 3.27Å; K357-W361 WeakPolarHBondContact O-CB 3.45Å; K357-W361 PolarHBondContact O-N 2.98Å
358	H	46.3	Very low	46.2	Very low	55 Å²	55	119.8 Å²	119.8	26%	0.255	59%	0.588	S	S	.	*	H	α-helix	trans	-65.3	-39.6	173.7	176.4	-100.3	0	0	0	111.3	W354 E355 V356 L362 N400	W354-H358 PolarHBondContact O-N 2.81Å; E355-H358 PolarHBondContact O-N 3.09Å; V356-H358 PolarHBondContact O-N 3.17Å; H358-L362 WeakPolarHBondContact O-CB 3.43Å; H358-L362 WeakPolarHBondContact O-CG 3.21Å; H358-L362 PolarHBondContact O-N 3.3Å; H358-N400 PolarHBondContact CE1-OD1 2.88Å
359	H	50.2	Low	46.2	Very low	107 Å²	107	117.9 Å²	117.9	50%	0.495	59%	0.59	S	S	.	*	H	α-helix	trans	-72.5	-35.3	178.5	-158.2	74.8	0	0	0	113	E355 V356 K357 L362 K363	E355-H359 PolarHBondContact O-N 3.09Å; V356-H359 PolarHBondContact O-N 3.41Å; K357-H359 VanDerWaalsContact C-N 3.35Å; H359-L362 PolarHBondContact O-N 2.67Å; H359-K363 WeakPolarHBondContact O-CG 3.33Å; H359-K363 PolarHBondContact O-N 3.48Å
360	E	55.5	Low	46.1	Very low	132 Å²	132	119.9 Å²	119.9	62%	0.617	60%	0.595	S	S	*	*	H	α-helix	trans	-70.8	-41.4	174.4	-169.6	168	-130.2	0	0	111.8	V356 K363 S364	V356-E360 WeakPolarHBondContact O-CB 3.38Å; V356-E360 PolarHBondContact O-N 2.7Å; E360-K363 PolarHBondContact O-N 3.48Å; E360-S364 PolarHBondContact O-N 2.87Å
361	W	63.4	Low	45.8	Very low	103 Å²	103	119.6 Å²	119.6	39%	0.39	59%	0.594	S	S	.	*	H	α-helix	trans	-59.9	-45.2	169.8	175	82.4	0	0	0	111.8	K357 K363 S364 Q365	K357-W361 VanDerWaalsContact O-CB 3.27Å; K357-W361 WeakPolarHBondContact O-CB 3.45Å; K357-W361 PolarHBondContact O-N 2.98Å; W361-K363 VanDerWaalsContact C-N 3.35Å; W361-K363 PolarHBondContact O-N 3.43Å; W361-S364 WeakPolarHBondContact O-CB 3.46Å; W361-S364 PolarHBondContact O-N 2.94Å; W361-S364 VanDerWaalsContact O-N 3.09Å; W361-S364 PolarHBondContact O-OG 2.92Å; W361-Q365 PolarHBondContact O-N 2.78Å
362	L	45.4	Very low	45.9	Very low	33 Å²	33	116.1 Å²	116.1	17%	0.173	59%	0.59	C	S	.	*	H	α-helix	trans	-56.9	-46.8	174.2	-79.5	170.6	0	0	0	111.5	H358 H359 S364 Q365 Y366	H358-L362 WeakPolarHBondContact O-CB 3.43Å; H358-L362 WeakPolarHBondContact O-CG 3.21Å; H358-L362 PolarHBondContact O-N 3.3Å; H359-L362 PolarHBondContact O-N 2.67Å; L362-S364 PolarHBondContact O-N 3.19Å; L362-Q365 PolarHBondContact O-N 3.41Å; L362-Q365 VanDerWaalsContact O-N 3.12Å; L362-Y366 WeakPolarHBondContact O-CD2 3.35Å
363	K	51.3	Low	45.9	Very low	126 Å²	126	115 Å²	115	55%	0.548	59%	0.588	S	S	.	*	H	α-helix	trans	-59.4	-32.3	176.5	-76.3	177.2	172	178.3	0	112.9	H359 E360 W361 Q365 Y366	H359-K363 WeakPolarHBondContact O-CG 3.33Å; H359-K363 PolarHBondContact O-N 3.48Å; E360-K363 PolarHBondContact O-N 3.48Å; W361-K363 VanDerWaalsContact C-N 3.35Å; W361-K363 PolarHBondContact O-N 3.43Å; K363-Q365 VanDerWaalsContact C-N 3.3Å; K363-Q365 PolarHBondContact O-N 2.93Å; K363-Y366 PolarHBondContact O-N 2.82Å
364	S	53.5	Low	45.5	Very low	63 Å²	63	117.2 Å²	117.2	44%	0.441	60%	0.604	S	S	.	*	H	α-helix	trans	-66.7	-26.6	176.9	79.8	0	0	0	0	114.3	E360 W361 L362	E360-S364 PolarHBondContact O-N 2.87Å; W361-S364 WeakPolarHBondContact O-CB 3.46Å; W361-S364 PolarHBondContact O-N 2.94Å; W361-S364 VanDerWaalsContact O-N 3.09Å; W361-S364 PolarHBondContact O-OG 2.92Å; L362-S364 PolarHBondContact O-N 3.19Å
365	Q	43.3	Very low	44.5	Very low	120 Å²	120	113 Å²	113	56%	0.561	61%	0.611	S	S	*	*	H	α-helix	trans	-77.5	-21.6	-179.4	-58.6	-61	-29.4	0	0	113.3	W361 L362 K363	W361-Q365 PolarHBondContact O-N 2.78Å; L362-Q365 PolarHBondContact O-N 3.41Å; L362-Q365 VanDerWaalsContact O-N 3.12Å; K363-Q365 VanDerWaalsContact C-N 3.3Å; K363-Q365 PolarHBondContact O-N 2.93Å
366	Y	44.3	Very low	43.9	Very low	120 Å²	120	115.6 Å²	115.6	47%	0.471	63%	0.627	S	S	.	*	S	Bend	trans	-97.7	-5.7	-169.4	-82.3	-75.4	0	0	0	115.7	L362 K363 L399	L362-Y366 WeakPolarHBondContact O-CD2 3.35Å; K363-Y366 PolarHBondContact O-N 2.82Å; Y366-L399 WeakPolarHBondContact OH-CD1 3.25Å
367	L	40.2	Very low	43	Very low	150 Å²	150	115.9 Å²	115.9	79%	0.785	63%	0.634	S	S	*	*	S	Bend	trans	-113.4	-1.7	-170.7	-88.4	166.6	0	0	0	115.9
368	N	38.9	Very low	42.6	Very low	154 Å²	154	113.7 Å²	113.7	82%	0.824	65%	0.645	S	S	*	*	S	Bend	trans	-111	80.8	-178.5	-82.7	-47.4	0	0	0	113.4
369	G	33.4	Very low	43.5	Very low	69 Å²	69	113.3 Å²	113.3	71%	0.711	65%	0.649	S	S	*	*	S	Bend	trans	87.8	87.9	146.1	0	0	0	0	0	118.1
370	L	37.1	Very low	44.8	Very low	165 Å²	165	112.1 Å²	112.1	86%	0.864	64%	0.642	S	S	*	*				-164.5	76.6	124.6	-106.6	163.4	0	0	0	111.8
371	N	30.7	Very low	45.9	Very low	164 Å²	164	111.7 Å²	111.7	88%	0.877	64%	0.636	S	S	*	*			trans	-75.4	141.6	151.8	-97.7	-29.6	0	0	0	108.4
372	S	35.5	Very low	46.9	Very low	103 Å²	103	107.1 Å²	107.1	72%	0.72	62%	0.619	S	S	*	*			trans	103	146.7	174	-158.4	0	0	0	0	117
373	I	37.8	Very low	48.6	Very low	149 Å²	149	111.4 Å²	111.4	76%	0.764	64%	0.639	S	S	*	*			trans	74.8	68.3	175.8	-41.3	-173.8	0	0	0	116.5
374	V	36.2	Very low	50.1	Low	146 Å²	146	107.3 Å²	107.3	89%	0.885	62%	0.623	S	S	*	*				42.6	118.2	123.9	-176.6	0	0	0	0	118.6
375	G	30.4	Very low	51.5	Low	72 Å²	72	104.5 Å²	104.5	74%	0.742	60%	0.602	S	S	*	*			trans	158.9	48.7	154.4	0	0	0	0	0	121.9
376	L	32.1	Very low	53.4	Low	175 Å²	175	104.5 Å²	104.5	92%	0.916	60%	0.602	S	S	*	*			trans	44.6	84.7	154.1	-63.7	170.6	0	0	0	119.1
377	S	41.4	Very low	55.1	Low	109 Å²	109	99.6 Å²	99.6	76%	0.762	59%	0.585	S	S	*	*			trans	-173.1	141	133.7	-84	0	0	0	0	111	S379	S377-S379 PolarHBondContact O-N 2.68Å
378	G	47.6	Very low	57.2	Low	73 Å²	73	98 Å²	98	75%	0.753	57%	0.574	S	S	*	*			trans	-81.2	45.3	-174.1	0	0	0	0	0	114.9
379	S	66.2	Low	59.2	Low	46 Å²	46	92.1 Å²	92.1	32%	0.322	54%	0.541	S	S	.	.			trans	-107.7	147.3	-179	61.2	0	0	0	0	112.7	S377 E388 F389	S377-S379 PolarHBondContact O-N 2.68Å; S379-E388 WeakPolarHBondContact CB-OE1 3.35Å; S379-E388 PolarHBondContact OG-OE1 2.82Å; S379-F389 WeakPolarHBondContact CA-O 3.31Å
380	F	77.5	Confident	61.3	Low	82 Å²	82	94.4 Å²	94.4	36%	0.36	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.3	-178	-70.8	-98.4	0	0	0	109	E388 F389 H392 L395	F380-E388 CarbonylContact O-C 3.58Å; F380-E388 WeakPolarHBondContact O-CA 3.43Å; F380-F389 HydrophobicContact CB-CB 4.32Å; F380-F389 PolarHBondContact N-O 3.19Å; F380-F389 WeakPolarHBondContact O-CB 3.41Å; F380-F389 WeakPolarHBondContact O-CD2 3.45Å; F380-F389 PolarHBondContact O-N 3.45Å; F380-H392 HydrophobicContact CD1-CB 4.07Å; F380-H392 VanDerWaalsContact CD2-N 3.31Å; F380-H392 HydrophobicContact CE1-CB 3.64Å; F380-H392 AromaticContact CE1-CD2 3.91Å; F380-H392 HydrophobicContact CE2-CB 4.2Å; F380-H392 VanDerWaalsContact CE2-N 3.35Å; F380-H392 HydrophobicContact CZ-CB 3.72Å; F380-L395 HydrophobicContact CB-CB 3.93Å; F380-L395 HydrophobicContact CB-CD2 3.97Å; F380-L395 HydrophobicContact CD1-CD2 4.3Å
381	Y	77.9	Confident	63.2	Low	124 Å²	124	88.7 Å²	88.7	49%	0.486	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.5	-173	-176.4	-108.2	0	0	0	112.6	E383 V387 E388	Y381-E383 HydrophobicContact CD1-CG 4.06Å; Y381-E383 HydrophobicContact CE1-CB 4.34Å; Y381-E383 HydrophobicContact CE1-CG 3.94Å; Y381-V387 CarbonylContact C-O 3.49Å; Y381-V387 WeakPolarHBondContact CA-O 3.31Å; Y381-E388 HydrophobicContact CD2-CB 4.39Å
382	C	84.2	Confident	65.4	Low	6 Å²	6	85.8 Å²	85.8	4%	0.041	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	109	172.1	178.4	0	0	0	0	110.6	L384 C385 E386 V387 F389 L395 H398 H404	C382-L384 VanDerWaalsContact C-N 3.33Å; C382-L384 PolarHBondContact O-N 3.39Å; C382-C385 HydrophobicContact CB-CB 4.44Å; C382-C385 PolarHBondContact O-N 2.87Å; C382-E386 WeakPolarHBondContact O-CA 3.37Å; C382-E386 PolarHBondContact O-N 3.43Å; C382-V387 PolarHBondContact N-O 2.85Å; C382-V387 PolarHBondContact O-N 3.44Å; C382-F389 HydrophobicContact CB-CE2 4.08Å; C382-L395 HydrophobicContact CB-CD1 3.79Å; C382-H398 PolarHBondContact SG-NE2 3.25Å; C382-H404 VanDerWaalsContact SG-CE1 3.55Å; C382-H404 PolarHBondContact SG-ND1 3.41Å; C382-H404 VanDerWaalsContact SG-ND1 3.45Å
383	E	80.5	Confident	67.5	Low	124 Å²	124	89.6 Å²	89.6	58%	0.579	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-31.1	-177.4	-61.7	-164.4	-167.5	0	0	114.5	Y381 C385 R417	Y381-E383 HydrophobicContact CD1-CG 4.06Å; Y381-E383 HydrophobicContact CE1-CB 4.34Å; Y381-E383 HydrophobicContact CE1-CG 3.94Å; E383-C385 VanDerWaalsContact C-N 3.29Å; E383-C385 PolarHBondContact O-N 2.94Å; E383-R417 PolarHBondContact O-NH1 3.1Å; E383-R417 IonicContact OE2-NH2 3.59Å
384	L	83.1	Confident	69.6	Low	40 Å²	40	83.9 Å²	83.9	21%	0.209	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.2	-178.9	-65.7	179.8	0	0	0	114	C382 N407 V408 F411	C382-L384 VanDerWaalsContact C-N 3.33Å; C382-L384 PolarHBondContact O-N 3.39Å; L384-N407 PolarHBondContact O-ND2 2.93Å; L384-V408 HydrophobicContact CD1-CG2 3.75Å; L384-F411 HydrophobicContact CD2-CB 4.4Å; L384-F411 HydrophobicContact CD2-CD1 3.59Å; L384-F411 HydrophobicContact CD2-CD2 4.41Å; L384-F411 HydrophobicContact CD2-CE1 3.91Å; L384-F411 HydrophobicContact CD2-CG 3.88Å; L384-F411 HydrophobicContact CD2-CZ 4.46Å
385	C	82.5	Confident	72	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.02	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-8.7	-177.7	-63.8	0	0	0	0	113.4	C382 E383 V387 H398 H404 N407	C382-C385 HydrophobicContact CB-CB 4.44Å; C382-C385 PolarHBondContact O-N 2.87Å; E383-C385 VanDerWaalsContact C-N 3.29Å; E383-C385 PolarHBondContact O-N 2.94Å; C385-V387 VanDerWaalsContact C-N 3.28Å; C385-V387 HydrophobicContact CB-CG2 3.93Å; C385-V387 WeakPolarHBondContact O-CG2 3.5Å; C385-V387 PolarHBondContact O-N 3.34Å; C385-H398 VanDerWaalsContact CB-CE1 3.49Å; C385-H398 WeakPolarHBondContact CB-CE1 3.47Å; C385-H398 WeakPolarHBondContact CB-NE2 3.43Å; C385-H398 PolarHBondContact SG-CE1 2.92Å; C385-H398 PolarHBondContact SG-NE2 3.5Å; C385-H404 PolarHBondContact SG-ND1 3.38Å; C385-H404 VanDerWaalsContact SG-ND1 3.39Å; C385-N407 PolarHBondContact SG-ND2 3.34Å
386	E	84.1	Confident	74.5	Confident	120 Å²	120	75 Å²	75	56%	0.561	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	45.3	-174.2	-55	-175.5	170.8	0	0	111.8	C382	C382-E386 WeakPolarHBondContact O-CA 3.37Å; C382-E386 PolarHBondContact O-N 3.43Å
387	V	80.4	Confident	77	Confident	18 Å²	18	70.6 Å²	70.6	11%	0.109	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.9	-179.5	-172.6	0	0	0	0	111.7	Y381 C382 C385 F389 K423	Y381-V387 CarbonylContact C-O 3.49Å; Y381-V387 WeakPolarHBondContact CA-O 3.31Å; C382-V387 PolarHBondContact N-O 2.85Å; C382-V387 PolarHBondContact O-N 3.44Å; C385-V387 VanDerWaalsContact C-N 3.28Å; C385-V387 HydrophobicContact CB-CG2 3.93Å; C385-V387 WeakPolarHBondContact O-CG2 3.5Å; C385-V387 PolarHBondContact O-N 3.34Å; V387-F389 HydrophobicContact CB-CD2 4.46Å; V387-F389 HydrophobicContact CB-CE1 4.44Å; V387-F389 HydrophobicContact CB-CE2 3.6Å; V387-F389 HydrophobicContact CB-CZ 3.55Å; V387-F389 HydrophobicContact CG1-CD1 4.12Å; V387-F389 HydrophobicContact CG1-CD2 4.06Å; V387-F389 HydrophobicContact CG1-CE1 3.5Å; V387-F389 VanDerWaalsContact CG1-CE1 3.5Å; V387-F389 HydrophobicContact CG1-CE2 3.43Å; V387-F389 VanDerWaalsContact CG1-CE2 3.43Å; V387-F389 HydrophobicContact CG1-CG 4.35Å; V387-F389 HydrophobicContact CG1-CZ 3.08Å; V387-F389 HydrophobicContact CG2-CZ 4.46Å; V387-F389 WeakPolarHBondContact O-CD2 3.44Å; V387-F389 VanDerWaalsContact O-CE2 3.26Å; V387-F389 WeakPolarHBondContact O-CE2 3.4Å; V387-K423 HydrophobicContact CG2-CD 4.09Å; V387-K423 HydrophobicContact CG2-CG 3.94Å
388	E	83.2	Confident	79.1	Confident	116 Å²	116	66.9 Å²	66.9	54%	0.542	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.5	161.8	-173.1	177.7	-155.7	0	0	111.5	S379 F380 Y381	S379-E388 WeakPolarHBondContact CB-OE1 3.35Å; S379-E388 PolarHBondContact OG-OE1 2.82Å; F380-E388 CarbonylContact O-C 3.58Å; F380-E388 WeakPolarHBondContact O-CA 3.43Å; Y381-E388 HydrophobicContact CD2-CB 4.39Å
389	F	82.4	Confident	81	Confident	30 Å²	30	64.6 Å²	64.6	13%	0.132	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.6	-176.5	-64.2	-79.3	0	0	0	111.7	S379 F380 C382 V387 S391 A394 L395 H398	S379-F389 WeakPolarHBondContact CA-O 3.31Å; F380-F389 HydrophobicContact CB-CB 4.32Å; F380-F389 PolarHBondContact N-O 3.19Å; F380-F389 WeakPolarHBondContact O-CB 3.41Å; F380-F389 WeakPolarHBondContact O-CD2 3.45Å; F380-F389 PolarHBondContact O-N 3.45Å; C382-F389 HydrophobicContact CB-CE2 4.08Å; V387-F389 HydrophobicContact CB-CD2 4.46Å; V387-F389 HydrophobicContact CB-CE1 4.44Å; V387-F389 HydrophobicContact CB-CE2 3.6Å; V387-F389 HydrophobicContact CB-CZ 3.55Å; V387-F389 HydrophobicContact CG1-CD1 4.12Å; V387-F389 HydrophobicContact CG1-CD2 4.06Å; V387-F389 HydrophobicContact CG1-CE1 3.5Å; V387-F389 VanDerWaalsContact CG1-CE1 3.5Å; V387-F389 HydrophobicContact CG1-CE2 3.43Å; V387-F389 VanDerWaalsContact CG1-CE2 3.43Å; V387-F389 HydrophobicContact CG1-CG 4.35Å; V387-F389 HydrophobicContact CG1-CZ 3.08Å; V387-F389 HydrophobicContact CG2-CZ 4.46Å; V387-F389 WeakPolarHBondContact O-CD2 3.44Å; V387-F389 VanDerWaalsContact O-CE2 3.26Å; V387-F389 WeakPolarHBondContact O-CE2 3.4Å; F389-S391 VanDerWaalsContact C-N 3.26Å; F389-S391 PolarHBondContact O-N 3.27Å; F389-A394 HydrophobicContact CB-CB 4.03Å; F389-A394 HydrophobicContact CD1-CB 3.96Å; F389-A394 HydrophobicContact CG-CB 4.33Å; F389-L395 HydrophobicContact CB-CB 4.45Å; F389-L395 HydrophobicContact CD2-CB 4Å; F389-L395 HydrophobicContact CD2-CD1 3.72Å; F389-L395 HydrophobicContact CD2-CG 4.47Å; F389-L395 HydrophobicContact CE2-CD1 3.77Å; F389-L395 HydrophobicContact CG-CB 4.34Å; F389-H398 HydrophobicContact CE1-CB 3.62Å; F389-H398 AromaticContact CE1-CG 4Å; F389-H398 HydrophobicContact CE2-CB 3.84Å; F389-H398 AromaticContact CE2-CD2 3.56Å; F389-H398 AromaticContact CE2-CG 3.67Å; F389-H398 HydrophobicContact CZ-CB 3.19Å; F389-H398 AromaticContact CZ-CD2 3.5Å; F389-H398 VanDerWaalsContact CZ-CD2 3.5Å; F389-H398 WeakPolarHBondContact CZ-CD2 3.45Å; F389-H398 AromaticContact CZ-CG 3.12Å; F389-H398 AromaticContact CZ-ND1 3.58Å
390	P	76.3	Confident	81.9	Confident	117 Å²	117	65.8 Å²	65.8	76%	0.76	34%	0.34	S	S	*	.	S	Bend	trans	-79.7	2.4	-179.8	33.7	-37.4	0	0	0	114.5
391	S	77.8	Confident	82.1	Confident	46 Å²	46	63.2 Å²	63.2	32%	0.322	34%	0.336	S	S	.	.	S	Bend	trans	-162.9	157.6	176.2	65.1	0	0	0	0	113	F389 K393 A394 L395	F389-S391 VanDerWaalsContact C-N 3.26Å; F389-S391 PolarHBondContact O-N 3.27Å; S391-K393 VanDerWaalsContact C-N 3.27Å; S391-K393 PolarHBondContact O-N 2.92Å; S391-A394 PolarHBondContact O-N 2.91Å; S391-A394 VanDerWaalsContact O-N 3.13Å; S391-A394 WeakPolarHBondContact OG-CB 3.42Å; S391-A394 PolarHBondContact OG-N 3.04Å; S391-L395 PolarHBondContact O-N 3.34Å
392	H	77	Confident	82.4	Confident	103 Å²	103	67.8 Å²	67.8	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-57.8	-38.1	172.6	-172.9	-126.6	0	0	0	112.4	F380 A394 L395 G396	F380-H392 HydrophobicContact CD1-CB 4.07Å; F380-H392 VanDerWaalsContact CD2-N 3.31Å; F380-H392 HydrophobicContact CE1-CB 3.64Å; F380-H392 AromaticContact CE1-CD2 3.91Å; F380-H392 HydrophobicContact CE2-CB 4.2Å; F380-H392 VanDerWaalsContact CE2-N 3.35Å; F380-H392 HydrophobicContact CZ-CB 3.72Å; H392-A394 VanDerWaalsContact C-N 3.33Å; H392-A394 PolarHBondContact O-N 2.95Å; H392-L395 PolarHBondContact O-N 2.74Å; H392-G396 PolarHBondContact O-N 3.36Å
393	K	79.4	Confident	82.3	Confident	182 Å²	182	72.9 Å²	72.9	79%	0.791	37%	0.371	S	S	*	.	H	α-helix	trans	-65	-35.7	177.2	-171	172.5	-178.3	176.9	0	112.2	S391 S397	S391-K393 VanDerWaalsContact C-N 3.27Å; S391-K393 PolarHBondContact O-N 2.92Å; K393-S397 VanDerWaalsContact O-CB 3.29Å; K393-S397 WeakPolarHBondContact O-CB 3.29Å; K393-S397 PolarHBondContact O-N 2.83Å
394	A	82.1	Confident	82.6	Confident	30 Å²	30	67.7 Å²	67.7	25%	0.248	35%	0.347	C	S	.	.	H	α-helix	trans	-69.6	-40.3	174.1	0	0	0	0	0	112	F389 S391 H392 H398	F389-A394 HydrophobicContact CB-CB 4.03Å; F389-A394 HydrophobicContact CD1-CB 3.96Å; F389-A394 HydrophobicContact CG-CB 4.33Å; S391-A394 PolarHBondContact O-N 2.91Å; S391-A394 VanDerWaalsContact O-N 3.13Å; S391-A394 WeakPolarHBondContact OG-CB 3.42Å; S391-A394 PolarHBondContact OG-N 3.04Å; H392-A394 VanDerWaalsContact C-N 3.33Å; H392-A394 PolarHBondContact O-N 2.95Å; A394-H398 WeakPolarHBondContact O-CB 3.43Å; A394-H398 PolarHBondContact O-N 3.27Å
395	L	85.5	Confident	82.7	Confident	8 Å²	8	71.3 Å²	71.3	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-51.1	171.3	176.8	63.7	0	0	0	111.4	F380 C382 F389 S391 H392 S397 H398 L399	F380-L395 HydrophobicContact CB-CB 3.93Å; F380-L395 HydrophobicContact CB-CD2 3.97Å; F380-L395 HydrophobicContact CD1-CD2 4.3Å; C382-L395 HydrophobicContact CB-CD1 3.79Å; F389-L395 HydrophobicContact CB-CB 4.45Å; F389-L395 HydrophobicContact CD2-CB 4Å; F389-L395 HydrophobicContact CD2-CD1 3.72Å; F389-L395 HydrophobicContact CD2-CG 4.47Å; F389-L395 HydrophobicContact CE2-CD1 3.77Å; F389-L395 HydrophobicContact CG-CB 4.34Å; S391-L395 PolarHBondContact O-N 3.34Å; H392-L395 PolarHBondContact O-N 2.74Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 2.92Å; L395-H398 CarbonylContact O-C 3.6Å; L395-H398 WeakPolarHBondContact O-CA 3.3Å; L395-H398 VanDerWaalsContact O-CB 3.32Å; L395-H398 WeakPolarHBondContact O-CB 3.48Å; L395-H398 PolarHBondContact O-N 2.91Å; L395-L399 HydrophobicContact CD1-CD1 4.13Å; L395-L399 HydrophobicContact CD1-CD2 4.1Å; L395-L399 HydrophobicContact CD1-CG 3.93Å; L395-L399 HydrophobicContact CD2-CD1 4.47Å; L395-L399 HydrophobicContact CG-CD1 3.96Å; L395-L399 HydrophobicContact CG-CG 4.18Å; L395-L399 WeakPolarHBondContact O-CG 3.39Å; L395-L399 PolarHBondContact O-N 3.48Å
396	G	82.9	Confident	82.7	Confident	22 Å²	22	74.8 Å²	74.8	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-35.6	-179.6	0	0	0	0	0	113.7	H392 N400	H392-G396 PolarHBondContact O-N 3.36Å; G396-N400 PolarHBondContact O-N 2.95Å; G396-N400 PolarHBondContact O-ND2 3.09Å
397	S	84.4	Confident	82.7	Confident	84 Å²	84	69.1 Å²	69.1	59%	0.587	35%	0.347	S	S	*	.	H	α-helix	trans	-66.1	-41	170.9	-176.1	0	0	0	0	111.9	K393 L395 G401	K393-S397 VanDerWaalsContact O-CB 3.29Å; K393-S397 WeakPolarHBondContact O-CB 3.29Å; K393-S397 PolarHBondContact O-N 2.83Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 2.92Å; S397-G401 PolarHBondContact O-N 3.14Å
398	H	87	Confident	82.9	Confident	30 Å²	30	69.2 Å²	69.2	14%	0.139	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-47.5	174.2	165.4	75.1	0	0	0	113.3	C382 C385 F389 A394 L395 N400 G401 H404	C382-H398 PolarHBondContact SG-NE2 3.25Å; C385-H398 VanDerWaalsContact CB-CE1 3.49Å; C385-H398 WeakPolarHBondContact CB-CE1 3.47Å; C385-H398 WeakPolarHBondContact CB-NE2 3.43Å; C385-H398 PolarHBondContact SG-CE1 2.92Å; C385-H398 PolarHBondContact SG-NE2 3.5Å; F389-H398 HydrophobicContact CE1-CB 3.62Å; F389-H398 AromaticContact CE1-CG 4Å; F389-H398 HydrophobicContact CE2-CB 3.84Å; F389-H398 AromaticContact CE2-CD2 3.56Å; F389-H398 AromaticContact CE2-CG 3.67Å; F389-H398 HydrophobicContact CZ-CB 3.19Å; F389-H398 AromaticContact CZ-CD2 3.5Å; F389-H398 VanDerWaalsContact CZ-CD2 3.5Å; F389-H398 WeakPolarHBondContact CZ-CD2 3.45Å; F389-H398 AromaticContact CZ-CG 3.12Å; F389-H398 AromaticContact CZ-ND1 3.58Å; A394-H398 WeakPolarHBondContact O-CB 3.43Å; A394-H398 PolarHBondContact O-N 3.27Å; L395-H398 CarbonylContact O-C 3.6Å; L395-H398 WeakPolarHBondContact O-CA 3.3Å; L395-H398 VanDerWaalsContact O-CB 3.32Å; L395-H398 WeakPolarHBondContact O-CB 3.48Å; L395-H398 PolarHBondContact O-N 2.91Å; H398-N400 VanDerWaalsContact C-N 3.29Å; H398-N400 PolarHBondContact O-N 2.98Å; H398-G401 WeakPolarHBondContact O-CA 3.35Å; H398-G401 PolarHBondContact O-N 2.87Å; H398-H404 AromaticContact NE2-ND1 3.63Å; H398-H404 WeakPolarHBondContact O-CB 3.45Å
399	L	86.9	Confident	82.9	Confident	26 Å²	26	70.4 Å²	70.4	14%	0.136	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-37	-179.1	-63.5	177	0	0	0	111.7	Y366 L395 G401 H404	Y366-L399 WeakPolarHBondContact OH-CD1 3.25Å; L395-L399 HydrophobicContact CD1-CD1 4.13Å; L395-L399 HydrophobicContact CD1-CD2 4.1Å; L395-L399 HydrophobicContact CD1-CG 3.93Å; L395-L399 HydrophobicContact CD2-CD1 4.47Å; L395-L399 HydrophobicContact CG-CD1 3.96Å; L395-L399 HydrophobicContact CG-CG 4.18Å; L395-L399 WeakPolarHBondContact O-CG 3.39Å; L395-L399 PolarHBondContact O-N 3.48Å; L399-G401 VanDerWaalsContact C-N 3.3Å; L399-H404 WeakPolarHBondContact CD2-CE1 3.21Å; L399-H404 WeakPolarHBondContact CD2-NE2 3.22Å; L399-H404 PolarHBondContact O-CD2 3.06Å
400	N	84	Confident	82.9	Confident	71 Å²	71	70.3 Å²	70.3	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-75.2	-17.3	172.1	-78.5	-70.7	0	0	0	113.9	H358 G396 H398 R405	H358-N400 PolarHBondContact CE1-OD1 2.88Å; G396-N400 PolarHBondContact O-N 2.95Å; G396-N400 PolarHBondContact O-ND2 3.09Å; H398-N400 VanDerWaalsContact C-N 3.29Å; H398-N400 PolarHBondContact O-N 2.98Å; N400-R405 PolarHBondContact O-NE 2.62Å; N400-R405 PolarHBondContact OD1-NH2 3.11Å; N400-R405 VanDerWaalsContact OD1-NH2 3.1Å
401	G	83.5	Confident	83.2	Confident	27 Å²	27	68.1 Å²	68.1	28%	0.278	33%	0.331	S	S	.	.	S	Bend	trans	-67.4	143.8	-177.5	0	0	0	0	0	113.3	S397 H398 L399 R403 H404 R405	S397-G401 PolarHBondContact O-N 3.14Å; H398-G401 WeakPolarHBondContact O-CA 3.35Å; H398-G401 PolarHBondContact O-N 2.87Å; L399-G401 VanDerWaalsContact C-N 3.3Å; G401-R403 PolarHBondContact O-N 3.42Å; G401-H404 PolarHBondContact O-N 3.33Å; G401-R405 PolarHBondContact O-N 3.07Å
402	R	83.2	Confident	83.4	Confident	220 Å²	220	72.4 Å²	72.4	83%	0.83	35%	0.346	S	S	*	.	H	α-helix	trans	-47.6	-37.5	-179.8	179.7	-177.1	-81.7	-169.3	-4.3	113.4	E406	R402-E406 VanDerWaalsContact O-CB 3.31Å; R402-E406 WeakPolarHBondContact O-CB 3.5Å; R402-E406 PolarHBondContact O-N 3.32Å
403	R	81.5	Confident	83.4	Confident	113 Å²	113	71.2 Å²	71.2	43%	0.426	35%	0.349	S	S	.	.	H	α-helix	trans	-67.8	-39.3	179.6	-168.4	-174	-59.6	-176.4	3.1	112.8	G401 E406 N407 K421	G401-R403 PolarHBondContact O-N 3.42Å; R403-E406 PolarHBondContact O-N 3.08Å; R403-N407 PolarHBondContact O-N 2.89Å; R403-N407 PolarHBondContact O-OD1 3.32Å; R403-K421 HydrophobicContact CG-CB 4.47Å
404	H	87.3	Confident	83.3	Confident	15 Å²	15	65.5 Å²	65.5	7%	0.069	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-45.5	176.5	-178.2	79.8	0	0	0	110.5	C382 C385 H398 L399 G401 E406 N407 V408	C382-H404 VanDerWaalsContact SG-CE1 3.55Å; C382-H404 PolarHBondContact SG-ND1 3.41Å; C382-H404 VanDerWaalsContact SG-ND1 3.45Å; C385-H404 PolarHBondContact SG-ND1 3.38Å; C385-H404 VanDerWaalsContact SG-ND1 3.39Å; H398-H404 AromaticContact NE2-ND1 3.63Å; H398-H404 WeakPolarHBondContact O-CB 3.45Å; L399-H404 WeakPolarHBondContact CD2-CE1 3.21Å; L399-H404 WeakPolarHBondContact CD2-NE2 3.22Å; L399-H404 PolarHBondContact O-CD2 3.06Å; G401-H404 PolarHBondContact O-N 3.33Å; H404-E406 PolarHBondContact O-N 2.87Å; H404-N407 CarbonylContact O-C 3.54Å; H404-N407 PolarHBondContact O-N 2.76Å; H404-V408 WeakPolarHBondContact NE2-CG2 3.48Å; H404-V408 WeakPolarHBondContact O-CG2 3.45Å; H404-V408 PolarHBondContact O-N 3.08Å
405	R	84.9	Confident	83.1	Confident	117 Å²	117	66.5 Å²	66.5	44%	0.442	34%	0.343	S	S	.	.	H	α-helix	trans	-57.6	-36.7	174.6	-62.9	-174.6	-179.3	-177.7	2.9	112.7	N400 G401 F409	N400-R405 PolarHBondContact O-NE 2.62Å; N400-R405 PolarHBondContact OD1-NH2 3.11Å; N400-R405 VanDerWaalsContact OD1-NH2 3.1Å; G401-R405 PolarHBondContact O-N 3.07Å; R405-F409 PolarHBondContact O-N 2.99Å; R405-F409 VanDerWaalsContact O-N 3.1Å
406	E	82.9	Confident	82.4	Confident	76 Å²	76	69.4 Å²	69.4	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-69	-40.5	173.4	-171.2	174.2	-147	0	0	112.5	R402 R403 H404 F409 I410 K421	R402-E406 VanDerWaalsContact O-CB 3.31Å; R402-E406 WeakPolarHBondContact O-CB 3.5Å; R402-E406 PolarHBondContact O-N 3.32Å; R403-E406 PolarHBondContact O-N 3.08Å; H404-E406 PolarHBondContact O-N 2.87Å; E406-F409 PolarHBondContact O-N 3.38Å; E406-I410 HydrophobicContact CG-CD1 4.1Å; E406-I410 WeakPolarHBondContact O-CD1 3.49Å; E406-I410 VanDerWaalsContact O-CG1 3.26Å; E406-I410 WeakPolarHBondContact O-CG1 3.41Å; E406-I410 PolarHBondContact O-N 2.82Å; E406-K421 IonicContact OE1-NZ 3.2Å; E406-K421 PolarHBondContact OE1-NZ 3.41Å; E406-K421 WeakPolarHBondContact OE2-CD 3.44Å; E406-K421 WeakPolarHBondContact OE2-CE 3.09Å; E406-K421 IonicContact OE2-NZ 3.17Å; E406-K421 PolarHBondContact OE2-NZ 3.04Å
407	N	84.5	Confident	81.9	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-66.6	-40.2	174	-75.7	10.4	0	0	0	112.5	L384 C385 R403 H404 I410 F411 L420 K421	L384-N407 PolarHBondContact O-ND2 2.93Å; C385-N407 PolarHBondContact SG-ND2 3.34Å; R403-N407 PolarHBondContact O-N 2.89Å; R403-N407 PolarHBondContact O-OD1 3.32Å; H404-N407 CarbonylContact O-C 3.54Å; H404-N407 PolarHBondContact O-N 2.76Å; N407-I410 PolarHBondContact O-N 3.31Å; N407-F411 WeakPolarHBondContact O-CB 3.26Å; N407-F411 PolarHBondContact O-N 3.38Å; N407-L420 HydrophobicContact CB-CD2 4.23Å; N407-L420 VanDerWaalsContact O-CD2 3.25Å; N407-L420 WeakPolarHBondContact O-CD2 3.26Å; N407-K421 PolarHBondContact ND2-O 2.81Å; N407-K421 VanDerWaalsContact ND2-O 3.09Å; N407-K421 WeakPolarHBondContact OD1-CA 3.3Å; N407-K421 WeakPolarHBondContact OD1-CB 3.4Å; N407-K421 PolarHBondContact OD1-N 2.83Å
408	V	84.9	Confident	81.1	Confident	20 Å²	20	74 Å²	74	12%	0.121	37%	0.369	C	S	.	.	H	α-helix	trans	-56.3	-51.6	172.9	170.4	0	0	0	0	109.6	L384 H404 I410 F411 E412	L384-V408 HydrophobicContact CD1-CG2 3.75Å; H404-V408 WeakPolarHBondContact NE2-CG2 3.48Å; H404-V408 WeakPolarHBondContact O-CG2 3.45Å; H404-V408 PolarHBondContact O-N 3.08Å; V408-I410 VanDerWaalsContact C-N 3.35Å; V408-I410 PolarHBondContact O-N 3.21Å; V408-F411 PolarHBondContact O-N 3.27Å; V408-F411 VanDerWaalsContact O-N 3.12Å; V408-E412 HydrophobicContact CG1-CG 4.23Å; V408-E412 WeakPolarHBondContact O-CB 3.17Å; V408-E412 WeakPolarHBondContact O-CG 3.49Å; V408-E412 PolarHBondContact O-N 3.34Å
409	F	82.7	Confident	80.2	Confident	141 Å²	141	73.7 Å²	73.7	62%	0.618	37%	0.368	S	S	*	.	H	α-helix	trans	-60	-40.5	178.3	-176.9	-96.7	0	0	0	113.1	R405 E406 S413	R405-F409 PolarHBondContact O-N 2.99Å; R405-F409 VanDerWaalsContact O-N 3.1Å; E406-F409 PolarHBondContact O-N 3.38Å; F409-S413 VanDerWaalsContact O-CB 3.26Å; F409-S413 WeakPolarHBondContact O-CB 3.33Å; F409-S413 PolarHBondContact O-N 3.25Å; F409-S413 PolarHBondContact O-OG 3.39Å
410	I	82.2	Confident	79.4	Confident	29 Å²	29	73.8 Å²	73.8	15%	0.149	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-40.7	175.4	-67.8	164	0	0	0	111.1	E406 N407 V408 S413 T414 L419 L420	E406-I410 HydrophobicContact CG-CD1 4.1Å; E406-I410 WeakPolarHBondContact O-CD1 3.49Å; E406-I410 VanDerWaalsContact O-CG1 3.26Å; E406-I410 WeakPolarHBondContact O-CG1 3.41Å; E406-I410 PolarHBondContact O-N 2.82Å; N407-I410 PolarHBondContact O-N 3.31Å; V408-I410 VanDerWaalsContact C-N 3.35Å; V408-I410 PolarHBondContact O-N 3.21Å; I410-S413 WeakPolarHBondContact CA-OG 3.24Å; I410-S413 PolarHBondContact O-OG 3.02Å; I410-T414 WeakPolarHBondContact O-CB 3.5Å; I410-T414 PolarHBondContact O-N 3.48Å; I410-T414 PolarHBondContact O-OG1 3.06Å; I410-L419 HydrophobicContact CG2-CB 3.6Å; I410-L420 HydrophobicContact CB-CD2 4.08Å; I410-L420 HydrophobicContact CG2-CD2 3.9Å
411	F	82.9	Confident	78.4	Confident	70 Å²	70	75.2 Å²	75.2	31%	0.307	37%	0.371	S	S	.	.	H	α-helix	trans	-67.7	-45.8	179.1	-165.7	-118.3	0	0	0	112	L384 N407 V408 S413 G415 R417 L420	L384-F411 HydrophobicContact CD2-CB 4.4Å; L384-F411 HydrophobicContact CD2-CD1 3.59Å; L384-F411 HydrophobicContact CD2-CD2 4.41Å; L384-F411 HydrophobicContact CD2-CE1 3.91Å; L384-F411 HydrophobicContact CD2-CG 3.88Å; L384-F411 HydrophobicContact CD2-CZ 4.46Å; N407-F411 WeakPolarHBondContact O-CB 3.26Å; N407-F411 PolarHBondContact O-N 3.38Å; V408-F411 PolarHBondContact O-N 3.27Å; V408-F411 VanDerWaalsContact O-N 3.12Å; F411-S413 PolarHBondContact O-N 3.22Å; F411-G415 WeakPolarHBondContact CE2-O 3.48Å; F411-G415 WeakPolarHBondContact O-CA 3.43Å; F411-G415 PolarHBondContact O-N 2.89Å; F411-R417 HydrophobicContact CD2-CG 4.38Å; F411-R417 HydrophobicContact CE2-CG 3.81Å; F411-L420 HydrophobicContact CB-CD2 3.81Å; F411-L420 HydrophobicContact CD2-CD1 4.15Å; F411-L420 HydrophobicContact CD2-CD2 4.36Å
412	E	81.9	Confident	77.1	Confident	137 Å²	137	75 Å²	75	64%	0.64	37%	0.369	S	S	*	.	H	α-helix	trans	-64.6	-36.9	177	-71.1	177.3	157.3	0	0	112.5	V408	V408-E412 HydrophobicContact CG1-CG 4.23Å; V408-E412 WeakPolarHBondContact O-CB 3.17Å; V408-E412 WeakPolarHBondContact O-CG 3.49Å; V408-E412 PolarHBondContact O-N 3.34Å
413	S	76.9	Confident	75.3	Confident	77 Å²	77	70.5 Å²	70.5	54%	0.538	36%	0.356	S	S	.	.	H	α-helix	trans	-81.4	-24.6	-179.6	56.3	0	0	0	0	114.7	F409 I410 F411	F409-S413 VanDerWaalsContact O-CB 3.26Å; F409-S413 WeakPolarHBondContact O-CB 3.33Å; F409-S413 PolarHBondContact O-N 3.25Å; F409-S413 PolarHBondContact O-OG 3.39Å; I410-S413 WeakPolarHBondContact CA-OG 3.24Å; I410-S413 PolarHBondContact O-OG 3.02Å; F411-S413 PolarHBondContact O-N 3.22Å
414	T	77.1	Confident	73.3	Confident	62 Å²	62	74.5 Å²	74.5	38%	0.38	37%	0.371	S	S	.	.	H	α-helix	trans	-127.2	-19.9	-169.8	-31.1	0	0	0	0	115	I410 D416 L419	I410-T414 WeakPolarHBondContact O-CB 3.5Å; I410-T414 PolarHBondContact O-N 3.48Å; I410-T414 PolarHBondContact O-OG1 3.06Å; T414-D416 HydrophobicContact CG2-CB 4.44Å; T414-D416 PolarHBondContact O-N 3.2Å; T414-L419 HydrophobicContact CG2-CD1 3.51Å
415	G	77.4	Confident	71	Confident	52 Å²	52	82 Å²	82	54%	0.536	41%	0.406	S	S	.	.			trans	67.1	-18.9	-175.6	0	0	0	0	0	115.9	F411	F411-G415 WeakPolarHBondContact CE2-O 3.48Å; F411-G415 WeakPolarHBondContact O-CA 3.43Å; F411-G415 PolarHBondContact O-N 2.89Å
416	D	71.7	Confident	68.5	Low	68 Å²	68	79.9 Å²	79.9	36%	0.364	41%	0.413	S	S	.	.			trans	-84	121.2	-177.9	-176.3	11	0	0	0	112.5	T414 S418	T414-D416 HydrophobicContact CG2-CB 4.44Å; T414-D416 PolarHBondContact O-N 3.2Å; D416-S418 VanDerWaalsContact CG-OG 3.28Å; D416-S418 PolarHBondContact O-N 3.25Å; D416-S418 VanDerWaalsContact OD1-CB 3.32Å; D416-S418 WeakPolarHBondContact OD1-CB 3.37Å; D416-S418 PolarHBondContact OD1-N 3.42Å; D416-S418 PolarHBondContact OD1-OG 3.25Å; D416-S418 WeakPolarHBondContact OD2-CB 3.28Å; D416-S418 PolarHBondContact OD2-OG 3.47Å
417	R	72.3	Confident	66.2	Low	119 Å²	119	84 Å²	84	45%	0.449	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-64.9	-21.4	173.2	-71.1	-167	175.9	-149.7	1	112.8	E383 F411 L419 L420	E383-R417 PolarHBondContact O-NH1 3.1Å; E383-R417 IonicContact OE2-NH2 3.59Å; F411-R417 HydrophobicContact CD2-CG 4.38Å; F411-R417 HydrophobicContact CE2-CG 3.81Å; R417-L419 PolarHBondContact O-N 3.42Å; R417-L420 HydrophobicContact CB-CD1 4.11Å; R417-L420 HydrophobicContact CG-CD1 4.07Å; R417-L420 WeakPolarHBondContact O-CB 3.19Å; R417-L420 WeakPolarHBondContact O-CG 3.34Å; R417-L420 PolarHBondContact O-N 2.87Å
418	S	67.9	Low	64	Low	83 Å²	83	90.3 Å²	90.3	58%	0.58	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-65.7	-24.1	-177.1	92.9	0	0	0	0	114.2	D416	D416-S418 VanDerWaalsContact CG-OG 3.28Å; D416-S418 PolarHBondContact O-N 3.25Å; D416-S418 VanDerWaalsContact OD1-CB 3.32Å; D416-S418 WeakPolarHBondContact OD1-CB 3.37Å; D416-S418 PolarHBondContact OD1-N 3.42Å; D416-S418 PolarHBondContact OD1-OG 3.25Å; D416-S418 WeakPolarHBondContact OD2-CB 3.28Å; D416-S418 PolarHBondContact OD2-OG 3.47Å
419	L	67.2	Low	62.4	Low	25 Å²	25	97.6 Å²	97.6	13%	0.131	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-88.5	-9	-178.9	-57.8	-173.7	0	0	0	113.5	I410 T414 R417 N833	I410-L419 HydrophobicContact CG2-CB 3.6Å; T414-L419 HydrophobicContact CG2-CD1 3.51Å; R417-L419 PolarHBondContact O-N 3.42Å; L419-N833 HydrophobicContact CD2-CB 4.04Å
420	L	69.8	Low	61	Low	27 Å²	27	93.3 Å²	93.3	14%	0.141	49%	0.486	C	S	.	.	S	Bend	trans	-68.8	135.8	-176.8	-55.3	178.5	0	0	0	110.8	N407 I410 F411 R417 G422	N407-L420 HydrophobicContact CB-CD2 4.23Å; N407-L420 VanDerWaalsContact O-CD2 3.25Å; N407-L420 WeakPolarHBondContact O-CD2 3.26Å; I410-L420 HydrophobicContact CB-CD2 4.08Å; I410-L420 HydrophobicContact CG2-CD2 3.9Å; F411-L420 HydrophobicContact CB-CD2 3.81Å; F411-L420 HydrophobicContact CD2-CD1 4.15Å; F411-L420 HydrophobicContact CD2-CD2 4.36Å; R417-L420 HydrophobicContact CB-CD1 4.11Å; R417-L420 HydrophobicContact CG-CD1 4.07Å; R417-L420 WeakPolarHBondContact O-CB 3.19Å; R417-L420 WeakPolarHBondContact O-CG 3.34Å; R417-L420 PolarHBondContact O-N 2.87Å; L420-G422 PolarHBondContact O-N 3.44Å
421	K	64	Low	60.4	Low	101 Å²	101	96.8 Å²	96.8	44%	0.439	51%	0.509	S	S	.	.			trans	-79.1	73.8	174.9	-56.6	-177	-168.5	175.6	0	109.3	R403 E406 N407	R403-K421 HydrophobicContact CG-CB 4.47Å; E406-K421 IonicContact OE1-NZ 3.2Å; E406-K421 PolarHBondContact OE1-NZ 3.41Å; E406-K421 WeakPolarHBondContact OE2-CD 3.44Å; E406-K421 WeakPolarHBondContact OE2-CE 3.09Å; E406-K421 IonicContact OE2-NZ 3.17Å; E406-K421 PolarHBondContact OE2-NZ 3.04Å; N407-K421 PolarHBondContact ND2-O 2.81Å; N407-K421 VanDerWaalsContact ND2-O 3.09Å; N407-K421 WeakPolarHBondContact OD1-CA 3.3Å; N407-K421 WeakPolarHBondContact OD1-CB 3.4Å; N407-K421 PolarHBondContact OD1-N 2.83Å
422	G	55.2	Low	60.2	Low	23 Å²	23	93.8 Å²	93.8	24%	0.237	50%	0.497	C	S	.	.			trans	-64.7	-161.5	173	0	0	0	0	0	112.7	L420 R424	L420-G422 PolarHBondContact O-N 3.44Å; G422-R424 PolarHBondContact O-N 3.46Å
423	K	47	Very low	60.2	Low	126 Å²	126	89.7 Å²	89.7	55%	0.548	48%	0.477	S	S	.	.			trans	-66.2	80.4	171.7	-92.9	169.7	174.6	168.9	0	111.9	V387 Q425	V387-K423 HydrophobicContact CG2-CD 4.09Å; V387-K423 HydrophobicContact CG2-CG 3.94Å; K423-Q425 VanDerWaalsContact C-N 3.31Å; K423-Q425 PolarHBondContact O-N 2.65Å
424	R	38.3	Very low	60.6	Low	197 Å²	197	86 Å²	86	74%	0.743	45%	0.451	S	S	*	.				-56.1	112.6	120.3	-68.8	-171.5	-173.2	-172.2	2.4	104.8	G422 A426	G422-R424 PolarHBondContact O-N 3.46Å; R424-A426 PolarHBondContact O-N 2.9Å
425	Q	39.1	Very low	60.9	Low	172 Å²	172	86.3 Å²	86.3	80%	0.804	45%	0.448	S	S	*	.			trans	-40.8	122.5	155	-68.4	177.1	-7.1	0	0	105	K423 Q427	K423-Q425 VanDerWaalsContact C-N 3.31Å; K423-Q425 PolarHBondContact O-N 2.65Å; Q425-Q427 VanDerWaalsContact C-N 3.33Å; Q425-Q427 PolarHBondContact O-N 3.25Å
426	A	32.3	Very low	61.2	Low	72 Å²	72	87.8 Å²	87.8	60%	0.595	45%	0.448	S	S	*	.			trans	-60.1	106	-177.7	0	0	0	0	0	105.4	R424 V428	R424-A426 PolarHBondContact O-N 2.9Å; A426-V428 PolarHBondContact O-N 3.49Å
427	Q	35.7	Very low	61.8	Low	163 Å²	163	90 Å²	90	76%	0.762	46%	0.455	S	S	*	.			trans	-47.1	114.9	-167	-79.3	-179.8	-76.5	0	0	106.3	Q425 K429	Q425-Q427 VanDerWaalsContact C-N 3.33Å; Q425-Q427 PolarHBondContact O-N 3.25Å; Q427-K429 VanDerWaalsContact C-N 3.31Å; Q427-K429 WeakPolarHBondContact O-CA 3.29Å; Q427-K429 PolarHBondContact O-N 2.97Å
428	V	38.5	Very low	62.5	Low	133 Å²	133	84.6 Å²	84.6	81%	0.806	44%	0.435	S	S	*	.			trans	-56.1	104.9	-173.7	174.3	0	0	0	0	104.4	A426 V430	A426-V428 PolarHBondContact O-N 3.49Å; V428-V430 VanDerWaalsContact C-N 3.31Å; V428-V430 WeakPolarHBondContact O-CA 3.37Å; V428-V430 WeakPolarHBondContact O-CG2 3.48Å; V428-V430 PolarHBondContact O-N 3.29Å
429	K	50	Low	63.1	Low	173 Å²	173	85.3 Å²	85.3	75%	0.752	43%	0.432	S	S	*	.			trans	-70.7	94.3	-145	177.3	-166.5	173.5	-175.5	0	108	Q427 T431	Q427-K429 VanDerWaalsContact C-N 3.31Å; Q427-K429 WeakPolarHBondContact O-CA 3.29Å; Q427-K429 PolarHBondContact O-N 2.97Å; K429-T431 WeakPolarHBondContact O-CG2 3.31Å; K429-T431 PolarHBondContact O-N 3.03Å
430	V	54.5	Low	63.9	Low	50 Å²	50	89.9 Å²	89.9	30%	0.303	46%	0.461	S	S	.	.			trans	-51.9	104.1	-154	-164.4	0	0	0	0	108.7	V428 I535 E537	V428-V430 VanDerWaalsContact C-N 3.31Å; V428-V430 WeakPolarHBondContact O-CA 3.37Å; V428-V430 WeakPolarHBondContact O-CG2 3.48Å; V428-V430 PolarHBondContact O-N 3.29Å; V430-I535 HydrophobicContact CB-CD1 4.41Å; V430-I535 HydrophobicContact CG1-CD1 4.32Å; V430-I535 HydrophobicContact CG1-CG2 3.76Å; V430-I535 WeakPolarHBondContact O-CD1 3.18Å; V430-E537 HydrophobicContact CG1-CG 4.19Å; V430-E537 WeakPolarHBondContact CG2-OE1 3.33Å
431	T	68.2	Low	64.6	Low	103 Å²	103	89.3 Å²	89.3	63%	0.632	46%	0.459	S	S	*	.			trans	-86.8	127.2	-178.1	47.2	0	0	0	0	106.6	K429 K433 Q455	K429-T431 WeakPolarHBondContact O-CG2 3.31Å; K429-T431 PolarHBondContact O-N 3.03Å; T431-K433 PolarHBondContact O-N 3.49Å; T431-K433 VanDerWaalsContact O-N 3.14Å; T431-Q455 PolarHBondContact O-NE2 2.85Å
432	A	80.1	Confident	65.7	Low	6 Å²	6	89.2 Å²	89.2	5%	0.05	47%	0.467	C	S	.	.			trans	-52.1	123.1	167.8	0	0	0	0	0	107.8	I434 Q435 E453 L533 I535	A432-I434 HydrophobicContact CB-CG2 4.25Å; A432-I434 PolarHBondContact O-N 3.26Å; A432-Q435 HydrophobicContact CB-CB 4.38Å; A432-Q435 VanDerWaalsContact O-CB 3.23Å; A432-Q435 WeakPolarHBondContact O-CB 3.44Å; A432-Q435 PolarHBondContact O-N 2.84Å; A432-E453 VanDerWaalsContact CA-OE2 3.22Å; A432-E453 WeakPolarHBondContact CA-OE2 3.1Å; A432-E453 VanDerWaalsContact CB-OE2 3.28Å; A432-E453 WeakPolarHBondContact CB-OE2 3.47Å; A432-L533 HydrophobicContact CB-CD2 3.98Å; A432-I535 HydrophobicContact CB-CD1 4.01Å; A432-I535 HydrophobicContact CB-CG1 4.34Å
433	K	81.4	Confident	67.3	Low	52 Å²	52	91.2 Å²	91.2	23%	0.226	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.7	-179.2	-62.3	-159.6	-164.7	177.3	0	111.5	T431 E453 L459 D460 C462 K475	T431-K433 PolarHBondContact O-N 3.49Å; T431-K433 VanDerWaalsContact O-N 3.14Å; K433-E453 WeakPolarHBondContact CB-OE1 3.48Å; K433-E453 VanDerWaalsContact N-CD 3.34Å; K433-E453 PolarHBondContact N-OE1 3.48Å; K433-E453 PolarHBondContact N-OE2 3.1Å; K433-E453 VanDerWaalsContact N-OE2 3.08Å; K433-L459 PolarHBondContact NZ-O 2.99Å; K433-D460 VanDerWaalsContact NZ-C 3.33Å; K433-D460 VanDerWaalsContact NZ-CA 3.28Å; K433-D460 PolarHBondContact NZ-O 2.9Å; K433-D460 IonicContact NZ-OD1 2.75Å; K433-D460 PolarHBondContact NZ-OD1 2.94Å; K433-C462 VanDerWaalsContact CD-SG 3.54Å; K433-C462 WeakPolarHBondContact CE-SG 3.23Å; K433-K475 WeakPolarHBondContact O-CE 3.48Å; K433-K475 PolarHBondContact O-NZ 3.33Å
434	I	85	Confident	69.3	Low	0 Å²	0	85.2 Å²	85.2	0%	0	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-5.3	171.3	-158	160.6	0	0	0	114.9	A432 P436 F437 L438 Y464 K475 V478 L533	A432-I434 HydrophobicContact CB-CG2 4.25Å; A432-I434 PolarHBondContact O-N 3.26Å; I434-P436 VanDerWaalsContact C-CD 3.43Å; I434-P436 VanDerWaalsContact C-N 3.33Å; I434-P436 VanDerWaalsContact O-N 3.15Å; I434-F437 HydrophobicContact CG1-CB 3.9Å; I434-F437 HydrophobicContact CG1-CD2 4.15Å; I434-F437 HydrophobicContact CG1-CG 4.34Å; I434-F437 WeakPolarHBondContact O-CA 3.22Å; I434-F437 WeakPolarHBondContact O-CB 3.28Å; I434-F437 PolarHBondContact O-N 3.45Å; I434-L438 HydrophobicContact CG2-CD1 3.87Å; I434-L438 HydrophobicContact CG2-CG 4.24Å; I434-L438 PolarHBondContact O-N 3.03Å; I434-Y464 HydrophobicContact CB-CE1 3.7Å; I434-Y464 HydrophobicContact CD1-CD1 4.46Å; I434-Y464 HydrophobicContact CD1-CE1 4Å; I434-Y464 HydrophobicContact CG1-CE1 4.48Å; I434-Y464 HydrophobicContact CG2-CD1 4.41Å; I434-Y464 HydrophobicContact CG2-CE1 3.6Å; I434-K475 HydrophobicContact CD1-CG 4.19Å; I434-K475 WeakPolarHBondContact CD1-O 3.46Å; I434-K475 HydrophobicContact CG1-CG 4.39Å; I434-V478 HydrophobicContact CD1-CB 3.48Å; I434-V478 VanDerWaalsContact CD1-CB 3.48Å; I434-V478 HydrophobicContact CD1-CG1 3.9Å; I434-V478 HydrophobicContact CD1-CG2 3.68Å; I434-L533 HydrophobicContact CG2-CD1 3.9Å
435	Q	84.3	Confident	71.8	Confident	68 Å²	68	75.8 Å²	75.8	32%	0.318	41%	0.409	S	S	.	.	H	α-helix	trans	-48.9	-43.3	-177.3	-170.9	67.7	55.3	0	0	114	A432 F437 L438 D439	A432-Q435 HydrophobicContact CB-CB 4.38Å; A432-Q435 VanDerWaalsContact O-CB 3.23Å; A432-Q435 WeakPolarHBondContact O-CB 3.44Å; A432-Q435 PolarHBondContact O-N 2.84Å; Q435-F437 PolarHBondContact O-N 2.84Å; Q435-L438 WeakPolarHBondContact O-CB 3.44Å; Q435-L438 PolarHBondContact O-N 3.35Å; Q435-L438 VanDerWaalsContact O-N 3.07Å; Q435-D439 PolarHBondContact NE2-OD1 3.5Å; Q435-D439 PolarHBondContact O-N 3.5Å
436	P	83	Confident	74.4	Confident	82 Å²	82	67.9 Å²	67.9	53%	0.532	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-28.8	177	-24.2	35.8	0	0	0	114.3	I434 V440	I434-P436 VanDerWaalsContact C-CD 3.43Å; I434-P436 VanDerWaalsContact C-N 3.33Å; I434-P436 VanDerWaalsContact O-N 3.15Å; P436-V440 VanDerWaalsContact O-CG2 3.28Å; P436-V440 WeakPolarHBondContact O-CG2 3.43Å; P436-V440 PolarHBondContact O-N 3.21Å
437	F	83.1	Confident	77.1	Confident	116 Å²	116	64.6 Å²	64.6	51%	0.509	35%	0.345	S	S	.	.	H	α-helix	trans	-81	-28.1	176.9	-60.4	-93.4	0	0	0	112.1	I434 Q435 I479	I434-F437 HydrophobicContact CG1-CB 3.9Å; I434-F437 HydrophobicContact CG1-CD2 4.15Å; I434-F437 HydrophobicContact CG1-CG 4.34Å; I434-F437 WeakPolarHBondContact O-CA 3.22Å; I434-F437 WeakPolarHBondContact O-CB 3.28Å; I434-F437 PolarHBondContact O-N 3.45Å; Q435-F437 PolarHBondContact O-N 2.84Å; F437-I479 HydrophobicContact CB-CD1 4.32Å; F437-I479 HydrophobicContact CB-CG1 4.24Å
438	L	87.3	Confident	79.8	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-72.6	-39.2	171.9	-65.9	169.9	0	0	0	111.5	I434 Q435 C441 L445 L448 I479 L482 R530 L533	I434-L438 HydrophobicContact CG2-CD1 3.87Å; I434-L438 HydrophobicContact CG2-CG 4.24Å; I434-L438 PolarHBondContact O-N 3.03Å; Q435-L438 WeakPolarHBondContact O-CB 3.44Å; Q435-L438 PolarHBondContact O-N 3.35Å; Q435-L438 VanDerWaalsContact O-N 3.07Å; L438-C441 PolarHBondContact O-N 3.43Å; L438-L445 HydrophobicContact CD2-CD1 3.87Å; L438-L448 HydrophobicContact CD1-CD1 4.1Å; L438-L448 HydrophobicContact CD1-CD2 4.21Å; L438-L448 HydrophobicContact CD2-CD1 3.69Å; L438-L448 HydrophobicContact CD2-CD2 4.33Å; L438-I479 HydrophobicContact CD2-CD1 3.68Å; L438-I479 HydrophobicContact CG-CD1 4.32Å; L438-L482 HydrophobicContact CD2-CD1 4.18Å; L438-R530 PolarHBondContact O-NH1 2.98Å; L438-L533 HydrophobicContact CD1-CD1 4.38Å
439	D	81.6	Confident	82.2	Confident	98 Å²	98	52.7 Å²	52.7	52%	0.524	28%	0.282	S	S	.	.	H	α-helix	trans	-71.1	-31.8	-179	-67.7	-23.2	0	0	0	112.7	Q435 C441	Q435-D439 PolarHBondContact NE2-OD1 3.5Å; Q435-D439 PolarHBondContact O-N 3.5Å; D439-C441 VanDerWaalsContact C-N 3.32Å
440	V	84.2	Confident	84.1	Confident	121 Å²	121	46.7 Å²	46.7	73%	0.733	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.8	175.8	172.4	0	0	0	0	112.7	P436 T442	P436-V440 VanDerWaalsContact O-CG2 3.28Å; P436-V440 WeakPolarHBondContact O-CG2 3.43Å; P436-V440 PolarHBondContact O-N 3.21Å; V440-T442 PolarHBondContact O-N 3.35Å
441	C	83.9	Confident	85.9	Confident	15 Å²	15	44.3 Å²	44.3	10%	0.101	24%	0.24	C	C	.	.			trans	-77.9	121.7	-175	-162.5	0	0	0	0	112.8	L438 D439 L445 R530	L438-C441 PolarHBondContact O-N 3.43Å; D439-C441 VanDerWaalsContact C-N 3.32Å; C441-L445 HydrophobicContact CB-CD1 3.78Å; C441-L445 HydrophobicContact CB-CG 4.4Å; C441-R530 PolarHBondContact O-NH1 3.45Å; C441-R530 PolarHBondContact O-NH2 2.97Å
442	T	86.6	Confident	86.8	Confident	99 Å²	99	40.2 Å²	40.2	61%	0.607	22%	0.215	S	C	*	.			trans	-98.1	-12.5	177.4	53.8	0	0	0	0	114.1	V440	V440-T442 PolarHBondContact O-N 3.35Å
443	Q	88.4	Confident	87.2	Confident	65 Å²	65	40 Å²	40	30%	0.304	21%	0.212	S	C	.	.	S	Bend	trans	-74.5	149.2	169.1	-85.7	-84.6	-36.2	0	0	110.2	C483 E518	Q443-C483 HydrophobicContact CB-CB 4.49Å; Q443-C483 VanDerWaalsContact CB-SG 3.52Å; Q443-E518 VanDerWaalsContact NE2-CD 3.27Å; Q443-E518 PolarHBondContact NE2-OE1 2.76Å; Q443-E518 PolarHBondContact NE2-OE2 3.01Å; Q443-E518 PolarHBondContact OE1-OE2 2.86Å
444	P	90	Very high	87.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.			trans	-69.3	132.5	-179.8	22.4	-29	0	0	0	113.1	R488 E518 A521 R522 E525	P444-R488 PolarHBondContact O-NH2 3.08Å; P444-E518 HydrophobicContact CG-CG 3.78Å; P444-A521 HydrophobicContact CB-CB 4.03Å; P444-A521 HydrophobicContact CG-CB 3.85Å; P444-R522 HydrophobicContact CG-CB 4.47Å; P444-E525 VanDerWaalsContact CA-OE2 3.24Å; P444-E525 WeakPolarHBondContact CA-OE2 3.44Å
445	L	91.2	Very high	87	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.			trans	-115	57.2	-172.5	-67.6	-179.6	0	0	0	111.9	L438 C441 L482 E525 R530	L438-L445 HydrophobicContact CD2-CD1 3.87Å; C441-L445 HydrophobicContact CB-CD1 3.78Å; C441-L445 HydrophobicContact CB-CG 4.4Å; L445-L482 HydrophobicContact CD2-CB 3.72Å; L445-L482 HydrophobicContact CD2-CD1 4.12Å; L445-E525 PolarHBondContact N-OE2 3.47Å; L445-R530 HydrophobicContact CB-CG 4.48Å
446	I	92.2	Very high	86.2	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	150.2	173.3	61.5	177.1	0	0	0	111.7	L448 H487 R488 Y491 A521 I524 E525	I446-L448 VanDerWaalsContact C-N 3.29Å; I446-L448 PolarHBondContact O-N 3.49Å; I446-H487 PolarHBondContact O-NE2 3.05Å; I446-R488 HydrophobicContact CD1-CB 4.17Å; I446-R488 HydrophobicContact CD1-CG 4.03Å; I446-R488 HydrophobicContact CG1-CG 4.21Å; I446-Y491 HydrophobicContact CB-CD1 3.99Å; I446-Y491 HydrophobicContact CB-CE1 4.08Å; I446-Y491 HydrophobicContact CB-CG 4.43Å; I446-Y491 HydrophobicContact CD1-CD1 3.78Å; I446-Y491 HydrophobicContact CD1-CG 4.21Å; I446-Y491 HydrophobicContact CG1-CD1 4.13Å; I446-Y491 HydrophobicContact CG1-CG 4.32Å; I446-A521 HydrophobicContact CD1-CB 3.76Å; I446-A521 HydrophobicContact CG1-CB 4.32Å; I446-A521 HydrophobicContact CG2-CB 4.3Å; I446-A521 VanDerWaalsContact CG2-O 3.23Å; I446-A521 WeakPolarHBondContact CG2-O 3.39Å; I446-I524 HydrophobicContact CB-CG2 4.4Å; I446-I524 HydrophobicContact CG2-CB 3.97Å; I446-I524 HydrophobicContact CG2-CG2 3.66Å; I446-E525 HydrophobicContact CG2-CB 4.43Å
447	G	90.4	Very high	85.2	Confident	3 Å²	3	39.1 Å²	39.1	3%	0.031	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	17.9	176.9	0	0	0	0	0	116.3	N449 Y450 Y491	G447-N449 PolarHBondContact O-N 3.07Å; G447-N449 VanDerWaalsContact O-N 3.13Å; G447-Y450 PolarHBondContact O-N 2.78Å; G447-Y491 VanDerWaalsContact CA-CD2 3.42Å
448	L	91.4	Very high	84.1	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.052	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-56.8	-25.8	175.2	-177.1	63.4	0	0	0	113.2	L438 I446 Y450 M451 L482 R530 L533	L438-L448 HydrophobicContact CD1-CD1 4.1Å; L438-L448 HydrophobicContact CD1-CD2 4.21Å; L438-L448 HydrophobicContact CD2-CD1 3.69Å; L438-L448 HydrophobicContact CD2-CD2 4.33Å; I446-L448 VanDerWaalsContact C-N 3.29Å; I446-L448 PolarHBondContact O-N 3.49Å; L448-Y450 PolarHBondContact O-N 3.34Å; L448-M451 HydrophobicContact CD1-CB 4.31Å; L448-M451 VanDerWaalsContact O-CB 3.26Å; L448-M451 WeakPolarHBondContact O-CB 3.44Å; L448-M451 PolarHBondContact O-N 3.35Å; L448-L482 HydrophobicContact CD1-CD1 3.64Å; L448-R530 VanDerWaalsContact CB-O 3.29Å; L448-R530 WeakPolarHBondContact CB-O 3.47Å; L448-R530 WeakPolarHBondContact CD2-O 3.26Å; L448-L533 HydrophobicContact CD1-CB 4.04Å; L448-L533 HydrophobicContact CD1-CD1 4.17Å; L448-L533 HydrophobicContact CG-CB 4.06Å
449	N	90	Very high	82.7	Confident	37 Å²	37	41.7 Å²	41.7	20%	0.198	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-71.4	-8.2	175	67.7	-62.4	0	0	0	114.9	G447 K531 R532 I534	G447-N449 PolarHBondContact O-N 3.07Å; G447-N449 VanDerWaalsContact O-N 3.13Å; N449-K531 HydrophobicContact CB-CB 3.99Å; N449-K531 HydrophobicContact CB-CD 4.38Å; N449-K531 VanDerWaalsContact OD1-CD 3.29Å; N449-K531 WeakPolarHBondContact OD1-CD 3.34Å; N449-R532 WeakPolarHBondContact CA-O 3.41Å; N449-R532 WeakPolarHBondContact CB-O 3.31Å; N449-I534 VanDerWaalsContact O-CD1 3.25Å; N449-I534 WeakPolarHBondContact O-CD1 3.3Å
450	Y	90.1	Very high	81.9	Confident	46 Å²	46	43.3 Å²	43.3	18%	0.18	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-93.7	-6	168.8	-59.9	-82.6	0	0	0	112.1	G447 L448 S467 L468 Y491 Y495	G447-Y450 PolarHBondContact O-N 2.78Å; L448-Y450 PolarHBondContact O-N 3.34Å; Y450-S467 WeakPolarHBondContact CA-OG 3.43Å; Y450-S467 WeakPolarHBondContact CB-OG 3.49Å; Y450-S467 PolarHBondContact O-N 3.41Å; Y450-S467 PolarHBondContact O-OG 3.14Å; Y450-L468 HydrophobicContact CD1-CB 4.42Å; Y450-L468 HydrophobicContact CG-CB 3.94Å; Y450-Y491 HydrophobicContact CD2-CD2 4.37Å; Y450-Y491 HydrophobicContact CD2-CE2 4.12Å; Y450-Y491 HydrophobicContact CE2-CD2 4.38Å; Y450-Y491 AromaticContact CE2-CE2 3.8Å; Y450-Y491 HydrophobicContact CE2-CE2 3.8Å; Y450-Y495 HydrophobicContact CE1-CE2 4.27Å; Y450-Y495 WeakPolarHBondContact CE1-OH 3.44Å; Y450-Y495 AromaticContact CE2-CE2 3.81Å; Y450-Y495 HydrophobicContact CE2-CE2 3.81Å; Y450-Y495 AromaticContact CZ-CE2 3.59Å; Y450-Y495 AromaticContact CZ-CZ 3.55Å; Y450-Y495 PolarHBondContact OH-OH 3.02Å
451	M	90.8	Very high	80.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.5	170.8	-163.6	61.6	57.3	0	0	110	L448 I465 C466 L473 V478 L482 L533 I534	L448-M451 HydrophobicContact CD1-CB 4.31Å; L448-M451 VanDerWaalsContact O-CB 3.26Å; L448-M451 WeakPolarHBondContact O-CB 3.44Å; L448-M451 PolarHBondContact O-N 3.35Å; M451-I465 CarbonylContact C-O 2.99Å; M451-I465 WeakPolarHBondContact CA-O 3.44Å; M451-C466 HydrophobicContact CE-CB 3.66Å; M451-C466 HydrophobicContact SD-CB 4.25Å; M451-L473 HydrophobicContact CE-CD1 3.84Å; M451-L473 HydrophobicContact SD-CD1 4.11Å; M451-V478 HydrophobicContact CE-CG1 3.86Å; M451-V478 HydrophobicContact CG-CG1 4Å; M451-V478 HydrophobicContact SD-CG1 3.86Å; M451-L482 HydrophobicContact CE-CD1 4.43Å; M451-L482 HydrophobicContact CE-CD2 3.64Å; M451-L482 HydrophobicContact CE-CG 3.92Å; M451-L533 HydrophobicContact CB-CD1 3.97Å; M451-L533 HydrophobicContact CB-CG 4.13Å; M451-L533 HydrophobicContact CG-CD1 3.6Å; M451-L533 HydrophobicContact CG-CG 4.21Å; M451-I534 PolarHBondContact O-N 3.04Å
452	I	87	Confident	80.5	Confident	18 Å²	18	43.3 Å²	43.3	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.3	179.3	-48.5	177.3	0	0	0	108.8	Y454 Y464 I465 I534 K536	I452-Y454 HydrophobicContact CB-CE2 3.9Å; I452-Y454 HydrophobicContact CG2-CD2 4Å; I452-Y454 HydrophobicContact CG2-CE2 3.4Å; I452-Y464 CarbonylContact O-C 3.59Å; I452-Y464 VanDerWaalsContact O-CA 3.29Å; I452-Y464 WeakPolarHBondContact O-CA 3.34Å; I452-I465 PolarHBondContact N-O 3.46Å; I452-I465 PolarHBondContact O-N 3.13Å; I452-I534 CarbonylContact C-O 3.58Å; I452-I534 VanDerWaalsContact CA-O 3.27Å; I452-I534 WeakPolarHBondContact CA-O 3.45Å; I452-I534 HydrophobicContact CG1-CB 4.28Å; I452-I534 HydrophobicContact CG2-CB 4.46Å; I452-I534 HydrophobicContact CG2-CG2 4.25Å; I452-K536 HydrophobicContact CG2-CD 3.83Å; I452-K536 HydrophobicContact CG2-CG 4Å
453	E	88.7	Confident	79.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.5	172.2	-176.1	-178.7	140.3	0	0	109.9	A432 K433 Q455 C462 Y464 L533 I534 I535 K536	A432-E453 VanDerWaalsContact CA-OE2 3.22Å; A432-E453 WeakPolarHBondContact CA-OE2 3.1Å; A432-E453 VanDerWaalsContact CB-OE2 3.28Å; A432-E453 WeakPolarHBondContact CB-OE2 3.47Å; K433-E453 WeakPolarHBondContact CB-OE1 3.48Å; K433-E453 VanDerWaalsContact N-CD 3.34Å; K433-E453 PolarHBondContact N-OE1 3.48Å; K433-E453 PolarHBondContact N-OE2 3.1Å; K433-E453 VanDerWaalsContact N-OE2 3.08Å; E453-Q455 HydrophobicContact CG-CG 4.16Å; E453-Q455 WeakPolarHBondContact OE1-CG 3.29Å; E453-Q455 PolarHBondContact OE1-NE2 3.25Å; E453-C462 HydrophobicContact CG-CB 4.08Å; E453-Y464 HydrophobicContact CB-CD1 3.95Å; E453-Y464 HydrophobicContact CB-CE1 3.88Å; E453-Y464 HydrophobicContact CG-CD1 3.98Å; E453-Y464 HydrophobicContact CG-CE1 3.5Å; E453-Y464 VanDerWaalsContact CG-CE1 3.5Å; E453-Y464 VanDerWaalsContact OE2-CE1 3.25Å; E453-Y464 WeakPolarHBondContact OE2-CE1 3.47Å; E453-L533 HydrophobicContact CB-CD2 3.57Å; E453-I534 PolarHBondContact N-O 2.64Å; E453-I535 WeakPolarHBondContact O-CA 3.48Å; E453-K536 PolarHBondContact O-N 3.14Å
454	Y	81.3	Confident	79.8	Confident	21 Å²	21	36.4 Å²	36.4	8%	0.082	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112.7	174.7	-69.2	-100.3	0	0	0	109	I452 C462 L463 I465 K536	I452-Y454 HydrophobicContact CB-CE2 3.9Å; I452-Y454 HydrophobicContact CG2-CD2 4Å; I452-Y454 HydrophobicContact CG2-CE2 3.4Å; Y454-C462 WeakPolarHBondContact O-CA 3.4Å; Y454-C462 WeakPolarHBondContact O-CB 3.44Å; Y454-L463 PolarHBondContact N-O 2.85Å; Y454-L463 PolarHBondContact O-N 2.95Å; Y454-I465 HydrophobicContact CD2-CD1 4.08Å; Y454-I465 HydrophobicContact CD2-CG1 4.13Å; Y454-I465 HydrophobicContact CE2-CB 4.43Å; Y454-I465 HydrophobicContact CE2-CD1 3.33Å; Y454-I465 HydrophobicContact CE2-CG1 3.69Å; Y454-K536 WeakPolarHBondContact CA-O 3.37Å; Y454-K536 HydrophobicContact CD1-CB 4.07Å; Y454-K536 HydrophobicContact CD1-CD 4.29Å; Y454-K536 HydrophobicContact CE1-CB 4.16Å; Y454-K536 HydrophobicContact CE1-CD 3.53Å; Y454-K536 HydrophobicContact CE1-CG 4.47Å; Y454-K536 PolarHBondContact OH-NZ 3.23Å
455	Q	80.7	Confident	79.6	Confident	23 Å²	23	37.1 Å²	37.1	11%	0.107	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.1	177.4	-59.4	-170.7	1.1	0	0	109.7	T431 E453 I535 K536 E537 H538	T431-Q455 PolarHBondContact O-NE2 2.85Å; E453-Q455 HydrophobicContact CG-CG 4.16Å; E453-Q455 WeakPolarHBondContact OE1-CG 3.29Å; E453-Q455 PolarHBondContact OE1-NE2 3.25Å; Q455-I535 HydrophobicContact CG-CG2 4.08Å; Q455-K536 PolarHBondContact N-O 2.93Å; Q455-E537 WeakPolarHBondContact O-CA 3.29Å; Q455-H538 PolarHBondContact O-N 3.31Å
456	L	67.4	Low	79.5	Confident	19 Å²	19	37.1 Å²	37.1	10%	0.099	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.4	169.5	-72.5	84.8	0	0	0	108.7	E458 L459 Q546 I549	L456-E458 PolarHBondContact O-N 3.27Å; L456-E458 VanDerWaalsContact O-N 3.17Å; L456-L459 HydrophobicContact CB-CB 4.45Å; L456-L459 HydrophobicContact CD2-CD1 4.43Å; L456-L459 PolarHBondContact O-N 3.24Å; L456-Q546 HydrophobicContact CD2-CB 4.05Å; L456-Q546 HydrophobicContact CD2-CG 3.95Å; L456-I549 HydrophobicContact CD1-CD1 4.02Å; L456-I549 HydrophobicContact CD1-CG2 4Å; L456-I549 HydrophobicContact CD2-CG2 4.44Å
457	Q	62.7	Low	79.3	Confident	122 Å²	122	39.2 Å²	39.2	57%	0.57	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.2	-174	-70.6	174.5	-22.3	0	0	114.6	H538 S539	Q457-H538 PolarHBondContact N-O 2.87Å; Q457-S539 VanDerWaalsContact OE1-CB 3.23Å; Q457-S539 PolarHBondContact OE1-OG 3.3Å
458	E	59.2	Low	79.2	Confident	118 Å²	118	40.1 Å²	40.1	55%	0.551	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-12.1	-179.4	-67	-174.6	143.1	0	0	115	L456 V540 Q546	L456-E458 PolarHBondContact O-N 3.27Å; L456-E458 VanDerWaalsContact O-N 3.17Å; E458-V540 HydrophobicContact CG-CG2 3.65Å; E458-V540 WeakPolarHBondContact OE1-CG2 3.36Å; E458-V540 WeakPolarHBondContact OE2-CG1 3.25Å; E458-Q546 PolarHBondContact OE2-NE2 3.27Å
459	L	58.1	Low	79	Confident	56 Å²	56	40.7 Å²	40.7	29%	0.293	21%	0.206	S	C	.	.			trans	-119	136	-173.9	-65.5	176.7	0	0	0	110.8	K433 L456 E461 I550	K433-L459 PolarHBondContact NZ-O 2.99Å; L456-L459 HydrophobicContact CB-CB 4.45Å; L456-L459 HydrophobicContact CD2-CD1 4.43Å; L456-L459 PolarHBondContact O-N 3.24Å; L459-E461 VanDerWaalsContact C-N 3.25Å; L459-E461 PolarHBondContact O-N 2.89Å; L459-I550 HydrophobicContact CD1-CD1 4.25Å; L459-I550 HydrophobicContact CD1-CG1 4.04Å
460	D	65.8	Low	78.8	Confident	132 Å²	132	44.4 Å²	44.4	71%	0.706	23%	0.226	S	C	*	.	S	Bend	trans	-73.1	-23.9	173.3	-164.5	41.2	0	0	0	112.4	K433	K433-D460 VanDerWaalsContact NZ-C 3.33Å; K433-D460 VanDerWaalsContact NZ-CA 3.28Å; K433-D460 PolarHBondContact NZ-O 2.9Å; K433-D460 IonicContact NZ-OD1 2.75Å; K433-D460 PolarHBondContact NZ-OD1 2.94Å
461	E	63.3	Low	78.2	Confident	122 Å²	122	46.2 Å²	46.2	57%	0.57	24%	0.236	S	C	*	.			trans	-70.5	148	174.1	-57.3	-158.8	132.4	0	0	112.4	L459	L459-E461 VanDerWaalsContact C-N 3.25Å; L459-E461 PolarHBondContact O-N 2.89Å
462	C	74.8	Confident	77.7	Confident	14 Å²	14	48.6 Å²	48.6	10%	0.095	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.1	179.6	-57.2	0	0	0	0	109.6	K433 E453 Y454 Y464	K433-C462 VanDerWaalsContact CD-SG 3.54Å; K433-C462 WeakPolarHBondContact CE-SG 3.23Å; E453-C462 HydrophobicContact CG-CB 4.08Å; Y454-C462 WeakPolarHBondContact O-CA 3.4Å; Y454-C462 WeakPolarHBondContact O-CB 3.44Å; C462-Y464 HydrophobicContact CB-CE2 4.14Å; C462-Y464 VanDerWaalsContact O-CE2 3.22Å; C462-Y464 WeakPolarHBondContact O-CE2 3.41Å
463	L	74.6	Confident	77.6	Confident	18 Å²	18	48.5 Å²	48.5	9%	0.094	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	144	175.1	-73.9	-179.2	0	0	0	110.7	Y454 W472 I549 I553	Y454-L463 PolarHBondContact N-O 2.85Å; Y454-L463 PolarHBondContact O-N 2.95Å; L463-W472 HydrophobicContact CB-CE3 4.17Å; L463-W472 HydrophobicContact CB-CZ3 4.06Å; L463-W472 HydrophobicContact CD1-CE3 3.92Å; L463-W472 HydrophobicContact CD1-CZ3 3.59Å; L463-W472 HydrophobicContact CG-CZ3 4.43Å; L463-I549 HydrophobicContact CD1-CB 4.26Å; L463-I549 HydrophobicContact CD1-CG1 4.08Å; L463-I549 HydrophobicContact CD1-CG2 3.74Å; L463-I549 HydrophobicContact CG-CG2 4.36Å; L463-I553 HydrophobicContact CD1-CG1 4.37Å; L463-I553 HydrophobicContact CD2-CD1 4.27Å; L463-I553 HydrophobicContact CD2-CG1 3.74Å; L463-I553 HydrophobicContact CG-CD1 4.27Å; L463-I553 HydrophobicContact CG-CG1 4.2Å
464	Y	85.4	Confident	77.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.5	-179.5	-56.2	-102.7	0	0	0	108.8	I434 I452 E453 C462 W472 L473 K475 V478	I434-Y464 HydrophobicContact CB-CE1 3.7Å; I434-Y464 HydrophobicContact CD1-CD1 4.46Å; I434-Y464 HydrophobicContact CD1-CE1 4Å; I434-Y464 HydrophobicContact CG1-CE1 4.48Å; I434-Y464 HydrophobicContact CG2-CD1 4.41Å; I434-Y464 HydrophobicContact CG2-CE1 3.6Å; I452-Y464 CarbonylContact O-C 3.59Å; I452-Y464 VanDerWaalsContact O-CA 3.29Å; I452-Y464 WeakPolarHBondContact O-CA 3.34Å; E453-Y464 HydrophobicContact CB-CD1 3.95Å; E453-Y464 HydrophobicContact CB-CE1 3.88Å; E453-Y464 HydrophobicContact CG-CD1 3.98Å; E453-Y464 HydrophobicContact CG-CE1 3.5Å; E453-Y464 VanDerWaalsContact CG-CE1 3.5Å; E453-Y464 VanDerWaalsContact OE2-CE1 3.25Å; E453-Y464 WeakPolarHBondContact OE2-CE1 3.47Å; C462-Y464 HydrophobicContact CB-CE2 4.14Å; C462-Y464 VanDerWaalsContact O-CE2 3.22Å; C462-Y464 WeakPolarHBondContact O-CE2 3.41Å; Y464-W472 CarbonylContact O-C 3.6Å; Y464-W472 WeakPolarHBondContact O-CA 3.39Å; Y464-L473 WeakPolarHBondContact CB-O 3.33Å; Y464-L473 PolarHBondContact N-O 3.26Å; Y464-L473 PolarHBondContact O-N 2.72Å; Y464-K475 HydrophobicContact CD2-CB 4.44Å; Y464-K475 HydrophobicContact CE2-CB 3.67Å; Y464-K475 HydrophobicContact CE2-CG 4.04Å; Y464-V478 HydrophobicContact CD1-CG2 3.83Å; Y464-V478 HydrophobicContact CD2-CG2 3.97Å; Y464-V478 HydrophobicContact CG-CG2 3.53Å
465	I	85.7	Confident	77.2	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.082	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.2	174.9	-45.7	-179.6	0	0	0	109	M451 I452 Y454 Q471 W472	M451-I465 CarbonylContact C-O 2.99Å; M451-I465 WeakPolarHBondContact CA-O 3.44Å; I452-I465 PolarHBondContact N-O 3.46Å; I452-I465 PolarHBondContact O-N 3.13Å; Y454-I465 HydrophobicContact CD2-CD1 4.08Å; Y454-I465 HydrophobicContact CD2-CG1 4.13Å; Y454-I465 HydrophobicContact CE2-CB 4.43Å; Y454-I465 HydrophobicContact CE2-CD1 3.33Å; Y454-I465 HydrophobicContact CE2-CG1 3.69Å; I465-Q471 WeakPolarHBondContact CA-O 3.46Å; I465-W472 HydrophobicContact CD1-CD2 3.78Å; I465-W472 VanDerWaalsContact CD1-CE2 3.48Å; I465-W472 HydrophobicContact CD1-CE3 3.88Å; I465-W472 HydrophobicContact CD1-CH2 3.54Å; I465-W472 HydrophobicContact CD1-CZ2 3.4Å; I465-W472 HydrophobicContact CD1-CZ3 3.75Å; I465-W472 HydrophobicContact CG1-CD2 3.66Å; I465-W472 HydrophobicContact CG1-CE3 3.68Å; I465-W472 HydrophobicContact CG1-CG 4.19Å; I465-W472 HydrophobicContact CG1-CH2 4.27Å; I465-W472 HydrophobicContact CG1-CZ2 4.25Å; I465-W472 HydrophobicContact CG1-CZ3 3.97Å
466	C	90.2	Very high	77.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.1	163.2	-169.4	0	0	0	0	109.2	M451 L468 C469 N470 Q471 L473 H481 H487	M451-C466 HydrophobicContact CE-CB 3.66Å; M451-C466 HydrophobicContact SD-CB 4.25Å; C466-L468 PolarHBondContact O-N 2.81Å; C466-C469 HydrophobicContact CB-CB 4.17Å; C466-C469 PolarHBondContact O-N 3.01Å; C466-N470 VanDerWaalsContact O-CA 3.27Å; C466-N470 WeakPolarHBondContact O-CA 3.35Å; C466-N470 PolarHBondContact O-N 2.98Å; C466-Q471 PolarHBondContact N-O 2.99Å; C466-Q471 PolarHBondContact O-N 2.79Å; C466-L473 HydrophobicContact CB-CD1 4.39Å; C466-H481 WeakPolarHBondContact CB-NE2 3.14Å; C466-H481 PolarHBondContact SG-NE2 2.86Å; C466-H487 PolarHBondContact SG-ND1 3.06Å; C466-H487 VanDerWaalsContact SG-ND1 3.43Å
467	S	87.6	Confident	78.2	Confident	49 Å²	49	61.8 Å²	61.8	34%	0.343	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.1	176.9	55.9	0	0	0	0	113.7	Y450	Y450-S467 WeakPolarHBondContact CA-OG 3.43Å; Y450-S467 WeakPolarHBondContact CB-OG 3.49Å; Y450-S467 PolarHBondContact O-N 3.41Å; Y450-S467 PolarHBondContact O-OG 3.14Å
468	L	88.4	Confident	79.5	Confident	21 Å²	21	56 Å²	56	11%	0.11	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-41.5	173.6	-178.5	74.4	0	0	0	111.9	Y450 C466 T490 Y491 T494 Y495	Y450-L468 HydrophobicContact CD1-CB 4.42Å; Y450-L468 HydrophobicContact CG-CB 3.94Å; C466-L468 PolarHBondContact O-N 2.81Å; L468-T490 HydrophobicContact CD1-CG2 4.07Å; L468-T490 HydrophobicContact CD2-CG2 4.45Å; L468-T490 HydrophobicContact CG-CG2 3.82Å; L468-Y491 HydrophobicContact CD2-CD2 3.96Å; L468-Y491 HydrophobicContact CD2-CG 4.44Å; L468-T494 HydrophobicContact CD1-CG2 4.47Å; L468-Y495 HydrophobicContact CD1-CE2 4.46Å
469	C	88.2	Confident	80.9	Confident	22 Å²	22	51.8 Å²	51.8	15%	0.149	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-3.6	-177.4	-62	0	0	0	0	113.6	C466 Q471 H481	C466-C469 HydrophobicContact CB-CB 4.17Å; C466-C469 PolarHBondContact O-N 3.01Å; C469-Q471 HydrophobicContact CB-CG 4.39Å; C469-Q471 PolarHBondContact O-N 2.97Å; C469-H481 VanDerWaalsContact CB-CE1 3.42Å; C469-H481 WeakPolarHBondContact CB-CE1 3.34Å; C469-H481 PolarHBondContact SG-NE2 2.94Å
470	N	84.8	Confident	82.5	Confident	115 Å²	115	55 Å²	55	62%	0.615	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	28.4	-172.2	-63.8	-62.5	0	0	0	115.2	C466	C466-N470 VanDerWaalsContact O-CA 3.27Å; C466-N470 WeakPolarHBondContact O-CA 3.35Å; C466-N470 PolarHBondContact O-N 2.98Å
471	Q	77.4	Confident	83.7	Confident	85 Å²	85	49.3 Å²	49.3	40%	0.397	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.5	-178.1	-73.3	179.5	11.1	0	0	112.2	I465 C466 C469 L473 H481	I465-Q471 WeakPolarHBondContact CA-O 3.46Å; C466-Q471 PolarHBondContact N-O 2.99Å; C466-Q471 PolarHBondContact O-N 2.79Å; C469-Q471 HydrophobicContact CB-CG 4.39Å; C469-Q471 PolarHBondContact O-N 2.97Å; Q471-L473 HydrophobicContact CB-CD2 4.45Å; Q471-H481 PolarHBondContact OE1-CE1 3.02Å; Q471-H481 PolarHBondContact OE1-ND1 3.43Å
472	W	80.7	Confident	85.1	Confident	50 Å²	50	43.5 Å²	43.5	19%	0.189	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.4	165.5	-67.8	67	0	0	0	109.8	L463 Y464 I465 F615 I622	L463-W472 HydrophobicContact CB-CE3 4.17Å; L463-W472 HydrophobicContact CB-CZ3 4.06Å; L463-W472 HydrophobicContact CD1-CE3 3.92Å; L463-W472 HydrophobicContact CD1-CZ3 3.59Å; L463-W472 HydrophobicContact CG-CZ3 4.43Å; Y464-W472 CarbonylContact O-C 3.6Å; Y464-W472 WeakPolarHBondContact O-CA 3.39Å; I465-W472 HydrophobicContact CD1-CD2 3.78Å; I465-W472 VanDerWaalsContact CD1-CE2 3.48Å; I465-W472 HydrophobicContact CD1-CE3 3.88Å; I465-W472 HydrophobicContact CD1-CH2 3.54Å; I465-W472 HydrophobicContact CD1-CZ2 3.4Å; I465-W472 HydrophobicContact CD1-CZ3 3.75Å; I465-W472 HydrophobicContact CG1-CD2 3.66Å; I465-W472 HydrophobicContact CG1-CE3 3.68Å; I465-W472 HydrophobicContact CG1-CG 4.19Å; I465-W472 HydrophobicContact CG1-CH2 4.27Å; I465-W472 HydrophobicContact CG1-CZ2 4.25Å; I465-W472 HydrophobicContact CG1-CZ3 3.97Å; W472-F615 HydrophobicContact CB-CZ 4.08Å; W472-F615 AromaticContact CD1-CE1 3.92Å; W472-F615 AromaticContact CD1-CZ 3.38Å; W472-F615 AromaticContact CG-CZ 3.91Å; W472-F615 HydrophobicContact CG-CZ 3.91Å; W472-I622 HydrophobicContact CH2-CD1 4.33Å; W472-I622 HydrophobicContact CZ2-CD1 4.32Å
473	L	84.1	Confident	85.9	Confident	15 Å²	15	44 Å²	44	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.3	-166.9	-61.5	165.5	0	0	0	110.7	M451 Y464 C466 Q471 V478 H481	M451-L473 HydrophobicContact CE-CD1 3.84Å; M451-L473 HydrophobicContact SD-CD1 4.11Å; Y464-L473 WeakPolarHBondContact CB-O 3.33Å; Y464-L473 PolarHBondContact N-O 3.26Å; Y464-L473 PolarHBondContact O-N 2.72Å; C466-L473 HydrophobicContact CB-CD1 4.39Å; Q471-L473 HydrophobicContact CB-CD2 4.45Å; L473-V478 HydrophobicContact CB-CG2 4.1Å; L473-H481 HydrophobicContact CD1-CB 3.67Å; L473-H481 VanDerWaalsContact CD1-CG 3.46Å; L473-H481 HydrophobicContact CD2-CB 3.99Å
474	P	78.6	Confident	86.8	Confident	38 Å²	38	44.6 Å²	44.6	25%	0.247	23%	0.234	C	C	.	.			trans	-73.7	154.1	165.3	33.1	-36.5	0	0	0	110.1	K476 S477	P474-K476 PolarHBondContact O-N 2.9Å; P474-S477 WeakPolarHBondContact CG-OG 3.32Å; P474-S477 PolarHBondContact O-N 3.41Å
475	K	83.3	Confident	87	Confident	76 Å²	76	49.1 Å²	49.1	33%	0.33	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43	-37.6	-179.1	-168.7	173.8	-172.2	173.5	0	114.9	K433 I434 Y464 S477	K433-K475 WeakPolarHBondContact O-CE 3.48Å; K433-K475 PolarHBondContact O-NZ 3.33Å; I434-K475 HydrophobicContact CD1-CG 4.19Å; I434-K475 WeakPolarHBondContact CD1-O 3.46Å; I434-K475 HydrophobicContact CG1-CG 4.39Å; Y464-K475 HydrophobicContact CD2-CB 4.44Å; Y464-K475 HydrophobicContact CE2-CB 3.67Å; Y464-K475 HydrophobicContact CE2-CG 4.04Å; K475-S477 PolarHBondContact O-N 2.85Å
476	K	81.7	Confident	87.3	Confident	182 Å²	182	52.5 Å²	52.5	79%	0.791	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-21	-178	-61	175.7	-175.9	171.6	0	114.2	P474	P474-K476 PolarHBondContact O-N 2.9Å
477	S	86.9	Confident	87.5	Confident	46 Å²	46	52.5 Å²	52.5	32%	0.322	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-14.6	-175.5	-59.5	0	0	0	0	114	P474 K475 I479 N480 H481	P474-S477 WeakPolarHBondContact CG-OG 3.32Å; P474-S477 PolarHBondContact O-N 3.41Å; K475-S477 PolarHBondContact O-N 2.85Å; S477-I479 PolarHBondContact O-N 3.29Å; S477-N480 PolarHBondContact O-N 2.9Å; S477-H481 WeakPolarHBondContact O-CB 3.41Å; S477-H481 PolarHBondContact O-N 2.89Å
478	V	89.9	Confident	87.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-45.3	-172.3	-177.5	0	0	0	0	112.4	I434 M451 Y464 L473 H481 L482	I434-V478 HydrophobicContact CD1-CB 3.48Å; I434-V478 VanDerWaalsContact CD1-CB 3.48Å; I434-V478 HydrophobicContact CD1-CG1 3.9Å; I434-V478 HydrophobicContact CD1-CG2 3.68Å; M451-V478 HydrophobicContact CE-CG1 3.86Å; M451-V478 HydrophobicContact CG-CG1 4Å; M451-V478 HydrophobicContact SD-CG1 3.86Å; Y464-V478 HydrophobicContact CD1-CG2 3.83Å; Y464-V478 HydrophobicContact CD2-CG2 3.97Å; Y464-V478 HydrophobicContact CG-CG2 3.53Å; L473-V478 HydrophobicContact CB-CG2 4.1Å; V478-H481 PolarHBondContact O-N 3.26Å; V478-L482 HydrophobicContact CG1-CD1 3.96Å; V478-L482 HydrophobicContact CG1-CG 4.4Å; V478-L482 WeakPolarHBondContact O-CG 3.21Å; V478-L482 PolarHBondContact O-N 2.71Å
479	I	90.5	Very high	87.9	Confident	30 Å²	30	52 Å²	52	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-46.2	177.4	-55.6	-59.2	0	0	0	110.6	F437 L438 S477 H481 L482 C483	F437-I479 HydrophobicContact CB-CD1 4.32Å; F437-I479 HydrophobicContact CB-CG1 4.24Å; L438-I479 HydrophobicContact CD2-CD1 3.68Å; L438-I479 HydrophobicContact CG-CD1 4.32Å; S477-I479 PolarHBondContact O-N 3.29Å; I479-H481 VanDerWaalsContact C-N 3.26Å; I479-H481 PolarHBondContact O-N 3.48Å; I479-L482 PolarHBondContact O-N 2.82Å; I479-C483 WeakPolarHBondContact O-CB 3.2Å; I479-C483 PolarHBondContact O-N 2.9Å; I479-C483 PolarHBondContact O-SG 3.37Å; I479-C483 VanDerWaalsContact O-SG 3.34Å
480	N	89.7	Confident	88.1	Confident	123 Å²	123	53.1 Å²	53.1	66%	0.658	28%	0.275	S	S	*	.	H	α-helix	trans	-63.1	-33.7	178.7	-64.9	7.8	0	0	0	112.1	S477 S484	S477-N480 PolarHBondContact O-N 2.9Å; N480-S484 WeakPolarHBondContact O-CB 3.33Å; N480-S484 PolarHBondContact O-N 2.87Å
481	H	92.9	Very high	88.5	Confident	13 Å²	13	47.7 Å²	47.7	6%	0.06	25%	0.246	C	C	.	.	H	α-helix	trans	-69.3	-51	173.9	177	94.4	0	0	0	111.8	C466 C469 Q471 L473 S477 V478 I479 C483 S484 H487	C466-H481 WeakPolarHBondContact CB-NE2 3.14Å; C466-H481 PolarHBondContact SG-NE2 2.86Å; C469-H481 VanDerWaalsContact CB-CE1 3.42Å; C469-H481 WeakPolarHBondContact CB-CE1 3.34Å; C469-H481 PolarHBondContact SG-NE2 2.94Å; Q471-H481 PolarHBondContact OE1-CE1 3.02Å; Q471-H481 PolarHBondContact OE1-ND1 3.43Å; L473-H481 HydrophobicContact CD1-CB 3.67Å; L473-H481 VanDerWaalsContact CD1-CG 3.46Å; L473-H481 HydrophobicContact CD2-CB 3.99Å; S477-H481 WeakPolarHBondContact O-CB 3.41Å; S477-H481 PolarHBondContact O-N 2.89Å; V478-H481 PolarHBondContact O-N 3.26Å; I479-H481 VanDerWaalsContact C-N 3.26Å; I479-H481 PolarHBondContact O-N 3.48Å; H481-C483 PolarHBondContact O-N 3.41Å; H481-S484 WeakPolarHBondContact O-CB 3.42Å; H481-S484 PolarHBondContact O-N 2.91Å; H481-S484 PolarHBondContact O-OG 3.43Å; H481-H487 AromaticContact CD2-ND1 3.77Å; H481-H487 AromaticContact NE2-ND1 3.47Å; H481-H487 PolarHBondContact NE2-ND1 3.18Å; H481-H487 WeakPolarHBondContact O-CB 3.45Å
482	L	92.5	Very high	89.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-34.3	179.1	-70	170.6	0	0	0	112.4	L438 L445 L448 M451 V478 I479 S484 H487	L438-L482 HydrophobicContact CD2-CD1 4.18Å; L445-L482 HydrophobicContact CD2-CB 3.72Å; L445-L482 HydrophobicContact CD2-CD1 4.12Å; L448-L482 HydrophobicContact CD1-CD1 3.64Å; M451-L482 HydrophobicContact CE-CD1 4.43Å; M451-L482 HydrophobicContact CE-CD2 3.64Å; M451-L482 HydrophobicContact CE-CG 3.92Å; V478-L482 HydrophobicContact CG1-CD1 3.96Å; V478-L482 HydrophobicContact CG1-CG 4.4Å; V478-L482 WeakPolarHBondContact O-CG 3.21Å; V478-L482 PolarHBondContact O-N 2.71Å; I479-L482 PolarHBondContact O-N 2.82Å; L482-S484 VanDerWaalsContact C-N 3.33Å; L482-H487 PolarHBondContact O-CD2 3.43Å; L482-H487 VanDerWaalsContact O-CD2 3.25Å
483	C	91.5	Very high	89.8	Confident	26 Å²	26	44.9 Å²	44.9	18%	0.176	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.8	175	-62.2	0	0	0	0	114	Q443 I479 H481 R488	Q443-C483 HydrophobicContact CB-CB 4.49Å; Q443-C483 VanDerWaalsContact CB-SG 3.52Å; I479-C483 WeakPolarHBondContact O-CB 3.2Å; I479-C483 PolarHBondContact O-N 2.9Å; I479-C483 PolarHBondContact O-SG 3.37Å; I479-C483 VanDerWaalsContact O-SG 3.34Å; H481-C483 PolarHBondContact O-N 3.41Å; C483-R488 PolarHBondContact O-NH1 2.82Å
484	S	92.2	Very high	89.9	Confident	30 Å²	30	47.6 Å²	47.6	21%	0.21	25%	0.254	C	S	.	.	S	Bend	trans	-71.2	151.6	-175.6	73.6	0	0	0	0	112.8	N480 H481 L482 V486 H487 R488	N480-S484 WeakPolarHBondContact O-CB 3.33Å; N480-S484 PolarHBondContact O-N 2.87Å; H481-S484 WeakPolarHBondContact O-CB 3.42Å; H481-S484 PolarHBondContact O-N 2.91Å; H481-S484 PolarHBondContact O-OG 3.43Å; L482-S484 VanDerWaalsContact C-N 3.33Å; S484-V486 PolarHBondContact O-N 3.46Å; S484-H487 PolarHBondContact O-N 3.43Å; S484-H487 WeakPolarHBondContact OG-CB 3.2Å; S484-H487 PolarHBondContact OG-N 2.9Å; S484-H487 VanDerWaalsContact OG-N 3.11Å; S484-R488 WeakPolarHBondContact O-CB 3.25Å; S484-R488 WeakPolarHBondContact O-CG 3.48Å; S484-R488 PolarHBondContact O-N 3.42Å
485	I	91.4	Very high	90.3	Very high	94 Å²	94	49.9 Å²	49.9	48%	0.482	26%	0.259	S	S	.	.	H	α-helix	trans	-56.3	-39.8	173.4	-65.1	176.4	0	0	0	110.8	K489 A514 L517	I485-K489 HydrophobicContact CG2-CG 4.44Å; I485-K489 WeakPolarHBondContact O-CB 3.34Å; I485-K489 PolarHBondContact O-N 3.12Å; I485-A514 HydrophobicContact CD1-CB 4.13Å; I485-L517 HydrophobicContact CB-CD2 4.06Å; I485-L517 HydrophobicContact CG1-CD2 4.12Å; I485-L517 HydrophobicContact CG2-CD2 3.75Å
486	V	91	Very high	90.5	Very high	88 Å²	88	47 Å²	47	53%	0.533	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-54.3	-179.4	-178.9	0	0	0	0	111.5	S484 R488 K489 T490	S484-V486 PolarHBondContact O-N 3.46Å; V486-R488 VanDerWaalsContact C-N 3.34Å; V486-R488 PolarHBondContact O-N 2.87Å; V486-K489 PolarHBondContact O-N 2.65Å; V486-T490 WeakPolarHBondContact O-CB 3.34Å; V486-T490 PolarHBondContact O-N 2.99Å; V486-T490 PolarHBondContact O-OG1 2.99Å
487	H	93.9	Very high	90.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-43.6	179.7	177	88.4	0	0	0	111.5	I446 C466 H481 L482 S484 T490 Y491	I446-H487 PolarHBondContact O-NE2 3.05Å; C466-H487 PolarHBondContact SG-ND1 3.06Å; C466-H487 VanDerWaalsContact SG-ND1 3.43Å; H481-H487 AromaticContact CD2-ND1 3.77Å; H481-H487 AromaticContact NE2-ND1 3.47Å; H481-H487 PolarHBondContact NE2-ND1 3.18Å; H481-H487 WeakPolarHBondContact O-CB 3.45Å; L482-H487 PolarHBondContact O-CD2 3.43Å; L482-H487 VanDerWaalsContact O-CD2 3.25Å; S484-H487 PolarHBondContact O-N 3.43Å; S484-H487 WeakPolarHBondContact OG-CB 3.2Å; S484-H487 PolarHBondContact OG-N 2.9Å; S484-H487 VanDerWaalsContact OG-N 3.11Å; H487-T490 PolarHBondContact O-N 3.4Å; H487-Y491 PolarHBondContact O-N 3.09Å
488	R	93.6	Very high	91	Very high	12 Å²	12	38 Å²	38	5%	0.045	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-48.8	177.9	-69.2	178.5	174.3	162.7	3	112	P444 I446 C483 S484 V486 T490 Y491 L492 L517 A521	P444-R488 PolarHBondContact O-NH2 3.08Å; I446-R488 HydrophobicContact CD1-CB 4.17Å; I446-R488 HydrophobicContact CD1-CG 4.03Å; I446-R488 HydrophobicContact CG1-CG 4.21Å; C483-R488 PolarHBondContact O-NH1 2.82Å; S484-R488 WeakPolarHBondContact O-CB 3.25Å; S484-R488 WeakPolarHBondContact O-CG 3.48Å; S484-R488 PolarHBondContact O-N 3.42Å; V486-R488 VanDerWaalsContact C-N 3.34Å; V486-R488 PolarHBondContact O-N 2.87Å; R488-T490 VanDerWaalsContact C-N 3.35Å; R488-T490 PolarHBondContact O-N 2.89Å; R488-Y491 PolarHBondContact O-N 3.32Å; R488-L492 WeakPolarHBondContact O-CD1 3.12Å; R488-L492 PolarHBondContact O-N 3.23Å; R488-L517 HydrophobicContact CB-CD1 3.87Å; R488-L517 HydrophobicContact CB-CD2 4.08Å; R488-L517 HydrophobicContact CB-CG 3.99Å; R488-A521 HydrophobicContact CG-CB 4.44Å
489	K	92.2	Very high	91	Very high	48 Å²	48	38 Å²	38	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-42.3	175.4	-81.5	-155.3	175.9	-151.1	0	111.9	I485 V486 Y491 L492 N493 F500 I503 D504 L517	I485-K489 HydrophobicContact CG2-CG 4.44Å; I485-K489 WeakPolarHBondContact O-CB 3.34Å; I485-K489 PolarHBondContact O-N 3.12Å; V486-K489 PolarHBondContact O-N 2.65Å; K489-Y491 PolarHBondContact O-N 3.2Å; K489-L492 PolarHBondContact O-N 3.25Å; K489-N493 WeakPolarHBondContact O-CB 3.36Å; K489-N493 PolarHBondContact O-N 3.5Å; K489-F500 HydrophobicContact CB-CE2 4.2Å; K489-F500 HydrophobicContact CD-CE2 4.4Å; K489-F500 WeakPolarHBondContact O-CD2 3.44Å; K489-I503 HydrophobicContact CD-CG2 4.36Å; K489-I503 VanDerWaalsContact CE-CG2 3.41Å; K489-D504 IonicContact NZ-OD1 3.49Å; K489-L517 HydrophobicContact CG-CD1 4.17Å; K489-L517 HydrophobicContact CG-CD2 4.18Å
490	T	92.3	Very high	91	Very high	45 Å²	45	37.4 Å²	37.4	28%	0.276	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-39.5	178.7	-49.4	0	0	0	0	111.7	L468 V486 H487 R488 N493 T494	L468-T490 HydrophobicContact CD1-CG2 4.07Å; L468-T490 HydrophobicContact CD2-CG2 4.45Å; L468-T490 HydrophobicContact CG-CG2 3.82Å; V486-T490 WeakPolarHBondContact O-CB 3.34Å; V486-T490 PolarHBondContact O-N 2.99Å; V486-T490 PolarHBondContact O-OG1 2.99Å; H487-T490 PolarHBondContact O-N 3.4Å; R488-T490 VanDerWaalsContact C-N 3.35Å; R488-T490 PolarHBondContact O-N 2.89Å; T490-N493 PolarHBondContact O-N 3.34Å; T490-T494 PolarHBondContact O-N 3.07Å; T490-T494 VanDerWaalsContact O-N 3.13Å; T490-T494 PolarHBondContact O-OG1 3.22Å
491	Y	93.2	Very high	91	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-46.5	175.4	-169.9	-97.9	0	0	0	112.1	I446 G447 Y450 L468 H487 R488 K489 T494 Y495 Y496 I524 E528 K531	I446-Y491 HydrophobicContact CB-CD1 3.99Å; I446-Y491 HydrophobicContact CB-CE1 4.08Å; I446-Y491 HydrophobicContact CB-CG 4.43Å; I446-Y491 HydrophobicContact CD1-CD1 3.78Å; I446-Y491 HydrophobicContact CD1-CG 4.21Å; I446-Y491 HydrophobicContact CG1-CD1 4.13Å; I446-Y491 HydrophobicContact CG1-CG 4.32Å; G447-Y491 VanDerWaalsContact CA-CD2 3.42Å; Y450-Y491 HydrophobicContact CD2-CD2 4.37Å; Y450-Y491 HydrophobicContact CD2-CE2 4.12Å; Y450-Y491 HydrophobicContact CE2-CD2 4.38Å; Y450-Y491 AromaticContact CE2-CE2 3.8Å; Y450-Y491 HydrophobicContact CE2-CE2 3.8Å; L468-Y491 HydrophobicContact CD2-CD2 3.96Å; L468-Y491 HydrophobicContact CD2-CG 4.44Å; H487-Y491 PolarHBondContact O-N 3.09Å; R488-Y491 PolarHBondContact O-N 3.32Å; K489-Y491 PolarHBondContact O-N 3.2Å; Y491-T494 PolarHBondContact O-N 3.41Å; Y491-Y495 AromaticContact CD2-CD2 3.97Å; Y491-Y495 HydrophobicContact CD2-CD2 3.97Å; Y491-Y495 HydrophobicContact CD2-CE2 4.42Å; Y491-Y495 AromaticContact CE2-CD2 3.8Å; Y491-Y495 HydrophobicContact CE2-CD2 3.8Å; Y491-Y495 HydrophobicContact CE2-CE2 4.27Å; Y491-Y495 PolarHBondContact O-N 3.19Å; Y491-Y496 HydrophobicContact CD1-CD2 4.36Å; Y491-Y496 AromaticContact CE1-CD2 3.98Å; Y491-Y496 HydrophobicContact CE1-CD2 3.98Å; Y491-Y496 AromaticContact CE1-CE2 3.9Å; Y491-Y496 HydrophobicContact CE1-CE2 3.9Å; Y491-I524 HydrophobicContact CE1-CG2 3.85Å; Y491-E528 PolarHBondContact OH-OE2 3.37Å; Y491-K531 PolarHBondContact OH-NZ 3.17Å
492	L	92.6	Very high	90.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-45.9	176.9	-81.3	151	0	0	0	111.5	R488 K489 T494 Y496 L497 L499 F500 I503 L517 I524	R488-L492 WeakPolarHBondContact O-CD1 3.12Å; R488-L492 PolarHBondContact O-N 3.23Å; K489-L492 PolarHBondContact O-N 3.25Å; L492-T494 VanDerWaalsContact C-N 3.25Å; L492-T494 PolarHBondContact O-N 2.85Å; L492-Y496 CarbonylContact O-C 3.55Å; L492-Y496 VanDerWaalsContact O-CA 3.29Å; L492-Y496 WeakPolarHBondContact O-CA 3.38Å; L492-Y496 PolarHBondContact O-N 3.16Å; L492-L497 PolarHBondContact O-N 3.43Å; L492-L499 HydrophobicContact CD2-CB 3.53Å; L492-L499 HydrophobicContact CD2-CD1 4.07Å; L492-L499 HydrophobicContact CD2-CG 4.45Å; L492-F500 HydrophobicContact CB-CB 4.07Å; L492-F500 HydrophobicContact CB-CD2 4.24Å; L492-I503 HydrophobicContact CD1-CD1 4.17Å; L492-L517 HydrophobicContact CD1-CD1 3.26Å; L492-I524 HydrophobicContact CD2-CD1 3.56Å; L492-I524 HydrophobicContact CG-CD1 4.23Å
493	N	91	Very high	90.6	Very high	75 Å²	75	34.3 Å²	34.3	40%	0.401	18%	0.178	S	C	.	.	H	α-helix	trans	-60.2	-34.7	176.5	-169.7	28.6	0	0	0	112.6	K489 T490 F500	K489-N493 WeakPolarHBondContact O-CB 3.36Å; K489-N493 PolarHBondContact O-N 3.5Å; T490-N493 PolarHBondContact O-N 3.34Å; N493-F500 HydrophobicContact CB-CD1 3.76Å; N493-F500 HydrophobicContact CB-CD2 3.76Å; N493-F500 HydrophobicContact CB-CE1 3.83Å; N493-F500 HydrophobicContact CB-CE2 3.84Å; N493-F500 HydrophobicContact CB-CG 3.73Å; N493-F500 HydrophobicContact CB-CZ 3.88Å; N493-F500 VanDerWaalsContact CG-CE1 3.47Å; N493-F500 VanDerWaalsContact OD1-CD1 3.22Å; N493-F500 WeakPolarHBondContact OD1-CD1 3.24Å; N493-F500 WeakPolarHBondContact OD1-CE1 3.14Å
494	T	87.1	Confident	90.4	Very high	71 Å²	71	36.4 Å²	36.4	44%	0.436	19%	0.187	S	C	.	.	H	α-helix	trans	-83.4	-34.5	-174.4	-47.3	0	0	0	0	113.4	L468 T490 Y491 L492	L468-T494 HydrophobicContact CD1-CG2 4.47Å; T490-T494 PolarHBondContact O-N 3.07Å; T490-T494 VanDerWaalsContact O-N 3.13Å; T490-T494 PolarHBondContact O-OG1 3.22Å; Y491-T494 PolarHBondContact O-N 3.41Å; L492-T494 VanDerWaalsContact C-N 3.25Å; L492-T494 PolarHBondContact O-N 2.85Å
495	Y	86.1	Confident	89.9	Confident	87 Å²	87	39.1 Å²	39.1	34%	0.341	19%	0.193	S	C	.	.	H	α-helix	trans	-126.7	-15.1	-171.4	-62.2	-73.5	0	0	0	115.3	Y450 L468 Y491	Y450-Y495 HydrophobicContact CE1-CE2 4.27Å; Y450-Y495 WeakPolarHBondContact CE1-OH 3.44Å; Y450-Y495 AromaticContact CE2-CE2 3.81Å; Y450-Y495 HydrophobicContact CE2-CE2 3.81Å; Y450-Y495 AromaticContact CZ-CE2 3.59Å; Y450-Y495 AromaticContact CZ-CZ 3.55Å; Y450-Y495 PolarHBondContact OH-OH 3.02Å; L468-Y495 HydrophobicContact CD1-CE2 4.46Å; Y491-Y495 AromaticContact CD2-CD2 3.97Å; Y491-Y495 HydrophobicContact CD2-CD2 3.97Å; Y491-Y495 HydrophobicContact CD2-CE2 4.42Å; Y491-Y495 AromaticContact CE2-CD2 3.8Å; Y491-Y495 HydrophobicContact CE2-CD2 3.8Å; Y491-Y495 HydrophobicContact CE2-CE2 4.27Å; Y491-Y495 PolarHBondContact O-N 3.19Å
496	Y	89.2	Confident	89.6	Confident	15 Å²	15	34.9 Å²	34.9	6%	0.059	17%	0.171	C	C	.	.			trans	-135.9	48.1	-172.8	-72.1	-84.8	0	0	0	110.5	Y491 L492 P498 L499 F500 I524 E528 L718 L721	Y491-Y496 HydrophobicContact CD1-CD2 4.36Å; Y491-Y496 AromaticContact CE1-CD2 3.98Å; Y491-Y496 HydrophobicContact CE1-CD2 3.98Å; Y491-Y496 AromaticContact CE1-CE2 3.9Å; Y491-Y496 HydrophobicContact CE1-CE2 3.9Å; L492-Y496 CarbonylContact O-C 3.55Å; L492-Y496 VanDerWaalsContact O-CA 3.29Å; L492-Y496 WeakPolarHBondContact O-CA 3.38Å; L492-Y496 PolarHBondContact O-N 3.16Å; Y496-P498 VanDerWaalsContact C-CD 3.43Å; Y496-P498 VanDerWaalsContact C-N 3.33Å; Y496-P498 VanDerWaalsContact O-N 3.14Å; Y496-L499 HydrophobicContact CD1-CD1 4.3Å; Y496-L499 WeakPolarHBondContact O-CB 3.49Å; Y496-L499 PolarHBondContact O-N 2.92Å; Y496-F500 PolarHBondContact O-N 3.23Å; Y496-F500 VanDerWaalsContact O-N 3.09Å; Y496-I524 HydrophobicContact CD1-CD1 4.24Å; Y496-I524 HydrophobicContact CD1-CG1 4.29Å; Y496-I524 HydrophobicContact CD2-CD1 3.88Å; Y496-I524 HydrophobicContact CD2-CG1 4.36Å; Y496-I524 HydrophobicContact CD2-CG2 4.4Å; Y496-I524 HydrophobicContact CE1-CG1 4.36Å; Y496-I524 HydrophobicContact CE2-CD1 4.41Å; Y496-I524 HydrophobicContact CE2-CG1 4.44Å; Y496-I524 HydrophobicContact CE2-CG2 3.94Å; Y496-I524 HydrophobicContact CG-CD1 3.83Å; Y496-I524 HydrophobicContact CG-CG1 4.33Å; Y496-E528 VanDerWaalsContact OH-CG 3.3Å; Y496-E528 WeakPolarHBondContact OH-CG 3.38Å; Y496-E528 PolarHBondContact OH-OE1 3.3Å; Y496-L718 HydrophobicContact CD1-CD2 3.95Å; Y496-L718 HydrophobicContact CE1-CD2 3.5Å; Y496-L718 VanDerWaalsContact CE1-CD2 3.5Å; Y496-L721 HydrophobicContact CD1-CD1 3.52Å; Y496-L721 HydrophobicContact CE1-CD1 3.71Å
497	L	89	Confident	89.1	Confident	36 Å²	36	40.3 Å²	40.3	19%	0.188	18%	0.184	C	C	.	.	H	α-helix	trans	-49.5	-39.6	-171.5	-171.1	64.4	0	0	0	114.5	L492 L499 F500 R501	L492-L497 PolarHBondContact O-N 3.43Å; L497-L499 PolarHBondContact O-N 2.9Å; L497-F500 HydrophobicContact CD1-CD1 4.18Å; L497-F500 WeakPolarHBondContact O-CB 3.4Å; L497-F500 PolarHBondContact O-N 2.85Å; L497-R501 HydrophobicContact CD1-CG 4.36Å; L497-R501 HydrophobicContact CG-CG 4.33Å; L497-R501 WeakPolarHBondContact O-CB 3.22Å; L497-R501 VanDerWaalsContact O-CG 3.29Å; L497-R501 WeakPolarHBondContact O-CG 3.3Å; L497-R501 PolarHBondContact O-N 3.29Å
498	P	88.4	Confident	88.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.013	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-38.5	175.1	-21.5	32	0	0	0	113.7	Y496 R501 I502 I671 Y679 V717	Y496-P498 VanDerWaalsContact C-CD 3.43Å; Y496-P498 VanDerWaalsContact C-N 3.33Å; Y496-P498 VanDerWaalsContact O-N 3.14Å; P498-R501 PolarHBondContact O-N 3.09Å; P498-I502 WeakPolarHBondContact O-CG1 3.41Å; P498-I502 PolarHBondContact O-N 3.36Å; P498-I502 VanDerWaalsContact O-N 3.15Å; P498-I671 HydrophobicContact CG-CG2 4.27Å; P498-Y679 HydrophobicContact CB-CD1 4.15Å; P498-Y679 HydrophobicContact CG-CD1 4.18Å; P498-V717 HydrophobicContact CB-CG1 4Å; P498-V717 HydrophobicContact CG-CG1 4.44Å
499	L	91.3	Very high	88	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.1	-35.6	175.4	-67.5	178.8	0	0	0	111.6	L492 Y496 L497 I502 I503 Y520 I524 V717	L492-L499 HydrophobicContact CD2-CB 3.53Å; L492-L499 HydrophobicContact CD2-CD1 4.07Å; L492-L499 HydrophobicContact CD2-CG 4.45Å; Y496-L499 HydrophobicContact CD1-CD1 4.3Å; Y496-L499 WeakPolarHBondContact O-CB 3.49Å; Y496-L499 PolarHBondContact O-N 2.92Å; L497-L499 PolarHBondContact O-N 2.9Å; L499-I502 HydrophobicContact CD2-CD1 4.43Å; L499-I502 PolarHBondContact O-N 3.13Å; L499-I503 PolarHBondContact O-N 3.19Å; L499-Y520 HydrophobicContact CB-CD2 3.83Å; L499-Y520 HydrophobicContact CB-CE2 4.05Å; L499-Y520 HydrophobicContact CD1-CD2 4.42Å; L499-Y520 HydrophobicContact CD2-CD2 3.9Å; L499-Y520 HydrophobicContact CD2-CE2 3.76Å; L499-Y520 HydrophobicContact CD2-CG 4.4Å; L499-Y520 HydrophobicContact CG-CD2 4.26Å; L499-Y520 HydrophobicContact CG-CE2 4.46Å; L499-I524 HydrophobicContact CD1-CD1 4.03Å; L499-I524 HydrophobicContact CD1-CG1 4.35Å; L499-V717 HydrophobicContact CD2-CB 3.79Å; L499-V717 HydrophobicContact CD2-CG1 4.03Å; L499-V717 HydrophobicContact CD2-CG2 3.85Å; L499-V717 HydrophobicContact CG-CB 4.22Å; L499-V717 HydrophobicContact CG-CG1 3.9Å
500	F	90.7	Very high	87.6	Confident	19 Å²	19	52.6 Å²	52.6	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-46	172.6	-177.2	-109.5	0	0	0	111.7	K489 L492 N493 Y496 L497 I502 I503 D504	K489-F500 HydrophobicContact CB-CE2 4.2Å; K489-F500 HydrophobicContact CD-CE2 4.4Å; K489-F500 WeakPolarHBondContact O-CD2 3.44Å; L492-F500 HydrophobicContact CB-CB 4.07Å; L492-F500 HydrophobicContact CB-CD2 4.24Å; N493-F500 HydrophobicContact CB-CD1 3.76Å; N493-F500 HydrophobicContact CB-CD2 3.76Å; N493-F500 HydrophobicContact CB-CE1 3.83Å; N493-F500 HydrophobicContact CB-CE2 3.84Å; N493-F500 HydrophobicContact CB-CG 3.73Å; N493-F500 HydrophobicContact CB-CZ 3.88Å; N493-F500 VanDerWaalsContact CG-CE1 3.47Å; N493-F500 VanDerWaalsContact OD1-CD1 3.22Å; N493-F500 WeakPolarHBondContact OD1-CD1 3.24Å; N493-F500 WeakPolarHBondContact OD1-CE1 3.14Å; Y496-F500 PolarHBondContact O-N 3.23Å; Y496-F500 VanDerWaalsContact O-N 3.09Å; L497-F500 HydrophobicContact CD1-CD1 4.18Å; L497-F500 WeakPolarHBondContact O-CB 3.4Å; L497-F500 PolarHBondContact O-N 2.85Å; F500-I502 VanDerWaalsContact C-N 3.29Å; F500-I502 PolarHBondContact O-N 3.31Å; F500-I503 CarbonylContact O-C 3.58Å; F500-I503 PolarHBondContact O-N 3.37Å; F500-D504 WeakPolarHBondContact CE1-OD2 3.04Å; F500-D504 WeakPolarHBondContact CZ-OD1 3.48Å; F500-D504 WeakPolarHBondContact CZ-OD2 3.44Å; F500-D504 PolarHBondContact O-N 3.33Å
501	R	88.4	Confident	87.2	Confident	68 Å²	68	53.7 Å²	53.7	26%	0.257	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-29.8	178.1	-70.5	-73.4	-178.3	-136.7	6.8	113.3	L497 P498 R505 D673 C676 I680	L497-R501 HydrophobicContact CD1-CG 4.36Å; L497-R501 HydrophobicContact CG-CG 4.33Å; L497-R501 WeakPolarHBondContact O-CB 3.22Å; L497-R501 VanDerWaalsContact O-CG 3.29Å; L497-R501 WeakPolarHBondContact O-CG 3.3Å; L497-R501 PolarHBondContact O-N 3.29Å; P498-R501 PolarHBondContact O-N 3.09Å; R501-R505 VanDerWaalsContact O-CG 3.32Å; R501-R505 WeakPolarHBondContact O-CG 3.23Å; R501-R505 PolarHBondContact O-N 2.9Å; R501-D673 IonicContact CZ-OD1 3.13Å; R501-D673 IonicContact CZ-OD2 2.77Å; R501-D673 IonicContact NE-OD1 2.73Å; R501-D673 PolarHBondContact NE-OD1 3.4Å; R501-D673 IonicContact NH2-OD1 2.75Å; R501-D673 PolarHBondContact NH2-OD1 3.05Å; R501-D673 IonicContact NH2-OD2 3.19Å; R501-D673 PolarHBondContact NH2-OD2 3.06Å; R501-C676 HydrophobicContact CB-CB 4.47Å; R501-C676 HydrophobicContact CG-CB 4.06Å; R501-I680 HydrophobicContact CB-CD1 3.8Å
502	I	89	Confident	86.8	Confident	1 Å²	1	55 Å²	55	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-44.2	169.9	-64.3	162.4	0	0	0	110.9	P498 L499 F500 R505 D506 Y520 I680 L683 L689 L691 V717	P498-I502 WeakPolarHBondContact O-CG1 3.41Å; P498-I502 PolarHBondContact O-N 3.36Å; P498-I502 VanDerWaalsContact O-N 3.15Å; L499-I502 HydrophobicContact CD2-CD1 4.43Å; L499-I502 PolarHBondContact O-N 3.13Å; F500-I502 VanDerWaalsContact C-N 3.29Å; F500-I502 PolarHBondContact O-N 3.31Å; I502-R505 PolarHBondContact O-N 2.96Å; I502-D506 PolarHBondContact O-N 2.91Å; I502-Y520 HydrophobicContact CB-CE2 4.48Å; I502-Y520 HydrophobicContact CG2-CE2 4.5Å; I502-Y520 VanDerWaalsContact CG2-OH 3.27Å; I502-Y520 WeakPolarHBondContact CG2-OH 3.2Å; I502-I680 HydrophobicContact CG1-CD1 4.36Å; I502-I680 HydrophobicContact CG1-CG1 3.89Å; I502-L683 HydrophobicContact CD1-CD1 3.67Å; I502-L689 HydrophobicContact CD1-CD2 4.42Å; I502-L689 HydrophobicContact CG1-CD2 4.09Å; I502-L689 HydrophobicContact CG2-CD1 3.71Å; I502-L689 HydrophobicContact CG2-CD2 4.37Å; I502-L691 HydrophobicContact CG2-CD2 4.46Å; I502-V717 HydrophobicContact CD1-CG2 4.42Å
503	I	88.6	Confident	86.5	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-69.9	-32.9	-180	-72.5	178.2	0	0	0	112.6	K489 L492 L499 F500 R505 D506 R516 L517 Y520	K489-I503 HydrophobicContact CD-CG2 4.36Å; K489-I503 VanDerWaalsContact CE-CG2 3.41Å; L492-I503 HydrophobicContact CD1-CD1 4.17Å; L499-I503 PolarHBondContact O-N 3.19Å; F500-I503 CarbonylContact O-C 3.58Å; F500-I503 PolarHBondContact O-N 3.37Å; I503-R505 VanDerWaalsContact C-N 3.25Å; I503-R505 PolarHBondContact O-N 3.48Å; I503-D506 WeakPolarHBondContact O-CB 3.27Å; I503-D506 PolarHBondContact O-N 3.21Å; I503-R516 HydrophobicContact CG1-CG 4.38Å; I503-L517 HydrophobicContact CD1-CB 4.14Å; I503-L517 HydrophobicContact CD1-CD1 3.72Å; I503-Y520 HydrophobicContact CD1-CD2 3.51Å; I503-Y520 HydrophobicContact CD1-CE2 3.84Å; I503-Y520 HydrophobicContact CD1-CG 4.37Å; I503-Y520 HydrophobicContact CG1-CD2 4.02Å; I503-Y520 HydrophobicContact CG1-CE2 3.79Å
504	D	86.2	Confident	86.4	Confident	70 Å²	70	55.3 Å²	55.3	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-73.8	-17.3	174.4	-88.7	10.2	0	0	0	113.2	K489 F500	K489-D504 IonicContact NZ-OD1 3.49Å; F500-D504 WeakPolarHBondContact CE1-OD2 3.04Å; F500-D504 WeakPolarHBondContact CZ-OD1 3.48Å; F500-D504 WeakPolarHBondContact CZ-OD2 3.44Å; F500-D504 PolarHBondContact O-N 3.33Å
505	R	83.3	Confident	86.5	Confident	86 Å²	86	53.8 Å²	53.8	33%	0.325	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-1	170.3	-72.2	177.9	163	-171.5	-7.3	113.6	R501 I502 I503 Y507 E677 L691	R501-R505 VanDerWaalsContact O-CG 3.32Å; R501-R505 WeakPolarHBondContact O-CG 3.23Å; R501-R505 PolarHBondContact O-N 2.9Å; I502-R505 PolarHBondContact O-N 2.96Å; I503-R505 VanDerWaalsContact C-N 3.25Å; I503-R505 PolarHBondContact O-N 3.48Å; R505-Y507 WeakPolarHBondContact O-CD2 3.23Å; R505-Y507 WeakPolarHBondContact O-CE2 3.23Å; R505-Y507 PolarHBondContact O-N 3.39Å; R505-Y507 VanDerWaalsContact O-N 3.14Å; R505-E677 IonicContact CZ-OE1 2.91Å; R505-E677 IonicContact CZ-OE2 3.24Å; R505-E677 IonicContact NE-OE1 3Å; R505-E677 IonicContact NH1-OE1 2.98Å; R505-E677 PolarHBondContact NH1-OE1 2.75Å; R505-E677 IonicContact NH1-OE2 2.7Å; R505-E677 PolarHBondContact NH1-OE2 2.99Å; R505-E677 IonicContact NH2-OE1 2.72Å; R505-E677 PolarHBondContact NH2-OE1 2.9Å; R505-E677 IonicContact NH2-OE2 2.75Å; R505-E677 PolarHBondContact NH2-OE2 2.84Å; R505-L691 HydrophobicContact CB-CD1 3.93Å
506	D	84.1	Confident	86.8	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.027	25%	0.245	C	C	.	.			trans	-84.9	88.1	-176.9	-167.5	6.5	0	0	0	111.1	I502 I503 S508 Q513 R516 L691	I502-D506 PolarHBondContact O-N 2.91Å; I503-D506 WeakPolarHBondContact O-CB 3.27Å; I503-D506 PolarHBondContact O-N 3.21Å; D506-S508 PolarHBondContact O-N 2.92Å; D506-S508 WeakPolarHBondContact OD1-CB 3.5Å; D506-S508 PolarHBondContact OD1-N 3.42Å; D506-S508 PolarHBondContact OD1-OG 3.12Å; D506-Q513 HydrophobicContact CB-CG 4.21Å; D506-Q513 VanDerWaalsContact O-CD 3.28Å; D506-Q513 PolarHBondContact O-NE2 2.79Å; D506-R516 IonicContact OD1-NH1 2.76Å; D506-R516 PolarHBondContact OD1-NH1 3.03Å; D506-R516 IonicContact OD2-CZ 2.68Å; D506-R516 IonicContact OD2-NH1 2.95Å; D506-R516 PolarHBondContact OD2-NH1 2.73Å; D506-L691 HydrophobicContact CB-CD2 4.48Å
507	Y	81	Confident	87	Confident	203 Å²	203	49.3 Å²	49.3	80%	0.796	24%	0.243	S	C	*	.			trans	-77.2	10.7	175.3	-57.2	-73.6	0	0	0	113.7	R505	R505-Y507 WeakPolarHBondContact O-CD2 3.23Å; R505-Y507 WeakPolarHBondContact O-CE2 3.23Å; R505-Y507 PolarHBondContact O-N 3.39Å; R505-Y507 VanDerWaalsContact O-N 3.14Å
508	S	81.6	Confident	87.1	Confident	39 Å²	39	50 Å²	50	27%	0.273	25%	0.245	S	C	.	.	S	Bend	trans	-68.3	169	173.5	-49	0	0	0	0	112.2	D506 Q513	D506-S508 PolarHBondContact O-N 2.92Å; D506-S508 WeakPolarHBondContact OD1-CB 3.5Å; D506-S508 PolarHBondContact OD1-N 3.42Å; D506-S508 PolarHBondContact OD1-OG 3.12Å; S508-Q513 PolarHBondContact O-NE2 3.02Å
509	D	83.3	Confident	87.4	Confident	110 Å²	110	50.9 Å²	50.9	59%	0.588	25%	0.251	S	S	*	.			trans	-49.2	146.8	175.3	-79.1	-37.4	0	0	0	113.3	S511 L512 Q513	D509-S511 WeakPolarHBondContact CB-OG 3.45Å; D509-S511 PolarHBondContact O-N 3.42Å; D509-L512 PolarHBondContact O-N 3.4Å; D509-Q513 PolarHBondContact O-N 3.16Å
510	K	83	Confident	87.5	Confident	168 Å²	168	50.9 Å²	50.9	73%	0.73	25%	0.251	S	S	*	.	H	α-helix	trans	-52.3	-29.4	177.3	-64.8	-178.7	179.9	179.1	0	112.5	A514	K510-A514 VanDerWaalsContact O-CB 3.3Å; K510-A514 WeakPolarHBondContact O-CB 3.32Å; K510-A514 PolarHBondContact O-N 2.87Å; K510-A514 VanDerWaalsContact O-N 3.08Å
511	S	83.3	Confident	87.7	Confident	68 Å²	68	50 Å²	50	48%	0.476	25%	0.247	S	C	.	.	H	α-helix	trans	-70.9	-42.1	174.7	52.3	0	0	0	0	113.5	D509 A514 C515	D509-S511 WeakPolarHBondContact CB-OG 3.45Å; D509-S511 PolarHBondContact O-N 3.42Å; S511-A514 PolarHBondContact O-N 3.01Å; S511-C515 WeakPolarHBondContact O-CB 3.49Å; S511-C515 PolarHBondContact O-N 2.77Å
512	L	86	Confident	88	Confident	28 Å²	28	51.4 Å²	51.4	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-45	174.9	-76.2	170.2	0	0	0	111	D509 A514 C515 R516 L700	D509-L512 PolarHBondContact O-N 3.4Å; L512-A514 VanDerWaalsContact C-N 3.3Å; L512-A514 PolarHBondContact O-N 2.9Å; L512-C515 WeakPolarHBondContact O-CB 3.39Å; L512-C515 PolarHBondContact O-N 2.8Å; L512-R516 PolarHBondContact O-N 2.97Å; L512-L700 HydrophobicContact CD1-CD1 4.01Å; L512-L700 HydrophobicContact CD2-CD1 4.02Å; L512-L700 HydrophobicContact CD2-CD2 4.06Å; L512-L700 HydrophobicContact CG-CD1 3.68Å
513	Q	86.4	Confident	88.2	Confident	50 Å²	50	53.3 Å²	53.3	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-56.1	-45	173.7	-67.4	-176.9	37.6	0	0	111.5	D506 S508 D509 C515 L517	D506-Q513 HydrophobicContact CB-CG 4.21Å; D506-Q513 VanDerWaalsContact O-CD 3.28Å; D506-Q513 PolarHBondContact O-NE2 2.79Å; S508-Q513 PolarHBondContact O-NE2 3.02Å; D509-Q513 PolarHBondContact O-N 3.16Å; Q513-C515 VanDerWaalsContact C-N 3.34Å; Q513-C515 PolarHBondContact O-N 2.72Å; Q513-L517 WeakPolarHBondContact O-CB 3.36Å; Q513-L517 PolarHBondContact O-N 3.05Å
514	A	88.5	Confident	88.3	Confident	34 Å²	34	53.2 Å²	53.2	28%	0.281	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-34.8	176.6	0	0	0	0	0	112.7	I485 K510 S511 L512 E518	I485-A514 HydrophobicContact CD1-CB 4.13Å; K510-A514 VanDerWaalsContact O-CB 3.3Å; K510-A514 WeakPolarHBondContact O-CB 3.32Å; K510-A514 PolarHBondContact O-N 2.87Å; K510-A514 VanDerWaalsContact O-N 3.08Å; S511-A514 PolarHBondContact O-N 3.01Å; L512-A514 VanDerWaalsContact C-N 3.3Å; L512-A514 PolarHBondContact O-N 2.9Å; A514-E518 PolarHBondContact O-N 2.75Å
515	C	89.5	Confident	88.6	Confident	39 Å²	39	51.1 Å²	51.1	26%	0.264	25%	0.248	S	C	.	.	H	α-helix	trans	-68.9	-49.6	175.7	-172.4	0	0	0	0	112	S511 L512 Q513 L517 E518 V519	S511-C515 WeakPolarHBondContact O-CB 3.49Å; S511-C515 PolarHBondContact O-N 2.77Å; L512-C515 WeakPolarHBondContact O-CB 3.39Å; L512-C515 PolarHBondContact O-N 2.8Å; Q513-C515 VanDerWaalsContact C-N 3.34Å; Q513-C515 PolarHBondContact O-N 2.72Å; C515-L517 VanDerWaalsContact C-N 3.28Å; C515-L517 PolarHBondContact O-N 2.64Å; C515-E518 PolarHBondContact O-N 3.49Å; C515-E518 VanDerWaalsContact O-N 3.13Å; C515-V519 WeakPolarHBondContact O-CG2 3.5Å; C515-V519 PolarHBondContact O-N 3.36Å
516	R	92	Very high	88.9	Confident	3 Å²	3	52.1 Å²	52.1	1%	0.011	26%	0.26	C	S	.	.	H	α-helix	trans	-56.1	-44.2	173.6	-175.5	-179.3	-106.8	140.5	-9.4	110.8	I503 D506 L512 E518 V519 Y520 F710 E713	I503-R516 HydrophobicContact CG1-CG 4.38Å; D506-R516 IonicContact OD1-NH1 2.76Å; D506-R516 PolarHBondContact OD1-NH1 3.03Å; D506-R516 IonicContact OD2-CZ 2.68Å; D506-R516 IonicContact OD2-NH1 2.95Å; D506-R516 PolarHBondContact OD2-NH1 2.73Å; L512-R516 PolarHBondContact O-N 2.97Å; R516-E518 PolarHBondContact O-N 3.33Å; R516-V519 PolarHBondContact O-N 2.7Å; R516-Y520 WeakPolarHBondContact CD-OH 3.08Å; R516-Y520 HydrophobicContact CG-CD1 4.1Å; R516-Y520 HydrophobicContact CG-CE1 3.56Å; R516-Y520 HydrophobicContact CG-CE2 4.03Å; R516-Y520 PolarHBondContact NE-OH 3.14Å; R516-Y520 WeakPolarHBondContact O-CB 3.34Å; R516-Y520 VanDerWaalsContact O-CD1 3.3Å; R516-Y520 WeakPolarHBondContact O-CD1 3.25Å; R516-Y520 PolarHBondContact O-N 2.96Å; R516-F710 HydrophobicContact CB-CD1 4.24Å; R516-F710 HydrophobicContact CB-CD2 3.77Å; R516-F710 HydrophobicContact CB-CE1 4.33Å; R516-F710 HydrophobicContact CB-CE2 3.85Å; R516-F710 HydrophobicContact CB-CG 3.98Å; R516-F710 HydrophobicContact CB-CZ 4.14Å; R516-F710 HydrophobicContact CG-CB 4.33Å; R516-F710 HydrophobicContact CG-CD1 3.97Å; R516-F710 HydrophobicContact CG-CD2 4.25Å; R516-F710 HydrophobicContact CG-CE1 4.37Å; R516-F710 HydrophobicContact CG-CG 3.92Å; R516-F710 VanDerWaalsContact CZ-CE1 3.46Å; R516-E713 IonicContact CZ-OE1 3.55Å; R516-E713 IonicContact CZ-OE2 3.17Å; R516-E713 IonicContact NE-OE1 3.34Å; R516-E713 IonicContact NE-OE2 3.93Å; R516-E713 PolarHBondContact NE-OE2 2.98Å; R516-E713 IonicContact NH2-OE1 3.47Å; R516-E713 PolarHBondContact NH2-OE1 3.34Å; R516-E713 IonicContact NH2-OE2 3.47Å; R516-E713 PolarHBondContact NH2-OE2 3.3Å
517	L	93.3	Very high	89.1	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-39.2	175.4	-176.6	66.2	0	0	0	113.5	I485 R488 K489 L492 I503 Q513 C515 A521	I485-L517 HydrophobicContact CB-CD2 4.06Å; I485-L517 HydrophobicContact CG1-CD2 4.12Å; I485-L517 HydrophobicContact CG2-CD2 3.75Å; R488-L517 HydrophobicContact CB-CD1 3.87Å; R488-L517 HydrophobicContact CB-CD2 4.08Å; R488-L517 HydrophobicContact CB-CG 3.99Å; K489-L517 HydrophobicContact CG-CD1 4.17Å; K489-L517 HydrophobicContact CG-CD2 4.18Å; L492-L517 HydrophobicContact CD1-CD1 3.26Å; I503-L517 HydrophobicContact CD1-CB 4.14Å; I503-L517 HydrophobicContact CD1-CD1 3.72Å; Q513-L517 WeakPolarHBondContact O-CB 3.36Å; Q513-L517 PolarHBondContact O-N 3.05Å; C515-L517 VanDerWaalsContact C-N 3.28Å; C515-L517 PolarHBondContact O-N 2.64Å; L517-A521 VanDerWaalsContact O-CB 3.24Å; L517-A521 WeakPolarHBondContact O-CB 3.21Å; L517-A521 PolarHBondContact O-N 3.38Å
518	E	92.3	Very high	89.3	Confident	51 Å²	51	49.4 Å²	49.4	24%	0.238	25%	0.253	C	S	.	.	H	α-helix	trans	-70	-40.6	174.4	-165.8	-174.1	137.8	0	0	111.8	Q443 P444 A514 C515 R516 A521 R522	Q443-E518 VanDerWaalsContact NE2-CD 3.27Å; Q443-E518 PolarHBondContact NE2-OE1 2.76Å; Q443-E518 PolarHBondContact NE2-OE2 3.01Å; Q443-E518 PolarHBondContact OE1-OE2 2.86Å; P444-E518 HydrophobicContact CG-CG 3.78Å; A514-E518 PolarHBondContact O-N 2.75Å; C515-E518 PolarHBondContact O-N 3.49Å; C515-E518 VanDerWaalsContact O-N 3.13Å; R516-E518 PolarHBondContact O-N 3.33Å; E518-A521 PolarHBondContact O-N 3.44Å; E518-R522 WeakPolarHBondContact O-CB 3.31Å; E518-R522 PolarHBondContact O-N 3.15Å; E518-R522 IonicContact OE1-CZ 2.65Å; E518-R522 IonicContact OE1-NH2 3.18Å; E518-R522 PolarHBondContact OE1-NH2 3.45Å
519	V	93	Very high	89.4	Confident	21 Å²	21	49.2 Å²	49.2	13%	0.127	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-46.1	176.5	175.7	0	0	0	0	110.9	C515 R516 A521 R522 K523 T707 F710	C515-V519 WeakPolarHBondContact O-CG2 3.5Å; C515-V519 PolarHBondContact O-N 3.36Å; R516-V519 PolarHBondContact O-N 2.7Å; V519-A521 PolarHBondContact O-N 2.88Å; V519-R522 WeakPolarHBondContact O-CB 3.02Å; V519-R522 PolarHBondContact O-N 2.95Å; V519-K523 WeakPolarHBondContact O-CG 3.39Å; V519-K523 PolarHBondContact O-N 2.84Å; V519-T707 HydrophobicContact CG2-CG2 4.24Å; V519-F710 HydrophobicContact CB-CB 4.05Å; V519-F710 HydrophobicContact CG1-CB 3.86Å; V519-F710 HydrophobicContact CG2-CB 4.36Å; V519-F710 HydrophobicContact CG2-CD2 4.48Å
520	Y	94.6	Very high	89.4	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-43.2	176.4	-71.7	13.7	0	0	0	111.1	L499 I502 I503 R516 R522 K523 I524 F710 E713 A714	L499-Y520 HydrophobicContact CB-CD2 3.83Å; L499-Y520 HydrophobicContact CB-CE2 4.05Å; L499-Y520 HydrophobicContact CD1-CD2 4.42Å; L499-Y520 HydrophobicContact CD2-CD2 3.9Å; L499-Y520 HydrophobicContact CD2-CE2 3.76Å; L499-Y520 HydrophobicContact CD2-CG 4.4Å; L499-Y520 HydrophobicContact CG-CD2 4.26Å; L499-Y520 HydrophobicContact CG-CE2 4.46Å; I502-Y520 HydrophobicContact CB-CE2 4.48Å; I502-Y520 HydrophobicContact CG2-CE2 4.5Å; I502-Y520 VanDerWaalsContact CG2-OH 3.27Å; I502-Y520 WeakPolarHBondContact CG2-OH 3.2Å; I503-Y520 HydrophobicContact CD1-CD2 3.51Å; I503-Y520 HydrophobicContact CD1-CE2 3.84Å; I503-Y520 HydrophobicContact CD1-CG 4.37Å; I503-Y520 HydrophobicContact CG1-CD2 4.02Å; I503-Y520 HydrophobicContact CG1-CE2 3.79Å; R516-Y520 WeakPolarHBondContact CD-OH 3.08Å; R516-Y520 HydrophobicContact CG-CD1 4.1Å; R516-Y520 HydrophobicContact CG-CE1 3.56Å; R516-Y520 HydrophobicContact CG-CE2 4.03Å; R516-Y520 PolarHBondContact NE-OH 3.14Å; R516-Y520 WeakPolarHBondContact O-CB 3.34Å; R516-Y520 VanDerWaalsContact O-CD1 3.3Å; R516-Y520 WeakPolarHBondContact O-CD1 3.25Å; R516-Y520 PolarHBondContact O-N 2.96Å; Y520-R522 VanDerWaalsContact C-N 3.31Å; Y520-R522 PolarHBondContact O-N 3.46Å; Y520-K523 PolarHBondContact O-N 2.99Å; Y520-I524 VanDerWaalsContact O-CG1 3.32Å; Y520-I524 WeakPolarHBondContact O-CG1 3.32Å; Y520-I524 PolarHBondContact O-N 3.25Å; Y520-F710 HydrophobicContact CE1-CB 4.19Å; Y520-F710 WeakPolarHBondContact CE1-O 3.24Å; Y520-E713 HydrophobicContact CE1-CB 4.12Å; Y520-E713 PolarHBondContact OH-OE2 3.32Å; Y520-A714 HydrophobicContact CD1-CB 3.86Å; Y520-A714 HydrophobicContact CE1-CB 4.24Å
521	A	94.6	Very high	89.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-35.8	175.3	0	0	0	0	0	112.7	P444 I446 R488 L517 E518 V519 E525	P444-A521 HydrophobicContact CB-CB 4.03Å; P444-A521 HydrophobicContact CG-CB 3.85Å; I446-A521 HydrophobicContact CD1-CB 3.76Å; I446-A521 HydrophobicContact CG1-CB 4.32Å; I446-A521 HydrophobicContact CG2-CB 4.3Å; I446-A521 VanDerWaalsContact CG2-O 3.23Å; I446-A521 WeakPolarHBondContact CG2-O 3.39Å; R488-A521 HydrophobicContact CG-CB 4.44Å; L517-A521 VanDerWaalsContact O-CB 3.24Å; L517-A521 WeakPolarHBondContact O-CB 3.21Å; L517-A521 PolarHBondContact O-N 3.38Å; E518-A521 PolarHBondContact O-N 3.44Å; V519-A521 PolarHBondContact O-N 2.88Å; A521-E525 PolarHBondContact O-N 3.06Å
522	R	93.9	Very high	89.5	Confident	97 Å²	97	48.3 Å²	48.3	37%	0.366	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-50.8	173.9	-160.7	75.9	66.4	98.7	-0.3	110.9	P444 E518 V519 Y520 I524 E525 D526	P444-R522 HydrophobicContact CG-CB 4.47Å; E518-R522 WeakPolarHBondContact O-CB 3.31Å; E518-R522 PolarHBondContact O-N 3.15Å; E518-R522 IonicContact OE1-CZ 2.65Å; E518-R522 IonicContact OE1-NH2 3.18Å; E518-R522 PolarHBondContact OE1-NH2 3.45Å; V519-R522 WeakPolarHBondContact O-CB 3.02Å; V519-R522 PolarHBondContact O-N 2.95Å; Y520-R522 VanDerWaalsContact C-N 3.31Å; Y520-R522 PolarHBondContact O-N 3.46Å; R522-I524 VanDerWaalsContact C-N 3.33Å; R522-I524 PolarHBondContact O-N 3.36Å; R522-E525 CarbonylContact O-C 3.56Å; R522-E525 WeakPolarHBondContact O-CA 3.5Å; R522-E525 WeakPolarHBondContact O-CB 3.48Å; R522-E525 PolarHBondContact O-N 2.95Å; R522-D526 VanDerWaalsContact O-CG 3.3Å; R522-D526 PolarHBondContact O-N 3.44Å
523	K	93.1	Very high	89.6	Confident	41 Å²	41	47.9 Å²	47.9	18%	0.178	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-34.8	-179.4	-70.6	-63.1	-159.9	153.9	0	113.5	V519 Y520 D526 F527 A714 D715 L718	V519-K523 WeakPolarHBondContact O-CG 3.39Å; V519-K523 PolarHBondContact O-N 2.84Å; Y520-K523 PolarHBondContact O-N 2.99Å; K523-D526 PolarHBondContact O-N 3.45Å; K523-F527 WeakPolarHBondContact O-CB 3.44Å; K523-F527 PolarHBondContact O-N 2.89Å; K523-A714 HydrophobicContact CB-CB 3.91Å; K523-A714 HydrophobicContact CG-CB 3.87Å; K523-D715 WeakPolarHBondContact CD-OD1 3.39Å; K523-D715 VanDerWaalsContact CE-OD1 3.27Å; K523-D715 WeakPolarHBondContact CE-OD1 3.32Å; K523-D715 IonicContact NZ-OD1 3.79Å; K523-D715 PolarHBondContact NZ-OD1 2.92Å; K523-D715 IonicContact NZ-OD2 3.89Å; K523-D715 PolarHBondContact NZ-OD2 3.34Å; K523-L718 HydrophobicContact CB-CD1 3.78Å
524	I	92.5	Very high	89.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-40.1	171.5	-69.4	167.1	0	0	0	111.1	I446 Y491 L492 Y496 L499 Y520 R522 F527 E528 L718	I446-I524 HydrophobicContact CB-CG2 4.4Å; I446-I524 HydrophobicContact CG2-CB 3.97Å; I446-I524 HydrophobicContact CG2-CG2 3.66Å; Y491-I524 HydrophobicContact CE1-CG2 3.85Å; L492-I524 HydrophobicContact CD2-CD1 3.56Å; L492-I524 HydrophobicContact CG-CD1 4.23Å; Y496-I524 HydrophobicContact CD1-CD1 4.24Å; Y496-I524 HydrophobicContact CD1-CG1 4.29Å; Y496-I524 HydrophobicContact CD2-CD1 3.88Å; Y496-I524 HydrophobicContact CD2-CG1 4.36Å; Y496-I524 HydrophobicContact CD2-CG2 4.4Å; Y496-I524 HydrophobicContact CE1-CG1 4.36Å; Y496-I524 HydrophobicContact CE2-CD1 4.41Å; Y496-I524 HydrophobicContact CE2-CG1 4.44Å; Y496-I524 HydrophobicContact CE2-CG2 3.94Å; Y496-I524 HydrophobicContact CG-CD1 3.83Å; Y496-I524 HydrophobicContact CG-CG1 4.33Å; L499-I524 HydrophobicContact CD1-CD1 4.03Å; L499-I524 HydrophobicContact CD1-CG1 4.35Å; Y520-I524 VanDerWaalsContact O-CG1 3.32Å; Y520-I524 WeakPolarHBondContact O-CG1 3.32Å; Y520-I524 PolarHBondContact O-N 3.25Å; R522-I524 VanDerWaalsContact C-N 3.33Å; R522-I524 PolarHBondContact O-N 3.36Å; I524-F527 PolarHBondContact O-N 3.3Å; I524-E528 HydrophobicContact CG2-CG 4.3Å; I524-E528 WeakPolarHBondContact O-CB 3.39Å; I524-E528 PolarHBondContact O-N 2.88Å; I524-L718 HydrophobicContact CG1-CD2 4.33Å
525	E	92.4	Very high	89.5	Confident	26 Å²	26	49.8 Å²	49.8	12%	0.121	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-39.2	172.5	179.9	172.2	140.4	0	0	112.3	P444 L445 I446 A521 R522 F527 G529 R530	P444-E525 VanDerWaalsContact CA-OE2 3.24Å; P444-E525 WeakPolarHBondContact CA-OE2 3.44Å; L445-E525 PolarHBondContact N-OE2 3.47Å; I446-E525 HydrophobicContact CG2-CB 4.43Å; A521-E525 PolarHBondContact O-N 3.06Å; R522-E525 CarbonylContact O-C 3.56Å; R522-E525 WeakPolarHBondContact O-CA 3.5Å; R522-E525 WeakPolarHBondContact O-CB 3.48Å; R522-E525 PolarHBondContact O-N 2.95Å; E525-F527 VanDerWaalsContact C-N 3.27Å; E525-F527 PolarHBondContact O-N 3.33Å; E525-G529 WeakPolarHBondContact O-CA 3.28Å; E525-G529 PolarHBondContact O-N 3.25Å; E525-R530 VanDerWaalsContact CD-CG 3.42Å; E525-R530 HydrophobicContact CG-CG 3.83Å; E525-R530 WeakPolarHBondContact OE1-CG 3.46Å; E525-R530 IonicContact OE1-CZ 2.86Å; E525-R530 VanDerWaalsContact OE1-CZ 3.29Å; E525-R530 IonicContact OE1-NE 3.25Å; E525-R530 PolarHBondContact OE1-NE 2.97Å; E525-R530 IonicContact OE1-NH2 3.73Å; E525-R530 PolarHBondContact OE1-NH2 3.17Å; E525-R530 IonicContact OE2-NE 3.62Å
526	D	89.7	Confident	89.1	Confident	108 Å²	108	51.7 Å²	51.7	58%	0.578	24%	0.24	S	C	*	.	H	α-helix	trans	-65.8	-30.4	175.3	-63.4	-37.7	0	0	0	112.1	R522 K523	R522-D526 VanDerWaalsContact O-CG 3.3Å; R522-D526 PolarHBondContact O-N 3.44Å; K523-D526 PolarHBondContact O-N 3.45Å
527	F	86.9	Confident	88.2	Confident	90 Å²	90	56.8 Å²	56.8	40%	0.395	26%	0.264	S	S	.	.	H	α-helix	trans	-86.3	-42.1	-177.5	-177.4	-98.8	0	0	0	113.8	K523 I524 E525 L718 K722	K523-F527 WeakPolarHBondContact O-CB 3.44Å; K523-F527 PolarHBondContact O-N 2.89Å; I524-F527 PolarHBondContact O-N 3.3Å; E525-F527 VanDerWaalsContact C-N 3.27Å; E525-F527 PolarHBondContact O-N 3.33Å; F527-L718 HydrophobicContact CB-CD1 4.23Å; F527-L718 HydrophobicContact CB-CD2 4.45Å; F527-L718 HydrophobicContact CD1-CD2 4.01Å; F527-L718 HydrophobicContact CD2-CB 4.18Å; F527-L718 HydrophobicContact CD2-CD2 4.49Å; F527-L718 HydrophobicContact CE1-CD2 4.35Å; F527-L718 HydrophobicContact CE2-CB 4.28Å; F527-L718 HydrophobicContact CG-CD1 4.49Å; F527-L718 HydrophobicContact CG-CD2 4.09Å; F527-K722 HydrophobicContact CE2-CB 4.08Å; F527-K722 HydrophobicContact CE2-CD 4.37Å; F527-K722 HydrophobicContact CE2-CG 4.36Å; F527-K722 HydrophobicContact CZ-CB 3.98Å; F527-K722 HydrophobicContact CZ-CG 4.47Å
528	E	85.6	Confident	86.9	Confident	60 Å²	60	58.2 Å²	58.2	28%	0.28	27%	0.271	S	S	.	.	H	α-helix	trans	-100.5	-19.3	-178	-55.9	-167.8	118.5	0	0	114.2	Y491 Y496 I524 K531	Y491-E528 PolarHBondContact OH-OE2 3.37Å; Y496-E528 VanDerWaalsContact OH-CG 3.3Å; Y496-E528 WeakPolarHBondContact OH-CG 3.38Å; Y496-E528 PolarHBondContact OH-OE1 3.3Å; I524-E528 HydrophobicContact CG2-CG 4.3Å; I524-E528 WeakPolarHBondContact O-CB 3.39Å; I524-E528 PolarHBondContact O-N 2.88Å; E528-K531 WeakPolarHBondContact OE1-CE 3.21Å; E528-K531 IonicContact OE1-NZ 3.47Å; E528-K531 PolarHBondContact OE1-NZ 2.9Å; E528-K531 WeakPolarHBondContact OE2-CE 3.49Å; E528-K531 IonicContact OE2-NZ 3.59Å; E528-K531 PolarHBondContact OE2-NZ 3.14Å
529	G	84.1	Confident	85	Confident	36 Å²	36	58.7 Å²	58.7	37%	0.371	28%	0.28	S	S	.	.			trans	70.3	168	-157.4	0	0	0	0	0	112.8	E525 K531	E525-G529 WeakPolarHBondContact O-CA 3.28Å; E525-G529 PolarHBondContact O-N 3.25Å; G529-K531 PolarHBondContact O-N 2.79Å
530	R	82.8	Confident	83	Confident	63 Å²	63	59.6 Å²	59.6	24%	0.238	29%	0.285	C	S	.	.			trans	-59.8	-1.5	175.2	-66.6	-177.9	-177.1	-158.1	-12.2	115.4	L438 C441 L445 L448 E525	L438-R530 PolarHBondContact O-NH1 2.98Å; C441-R530 PolarHBondContact O-NH1 3.45Å; C441-R530 PolarHBondContact O-NH2 2.97Å; L445-R530 HydrophobicContact CB-CG 4.48Å; L448-R530 VanDerWaalsContact CB-O 3.29Å; L448-R530 WeakPolarHBondContact CB-O 3.47Å; L448-R530 WeakPolarHBondContact CD2-O 3.26Å; E525-R530 VanDerWaalsContact CD-CG 3.42Å; E525-R530 HydrophobicContact CG-CG 3.83Å; E525-R530 WeakPolarHBondContact OE1-CG 3.46Å; E525-R530 IonicContact OE1-CZ 2.86Å; E525-R530 VanDerWaalsContact OE1-CZ 3.29Å; E525-R530 IonicContact OE1-NE 3.25Å; E525-R530 PolarHBondContact OE1-NE 2.97Å; E525-R530 IonicContact OE1-NH2 3.73Å; E525-R530 PolarHBondContact OE1-NH2 3.17Å; E525-R530 IonicContact OE2-NE 3.62Å
531	K	85.6	Confident	80.9	Confident	79 Å²	79	63.5 Å²	63.5	34%	0.343	32%	0.317	S	S	.	.			trans	49.4	-147.4	-168.9	-59.7	179.5	-179.3	176.1	0	110.8	N449 Y491 E528 G529	N449-K531 HydrophobicContact CB-CB 3.99Å; N449-K531 HydrophobicContact CB-CD 4.38Å; N449-K531 VanDerWaalsContact OD1-CD 3.29Å; N449-K531 WeakPolarHBondContact OD1-CD 3.34Å; Y491-K531 PolarHBondContact OH-NZ 3.17Å; E528-K531 WeakPolarHBondContact OE1-CE 3.21Å; E528-K531 IonicContact OE1-NZ 3.47Å; E528-K531 PolarHBondContact OE1-NZ 2.9Å; E528-K531 WeakPolarHBondContact OE2-CE 3.49Å; E528-K531 IonicContact OE2-NZ 3.59Å; E528-K531 PolarHBondContact OE2-NZ 3.14Å; G529-K531 PolarHBondContact O-N 2.79Å
532	R	82	Confident	78.9	Confident	184 Å²	184	65.4 Å²	65.4	69%	0.694	33%	0.327	S	S	*	.			trans	-142.5	138.2	-179.9	-68	-179.5	-178.6	-89.5	0.1	111.1	N449	N449-R532 WeakPolarHBondContact CA-O 3.41Å; N449-R532 WeakPolarHBondContact CB-O 3.31Å
533	L	88.7	Confident	76.7	Confident	20 Å²	20	67.3 Å²	67.3	11%	0.105	34%	0.339	C	S	.	.			trans	-64.4	141.4	170.4	-177.8	149.3	0	0	0	110.8	A432 I434 L438 L448 M451 E453 I535	A432-L533 HydrophobicContact CB-CD2 3.98Å; I434-L533 HydrophobicContact CG2-CD1 3.9Å; L438-L533 HydrophobicContact CD1-CD1 4.38Å; L448-L533 HydrophobicContact CD1-CB 4.04Å; L448-L533 HydrophobicContact CD1-CD1 4.17Å; L448-L533 HydrophobicContact CG-CB 4.06Å; M451-L533 HydrophobicContact CB-CD1 3.97Å; M451-L533 HydrophobicContact CB-CG 4.13Å; M451-L533 HydrophobicContact CG-CD1 3.6Å; M451-L533 HydrophobicContact CG-CG 4.21Å; E453-L533 HydrophobicContact CB-CD2 3.57Å; L533-I535 HydrophobicContact CD2-CG1 3.81Å
534	I	86.9	Confident	75	Confident	70 Å²	70	71.2 Å²	71.2	36%	0.359	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.8	177.1	-59.8	176.8	0	0	0	109.2	N449 M451 I452 E453	N449-I534 VanDerWaalsContact O-CD1 3.25Å; N449-I534 WeakPolarHBondContact O-CD1 3.3Å; M451-I534 PolarHBondContact O-N 3.04Å; I452-I534 CarbonylContact C-O 3.58Å; I452-I534 VanDerWaalsContact CA-O 3.27Å; I452-I534 WeakPolarHBondContact CA-O 3.45Å; I452-I534 HydrophobicContact CG1-CB 4.28Å; I452-I534 HydrophobicContact CG2-CB 4.46Å; I452-I534 HydrophobicContact CG2-CG2 4.25Å; E453-I534 PolarHBondContact N-O 2.64Å
535	I	86.1	Confident	73.3	Confident	53 Å²	53	72 Å²	72	27%	0.272	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.9	177.4	-53.1	166.1	0	0	0	109.2	V430 A432 E453 Q455 L533	V430-I535 HydrophobicContact CB-CD1 4.41Å; V430-I535 HydrophobicContact CG1-CD1 4.32Å; V430-I535 HydrophobicContact CG1-CG2 3.76Å; V430-I535 WeakPolarHBondContact O-CD1 3.18Å; A432-I535 HydrophobicContact CB-CD1 4.01Å; A432-I535 HydrophobicContact CB-CG1 4.34Å; E453-I535 WeakPolarHBondContact O-CA 3.48Å; Q455-I535 HydrophobicContact CG-CG2 4.08Å; L533-I535 HydrophobicContact CD2-CG1 3.81Å
536	K	81.5	Confident	71.3	Confident	80 Å²	80	72.1 Å²	72.1	35%	0.348	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.4	173.1	-66.7	-178.7	-175.7	177.9	0	109.5	I452 E453 Y454 Q455	I452-K536 HydrophobicContact CG2-CD 3.83Å; I452-K536 HydrophobicContact CG2-CG 4Å; E453-K536 PolarHBondContact O-N 3.14Å; Y454-K536 WeakPolarHBondContact CA-O 3.37Å; Y454-K536 HydrophobicContact CD1-CB 4.07Å; Y454-K536 HydrophobicContact CD1-CD 4.29Å; Y454-K536 HydrophobicContact CE1-CB 4.16Å; Y454-K536 HydrophobicContact CE1-CD 3.53Å; Y454-K536 HydrophobicContact CE1-CG 4.47Å; Y454-K536 PolarHBondContact OH-NZ 3.23Å; Q455-K536 PolarHBondContact N-O 2.93Å
537	E	73.1	Confident	69.9	Low	110 Å²	110	70.6 Å²	70.6	51%	0.514	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.6	172.8	-60.3	-178	128.6	0	0	110	V430 Q455	V430-E537 HydrophobicContact CG1-CG 4.19Å; V430-E537 WeakPolarHBondContact CG2-OE1 3.33Å; Q455-E537 WeakPolarHBondContact O-CA 3.29Å
538	H	65.3	Low	68.6	Low	33 Å²	33	67.8 Å²	67.8	15%	0.153	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.8	168	-78.5	-96.5	0	0	0	111.1	Q455 Q457 D542 L545	Q455-H538 PolarHBondContact O-N 3.31Å; Q457-H538 PolarHBondContact N-O 2.87Å; H538-D542 IonicContact CE1-OD2 3.91Å; H538-D542 IonicContact ND1-OD2 2.65Å; H538-D542 PolarHBondContact ND1-OD2 3.25Å; H538-L545 HydrophobicContact CB-CD2 4.44Å; H538-L545 WeakPolarHBondContact ND1-CD2 3.49Å
539	S	51.9	Low	67.3	Low	62 Å²	62	65.3 Å²	65.3	43%	0.434	34%	0.34	S	S	.	.			trans	-116.1	160	-177.6	-162.1	0	0	0	0	111.5	Q457 A541 D542	Q457-S539 VanDerWaalsContact OE1-CB 3.23Å; Q457-S539 PolarHBondContact OE1-OG 3.3Å; S539-A541 PolarHBondContact O-N 3.33Å; S539-D542 PolarHBondContact O-N 2.81Å
540	V	51.4	Low	66.2	Low	40 Å²	40	66.3 Å²	66.3	24%	0.242	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.1	-165.9	-158.3	0	0	0	0	114.1	E458 D542 F543	E458-V540 HydrophobicContact CG-CG2 3.65Å; E458-V540 WeakPolarHBondContact OE1-CG2 3.36Å; E458-V540 WeakPolarHBondContact OE2-CG1 3.25Å; V540-D542 PolarHBondContact O-N 2.95Å; V540-F543 HydrophobicContact CG1-CE2 4.21Å; V540-F543 HydrophobicContact CG1-CZ 4.07Å; V540-F543 WeakPolarHBondContact O-CD2 3.09Å; V540-F543 WeakPolarHBondContact O-CE2 3.2Å; V540-F543 PolarHBondContact O-N 2.91Å
541	A	50.1	Low	65.4	Low	81 Å²	81	68 Å²	68	67%	0.669	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-10.4	171.2	0	0	0	0	0	114.1	S539 K629	S539-A541 PolarHBondContact O-N 3.33Å; A541-K629 PolarHBondContact O-NZ 3.06Å
542	D	53.8	Low	64.2	Low	40 Å²	40	65.6 Å²	65.6	21%	0.214	33%	0.334	C	S	.	.			trans	-95.3	47.3	170.1	-69.6	-21.3	0	0	0	113	H538 S539 V540 D544 L545 Q546 K629	H538-D542 IonicContact CE1-OD2 3.91Å; H538-D542 IonicContact ND1-OD2 2.65Å; H538-D542 PolarHBondContact ND1-OD2 3.25Å; S539-D542 PolarHBondContact O-N 2.81Å; V540-D542 PolarHBondContact O-N 2.95Å; D542-D544 VanDerWaalsContact C-N 3.26Å; D542-D544 PolarHBondContact O-N 3Å; D542-D544 VanDerWaalsContact O-N 3.11Å; D542-L545 HydrophobicContact CB-CB 3.84Å; D542-L545 HydrophobicContact CB-CD2 4.4Å; D542-L545 WeakPolarHBondContact O-CA 3.42Å; D542-L545 VanDerWaalsContact O-CB 3.27Å; D542-L545 WeakPolarHBondContact O-CB 3.21Å; D542-L545 PolarHBondContact O-N 3.18Å; D542-Q546 PolarHBondContact O-N 3.3Å; D542-Q546 VanDerWaalsContact O-N 3.11Å; D542-K629 WeakPolarHBondContact OD1-CD 3.27Å; D542-K629 IonicContact OD1-NZ 3.11Å; D542-K629 PolarHBondContact OD1-NZ 2.81Å
543	F	47.3	Very low	63.2	Low	138 Å²	138	58 Å²	58	61%	0.605	31%	0.307	S	S	*	.	H	α-helix	trans	-45.6	-40.5	179.3	-89.5	-83.7	0	0	0	115.2	V540 L545 S547	V540-F543 HydrophobicContact CG1-CE2 4.21Å; V540-F543 HydrophobicContact CG1-CZ 4.07Å; V540-F543 WeakPolarHBondContact O-CD2 3.09Å; V540-F543 WeakPolarHBondContact O-CE2 3.2Å; V540-F543 PolarHBondContact O-N 2.91Å; F543-L545 VanDerWaalsContact C-N 3.33Å; F543-L545 PolarHBondContact O-N 3.39Å; F543-S547 PolarHBondContact O-N 3.45Å; F543-S547 PolarHBondContact O-OG 3.29Å
544	D	58.2	Low	61.9	Low	123 Å²	123	62.2 Å²	62.2	66%	0.658	33%	0.326	S	S	*	.	H	α-helix	trans	-63.8	-38.1	176.4	-60.1	-43.3	0	0	0	112.2	D542 E548	D542-D544 VanDerWaalsContact C-N 3.26Å; D542-D544 PolarHBondContact O-N 3Å; D542-D544 VanDerWaalsContact O-N 3.11Å; D544-E548 PolarHBondContact O-N 2.94Å
545	L	55.5	Low	60.8	Low	15 Å²	15	62 Å²	62	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-72.3	-43.1	-177.3	-154.1	83.2	0	0	0	110.7	H538 D542 F543 S547 E548 I549 I622 I626	H538-L545 HydrophobicContact CB-CD2 4.44Å; H538-L545 WeakPolarHBondContact ND1-CD2 3.49Å; D542-L545 HydrophobicContact CB-CB 3.84Å; D542-L545 HydrophobicContact CB-CD2 4.4Å; D542-L545 WeakPolarHBondContact O-CA 3.42Å; D542-L545 VanDerWaalsContact O-CB 3.27Å; D542-L545 WeakPolarHBondContact O-CB 3.21Å; D542-L545 PolarHBondContact O-N 3.18Å; F543-L545 VanDerWaalsContact C-N 3.33Å; F543-L545 PolarHBondContact O-N 3.39Å; L545-S547 VanDerWaalsContact C-N 3.31Å; L545-S547 PolarHBondContact O-N 3.37Å; L545-E548 PolarHBondContact O-N 3.03Å; L545-I549 HydrophobicContact CD2-CD1 4.22Å; L545-I549 HydrophobicContact CG-CD1 4.04Å; L545-I549 VanDerWaalsContact O-CB 3.24Å; L545-I549 WeakPolarHBondContact O-CB 3.26Å; L545-I549 WeakPolarHBondContact O-CG1 3.27Å; L545-I549 PolarHBondContact O-N 3.12Å; L545-I622 HydrophobicContact CD1-CG2 3.97Å; L545-I626 HydrophobicContact CD1-CD1 4.15Å; L545-I626 HydrophobicContact CD1-CG1 3.94Å
546	Q	51.6	Low	59.3	Low	29 Å²	29	63.8 Å²	63.8	14%	0.136	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-43.7	174.9	-175.5	174.2	18.8	0	0	111.2	L456 E458 D542 I549 I550	L456-Q546 HydrophobicContact CD2-CB 4.05Å; L456-Q546 HydrophobicContact CD2-CG 3.95Å; E458-Q546 PolarHBondContact OE2-NE2 3.27Å; D542-Q546 PolarHBondContact O-N 3.3Å; D542-Q546 VanDerWaalsContact O-N 3.11Å; Q546-I549 PolarHBondContact O-N 3.39Å; Q546-I550 HydrophobicContact CG-CD1 3.95Å; Q546-I550 WeakPolarHBondContact O-CB 3.04Å; Q546-I550 WeakPolarHBondContact O-CD1 3.29Å; Q546-I550 VanDerWaalsContact O-CG1 3.24Å; Q546-I550 WeakPolarHBondContact O-CG1 3.47Å; Q546-I550 PolarHBondContact O-N 3.2Å
547	S	59.5	Low	58	Low	76 Å²	76	63.7 Å²	63.7	53%	0.531	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-47.4	179.3	-56.4	0	0	0	0	112.5	F543 L545 R551	F543-S547 PolarHBondContact O-N 3.45Å; F543-S547 PolarHBondContact O-OG 3.29Å; L545-S547 VanDerWaalsContact C-N 3.31Å; L545-S547 PolarHBondContact O-N 3.37Å; S547-R551 PolarHBondContact O-N 3.01Å; S547-R551 VanDerWaalsContact O-N 3.09Å
548	E	59.4	Low	57.2	Low	32 Å²	32	64.4 Å²	64.4	15%	0.15	34%	0.337	C	S	.	.	H	α-helix	trans	-70.4	-35.3	178.8	-175	66.5	175.2	0	0	112.3	D544 L545 R551 L552 R618 I622	D544-E548 PolarHBondContact O-N 2.94Å; L545-E548 PolarHBondContact O-N 3.03Å; E548-R551 PolarHBondContact O-N 3.46Å; E548-R551 IonicContact OE1-CZ 3.99Å; E548-R551 IonicContact OE1-NE 2.71Å; E548-R551 IonicContact OE1-NH2 3.36Å; E548-R551 PolarHBondContact OE1-NH2 2.94Å; E548-R551 IonicContact OE2-CZ 3.42Å; E548-R551 IonicContact OE2-NE 2.77Å; E548-R551 PolarHBondContact OE2-NE 3.03Å; E548-R551 IonicContact OE2-NH2 2.64Å; E548-R551 PolarHBondContact OE2-NH2 3Å; E548-L552 HydrophobicContact CG-CD1 4.4Å; E548-L552 WeakPolarHBondContact O-CG 3.49Å; E548-L552 PolarHBondContact O-N 2.98Å; E548-R618 VanDerWaalsContact OE1-CD 3.31Å; E548-R618 WeakPolarHBondContact OE1-CD 3.45Å; E548-I622 HydrophobicContact CG-CD1 3.92Å; E548-I622 HydrophobicContact CG-CG1 3.96Å
549	I	58.5	Low	56.8	Low	7 Å²	7	65.2 Å²	65.2	4%	0.036	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-45.7	174.9	-77.9	173.9	0	0	0	111.2	L456 L463 L545 Q546 R551 L552 I553	L456-I549 HydrophobicContact CD1-CD1 4.02Å; L456-I549 HydrophobicContact CD1-CG2 4Å; L456-I549 HydrophobicContact CD2-CG2 4.44Å; L463-I549 HydrophobicContact CD1-CB 4.26Å; L463-I549 HydrophobicContact CD1-CG1 4.08Å; L463-I549 HydrophobicContact CD1-CG2 3.74Å; L463-I549 HydrophobicContact CG-CG2 4.36Å; L545-I549 HydrophobicContact CD2-CD1 4.22Å; L545-I549 HydrophobicContact CG-CD1 4.04Å; L545-I549 VanDerWaalsContact O-CB 3.24Å; L545-I549 WeakPolarHBondContact O-CB 3.26Å; L545-I549 WeakPolarHBondContact O-CG1 3.27Å; L545-I549 PolarHBondContact O-N 3.12Å; Q546-I549 PolarHBondContact O-N 3.39Å; I549-R551 VanDerWaalsContact C-N 3.32Å; I549-R551 PolarHBondContact O-N 3.38Å; I549-L552 PolarHBondContact O-N 2.88Å; I549-I553 HydrophobicContact CG2-CD1 4.01Å; I549-I553 VanDerWaalsContact O-CG1 3.32Å; I549-I553 WeakPolarHBondContact O-CG1 3.46Å; I549-I553 PolarHBondContact O-N 3.5Å
550	I	60.6	Low	56.8	Low	58 Å²	58	68.6 Å²	68.6	30%	0.297	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-42.8	175.3	-70.8	165.5	0	0	0	110.5	L459 Q546 I553 Q554	L459-I550 HydrophobicContact CD1-CD1 4.25Å; L459-I550 HydrophobicContact CD1-CG1 4.04Å; Q546-I550 HydrophobicContact CG-CD1 3.95Å; Q546-I550 WeakPolarHBondContact O-CB 3.04Å; Q546-I550 WeakPolarHBondContact O-CD1 3.29Å; Q546-I550 VanDerWaalsContact O-CG1 3.24Å; Q546-I550 WeakPolarHBondContact O-CG1 3.47Å; Q546-I550 PolarHBondContact O-N 3.2Å; I550-I553 PolarHBondContact O-N 2.79Å; I550-Q554 HydrophobicContact CG2-CG 4.49Å; I550-Q554 WeakPolarHBondContact O-CG 3.41Å; I550-Q554 PolarHBondContact O-N 3.17Å
551	R	67.2	Low	56.6	Low	99 Å²	99	71.6 Å²	71.6	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-44.7	177.4	-173.2	169.9	73.1	114.1	-15.9	112.6	S547 E548 I549 I553 Q554 E555	S547-R551 PolarHBondContact O-N 3.01Å; S547-R551 VanDerWaalsContact O-N 3.09Å; E548-R551 PolarHBondContact O-N 3.46Å; E548-R551 IonicContact OE1-CZ 3.99Å; E548-R551 IonicContact OE1-NE 2.71Å; E548-R551 IonicContact OE1-NH2 3.36Å; E548-R551 PolarHBondContact OE1-NH2 2.94Å; E548-R551 IonicContact OE2-CZ 3.42Å; E548-R551 IonicContact OE2-NE 2.77Å; E548-R551 PolarHBondContact OE2-NE 3.03Å; E548-R551 IonicContact OE2-NH2 2.64Å; E548-R551 PolarHBondContact OE2-NH2 3Å; I549-R551 VanDerWaalsContact C-N 3.32Å; I549-R551 PolarHBondContact O-N 3.38Å; R551-I553 VanDerWaalsContact C-N 3.33Å; R551-I553 PolarHBondContact O-N 2.68Å; R551-Q554 PolarHBondContact O-N 2.99Å; R551-E555 HydrophobicContact CG-CG 4.43Å; R551-E555 WeakPolarHBondContact CG-OE1 3.32Å; R551-E555 IonicContact CZ-OE1 2.72Å; R551-E555 IonicContact NE-OE1 2.99Å; R551-E555 IonicContact NH1-OE1 2.74Å; R551-E555 PolarHBondContact NH1-OE1 3.3Å; R551-E555 PolarHBondContact O-N 2.56Å
552	L	60.4	Low	56.9	Low	27 Å²	27	73.1 Å²	73.1	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-35.8	177.1	-72.8	171.3	0	0	0	112.7	E548 I549 H556 I622	E548-L552 HydrophobicContact CG-CD1 4.4Å; E548-L552 WeakPolarHBondContact O-CG 3.49Å; E548-L552 PolarHBondContact O-N 2.98Å; I549-L552 PolarHBondContact O-N 2.88Å; L552-H556 WeakPolarHBondContact O-CB 3.42Å; L552-H556 PolarHBondContact O-N 3.03Å; L552-H556 VanDerWaalsContact O-N 3.14Å; L552-I622 HydrophobicContact CD1-CD1 3.75Å
553	I	60	Low	57	Low	25 Å²	25	79 Å²	79	13%	0.128	39%	0.387	C	S	.	.	H	α-helix	trans	-64.8	-43.7	172.9	-68.2	164.8	0	0	0	110.7	L463 I549 I550 R551 N557	L463-I553 HydrophobicContact CD1-CG1 4.37Å; L463-I553 HydrophobicContact CD2-CD1 4.27Å; L463-I553 HydrophobicContact CD2-CG1 3.74Å; L463-I553 HydrophobicContact CG-CD1 4.27Å; L463-I553 HydrophobicContact CG-CG1 4.2Å; I549-I553 HydrophobicContact CG2-CD1 4.01Å; I549-I553 VanDerWaalsContact O-CG1 3.32Å; I549-I553 WeakPolarHBondContact O-CG1 3.46Å; I549-I553 PolarHBondContact O-N 3.5Å; I550-I553 PolarHBondContact O-N 2.79Å; R551-I553 VanDerWaalsContact C-N 3.33Å; R551-I553 PolarHBondContact O-N 2.68Å; I553-N557 PolarHBondContact O-N 2.97Å; I553-N557 VanDerWaalsContact O-N 3.16Å; I553-N557 PolarHBondContact O-ND2 2.74Å; I553-N557 VanDerWaalsContact O-ND2 3.09Å
554	Q	62.1	Low	57.1	Low	108 Å²	108	76 Å²	76	51%	0.505	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-52.6	178.4	-72.4	171.5	-8.7	0	0	111.9	I550 R551 H556 N557 E558	I550-Q554 HydrophobicContact CG2-CG 4.49Å; I550-Q554 WeakPolarHBondContact O-CG 3.41Å; I550-Q554 PolarHBondContact O-N 3.17Å; R551-Q554 PolarHBondContact O-N 2.99Å; Q554-H556 VanDerWaalsContact C-N 3.3Å; Q554-H556 PolarHBondContact O-N 3.43Å; Q554-N557 PolarHBondContact O-N 2.73Å; Q554-E558 PolarHBondContact O-N 2.85Å
555	E	62.5	Low	56.7	Low	65 Å²	65	77.5 Å²	77.5	30%	0.304	38%	0.376	S	S	.	.	H	α-helix	trans	-57.5	-40.1	178.6	-73.2	-176.6	-145.5	0	0	112.1	R551 N557 E558 A559 R618	R551-E555 HydrophobicContact CG-CG 4.43Å; R551-E555 WeakPolarHBondContact CG-OE1 3.32Å; R551-E555 IonicContact CZ-OE1 2.72Å; R551-E555 IonicContact NE-OE1 2.99Å; R551-E555 IonicContact NH1-OE1 2.74Å; R551-E555 PolarHBondContact NH1-OE1 3.3Å; R551-E555 PolarHBondContact O-N 2.56Å; E555-N557 PolarHBondContact O-N 2.97Å; E555-E558 PolarHBondContact O-N 3Å; E555-A559 WeakPolarHBondContact O-CB 3.45Å; E555-A559 PolarHBondContact O-N 2.83Å; E555-R618 IonicContact OE1-NH1 2.7Å; E555-R618 PolarHBondContact OE1-NH1 2.88Å; E555-R618 IonicContact OE2-CZ 3.66Å; E555-R618 IonicContact OE2-NH1 2.7Å; E555-R618 PolarHBondContact OE2-NH1 3.31Å; E555-R618 IonicContact OE2-NH2 3.29Å; E555-R618 PolarHBondContact OE2-NH2 2.95Å
556	H	56.3	Low	56.1	Low	92 Å²	92	81.6 Å²	81.6	43%	0.426	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-36.9	175.9	-178.5	-74.3	0	0	0	112.5	L552 Q554 R560	L552-H556 WeakPolarHBondContact O-CB 3.42Å; L552-H556 PolarHBondContact O-N 3.03Å; L552-H556 VanDerWaalsContact O-N 3.14Å; Q554-H556 VanDerWaalsContact C-N 3.3Å; Q554-H556 PolarHBondContact O-N 3.43Å; H556-R560 WeakPolarHBondContact O-CB 3.46Å; H556-R560 PolarHBondContact O-N 2.87Å
557	N	53.6	Low	55.8	Low	78 Å²	78	90.6 Å²	90.6	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-71.3	-35.6	175.8	-73.7	-34.8	0	0	0	112.3	I553 Q554 E555 R560 L561	I553-N557 PolarHBondContact O-N 2.97Å; I553-N557 VanDerWaalsContact O-N 3.16Å; I553-N557 PolarHBondContact O-ND2 2.74Å; I553-N557 VanDerWaalsContact O-ND2 3.09Å; Q554-N557 PolarHBondContact O-N 2.73Å; E555-N557 PolarHBondContact O-N 2.97Å; N557-R560 WeakPolarHBondContact O-CB 3.28Å; N557-R560 PolarHBondContact O-N 3.42Å; N557-L561 WeakPolarHBondContact O-CG 3.48Å; N557-L561 PolarHBondContact O-N 2.94Å
558	E	56.6	Low	54.7	Low	124 Å²	124	95 Å²	95	58%	0.579	45%	0.446	S	S	*	.	H	α-helix	trans	-69.9	-44.8	175.2	-70.1	-176.6	176.6	0	0	112.5	Q554 E555 R560 L561 L562	Q554-E558 PolarHBondContact O-N 2.85Å; E555-E558 PolarHBondContact O-N 3Å; E558-R560 PolarHBondContact O-N 3.3Å; E558-L561 PolarHBondContact O-N 2.87Å; E558-L562 PolarHBondContact O-N 2.99Å
559	A	55.9	Low	53.5	Low	51 Å²	51	97.8 Å²	97.8	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-58	-34.5	173.8	0	0	0	0	0	112.1	E555 K563	E555-A559 WeakPolarHBondContact O-CB 3.45Å; E555-A559 PolarHBondContact O-N 2.83Å; A559-K563 PolarHBondContact O-N 2.85Å
560	R	51.6	Low	52.2	Low	133 Å²	133	102.8 Å²	102.8	50%	0.502	50%	0.503	S	S	.	.	H	α-helix	trans	-68	-46.1	172.1	-178.9	-178.4	171.9	132.3	12.3	112.3	H556 N557 E558 L562 K563 E564	H556-R560 WeakPolarHBondContact O-CB 3.46Å; H556-R560 PolarHBondContact O-N 2.87Å; N557-R560 WeakPolarHBondContact O-CB 3.28Å; N557-R560 PolarHBondContact O-N 3.42Å; E558-R560 PolarHBondContact O-N 3.3Å; R560-L562 VanDerWaalsContact C-N 3.26Å; R560-L562 PolarHBondContact O-N 2.87Å; R560-K563 PolarHBondContact O-N 3.13Å; R560-E564 HydrophobicContact CG-CG 4.48Å; R560-E564 IonicContact CZ-OE1 2.73Å; R560-E564 IonicContact NE-OE1 2.97Å; R560-E564 PolarHBondContact NE-OE1 3.04Å; R560-E564 IonicContact NH2-OE1 3.85Å; R560-E564 PolarHBondContact NH2-OE1 2.84Å; R560-E564 PolarHBondContact O-N 2.96Å
561	L	48.8	Very low	50.9	Low	103 Å²	103	105.8 Å²	105.8	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-62	-32.3	177.6	-77.4	166	0	0	0	112.8	N557 E558 K565	N557-L561 WeakPolarHBondContact O-CG 3.48Å; N557-L561 PolarHBondContact O-N 2.94Å; E558-L561 PolarHBondContact O-N 2.87Å; L561-K565 WeakPolarHBondContact O-CG 3.25Å; L561-K565 PolarHBondContact O-N 2.72Å; L561-K565 VanDerWaalsContact O-N 3.13Å
562	L	56.4	Low	49.4	Very low	113 Å²	113	112.7 Å²	112.7	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-66.9	-49.9	172.1	-73.3	164.2	0	0	0	111.5	E558 R560 E564 K565 C566	E558-L562 PolarHBondContact O-N 2.99Å; R560-L562 VanDerWaalsContact C-N 3.26Å; R560-L562 PolarHBondContact O-N 2.87Å; L562-E564 VanDerWaalsContact C-N 3.33Å; L562-E564 PolarHBondContact O-N 3.31Å; L562-K565 PolarHBondContact O-N 2.82Å; L562-K565 VanDerWaalsContact O-N 3.12Å; L562-C566 PolarHBondContact O-N 2.95Å
563	K	55	Low	48	Very low	163 Å²	163	117.6 Å²	117.6	71%	0.709	58%	0.583	S	S	*	*	H	α-helix	trans	-62.5	-35.9	176.8	-71.5	-175.3	177.6	-175.3	0	113	A559 R560	A559-K563 PolarHBondContact O-N 2.85Å; R560-K563 PolarHBondContact O-N 3.13Å
564	E	49.6	Very low	46.8	Very low	75 Å²	75	122.6 Å²	122.6	35%	0.35	62%	0.619	S	S	.	*	H	α-helix	trans	-73.5	-20.8	175.1	-73.7	-174.8	-165.5	0	0	113.9	R560 L562	R560-E564 HydrophobicContact CG-CG 4.48Å; R560-E564 IonicContact CZ-OE1 2.73Å; R560-E564 IonicContact NE-OE1 2.97Å; R560-E564 PolarHBondContact NE-OE1 3.04Å; R560-E564 IonicContact NH2-OE1 3.85Å; R560-E564 PolarHBondContact NH2-OE1 2.84Å; R560-E564 PolarHBondContact O-N 2.96Å; L562-E564 VanDerWaalsContact C-N 3.33Å; L562-E564 PolarHBondContact O-N 3.31Å
565	K	50	Low	45.2	Very low	155 Å²	155	125.3 Å²	125.3	67%	0.674	63%	0.632	S	S	*	*	H	α-helix	trans	-76.4	-44.3	171.1	-83.4	176.5	177.1	176.6	0	112.2	L561 L562 R567 K568	L561-K565 WeakPolarHBondContact O-CG 3.25Å; L561-K565 PolarHBondContact O-N 2.72Å; L561-K565 VanDerWaalsContact O-N 3.13Å; L562-K565 PolarHBondContact O-N 2.82Å; L562-K565 VanDerWaalsContact O-N 3.12Å; K565-R567 PolarHBondContact O-N 2.78Å; K565-K568 PolarHBondContact O-N 2.95Å
566	C	42.3	Very low	44.2	Very low	100 Å²	100	130.7 Å²	130.7	68%	0.676	66%	0.656	S	S	*	*	H	α-helix	trans	-61	-31.4	180	-67.1	0	0	0	0	113.2	L562 K568	L562-C566 PolarHBondContact O-N 2.95Å; C566-K568 VanDerWaalsContact C-N 3.25Å; C566-K568 PolarHBondContact O-N 3.08Å
567	R	45.1	Very low	43.3	Very low	219 Å²	219	131.4 Å²	131.4	83%	0.826	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	8.7	178.3	-71.8	-171.9	168.5	-151.8	-7.8	115.3	K565	K565-R567 PolarHBondContact O-N 2.78Å
568	K	37	Very low	42.3	Very low	167 Å²	167	132.3 Å²	132.3	73%	0.726	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	12.7	-178.9	-69.1	-179.5	-179.3	176.5	0	114.7	K565 C566	K565-K568 PolarHBondContact O-N 2.95Å; C566-K568 VanDerWaalsContact C-N 3.25Å; C566-K568 PolarHBondContact O-N 3.08Å
569	S	34.2	Very low	41.4	Very low	92 Å²	92	132.1 Å²	132.1	64%	0.643	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-81	129.6	172.8	-55.9	0	0	0	0	110.8
570	P	30.6	Very low	40.3	Very low	112 Å²	112	136.7 Å²	136.7	73%	0.727	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-67.2	143.9	172.6	-18	31.2	0	0	0	111.5
571	P	34	Very low	39.7	Very low	121 Å²	121	137.2 Å²	137.2	79%	0.786	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-66.1	134.8	171.6	28.8	-33.8	0	0	0	110	T573	P571-T573 PolarHBondContact O-N 3.33Å
572	R	36.4	Very low	38.9	Very low	243 Å²	243	138 Å²	138	92%	0.917	75%	0.75	S	S	*	*			trans	-82.7	112.3	173	-72.9	-175.1	175.6	-173.1	-1.2	109.5	C574	R572-C574 PolarHBondContact O-N 3.48Å
573	T	29.5	Very low	38	Very low	131 Å²	131	139.7 Å²	139.7	80%	0.804	76%	0.764	S	S	*	*			trans	-70.4	122.3	169.2	48.1	0	0	0	0	110.3	P571	P571-T573 PolarHBondContact O-N 3.33Å
574	C	35.2	Very low	37.1	Very low	129 Å²	129	137.6 Å²	137.6	87%	0.872	77%	0.77	S	S	*	*			trans	-105.1	119.1	159.6	-82.1	0	0	0	0	108.6	R572	R572-C574 PolarHBondContact O-N 3.48Å
575	E	29.4	Very low	36.5	Very low	166 Å²	166	137.6 Å²	137.6	78%	0.776	79%	0.79	S	S	*	*			trans	-71.1	155.5	172.2	-56.6	169.9	170.2	0	0	110.2
576	H	40.4	Very low	36	Very low	177 Å²	177	137.7 Å²	137.7	82%	0.819	80%	0.798	S	S	*	*				-175.8	131.7	126.7	-89.5	-39.7	0	0	0	113.7
577	S	37.5	Very low	35.6	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	81%	0.807	S	S	*	*			trans	72.9	69.5	142.2	-54.4	0	0	0	0	121.3
578	A	32.8	Very low	35.3	Very low	97 Å²	97	139.3 Å²	139.3	80%	0.802	81%	0.809	S	S	*	*				33	131.7	121	0	0	0	0	0	122.2
579	S	37.7	Very low	35.2	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	82%	0.817	S	S	*	*				-162.8	163.6	107	50.2	0	0	0	0	111.5
580	N	33.4	Very low	35.2	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	82%	0.823	S	S	*	*			trans	-111.6	148.2	-163.2	-49.4	-57.9	0	0	0	113.7
581	T	37.8	Very low	35.3	Very low	143 Å²	143	141.1 Å²	141.1	88%	0.877	82%	0.82	S	S	*	*				-166.6	131.3	130	4.4	0	0	0	0	111.8
582	P	32.6	Very low	35.5	Very low	121 Å²	121	143.8 Å²	143.8	79%	0.786	83%	0.826	S	S	*	*			trans	-105.9	142.4	174.8	36.9	-29.9	0	0	0	112.9
583	V	38.2	Very low	35.5	Very low	147 Å²	147	138.6 Å²	138.6	89%	0.891	81%	0.806	S	S	*	*			trans	-138.7	141.5	163.6	179.3	0	0	0	0	109.3
584	S	34.9	Very low	36.1	Very low	120 Å²	120	137.7 Å²	137.7	84%	0.839	79%	0.793	S	S	*	*			trans	-86.3	146.8	-177.5	50.3	0	0	0	0	113.8
585	G	37.9	Very low	36.3	Very low	74 Å²	74	139.2 Å²	139.2	76%	0.763	79%	0.793	S	S	*	*			trans	-165.4	131.4	162.5	0	0	0	0	0	110.4
586	D	38.3	Very low	37	Very low	158 Å²	158	136.5 Å²	136.5	85%	0.845	79%	0.792	S	S	*	*			trans	-79.8	168.2	179.1	-61.3	-78.3	0	0	0	112.9
587	L	35.7	Very low	36.9	Very low	164 Å²	164	132.9 Å²	132.9	86%	0.859	79%	0.787	S	S	*	*			trans	106.8	137.5	158.8	-59.3	169.4	0	0	0	119.3
588	E	37.4	Very low	36.8	Very low	188 Å²	188	135.3 Å²	135.3	88%	0.879	79%	0.791	S	S	*	*			trans	82.5	164.7	148.5	-139.9	152.5	-165.7	0	0	120.2
589	E	36	Very low	37.1	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	79%	0.792	S	S	*	*			trans	-85.5	145.4	-155.3	-53.9	-177.9	141.9	0	0	113.2
590	G	32.8	Very low	36.9	Very low	74 Å²	74	141.2 Å²	141.2	76%	0.763	79%	0.789	S	S	*	*			trans	-145.9	139.1	-178.4	0	0	0	0	0	114.6
591	E	32.7	Very low	37.1	Very low	142 Å²	142	140 Å²	140	66%	0.664	79%	0.789	S	S	*	*			trans	-60.4	139.2	174	-70.6	-173.9	104.3	0	0	111.9	R593 K699	E591-R593 HydrophobicContact CB-CG 3.88Å; E591-R593 PolarHBondContact O-N 3.34Å; E591-R593 WeakPolarHBondContact OE2-CD 3.49Å; E591-K699 IonicContact OE1-NZ 3.73Å; E591-K699 PolarHBondContact OE1-NZ 2.87Å; E591-K699 IonicContact OE2-NZ 2.72Å; E591-K699 PolarHBondContact OE2-NZ 3.31Å
592	I	39.9	Very low	36.7	Very low	177 Å²	177	140.6 Å²	140.6	91%	0.908	79%	0.786	S	S	*	*			trans	-88.1	96	157	-51	178.2	0	0	0	107.9
593	R	36.3	Very low	36.6	Very low	134 Å²	134	140.4 Å²	140.4	51%	0.506	78%	0.783	S	S	.	*			trans	-85.1	134.2	168.4	-59.5	-172	68	175.4	-9.9	109	E591 K699	E591-R593 HydrophobicContact CB-CG 3.88Å; E591-R593 PolarHBondContact O-N 3.34Å; E591-R593 WeakPolarHBondContact OE2-CD 3.49Å; R593-K699 VanDerWaalsContact NE-NZ 3.13Å
594	E	40.6	Very low	36.3	Very low	113 Å²	113	142.2 Å²	142.2	53%	0.528	78%	0.782	S	S	.	*				61.6	111.2	109.2	-62.8	155.9	-124.3	0	0	115.3	K699	E594-K699 WeakPolarHBondContact OE1-CE 3.47Å; E594-K699 IonicContact OE1-NZ 3.78Å; E594-K699 PolarHBondContact OE1-NZ 3.47Å
595	D	39.8	Very low	36.2	Very low	161 Å²	161	146 Å²	146	86%	0.861	79%	0.787	S	S	*	*			trans	-163.2	126	146.3	-95	-29.2	0	0	0	106.4
596	S	43.5	Very low	35.9	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	79%	0.791	S	S	*	*			cis	88.8	102.4	21.4	-157.3	0	0	0	0	115.5
597	S	38.1	Very low	35.4	Very low	102 Å²	102	146.8 Å²	146.8	71%	0.713	79%	0.786	S	S	*	*			trans	-178.7	124.4	135.8	35.9	0	0	0	0	110.7
598	D	36	Very low	35.2	Very low	158 Å²	158	145.2 Å²	145.2	85%	0.845	78%	0.784	S	S	*	*			trans	-151.1	95.5	155.4	-104	-32.4	0	0	0	104.2
599	E	39.4	Very low	34.8	Very low	177 Å²	177	141.4 Å²	141.4	83%	0.827	78%	0.775	S	S	*	*			trans	-76.2	133.7	-176.9	-69.4	-73.6	144.8	0	0	111.1	P601	E599-P601 WeakPolarHBondContact O-CD 3.46Å
600	E	33.9	Very low	34.6	Very low	165 Å²	165	138.7 Å²	138.7	77%	0.771	77%	0.767	S	S	*	*			trans	-93.9	113.6	166.2	-77.3	-167.4	148.9	0	0	110.4	N602	E600-N602 PolarHBondContact O-N 2.77Å
601	P	36.6	Very low	34.8	Very low	120 Å²	120	139.4 Å²	139.4	78%	0.779	76%	0.76	S	S	*	*			trans	-78.4	111.4	176	30.7	-32.8	0	0	0	111	E599 T603	E599-P601 WeakPolarHBondContact O-CD 3.46Å; P601-T603 PolarHBondContact O-N 3.17Å
602	N	30.1	Very low	34.9	Very low	156 Å²	156	140.4 Å²	140.4	83%	0.834	77%	0.765	S	S	*	*			trans	-71.4	107.9	162.6	-72	-76.3	0	0	0	109.7	E600	E600-N602 PolarHBondContact O-N 2.77Å
603	T	30.6	Very low	34.6	Very low	117 Å²	117	136 Å²	136	72%	0.718	75%	0.75	S	S	*	*			trans	-170.5	119.5	149.3	5.3	0	0	0	0	113.7	P601	P601-T603 PolarHBondContact O-N 3.17Å
604	E	31.5	Very low	35	Very low	186 Å²	186	131.8 Å²	131.8	87%	0.869	74%	0.741	S	S	*	*			trans	49.3	156	131.8	-63	178	-177.4	0	0	122.8
605	E	32.4	Very low	34.8	Very low	199 Å²	199	130.6 Å²	130.6	93%	0.93	73%	0.734	S	S	*	*			trans	-80	117	-163	-57.1	-178.9	142.7	0	0	114.8
606	V	32.4	Very low	35.1	Very low	142 Å²	142	128.1 Å²	128.1	86%	0.861	71%	0.713	S	S	*	*			trans	-138.3	124.2	151	-176.6	0	0	0	0	110.1
607	S	27.7	Very low	35.3	Very low	106 Å²	106	125.5 Å²	125.5	74%	0.741	70%	0.698	S	S	*	*			trans	-81.7	133.3	-169.3	56.1	0	0	0	0	115.3
608	T	31.1	Very low	35.8	Very low	132 Å²	132	122.7 Å²	122.7	81%	0.81	67%	0.672	S	S	*	*			trans	-140.3	99.9	162.2	40.4	0	0	0	0	111.3
609	P	28.5	Very low	36.2	Very low	107 Å²	107	118 Å²	118	70%	0.695	64%	0.643	S	S	*	*			trans	-110.3	40.4	-161.1	41.8	-36	0	0	0	116.8
610	D	32.3	Very low	36.7	Very low	137 Å²	137	111.2 Å²	111.2	73%	0.733	61%	0.612	S	S	*	*			trans	-104.9	-19	-167.6	-71.2	-66.2	0	0	0	117.4
611	S	38.3	Very low	37.8	Very low	89 Å²	89	107.3 Å²	107.3	62%	0.622	60%	0.599	S	S	*	*	H	α-helix	trans	-83.6	-57.3	-167.4	51.1	0	0	0	0	114.4	S613 S614	S611-S613 PolarHBondContact O-N 3.02Å; S611-S614 PolarHBondContact O-N 3.33Å; S611-S614 PolarHBondContact O-OG 3.07Å
612	E	32.8	Very low	38.4	Very low	163 Å²	163	102.2 Å²	102.2	76%	0.762	57%	0.566	S	S	*	*	H	α-helix	trans	-67.9	-34.1	-172.5	-60.2	-170.3	135.6	0	0	113	S614 F615 Y616	E612-S614 VanDerWaalsContact C-N 3.28Å; E612-S614 PolarHBondContact O-N 2.95Å; E612-F615 WeakPolarHBondContact O-CB 3.44Å; E612-F615 PolarHBondContact O-N 2.83Å; E612-Y616 PolarHBondContact O-N 3.18Å
613	S	35.3	Very low	39.4	Very low	84 Å²	84	96.9 Å²	96.9	59%	0.587	54%	0.536	S	S	*	.	H	α-helix	trans	-51.7	-45.6	173.3	177.9	0	0	0	0	111.9	S611 F615 Y616 A617	S611-S613 PolarHBondContact O-N 3.02Å; S613-F615 PolarHBondContact O-N 2.93Å; S613-Y616 PolarHBondContact O-N 3.21Å; S613-A617 VanDerWaalsContact O-CB 3.27Å; S613-A617 WeakPolarHBondContact O-CB 3.48Å; S613-A617 PolarHBondContact O-N 2.77Å
614	S	43.3	Very low	40.6	Very low	45 Å²	45	96.4 Å²	96.4	32%	0.315	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-25.3	-179	82.8	0	0	0	0	113.7	S611 E612 R618	S611-S614 PolarHBondContact O-N 3.33Å; S611-S614 PolarHBondContact O-OG 3.07Å; E612-S614 VanDerWaalsContact C-N 3.28Å; E612-S614 PolarHBondContact O-N 2.95Å; S614-R618 WeakPolarHBondContact O-CG 3.03Å; S614-R618 PolarHBondContact O-N 2.82Å; S614-R618 PolarHBondContact O-NE 3.43Å; S614-R618 PolarHBondContact OG-NH2 3Å; S614-R618 VanDerWaalsContact OG-NH2 3.15Å
615	F	37.9	Very low	41.6	Very low	89 Å²	89	90 Å²	90	39%	0.39	50%	0.5	S	S	.	.	H	α-helix	trans	-84.2	-47.6	-177.4	-172.1	-103.4	0	0	0	110.9	W472 E612 S613 A617 R618 Y619	W472-F615 HydrophobicContact CB-CZ 4.08Å; W472-F615 AromaticContact CD1-CE1 3.92Å; W472-F615 AromaticContact CD1-CZ 3.38Å; W472-F615 AromaticContact CG-CZ 3.91Å; W472-F615 HydrophobicContact CG-CZ 3.91Å; E612-F615 WeakPolarHBondContact O-CB 3.44Å; E612-F615 PolarHBondContact O-N 2.83Å; S613-F615 PolarHBondContact O-N 2.93Å; F615-A617 VanDerWaalsContact C-N 3.29Å; F615-A617 PolarHBondContact O-N 2.76Å; F615-R618 PolarHBondContact O-N 2.81Å; F615-R618 VanDerWaalsContact O-N 3.14Å; F615-Y619 PolarHBondContact O-N 3.41Å
616	Y	45.4	Very low	42.3	Very low	108 Å²	108	82 Å²	82	42%	0.424	46%	0.464	S	S	.	.	H	α-helix	trans	-65.2	-34.2	175.4	-164.6	-104.5	0	0	0	111.8	E612 S613 Y619 N620	E612-Y616 PolarHBondContact O-N 3.18Å; S613-Y616 PolarHBondContact O-N 3.21Å; Y616-Y619 HydrophobicContact CD2-CD1 4.49Å; Y616-Y619 HydrophobicContact CE2-CD1 4.34Å; Y616-N620 WeakPolarHBondContact CD1-ND2 3.49Å; Y616-N620 VanDerWaalsContact CE1-ND2 3.25Å; Y616-N620 WeakPolarHBondContact CE1-ND2 3.29Å; Y616-N620 WeakPolarHBondContact O-CB 3.47Å; Y616-N620 PolarHBondContact O-N 2.87Å; Y616-N620 VanDerWaalsContact O-N 3.1Å; Y616-N620 PolarHBondContact O-ND2 2.71Å
617	A	47	Very low	43.1	Very low	53 Å²	53	77 Å²	77	44%	0.438	43%	0.432	S	S	.	.	H	α-helix	trans	-60.2	-44.2	170.6	0	0	0	0	0	112.3	S613 F615 N620 V621	S613-A617 VanDerWaalsContact O-CB 3.27Å; S613-A617 WeakPolarHBondContact O-CB 3.48Å; S613-A617 PolarHBondContact O-N 2.77Å; F615-A617 VanDerWaalsContact C-N 3.29Å; F615-A617 PolarHBondContact O-N 2.76Å; A617-N620 WeakPolarHBondContact O-CB 3.45Å; A617-N620 PolarHBondContact O-N 2.86Å; A617-V621 PolarHBondContact O-N 3.28Å; A617-V621 VanDerWaalsContact O-N 3.13Å
618	R	49.7	Very low	44.4	Very low	43 Å²	43	79.9 Å²	79.9	16%	0.162	43%	0.431	C	S	.	.	H	α-helix	trans	-70.4	-40.5	179	-80.3	-179.6	-85.8	-173.4	-3.5	113.6	E548 E555 S614 F615 N620 V621 I622	E548-R618 VanDerWaalsContact OE1-CD 3.31Å; E548-R618 WeakPolarHBondContact OE1-CD 3.45Å; E555-R618 IonicContact OE1-NH1 2.7Å; E555-R618 PolarHBondContact OE1-NH1 2.88Å; E555-R618 IonicContact OE2-CZ 3.66Å; E555-R618 IonicContact OE2-NH1 2.7Å; E555-R618 PolarHBondContact OE2-NH1 3.31Å; E555-R618 IonicContact OE2-NH2 3.29Å; E555-R618 PolarHBondContact OE2-NH2 2.95Å; S614-R618 WeakPolarHBondContact O-CG 3.03Å; S614-R618 PolarHBondContact O-N 2.82Å; S614-R618 PolarHBondContact O-NE 3.43Å; S614-R618 PolarHBondContact OG-NH2 3Å; S614-R618 VanDerWaalsContact OG-NH2 3.15Å; F615-R618 PolarHBondContact O-N 2.81Å; F615-R618 VanDerWaalsContact O-N 3.14Å; R618-N620 PolarHBondContact O-N 3.18Å; R618-V621 WeakPolarHBondContact O-CB 3.49Å; R618-V621 PolarHBondContact O-N 3.09Å; R618-I622 WeakPolarHBondContact O-CG1 3.44Å; R618-I622 PolarHBondContact O-N 3.16Å
619	Y	44.1	Very low	45	Very low	61 Å²	61	78.7 Å²	78.7	24%	0.239	41%	0.414	C	S	.	.	H	α-helix	trans	-52.1	-46.1	168.4	169.1	-100.5	0	0	0	111.4	F615 Y616 V621 I622 M623	F615-Y619 PolarHBondContact O-N 3.41Å; Y616-Y619 HydrophobicContact CD2-CD1 4.49Å; Y616-Y619 HydrophobicContact CE2-CD1 4.34Å; Y619-V621 VanDerWaalsContact C-N 3.27Å; Y619-V621 PolarHBondContact O-N 2.82Å; Y619-I622 PolarHBondContact O-N 3.26Å; Y619-M623 HydrophobicContact CD2-CG 4.24Å; Y619-M623 HydrophobicContact CE1-CG 4.25Å; Y619-M623 HydrophobicContact CE2-CG 3.77Å; Y619-M623 HydrophobicContact CE2-SD 4.28Å; Y619-M623 PolarHBondContact O-N 2.58Å
620	N	49.3	Very low	45.7	Very low	33 Å²	33	82.6 Å²	82.6	18%	0.176	42%	0.415	C	S	.	.	H	α-helix	trans	-67.3	-18.5	176.6	-89	-84.8	0	0	0	114.7	Y616 A617 R618 K624	Y616-N620 WeakPolarHBondContact CD1-ND2 3.49Å; Y616-N620 VanDerWaalsContact CE1-ND2 3.25Å; Y616-N620 WeakPolarHBondContact CE1-ND2 3.29Å; Y616-N620 WeakPolarHBondContact O-CB 3.47Å; Y616-N620 PolarHBondContact O-N 2.87Å; Y616-N620 VanDerWaalsContact O-N 3.1Å; Y616-N620 PolarHBondContact O-ND2 2.71Å; A617-N620 WeakPolarHBondContact O-CB 3.45Å; A617-N620 PolarHBondContact O-N 2.86Å; R618-N620 PolarHBondContact O-N 3.18Å; N620-K624 WeakPolarHBondContact O-CB 3.28Å; N620-K624 WeakPolarHBondContact O-CD 3.46Å; N620-K624 VanDerWaalsContact O-CE 3.27Å; N620-K624 WeakPolarHBondContact O-CE 3.46Å; N620-K624 WeakPolarHBondContact O-CG 3.44Å; N620-K624 PolarHBondContact O-NZ 3.33Å
621	V	56.7	Low	46.2	Very low	83 Å²	83	82 Å²	82	50%	0.503	41%	0.412	S	S	.	.	H	α-helix	trans	-82.4	-48.8	171.5	170.3	0	0	0	0	110	A617 R618 Y619 M623 K624 S625	A617-V621 PolarHBondContact O-N 3.28Å; A617-V621 VanDerWaalsContact O-N 3.13Å; R618-V621 WeakPolarHBondContact O-CB 3.49Å; R618-V621 PolarHBondContact O-N 3.09Å; Y619-V621 VanDerWaalsContact C-N 3.27Å; Y619-V621 PolarHBondContact O-N 2.82Å; V621-M623 PolarHBondContact O-N 3.28Å; V621-K624 PolarHBondContact O-N 2.97Å; V621-S625 PolarHBondContact O-N 3.09Å; V621-S625 PolarHBondContact O-OG 2.99Å
622	I	49.8	Very low	46.3	Very low	13 Å²	13	82 Å²	82	7%	0.067	41%	0.412	C	S	.	.	H	α-helix	trans	-57.7	-49.8	-179	-67.7	169.2	0	0	0	111.1	W472 L545 E548 L552 R618 Y619 S625 I626	W472-I622 HydrophobicContact CH2-CD1 4.33Å; W472-I622 HydrophobicContact CZ2-CD1 4.32Å; L545-I622 HydrophobicContact CD1-CG2 3.97Å; E548-I622 HydrophobicContact CG-CD1 3.92Å; E548-I622 HydrophobicContact CG-CG1 3.96Å; L552-I622 HydrophobicContact CD1-CD1 3.75Å; R618-I622 WeakPolarHBondContact O-CG1 3.44Å; R618-I622 PolarHBondContact O-N 3.16Å; Y619-I622 PolarHBondContact O-N 3.26Å; I622-S625 PolarHBondContact O-N 3.24Å; I622-I626 HydrophobicContact CG2-CD1 4.2Å; I622-I626 WeakPolarHBondContact O-CG1 3.44Å; I622-I626 PolarHBondContact O-N 3.1Å
623	M	51.7	Low	46.5	Very low	44 Å²	44	80 Å²	80	22%	0.217	41%	0.411	C	S	.	.	H	α-helix	trans	-60.1	-48.8	177.7	-70	-59.2	-57.9	0	0	111.6	Y619 V621 S625 I626 D627	Y619-M623 HydrophobicContact CD2-CG 4.24Å; Y619-M623 HydrophobicContact CE1-CG 4.25Å; Y619-M623 HydrophobicContact CE2-CG 3.77Å; Y619-M623 HydrophobicContact CE2-SD 4.28Å; Y619-M623 PolarHBondContact O-N 2.58Å; V621-M623 PolarHBondContact O-N 3.28Å; M623-S625 VanDerWaalsContact C-N 3.26Å; M623-S625 PolarHBondContact O-N 3.03Å; M623-I626 WeakPolarHBondContact O-CB 3.31Å; M623-I626 PolarHBondContact O-N 2.88Å; M623-D627 PolarHBondContact O-N 3.23Å; M623-D627 VanDerWaalsContact O-OD2 3.11Å
624	K	55.6	Low	46.6	Very low	108 Å²	108	82.3 Å²	82.3	47%	0.47	42%	0.421	S	S	.	.	H	α-helix	trans	-59.9	-33.8	178.7	-73.1	172.5	-160.4	149.3	0	113.1	N620 V621 K628	N620-K624 WeakPolarHBondContact O-CB 3.28Å; N620-K624 WeakPolarHBondContact O-CD 3.46Å; N620-K624 VanDerWaalsContact O-CE 3.27Å; N620-K624 WeakPolarHBondContact O-CE 3.46Å; N620-K624 WeakPolarHBondContact O-CG 3.44Å; N620-K624 PolarHBondContact O-NZ 3.33Å; V621-K624 PolarHBondContact O-N 2.97Å; K624-K628 WeakPolarHBondContact O-CB 3.13Å; K624-K628 PolarHBondContact O-N 2.82Å
625	S	52	Low	46.2	Very low	52 Å²	52	88.4 Å²	88.4	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-68.1	-38.3	175	-67.6	0	0	0	0	112.5	V621 I622 M623 K629	V621-S625 PolarHBondContact O-N 3.09Å; V621-S625 PolarHBondContact O-OG 2.99Å; I622-S625 PolarHBondContact O-N 3.24Å; M623-S625 VanDerWaalsContact C-N 3.26Å; M623-S625 PolarHBondContact O-N 3.03Å; S625-K629 PolarHBondContact O-N 2.94Å
626	I	47.8	Very low	46	Very low	31 Å²	31	87.8 Å²	87.8	16%	0.159	47%	0.47	C	S	.	.	H	α-helix	trans	-66.4	-48.9	174.6	-65	166.3	0	0	0	110.3	L545 I622 M623 K629 R630	L545-I626 HydrophobicContact CD1-CD1 4.15Å; L545-I626 HydrophobicContact CD1-CG1 3.94Å; I622-I626 HydrophobicContact CG2-CD1 4.2Å; I622-I626 WeakPolarHBondContact O-CG1 3.44Å; I622-I626 PolarHBondContact O-N 3.1Å; M623-I626 WeakPolarHBondContact O-CB 3.31Å; M623-I626 PolarHBondContact O-N 2.88Å; I626-K629 PolarHBondContact O-N 3.06Å; I626-R630 PolarHBondContact O-N 3.26Å
627	D	49.5	Very low	45.6	Very low	37 Å²	37	90.5 Å²	90.5	20%	0.198	49%	0.491	C	S	.	.	H	α-helix	trans	-69.6	-36.9	-175.5	-56.9	-30.7	0	0	0	111.9	M623 K629 R630 N631	M623-D627 PolarHBondContact O-N 3.23Å; M623-D627 VanDerWaalsContact O-OD2 3.11Å; D627-K629 VanDerWaalsContact C-N 3.28Å; D627-K629 PolarHBondContact O-N 3.38Å; D627-R630 PolarHBondContact O-N 3.15Å; D627-R630 VanDerWaalsContact O-N 3.12Å; D627-N631 WeakPolarHBondContact O-CB 3.3Å; D627-N631 PolarHBondContact O-N 2.71Å; D627-N631 PolarHBondContact O-ND2 3.03Å
628	K	53.3	Low	44.9	Very low	166 Å²	166	93.9 Å²	93.9	72%	0.722	51%	0.506	S	S	*	.	H	α-helix	trans	-66.3	-28.2	176.3	-169.4	177.4	-176.3	-172.7	0	112.5	K624 S632	K624-K628 WeakPolarHBondContact O-CB 3.13Å; K624-K628 PolarHBondContact O-N 2.82Å; K628-S632 WeakPolarHBondContact O-CB 3.03Å; K628-S632 PolarHBondContact O-N 2.97Å
629	K	45.2	Very low	44.1	Very low	106 Å²	106	96 Å²	96	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-77.8	-25.4	171.1	-103.7	176.9	166.3	175.7	0	113.6	A541 D542 S625 I626 D627	A541-K629 PolarHBondContact O-NZ 3.06Å; D542-K629 WeakPolarHBondContact OD1-CD 3.27Å; D542-K629 IonicContact OD1-NZ 3.11Å; D542-K629 PolarHBondContact OD1-NZ 2.81Å; S625-K629 PolarHBondContact O-N 2.94Å; I626-K629 PolarHBondContact O-N 3.06Å; D627-K629 VanDerWaalsContact C-N 3.28Å; D627-K629 PolarHBondContact O-N 3.38Å
630	R	42.8	Very low	43.7	Very low	189 Å²	189	101.7 Å²	101.7	71%	0.713	55%	0.554	S	S	*	*	H	α-helix	trans	-78.1	-33.4	172.6	-74.6	177.9	165.9	-174.3	-7.1	112.9	I626 D627	I626-R630 PolarHBondContact O-N 3.26Å; D627-R630 PolarHBondContact O-N 3.15Å; D627-R630 VanDerWaalsContact O-N 3.12Å
631	N	43.4	Very low	42.8	Very low	125 Å²	125	105.8 Å²	105.8	67%	0.668	58%	0.582	S	S	*	*	S	Bend	trans	-100.8	7.8	-173.8	-66.3	-37.5	0	0	0	114.7	D627 V633	D627-N631 WeakPolarHBondContact O-CB 3.3Å; D627-N631 PolarHBondContact O-N 2.71Å; D627-N631 PolarHBondContact O-ND2 3.03Å; N631-V633 PolarHBondContact O-N 3.39Å
632	S	39.5	Very low	41.6	Very low	89 Å²	89	109.7 Å²	109.7	62%	0.622	60%	0.601	S	S	*	*			trans	-79.4	46.2	179.9	67.3	0	0	0	0	114	K628	K628-S632 WeakPolarHBondContact O-CB 3.03Å; K628-S632 PolarHBondContact O-N 2.97Å
633	V	37.3	Very low	41.2	Very low	122 Å²	122	120.1 Å²	120.1	74%	0.739	64%	0.639	S	S	*	*	S	Bend	trans	-131.6	121.3	165	179.3	0	0	0	0	106.6	N631	N631-V633 PolarHBondContact O-N 3.39Å
634	T	37.1	Very low	40.4	Very low	131 Å²	131	124.5 Å²	124.5	80%	0.804	66%	0.657	S	S	*	*	S	Bend	trans	80.2	118.2	-163.2	70	0	0	0	0	115.1
635	D	34.2	Very low	39.3	Very low	174 Å²	174	122.2 Å²	122.2	93%	0.93	65%	0.654	S	S	*	*			trans	-80.8	155.7	174.5	-54.8	-82	0	0	0	111.8
636	G	33.7	Very low	38.5	Very low	76 Å²	76	126.2 Å²	126.2	78%	0.784	67%	0.667	S	S	*	*			trans	-178.2	40.6	-174.3	0	0	0	0	0	119.8
637	D	37.6	Very low	37.9	Very low	164 Å²	164	131.8 Å²	131.8	88%	0.877	69%	0.691	S	S	*	*			trans	65.9	170.1	156.8	-129	-36.5	0	0	0	120.6
638	T	32.1	Very low	37.1	Very low	124 Å²	124	132.9 Å²	132.9	76%	0.761	70%	0.696	S	S	*	*			trans	-131.4	130	-155.6	-54.2	0	0	0	0	114.3
639	S	32.7	Very low	36	Very low	88 Å²	88	129.1 Å²	129.1	62%	0.615	68%	0.682	S	S	*	*			trans	176.3	166.4	140.2	53.9	0	0	0	0	114.4
640	K	35.8	Very low	35.6	Very low	181 Å²	181	128.9 Å²	128.9	79%	0.787	69%	0.686	S	S	*	*			trans	54.9	91.3	162.6	-64.1	175.6	-172.3	178.4	0	118.3
641	P	30.4	Very low	35.3	Very low	118 Å²	118	122 Å²	122	77%	0.766	67%	0.665	S	S	*	*			trans	-106.2	75.7	174.2	38.8	-30.4	0	0	0	113.6
642	N	33	Very low	34.8	Very low	166 Å²	166	117.7 Å²	117.7	89%	0.888	64%	0.642	S	S	*	*	S	Bend	trans	-139.9	21.6	163.3	-153.2	18.8	0	0	0	114.8
643	R	39.9	Very low	34.7	Very low	232 Å²	232	117.6 Å²	117.6	88%	0.875	64%	0.637	S	S	*	*	S	Bend	trans	-137.1	2.6	173.3	-143.6	178.2	-170	-176.1	2.9	113.7
644	K	34.8	Very low	34.6	Very low	135 Å²	135	114.9 Å²	114.9	59%	0.587	62%	0.624	S	S	*	*	H	α-helix	trans	-88.4	-2	-179	-64	-175	176.6	-177.6	0	113	L648	K644-L648 VanDerWaalsContact O-CB 3.32Å; K644-L648 WeakPolarHBondContact O-CB 3.27Å; K644-L648 PolarHBondContact O-N 2.78Å
645	S	32.9	Very low	34.5	Very low	60 Å²	60	113.3 Å²	113.3	42%	0.42	61%	0.608	S	S	.	*	H	α-helix	trans	-73.6	-59.8	-179.2	-175.1	0	0	0	0	112.1	F647 L648 M649	S645-F647 PolarHBondContact O-N 2.9Å; S645-L648 PolarHBondContact O-N 2.88Å; S645-M649 PolarHBondContact O-N 2.78Å; S645-M649 VanDerWaalsContact O-N 3.12Å
646	Q	36.6	Very low	34.6	Very low	136 Å²	136	109.7 Å²	109.7	64%	0.636	59%	0.588	S	S	*	*	H	α-helix	trans	-50.7	-53.2	171.9	-104.3	72	18.1	0	0	111.9	L648 M649 D650	Q646-L648 PolarHBondContact O-N 3.22Å; Q646-L648 VanDerWaalsContact O-N 3.17Å; Q646-M649 WeakPolarHBondContact O-CA 3.33Å; Q646-M649 WeakPolarHBondContact O-CB 3.2Å; Q646-M649 PolarHBondContact O-N 2.9Å; Q646-D650 PolarHBondContact O-N 3.22Å
647	F	35.3	Very low	34.7	Very low	149 Å²	149	112.8 Å²	112.8	65%	0.654	58%	0.58	S	S	*	*	H	α-helix	trans	-62.3	-29.6	-175	-156	-90	0	0	0	113.2	S645 T651	S645-F647 PolarHBondContact O-N 2.9Å; F647-T651 WeakPolarHBondContact O-CB 3.36Å; F647-T651 PolarHBondContact O-N 2.92Å; F647-T651 PolarHBondContact O-OG1 3.28Å
648	L	31.8	Very low	34.5	Very low	60 Å²	60	110.8 Å²	110.8	31%	0.314	57%	0.569	S	S	.	*	H	α-helix	trans	-72.1	-39	170.3	-92.7	165.6	0	0	0	112.3	K644 S645 Q646 D650 T651 I652	K644-L648 VanDerWaalsContact O-CB 3.32Å; K644-L648 WeakPolarHBondContact O-CB 3.27Å; K644-L648 PolarHBondContact O-N 2.78Å; S645-L648 PolarHBondContact O-N 2.88Å; Q646-L648 PolarHBondContact O-N 3.22Å; Q646-L648 VanDerWaalsContact O-N 3.17Å; L648-D650 VanDerWaalsContact C-N 3.33Å; L648-T651 PolarHBondContact O-N 2.98Å; L648-I652 VanDerWaalsContact O-CB 3.24Å; L648-I652 WeakPolarHBondContact O-CB 3.43Å; L648-I652 WeakPolarHBondContact O-CD1 3.42Å; L648-I652 WeakPolarHBondContact O-CG1 3.28Å; L648-I652 PolarHBondContact O-N 3.45Å
649	M	30.9	Very low	34.8	Very low	86 Å²	86	109.4 Å²	109.4	42%	0.424	56%	0.556	S	S	.	*	H	α-helix	trans	-63.7	-40.3	174.3	-63.2	-65.5	-77.2	0	0	111.2	S645 Q646 T653	S645-M649 PolarHBondContact O-N 2.78Å; S645-M649 VanDerWaalsContact O-N 3.12Å; Q646-M649 WeakPolarHBondContact O-CA 3.33Å; Q646-M649 WeakPolarHBondContact O-CB 3.2Å; Q646-M649 PolarHBondContact O-N 2.9Å; M649-T653 WeakPolarHBondContact O-CB 3.29Å; M649-T653 PolarHBondContact O-N 2.83Å; M649-T653 PolarHBondContact O-OG1 3.03Å
650	D	35.4	Very low	34.9	Very low	101 Å²	101	111.4 Å²	111.4	54%	0.54	56%	0.556	S	S	.	*	H	α-helix	trans	-64.2	-45	174.2	-59	-38.6	0	0	0	111.2	Q646 L648 T653 S654	Q646-D650 PolarHBondContact O-N 3.22Å; L648-D650 VanDerWaalsContact C-N 3.33Å; D650-T653 CarbonylContact O-C 3.53Å; D650-T653 PolarHBondContact O-N 3.41Å; D650-S654 PolarHBondContact O-N 3.2Å
651	T	37.4	Very low	34.7	Very low	44 Å²	44	109.5 Å²	109.5	27%	0.27	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-43.1	176.9	-56.5	0	0	0	0	111.8	F647 L648 T653 S654 E655	F647-T651 WeakPolarHBondContact O-CB 3.36Å; F647-T651 PolarHBondContact O-N 2.92Å; F647-T651 PolarHBondContact O-OG1 3.28Å; L648-T651 PolarHBondContact O-N 2.98Å; T651-T653 VanDerWaalsContact C-N 3.26Å; T651-T653 PolarHBondContact O-N 2.89Å; T651-S654 CarbonylContact O-C 3.6Å; T651-S654 WeakPolarHBondContact O-CA 3.47Å; T651-S654 VanDerWaalsContact O-CB 3.28Å; T651-S654 WeakPolarHBondContact O-CB 3.03Å; T651-S654 PolarHBondContact O-N 3.48Å; T651-E655 HydrophobicContact CG2-CG 4.35Å; T651-E655 PolarHBondContact O-N 3.4Å
652	I	32.8	Very low	34.5	Very low	36 Å²	36	111.1 Å²	111.1	19%	0.185	56%	0.556	C	S	.	*	H	α-helix	trans	-65.1	-32.5	175.6	-70.9	164.9	0	0	0	110.6	L648 S654 N656	L648-I652 VanDerWaalsContact O-CB 3.24Å; L648-I652 WeakPolarHBondContact O-CB 3.43Å; L648-I652 WeakPolarHBondContact O-CD1 3.42Å; L648-I652 WeakPolarHBondContact O-CG1 3.28Å; L648-I652 PolarHBondContact O-N 3.45Å; I652-S654 VanDerWaalsContact C-N 3.3Å; I652-N656 VanDerWaalsContact CG2-ND2 3.29Å; I652-N656 WeakPolarHBondContact CG2-ND2 3.41Å; I652-N656 WeakPolarHBondContact O-CB 3.48Å; I652-N656 PolarHBondContact O-N 3Å; I652-N656 PolarHBondContact O-ND2 2.79Å
653	T	36.7	Very low	34.1	Very low	86 Å²	86	106.4 Å²	106.4	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-73.4	-22.8	173.3	-54.4	0	0	0	0	112.3	M649 D650 T651	M649-T653 WeakPolarHBondContact O-CB 3.29Å; M649-T653 PolarHBondContact O-N 2.83Å; M649-T653 PolarHBondContact O-OG1 3.03Å; D650-T653 CarbonylContact O-C 3.53Å; D650-T653 PolarHBondContact O-N 3.41Å; T651-T653 VanDerWaalsContact C-N 3.26Å; T651-T653 PolarHBondContact O-N 2.89Å
654	S	35.8	Very low	33.6	Very low	66 Å²	66	103.2 Å²	103.2	46%	0.462	54%	0.541	S	S	.	.	H	α-helix	trans	-76.6	-55	167.5	-164.9	0	0	0	0	111.5	D650 T651 I652 N656 K657 D658	D650-S654 PolarHBondContact O-N 3.2Å; T651-S654 CarbonylContact O-C 3.6Å; T651-S654 WeakPolarHBondContact O-CA 3.47Å; T651-S654 VanDerWaalsContact O-CB 3.28Å; T651-S654 WeakPolarHBondContact O-CB 3.03Å; T651-S654 PolarHBondContact O-N 3.48Å; I652-S654 VanDerWaalsContact C-N 3.3Å; S654-N656 VanDerWaalsContact C-N 3.28Å; S654-N656 PolarHBondContact O-N 2.91Å; S654-K657 WeakPolarHBondContact O-CA 3.18Å; S654-K657 VanDerWaalsContact O-CB 3.28Å; S654-K657 WeakPolarHBondContact O-CB 3.28Å; S654-K657 PolarHBondContact O-N 3.29Å; S654-D658 PolarHBondContact O-N 3.3Å
655	E	34.8	Very low	33.1	Very low	98 Å²	98	105.9 Å²	105.9	46%	0.458	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-27.9	-174.9	-69.2	-176.4	179	0	0	113	T651 K657 D658 I659	T651-E655 HydrophobicContact CG2-CG 4.35Å; T651-E655 PolarHBondContact O-N 3.4Å; E655-K657 PolarHBondContact O-N 2.82Å; E655-D658 CarbonylContact O-C 3.56Å; E655-D658 PolarHBondContact O-N 3.3Å; E655-I659 WeakPolarHBondContact O-CD1 3.46Å; E655-I659 VanDerWaalsContact O-CG1 3.26Å; E655-I659 WeakPolarHBondContact O-CG1 3.35Å; E655-I659 PolarHBondContact O-N 2.97Å
656	N	36.1	Very low	33.3	Very low	97 Å²	97	105.2 Å²	105.2	52%	0.519	55%	0.547	S	S	.	.	H	α-helix	trans	-70.6	-16.1	170.9	-78.5	-63.6	0	0	0	113.8	I652 S654	I652-N656 VanDerWaalsContact CG2-ND2 3.29Å; I652-N656 WeakPolarHBondContact CG2-ND2 3.41Å; I652-N656 WeakPolarHBondContact O-CB 3.48Å; I652-N656 PolarHBondContact O-N 3Å; I652-N656 PolarHBondContact O-ND2 2.79Å; S654-N656 VanDerWaalsContact C-N 3.28Å; S654-N656 PolarHBondContact O-N 2.91Å
657	K	36.2	Very low	33.4	Very low	142 Å²	142	103.4 Å²	103.4	62%	0.617	54%	0.538	S	S	*	.	H	α-helix	trans	-77.9	-40.9	165.8	-61.6	177.4	-179.1	-175.3	0	110.5	S654 E655 I659 Q660	S654-K657 WeakPolarHBondContact O-CA 3.18Å; S654-K657 VanDerWaalsContact O-CB 3.28Å; S654-K657 WeakPolarHBondContact O-CB 3.28Å; S654-K657 PolarHBondContact O-N 3.29Å; E655-K657 PolarHBondContact O-N 2.82Å; K657-I659 PolarHBondContact O-N 2.85Å; K657-Q660 VanDerWaalsContact O-CB 3.24Å; K657-Q660 WeakPolarHBondContact O-CB 3.3Å; K657-Q660 WeakPolarHBondContact O-CG 3.26Å; K657-Q660 PolarHBondContact O-N 3.48Å
658	D	32.9	Very low	34.2	Very low	122 Å²	122	101.7 Å²	101.7	65%	0.652	54%	0.536	S	S	*	.	H	α-helix	trans	-68.3	-18.9	175.9	-61	-50.5	0	0	0	113.4	S654 E655 Q660	S654-D658 PolarHBondContact O-N 3.3Å; E655-D658 CarbonylContact O-C 3.56Å; E655-D658 PolarHBondContact O-N 3.3Å; D658-Q660 VanDerWaalsContact C-N 3.26Å
659	I	39.5	Very low	35.5	Very low	94 Å²	94	101.8 Å²	101.8	48%	0.482	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	1.5	171.9	-67.2	163.3	0	0	0	112.2	E655 K657 L661	E655-I659 WeakPolarHBondContact O-CD1 3.46Å; E655-I659 VanDerWaalsContact O-CG1 3.26Å; E655-I659 WeakPolarHBondContact O-CG1 3.35Å; E655-I659 PolarHBondContact O-N 2.97Å; K657-I659 PolarHBondContact O-N 2.85Å; I659-L661 PolarHBondContact O-N 3.11Å
660	Q	34.3	Very low	37.1	Very low	131 Å²	131	103.8 Å²	103.8	61%	0.612	56%	0.556	S	S	*	*	S	Bend	trans	-67.6	79.7	158.9	-64.9	-169.6	4.9	0	0	110	K657 D658 N662	K657-Q660 VanDerWaalsContact O-CB 3.24Å; K657-Q660 WeakPolarHBondContact O-CB 3.3Å; K657-Q660 WeakPolarHBondContact O-CG 3.26Å; K657-Q660 PolarHBondContact O-N 3.48Å; D658-Q660 VanDerWaalsContact C-N 3.26Å; Q660-N662 PolarHBondContact O-N 3.11Å
661	L	30.4	Very low	39	Very low	140 Å²	140	100.4 Å²	100.4	73%	0.733	54%	0.537	S	S	*	.			trans	-65	93.5	-168.9	-87	162.8	0	0	0	113.7	I659	I659-L661 PolarHBondContact O-N 3.11Å
662	N	26.7	Very low	41	Very low	153 Å²	153	101.1 Å²	101.1	82%	0.818	54%	0.542	S	S	*	.	S	Bend	trans	61.7	57.8	151.9	-55.9	-38.7	0	0	0	116.1	Q660	Q660-N662 PolarHBondContact O-N 3.11Å
663	G	24.4	Very low	43.1	Very low	67 Å²	67	102.7 Å²	102.7	69%	0.691	55%	0.551	S	S	*	*	S	Bend	trans	-173	117.2	166	0	0	0	0	0	113.8
664	E	29	Very low	45.2	Very low	165 Å²	165	105.3 Å²	105.3	77%	0.771	56%	0.557	S	S	*	*			trans	62.8	92.9	167.1	-154.4	159.3	-117.8	0	0	115.9	V666	E664-V666 VanDerWaalsContact C-N 3.29Å; E664-V666 HydrophobicContact CG-CG2 4.07Å; E664-V666 PolarHBondContact O-N 2.82Å
665	F	26.1	Very low	47.3	Very low	191 Å²	191	105.4 Å²	105.4	84%	0.838	55%	0.552	S	S	*	*			trans	-71.7	80.6	175.4	-163.2	-85.2	0	0	0	110.3	E667	F665-E667 HydrophobicContact CD1-CG 4.43Å; F665-E667 HydrophobicContact CE1-CG 4.13Å
666	V	36.9	Very low	49.6	Very low	46 Å²	46	100.7 Å²	100.7	28%	0.279	53%	0.53	S	S	.	.			trans	-84.2	113.3	168.2	-177.1	0	0	0	0	107.5	E664 D668 K725	E664-V666 VanDerWaalsContact C-N 3.29Å; E664-V666 HydrophobicContact CG-CG2 4.07Å; E664-V666 PolarHBondContact O-N 2.82Å; V666-D668 PolarHBondContact O-N 3.17Å; V666-D668 VanDerWaalsContact O-N 3.16Å; V666-K725 HydrophobicContact CG1-CD 4.46Å
667	E	38.6	Very low	51.8	Low	98 Å²	98	98.7 Å²	98.7	46%	0.458	52%	0.518	S	S	.	.			trans	-60.4	116.2	161.9	-65	174.8	133.9	0	0	108.1	F665 V669 H728	F665-E667 HydrophobicContact CD1-CG 4.43Å; F665-E667 HydrophobicContact CE1-CG 4.13Å; E667-V669 PolarHBondContact O-N 2.7Å; E667-H728 IonicContact OE2-CD2 2.82Å; E667-H728 IonicContact OE2-CE1 3.9Å; E667-H728 PolarHBondContact OE2-CE1 2.95Å; E667-H728 IonicContact OE2-NE2 3.97Å; E667-H728 PolarHBondContact OE2-NE2 2.99Å
668	D	51.1	Low	54	Low	113 Å²	113	97.1 Å²	97.1	60%	0.604	51%	0.511	S	S	*	.			trans	-58.8	125.2	174	-85.5	-42	0	0	0	109.1	V666 T670	V666-D668 PolarHBondContact O-N 3.17Å; V666-D668 VanDerWaalsContact O-N 3.16Å; D668-T670 PolarHBondContact O-N 2.7Å
669	V	60.5	Low	56.4	Low	61 Å²	61	92.1 Å²	92.1	37%	0.37	48%	0.483	S	S	.	.			trans	-68.2	100	178.2	179.8	0	0	0	0	107.7	E667 I671 L724 H728	E667-V669 PolarHBondContact O-N 2.7Å; V669-I671 VanDerWaalsContact C-N 3.32Å; V669-I671 HydrophobicContact CG1-CG1 4.28Å; V669-I671 PolarHBondContact O-N 3.49Å; V669-L724 HydrophobicContact CG1-CB 4.49Å; V669-L724 HydrophobicContact CG1-CD1 4.35Å; V669-H728 HydrophobicContact CG2-CB 4.1Å
670	T	64.2	Low	58.5	Low	128 Å²	128	87.7 Å²	87.7	79%	0.785	46%	0.46	S	S	*	.			trans	-72	85.5	-178.6	54.6	0	0	0	0	110.8	D668	D668-T670 PolarHBondContact O-N 2.7Å
671	I	74.7	Confident	60.8	Low	30 Å²	30	87 Å²	87	15%	0.154	46%	0.457	C	S	.	.			trans	-68	127	173.1	-66.3	170.8	0	0	0	108.5	P498 V669 D675 L721 L724	P498-I671 HydrophobicContact CG-CG2 4.27Å; V669-I671 VanDerWaalsContact C-N 3.32Å; V669-I671 HydrophobicContact CG1-CG1 4.28Å; V669-I671 PolarHBondContact O-N 3.49Å; I671-D675 HydrophobicContact CG2-CB 3.69Å; I671-L721 HydrophobicContact CD1-CD2 3.13Å; I671-L724 HydrophobicContact CD1-CD1 4.1Å; I671-L724 HydrophobicContact CG1-CD1 4.26Å
672	T	79	Confident	63.3	Low	59 Å²	59	82.9 Å²	82.9	36%	0.362	43%	0.434	S	S	.	.			trans	-84.5	170.7	178.9	81.3	0	0	0	0	111.7	E674 D675 C676	T672-E674 VanDerWaalsContact C-N 3.27Å; T672-E674 WeakPolarHBondContact CB-OE2 3.42Å; T672-E674 PolarHBondContact O-N 2.97Å; T672-E674 PolarHBondContact OG1-N 2.89Å; T672-E674 PolarHBondContact OG1-OE2 3.49Å; T672-D675 PolarHBondContact O-N 3.32Å; T672-D675 PolarHBondContact OG1-N 3.3Å; T672-C676 PolarHBondContact O-N 2.88Å; T672-C676 PolarHBondContact O-SG 2.97Å
673	D	77.2	Confident	66	Low	69 Å²	69	75.7 Å²	75.7	37%	0.369	40%	0.395	S	S	.	.	H	α-helix	trans	-62.4	-35.7	171.5	-86.1	-36.8	0	0	0	111.7	R501 D675 C676 E677	R501-D673 IonicContact CZ-OD1 3.13Å; R501-D673 IonicContact CZ-OD2 2.77Å; R501-D673 IonicContact NE-OD1 2.73Å; R501-D673 PolarHBondContact NE-OD1 3.4Å; R501-D673 IonicContact NH2-OD1 2.75Å; R501-D673 PolarHBondContact NH2-OD1 3.05Å; R501-D673 IonicContact NH2-OD2 3.19Å; R501-D673 PolarHBondContact NH2-OD2 3.06Å; D673-D675 PolarHBondContact O-N 2.83Å; D673-C676 WeakPolarHBondContact O-CB 3.42Å; D673-C676 PolarHBondContact O-N 3.26Å; D673-C676 VanDerWaalsContact O-N 3.14Å; D673-E677 WeakPolarHBondContact O-CG 3.43Å; D673-E677 PolarHBondContact O-N 3.45Å
674	E	79.9	Confident	68.8	Low	141 Å²	141	76.9 Å²	76.9	66%	0.659	38%	0.383	S	S	*	.	H	α-helix	trans	-64.2	-37	174.7	-57.6	83.6	176.5	0	0	112.8	T672 C676 E677 K678	T672-E674 VanDerWaalsContact C-N 3.27Å; T672-E674 WeakPolarHBondContact CB-OE2 3.42Å; T672-E674 PolarHBondContact O-N 2.97Å; T672-E674 PolarHBondContact OG1-N 2.89Å; T672-E674 PolarHBondContact OG1-OE2 3.49Å; E674-C676 VanDerWaalsContact C-N 3.35Å; E674-E677 PolarHBondContact O-N 3.39Å; E674-K678 WeakPolarHBondContact O-CB 3.45Å; E674-K678 PolarHBondContact O-N 3.42Å
675	D	81.6	Confident	71.3	Confident	68 Å²	68	76.8 Å²	76.8	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-67	-36.7	171.8	-77.9	-41.3	0	0	0	111.5	I671 T672 D673 K678 Y679	I671-D675 HydrophobicContact CG2-CB 3.69Å; T672-D675 PolarHBondContact O-N 3.32Å; T672-D675 PolarHBondContact OG1-N 3.3Å; D673-D675 PolarHBondContact O-N 2.83Å; D675-K678 PolarHBondContact O-N 2.82Å; D675-Y679 VanDerWaalsContact O-CD2 3.22Å; D675-Y679 WeakPolarHBondContact O-CD2 3.38Å; D675-Y679 PolarHBondContact O-N 3.43Å
676	C	81.6	Confident	73.7	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-66.3	-42.5	175	-64.1	0	0	0	0	112	R501 T672 D673 E674 K678 Y679 I680	R501-C676 HydrophobicContact CB-CB 4.47Å; R501-C676 HydrophobicContact CG-CB 4.06Å; T672-C676 PolarHBondContact O-N 2.88Å; T672-C676 PolarHBondContact O-SG 2.97Å; D673-C676 WeakPolarHBondContact O-CB 3.42Å; D673-C676 PolarHBondContact O-N 3.26Å; D673-C676 VanDerWaalsContact O-N 3.14Å; E674-C676 VanDerWaalsContact C-N 3.35Å; C676-K678 VanDerWaalsContact C-N 3.31Å; C676-K678 PolarHBondContact O-N 3.2Å; C676-Y679 PolarHBondContact O-N 3.5Å; C676-I680 WeakPolarHBondContact O-CG1 3.27Å; C676-I680 PolarHBondContact O-N 3.46Å
677	E	82	Confident	75.5	Confident	54 Å²	54	73.5 Å²	73.5	25%	0.252	38%	0.379	S	S	.	.	H	α-helix	trans	-57.8	-45	172.4	-73.3	-56.3	140.5	0	0	111.6	R505 D673 E674 I680 Q681	R505-E677 IonicContact CZ-OE1 2.91Å; R505-E677 IonicContact CZ-OE2 3.24Å; R505-E677 IonicContact NE-OE1 3Å; R505-E677 IonicContact NH1-OE1 2.98Å; R505-E677 PolarHBondContact NH1-OE1 2.75Å; R505-E677 IonicContact NH1-OE2 2.7Å; R505-E677 PolarHBondContact NH1-OE2 2.99Å; R505-E677 IonicContact NH2-OE1 2.72Å; R505-E677 PolarHBondContact NH2-OE1 2.9Å; R505-E677 IonicContact NH2-OE2 2.75Å; R505-E677 PolarHBondContact NH2-OE2 2.84Å; D673-E677 WeakPolarHBondContact O-CG 3.43Å; D673-E677 PolarHBondContact O-N 3.45Å; E674-E677 PolarHBondContact O-N 3.39Å; E677-I680 PolarHBondContact O-N 2.93Å; E677-Q681 VanDerWaalsContact O-CG 3.32Å; E677-Q681 WeakPolarHBondContact O-CG 3.32Å; E677-Q681 PolarHBondContact O-N 3.45Å
678	K	83.7	Confident	77.2	Confident	110 Å²	110	71.1 Å²	71.1	48%	0.478	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-40.5	176.5	-173	-174.3	173.9	-157.6	0	112	E674 D675 C676 I680 Q681 E682	E674-K678 WeakPolarHBondContact O-CB 3.45Å; E674-K678 PolarHBondContact O-N 3.42Å; D675-K678 PolarHBondContact O-N 2.82Å; C676-K678 VanDerWaalsContact C-N 3.31Å; C676-K678 PolarHBondContact O-N 3.2Å; K678-I680 VanDerWaalsContact C-N 3.32Å; K678-I680 PolarHBondContact O-N 2.73Å; K678-Q681 PolarHBondContact O-N 2.81Å; K678-E682 WeakPolarHBondContact CE-OE1 3.27Å; K678-E682 IonicContact NZ-OE1 2.79Å; K678-E682 WeakPolarHBondContact O-CB 3.24Å; K678-E682 WeakPolarHBondContact O-CG 3.41Å; K678-E682 PolarHBondContact O-N 2.72Å
679	Y	82.9	Confident	78.4	Confident	17 Å²	17	66 Å²	66	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-40	175.2	-89.6	-139	0	0	0	111.8	P498 D675 C676 E682 L683 W716 K720 L724	P498-Y679 HydrophobicContact CB-CD1 4.15Å; P498-Y679 HydrophobicContact CG-CD1 4.18Å; D675-Y679 VanDerWaalsContact O-CD2 3.22Å; D675-Y679 WeakPolarHBondContact O-CD2 3.38Å; D675-Y679 PolarHBondContact O-N 3.43Å; C676-Y679 PolarHBondContact O-N 3.5Å; Y679-E682 PolarHBondContact O-N 3.37Å; Y679-L683 WeakPolarHBondContact O-CB 3.46Å; Y679-L683 WeakPolarHBondContact O-CG 3.4Å; Y679-L683 PolarHBondContact O-N 3.27Å; Y679-W716 AromaticContact CD1-CZ3 3.81Å; Y679-W716 HydrophobicContact CD1-CZ3 3.81Å; Y679-W716 HydrophobicContact CE1-CZ3 4.39Å; Y679-W716 HydrophobicContact CG-CH2 4.42Å; Y679-W716 HydrophobicContact CG-CZ3 4.06Å; Y679-K720 HydrophobicContact CD1-CB 4.46Å; Y679-K720 HydrophobicContact CE1-CB 3.54Å; Y679-K720 HydrophobicContact CE1-CD 4.5Å; Y679-K720 HydrophobicContact CE1-CG 4.36Å; Y679-L724 WeakPolarHBondContact OH-CD1 3.46Å
680	I	83	Confident	78.7	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-66.4	-43.8	175.8	-69.7	159.9	0	0	0	110.8	R501 I502 C676 E677 K678 E682 L683 E684 L689	R501-I680 HydrophobicContact CB-CD1 3.8Å; I502-I680 HydrophobicContact CG1-CD1 4.36Å; I502-I680 HydrophobicContact CG1-CG1 3.89Å; C676-I680 WeakPolarHBondContact O-CG1 3.27Å; C676-I680 PolarHBondContact O-N 3.46Å; E677-I680 PolarHBondContact O-N 2.93Å; K678-I680 VanDerWaalsContact C-N 3.32Å; K678-I680 PolarHBondContact O-N 2.73Å; I680-E682 PolarHBondContact O-N 3.36Å; I680-L683 PolarHBondContact O-N 3.22Å; I680-E684 WeakPolarHBondContact O-CG 3.21Å; I680-E684 PolarHBondContact O-N 3.1Å; I680-L689 HydrophobicContact CG2-CD2 3.97Å
681	Q	82.2	Confident	78.7	Confident	117 Å²	117	65.1 Å²	65.1	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-39.1	176.2	-69.6	167.7	31.8	0	0	112.6	E677 K678 H685	E677-Q681 VanDerWaalsContact O-CG 3.32Å; E677-Q681 WeakPolarHBondContact O-CG 3.32Å; E677-Q681 PolarHBondContact O-N 3.45Å; K678-Q681 PolarHBondContact O-N 2.81Å; Q681-H685 VanDerWaalsContact O-CB 3.29Å; Q681-H685 WeakPolarHBondContact O-CB 3.24Å; Q681-H685 PolarHBondContact O-N 3.3Å
682	E	84.5	Confident	77.8	Confident	53 Å²	53	72.9 Å²	72.9	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-42.3	172.5	-74.3	-178.6	-163.1	0	0	111.3	K678 Y679 I680 H685 E686 W716 K720	K678-E682 WeakPolarHBondContact CE-OE1 3.27Å; K678-E682 IonicContact NZ-OE1 2.79Å; K678-E682 WeakPolarHBondContact O-CB 3.24Å; K678-E682 WeakPolarHBondContact O-CG 3.41Å; K678-E682 PolarHBondContact O-N 2.72Å; Y679-E682 PolarHBondContact O-N 3.37Å; I680-E682 PolarHBondContact O-N 3.36Å; E682-H685 PolarHBondContact O-N 2.96Å; E682-E686 WeakPolarHBondContact O-CB 3.23Å; E682-E686 VanDerWaalsContact O-CG 3.27Å; E682-E686 WeakPolarHBondContact O-CG 3.24Å; E682-E686 PolarHBondContact O-N 3.28Å; E682-W716 HydrophobicContact CB-CH2 3.63Å; E682-W716 HydrophobicContact CB-CZ2 3.71Å; E682-W716 WeakPolarHBondContact OE2-CH2 3.29Å; E682-K720 IonicContact OE2-NZ 3.92Å; E682-K720 PolarHBondContact OE2-NZ 3.01Å
683	L	83.3	Confident	75.9	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-64.9	-39	176.3	-82	166.9	0	0	0	113.9	I502 Y679 I680 G687 L688 L689 W716 V717	I502-L683 HydrophobicContact CD1-CD1 3.67Å; Y679-L683 WeakPolarHBondContact O-CB 3.46Å; Y679-L683 WeakPolarHBondContact O-CG 3.4Å; Y679-L683 PolarHBondContact O-N 3.27Å; I680-L683 PolarHBondContact O-N 3.22Å; L683-G687 PolarHBondContact O-N 2.62Å; L683-L688 HydrophobicContact CD2-CB 4Å; L683-L688 HydrophobicContact CD2-CD1 4.26Å; L683-L688 PolarHBondContact O-N 3.34Å; L683-L689 HydrophobicContact CB-CB 3.76Å; L683-L689 HydrophobicContact CB-CD2 4.11Å; L683-L689 HydrophobicContact CD1-CD2 4.41Å; L683-L689 PolarHBondContact O-N 2.89Å; L683-W716 HydrophobicContact CD1-CE3 4.01Å; L683-W716 HydrophobicContact CD1-CZ3 4.13Å; L683-W716 HydrophobicContact CD2-CB 3.95Å; L683-W716 HydrophobicContact CD2-CD2 3.44Å; L683-W716 VanDerWaalsContact CD2-CD2 3.44Å; L683-W716 HydrophobicContact CD2-CE3 3.52Å; L683-W716 HydrophobicContact CD2-CG 3.67Å; L683-W716 HydrophobicContact CD2-CZ3 4.18Å; L683-W716 HydrophobicContact CG-CD2 3.93Å; L683-W716 HydrophobicContact CG-CE3 3.58Å; L683-W716 HydrophobicContact CG-CH2 4.15Å; L683-W716 HydrophobicContact CG-CZ2 4.41Å; L683-W716 HydrophobicContact CG-CZ3 3.72Å; L683-V717 HydrophobicContact CD1-CG2 3.86Å
684	E	82.9	Confident	74.1	Confident	93 Å²	93	74.4 Å²	74.4	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-67.9	-38.6	173.9	-72	-171.4	154.3	0	0	111.3	I680 G687 L689	I680-E684 WeakPolarHBondContact O-CG 3.21Å; I680-E684 PolarHBondContact O-N 3.1Å; E684-G687 PolarHBondContact O-N 3.22Å; E684-G687 VanDerWaalsContact O-N 3.16Å; E684-L689 HydrophobicContact CG-CB 4.46Å; E684-L689 HydrophobicContact CG-CD2 4.27Å; E684-L689 HydrophobicContact CG-CG 4.41Å
685	H	80.5	Confident	72	Confident	162 Å²	162	75.2 Å²	75.2	75%	0.75	39%	0.39	S	S	*	.	H	α-helix	trans	-69.4	-39.8	177.6	-178.6	-83.4	0	0	0	113	Q681 E682 G687	Q681-H685 VanDerWaalsContact O-CB 3.29Å; Q681-H685 WeakPolarHBondContact O-CB 3.24Å; Q681-H685 PolarHBondContact O-N 3.3Å; E682-H685 PolarHBondContact O-N 2.96Å; H685-G687 PolarHBondContact O-N 3.47Å
686	E	78.3	Confident	70.2	Confident	123 Å²	123	75.8 Å²	75.8	58%	0.575	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-4.9	171.6	-65.5	-70.4	130.4	0	0	112.6	E682 L688	E682-E686 WeakPolarHBondContact O-CB 3.23Å; E682-E686 VanDerWaalsContact O-CG 3.27Å; E682-E686 WeakPolarHBondContact O-CG 3.24Å; E682-E686 PolarHBondContact O-N 3.28Å; E686-L688 HydrophobicContact CB-CD1 3.88Å; E686-L688 HydrophobicContact CB-CG 3.98Å; E686-L688 PolarHBondContact O-N 2.96Å
687	G	74.4	Confident	68	Low	45 Å²	45	82 Å²	82	46%	0.464	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	12.3	-179.9	0	0	0	0	0	114.6	L683 E684 H685	L683-G687 PolarHBondContact O-N 2.62Å; E684-G687 PolarHBondContact O-N 3.22Å; E684-G687 VanDerWaalsContact O-N 3.16Å; H685-G687 PolarHBondContact O-N 3.47Å
688	L	73.1	Confident	66.1	Low	48 Å²	48	81.8 Å²	81.8	25%	0.251	46%	0.455	S	S	.	.			trans	-84.4	-24.8	-175.9	-64.2	171.6	0	0	0	112.7	L683 E686 K712 E713 W716	L683-L688 HydrophobicContact CD2-CB 4Å; L683-L688 HydrophobicContact CD2-CD1 4.26Å; L683-L688 PolarHBondContact O-N 3.34Å; E686-L688 HydrophobicContact CB-CD1 3.88Å; E686-L688 HydrophobicContact CB-CG 3.98Å; E686-L688 PolarHBondContact O-N 2.96Å; L688-K712 HydrophobicContact CD2-CB 4.33Å; L688-E713 WeakPolarHBondContact O-CG 3.17Å; L688-W716 HydrophobicContact CD1-CB 4.29Å; L688-W716 HydrophobicContact CD1-CG 3.95Å
689	L	77.2	Confident	64.2	Low	6 Å²	6	81.9 Å²	81.9	3%	0.031	46%	0.455	C	S	.	.			trans	-113.3	123.8	178.9	177.7	60.9	0	0	0	110.9	I502 I680 L683 E684 L691 E713	I502-L689 HydrophobicContact CD1-CD2 4.42Å; I502-L689 HydrophobicContact CG1-CD2 4.09Å; I502-L689 HydrophobicContact CG2-CD1 3.71Å; I502-L689 HydrophobicContact CG2-CD2 4.37Å; I680-L689 HydrophobicContact CG2-CD2 3.97Å; L683-L689 HydrophobicContact CB-CB 3.76Å; L683-L689 HydrophobicContact CB-CD2 4.11Å; L683-L689 HydrophobicContact CD1-CD2 4.41Å; L683-L689 PolarHBondContact O-N 2.89Å; E684-L689 HydrophobicContact CG-CB 4.46Å; E684-L689 HydrophobicContact CG-CD2 4.27Å; E684-L689 HydrophobicContact CG-CG 4.41Å; L689-L691 HydrophobicContact CD1-CD1 4.19Å; L689-L691 HydrophobicContact CD1-CD2 4Å; L689-L691 HydrophobicContact CD1-CG 3.77Å; L689-L691 HydrophobicContact CD2-CD1 4.01Å; L689-L691 HydrophobicContact CD2-CG 4.4Å; L689-L691 HydrophobicContact CG-CD1 4.16Å; L689-L691 HydrophobicContact CG-CG 4Å; L689-E713 HydrophobicContact CD1-CG 4.18Å; L689-E713 WeakPolarHBondContact CD1-OE1 3.47Å
690	Q	66.8	Low	62.4	Low	135 Å²	135	84.7 Å²	84.7	63%	0.631	47%	0.471	S	S	*	.			trans	-123.5	112.2	172.5	-58.5	-173.8	29.6	0	0	109.1
691	L	64.7	Low	60.4	Low	36 Å²	36	94.5 Å²	94.5	19%	0.188	51%	0.508	C	S	.	.			trans	-113.3	0.7	178.3	-67.8	173.5	0	0	0	113.3	I502 R505 D506 L689 A693	I502-L691 HydrophobicContact CG2-CD2 4.46Å; R505-L691 HydrophobicContact CB-CD1 3.93Å; D506-L691 HydrophobicContact CB-CD2 4.48Å; L689-L691 HydrophobicContact CD1-CD1 4.19Å; L689-L691 HydrophobicContact CD1-CD2 4Å; L689-L691 HydrophobicContact CD1-CG 3.77Å; L689-L691 HydrophobicContact CD2-CD1 4.01Å; L689-L691 HydrophobicContact CD2-CG 4.4Å; L689-L691 HydrophobicContact CG-CD1 4.16Å; L689-L691 HydrophobicContact CG-CG 4Å; L691-A693 PolarHBondContact O-N 2.7Å
692	K	54	Low	58.9	Low	192 Å²	192	99.7 Å²	99.7	84%	0.835	52%	0.523	S	S	*	.	S	Bend	trans	-81.3	112.1	180	-71.4	174.6	-177.9	165.6	0	109.5	S694	K692-S694 PolarHBondContact O-N 2.89Å
693	A	39.7	Very low	57.4	Low	78 Å²	78	101.2 Å²	101.2	65%	0.645	53%	0.533	S	S	*	.			trans	-55	108	-175.7	0	0	0	0	0	112.9	L691 N695	L691-A693 PolarHBondContact O-N 2.7Å; A693-N695 PolarHBondContact O-N 3.12Å
694	S	39.6	Very low	56.3	Low	82 Å²	82	103.5 Å²	103.5	57%	0.573	55%	0.549	S	S	*	.			trans	-75.2	111.2	159	49.7	0	0	0	0	108.2	K692 S696	K692-S694 PolarHBondContact O-N 2.89Å; S694-S696 PolarHBondContact O-N 3.17Å; S694-S696 PolarHBondContact O-OG 3.23Å
695	N	36.6	Very low	55.8	Low	158 Å²	158	103.1 Å²	103.1	85%	0.845	56%	0.556	S	S	*	*			trans	-71.8	41.7	-179	-70	-12.3	0	0	0	113.5	A693 S697	A693-N695 PolarHBondContact O-N 3.12Å; N695-S697 PolarHBondContact O-N 3.18Å
696	S	42.1	Very low	55.7	Low	80 Å²	80	98.8 Å²	98.8	56%	0.559	53%	0.534	S	S	*	.			trans	-80.6	90.7	172.1	52.7	0	0	0	0	109.6	S694 G698	S694-S696 PolarHBondContact O-N 3.17Å; S694-S696 PolarHBondContact O-OG 3.23Å; S696-G698 PolarHBondContact O-N 2.61Å
697	S	36.5	Very low	55.9	Low	132 Å²	132	94.6 Å²	94.6	92%	0.923	52%	0.517	S	S	*	.			trans	-68.2	59	168.3	175.8	0	0	0	0	111.3	N695	N695-S697 PolarHBondContact O-N 3.18Å
698	G	41.6	Very low	56.4	Low	49 Å²	49	96.2 Å²	96.2	51%	0.505	52%	0.515	S	S	.	.			trans	-99.8	129.3	178.7	0	0	0	0	0	110.9	S696 L700	S696-G698 PolarHBondContact O-N 2.61Å; G698-L700 PolarHBondContact O-N 2.89Å
699	K	44.6	Very low	57	Low	111 Å²	111	95.5 Å²	95.5	48%	0.483	51%	0.51	S	S	.	.			trans	-58	94	178.7	-170.6	179.3	-176.1	177.7	0	110	E591 R593 E594 R701	E591-K699 IonicContact OE1-NZ 3.73Å; E591-K699 PolarHBondContact OE1-NZ 2.87Å; E591-K699 IonicContact OE2-NZ 2.72Å; E591-K699 PolarHBondContact OE2-NZ 3.31Å; R593-K699 VanDerWaalsContact NE-NZ 3.13Å; E594-K699 WeakPolarHBondContact OE1-CE 3.47Å; E594-K699 IonicContact OE1-NZ 3.78Å; E594-K699 PolarHBondContact OE1-NZ 3.47Å; K699-R701 PolarHBondContact O-N 3.23Å
700	L	43.9	Very low	57.7	Low	77 Å²	77	95.5 Å²	95.5	40%	0.403	51%	0.51	S	S	.	.			trans	-55.2	100.4	-167.7	-82.5	160.6	0	0	0	113.1	L512 G698	L512-L700 HydrophobicContact CD1-CD1 4.01Å; L512-L700 HydrophobicContact CD2-CD1 4.02Å; L512-L700 HydrophobicContact CD2-CD2 4.06Å; L512-L700 HydrophobicContact CG-CD1 3.68Å; G698-L700 PolarHBondContact O-N 2.89Å
701	R	42.7	Very low	58.8	Low	207 Å²	207	90.9 Å²	90.9	78%	0.781	49%	0.491	S	S	*	.			trans	-69.4	158.3	150.3	-74.8	-173.6	173.2	-174.5	-0.4	108.5	K699 D703	K699-R701 PolarHBondContact O-N 3.23Å; R701-D703 WeakPolarHBondContact CB-OD1 3.13Å; R701-D703 PolarHBondContact O-N 3.37Å
702	R	50.4	Low	59.9	Low	225 Å²	225	94.4 Å²	94.4	85%	0.849	51%	0.505	S	S	*	.			trans	-82.6	64.5	-174.7	-166.7	-173.2	-65.6	147.2	-1.3	109.7	S704	R702-S704 PolarHBondContact O-N 3.23Å
703	D	52.1	Low	61.6	Low	86 Å²	86	85.3 Å²	85.3	46%	0.46	47%	0.465	S	S	.	.			trans	-69.9	127.8	-169.4	-60.1	-13	0	0	0	110.4	R701 S705 Y706	R701-D703 WeakPolarHBondContact CB-OD1 3.13Å; R701-D703 PolarHBondContact O-N 3.37Å; D703-S705 PolarHBondContact O-N 3.43Å; D703-S705 VanDerWaalsContact O-N 3.08Å; D703-Y706 PolarHBondContact O-N 2.9Å
704	S	61.5	Low	64.1	Low	49 Å²	49	81.6 Å²	81.6	34%	0.343	44%	0.435	S	S	.	.	H	α-helix	trans	-57.1	-30.2	-169.6	50.6	0	0	0	0	113.8	R702 Y706 T707 D708	R702-S704 PolarHBondContact O-N 3.23Å; S704-Y706 VanDerWaalsContact C-N 3.32Å; S704-Y706 PolarHBondContact O-N 3.05Å; S704-T707 WeakPolarHBondContact CA-OG1 3.43Å; S704-T707 PolarHBondContact O-N 3.14Å; S704-T707 PolarHBondContact O-OG1 3.27Å; S704-D708 WeakPolarHBondContact O-CB 3.38Å; S704-D708 PolarHBondContact O-N 3.22Å
705	S	72.4	Confident	66.5	Low	84 Å²	84	81 Å²	81	59%	0.587	43%	0.425	S	S	*	.	H	α-helix	trans	-51.9	-45.3	178.5	-169.7	0	0	0	0	113.2	D703 D708 Q709	D703-S705 PolarHBondContact O-N 3.43Å; D703-S705 VanDerWaalsContact O-N 3.08Å; S705-D708 PolarHBondContact O-N 2.96Å; S705-Q709 PolarHBondContact O-N 3.48Å
706	Y	76.8	Confident	69.1	Low	71 Å²	71	75.4 Å²	75.4	28%	0.278	39%	0.392	S	S	.	.	H	α-helix	trans	-71.3	-41.7	179.8	-71.6	-69.7	0	0	0	112	D703 S704 D708 Q709 F710	D703-Y706 PolarHBondContact O-N 2.9Å; S704-Y706 VanDerWaalsContact C-N 3.32Å; S704-Y706 PolarHBondContact O-N 3.05Å; Y706-D708 VanDerWaalsContact C-N 3.28Å; Y706-D708 PolarHBondContact O-N 3.32Å; Y706-Q709 PolarHBondContact O-N 3.3Å; Y706-F710 HydrophobicContact CD1-CZ 4.18Å; Y706-F710 WeakPolarHBondContact O-CD1 3.22Å; Y706-F710 VanDerWaalsContact O-CD2 3.29Å; Y706-F710 WeakPolarHBondContact O-CD2 3.44Å; Y706-F710 WeakPolarHBondContact O-CG 3.34Å; Y706-F710 PolarHBondContact O-N 2.86Å
707	T	83.3	Confident	71.3	Confident	36 Å²	36	71.6 Å²	71.6	22%	0.221	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-32.7	176.7	46.9	0	0	0	0	112.5	V519 S704 T711	V519-T707 HydrophobicContact CG2-CG2 4.24Å; S704-T707 WeakPolarHBondContact CA-OG1 3.43Å; S704-T707 PolarHBondContact O-N 3.14Å; S704-T707 PolarHBondContact O-OG1 3.27Å; T707-T711 WeakPolarHBondContact O-CB 3.37Å; T707-T711 PolarHBondContact O-N 3.31Å; T707-T711 PolarHBondContact O-OG1 3.18Å
708	D	84.7	Confident	73.9	Confident	78 Å²	78	65.6 Å²	65.6	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-72.2	-36.3	174	-80.8	8.6	0	0	0	112.1	S704 S705 Y706 K712	S704-D708 WeakPolarHBondContact O-CB 3.38Å; S704-D708 PolarHBondContact O-N 3.22Å; S705-D708 PolarHBondContact O-N 2.96Å; Y706-D708 VanDerWaalsContact C-N 3.28Å; Y706-D708 PolarHBondContact O-N 3.32Å; D708-K712 VanDerWaalsContact O-CD 3.3Å; D708-K712 WeakPolarHBondContact O-CD 3.2Å; D708-K712 VanDerWaalsContact O-CG 3.24Å; D708-K712 WeakPolarHBondContact O-CG 3.31Å; D708-K712 PolarHBondContact O-N 3.13Å; D708-K712 VanDerWaalsContact O-N 3.12Å
709	Q	86.4	Confident	76.2	Confident	34 Å²	34	67.7 Å²	67.7	16%	0.159	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-53.9	172.5	-172.1	-171.8	-45.8	0	0	110.7	S705 Y706 T711 K712 E713	S705-Q709 PolarHBondContact O-N 3.48Å; Y706-Q709 PolarHBondContact O-N 3.3Å; Q709-T711 PolarHBondContact O-N 3.09Å; Q709-K712 PolarHBondContact O-N 2.73Å; Q709-E713 HydrophobicContact CG-CG 4.5Å; Q709-E713 PolarHBondContact NE2-OE1 2.91Å; Q709-E713 WeakPolarHBondContact O-CG 3.33Å; Q709-E713 PolarHBondContact O-N 3.05Å
710	F	91	Very high	78.2	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.022	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-30.6	179.6	-54.2	-23	0	0	0	112.1	R516 V519 Y520 Y706 A714	R516-F710 HydrophobicContact CB-CD1 4.24Å; R516-F710 HydrophobicContact CB-CD2 3.77Å; R516-F710 HydrophobicContact CB-CE1 4.33Å; R516-F710 HydrophobicContact CB-CE2 3.85Å; R516-F710 HydrophobicContact CB-CG 3.98Å; R516-F710 HydrophobicContact CB-CZ 4.14Å; R516-F710 HydrophobicContact CG-CB 4.33Å; R516-F710 HydrophobicContact CG-CD1 3.97Å; R516-F710 HydrophobicContact CG-CD2 4.25Å; R516-F710 HydrophobicContact CG-CE1 4.37Å; R516-F710 HydrophobicContact CG-CG 3.92Å; R516-F710 VanDerWaalsContact CZ-CE1 3.46Å; V519-F710 HydrophobicContact CB-CB 4.05Å; V519-F710 HydrophobicContact CG1-CB 3.86Å; V519-F710 HydrophobicContact CG2-CB 4.36Å; V519-F710 HydrophobicContact CG2-CD2 4.48Å; Y520-F710 HydrophobicContact CE1-CB 4.19Å; Y520-F710 WeakPolarHBondContact CE1-O 3.24Å; Y706-F710 HydrophobicContact CD1-CZ 4.18Å; Y706-F710 WeakPolarHBondContact O-CD1 3.22Å; Y706-F710 VanDerWaalsContact O-CD2 3.29Å; Y706-F710 WeakPolarHBondContact O-CD2 3.44Å; Y706-F710 WeakPolarHBondContact O-CG 3.34Å; Y706-F710 PolarHBondContact O-N 2.86Å; F710-A714 WeakPolarHBondContact O-CB 3.43Å; F710-A714 PolarHBondContact O-N 3.29Å; F710-A714 VanDerWaalsContact O-N 3.09Å
711	T	90.6	Very high	80.2	Confident	39 Å²	39	62.9 Å²	62.9	24%	0.239	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-47.3	170.8	-76.3	0	0	0	0	112	T707 Q709 A714 D715	T707-T711 WeakPolarHBondContact O-CB 3.37Å; T707-T711 PolarHBondContact O-N 3.31Å; T707-T711 PolarHBondContact O-OG1 3.18Å; Q709-T711 PolarHBondContact O-N 3.09Å; T711-A714 PolarHBondContact O-N 3.04Å; T711-D715 WeakPolarHBondContact O-CB 3.24Å; T711-D715 VanDerWaalsContact O-CG 3.3Å; T711-D715 PolarHBondContact O-N 3.01Å
712	K	88.3	Confident	82.4	Confident	110 Å²	110	57.3 Å²	57.3	48%	0.478	28%	0.278	S	S	.	.	H	α-helix	trans	-67.8	-40.7	178.8	-68.4	158.4	-168.7	162.6	0	112.3	L688 D708 Q709 A714 D715 W716	L688-K712 HydrophobicContact CD2-CB 4.33Å; D708-K712 VanDerWaalsContact O-CD 3.3Å; D708-K712 WeakPolarHBondContact O-CD 3.2Å; D708-K712 VanDerWaalsContact O-CG 3.24Å; D708-K712 WeakPolarHBondContact O-CG 3.31Å; D708-K712 PolarHBondContact O-N 3.13Å; D708-K712 VanDerWaalsContact O-N 3.12Å; Q709-K712 PolarHBondContact O-N 2.73Å; K712-A714 VanDerWaalsContact C-N 3.34Å; K712-A714 PolarHBondContact O-N 3.45Å; K712-D715 PolarHBondContact O-N 3.5Å; K712-W716 VanDerWaalsContact O-CB 3.3Å; K712-W716 WeakPolarHBondContact O-CB 3.47Å; K712-W716 PolarHBondContact O-N 3.03Å
713	E	90	Very high	84.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-54.6	-50.4	172.4	-69.1	168.7	-177.3	0	0	110.6	R516 Y520 L688 L689 Q709 V717	R516-E713 IonicContact CZ-OE1 3.55Å; R516-E713 IonicContact CZ-OE2 3.17Å; R516-E713 IonicContact NE-OE1 3.34Å; R516-E713 IonicContact NE-OE2 3.93Å; R516-E713 PolarHBondContact NE-OE2 2.98Å; R516-E713 IonicContact NH2-OE1 3.47Å; R516-E713 PolarHBondContact NH2-OE1 3.34Å; R516-E713 IonicContact NH2-OE2 3.47Å; R516-E713 PolarHBondContact NH2-OE2 3.3Å; Y520-E713 HydrophobicContact CE1-CB 4.12Å; Y520-E713 PolarHBondContact OH-OE2 3.32Å; L688-E713 WeakPolarHBondContact O-CG 3.17Å; L689-E713 HydrophobicContact CD1-CG 4.18Å; L689-E713 WeakPolarHBondContact CD1-OE1 3.47Å; Q709-E713 HydrophobicContact CG-CG 4.5Å; Q709-E713 PolarHBondContact NE2-OE1 2.91Å; Q709-E713 WeakPolarHBondContact O-CG 3.33Å; Q709-E713 PolarHBondContact O-N 3.05Å; E713-V717 WeakPolarHBondContact O-CG2 3.48Å; E713-V717 PolarHBondContact O-N 3.29Å
714	A	90.9	Very high	85.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-48.3	179.2	0	0	0	0	0	113	Y520 K523 F710 T711 K712 W716 V717 L718	Y520-A714 HydrophobicContact CD1-CB 3.86Å; Y520-A714 HydrophobicContact CE1-CB 4.24Å; K523-A714 HydrophobicContact CB-CB 3.91Å; K523-A714 HydrophobicContact CG-CB 3.87Å; F710-A714 WeakPolarHBondContact O-CB 3.43Å; F710-A714 PolarHBondContact O-N 3.29Å; F710-A714 VanDerWaalsContact O-N 3.09Å; T711-A714 PolarHBondContact O-N 3.04Å; K712-A714 VanDerWaalsContact C-N 3.34Å; K712-A714 PolarHBondContact O-N 3.45Å; A714-W716 VanDerWaalsContact C-N 3.33Å; A714-W716 PolarHBondContact O-N 3.46Å; A714-V717 PolarHBondContact O-N 2.95Å; A714-L718 WeakPolarHBondContact O-CB 3.43Å; A714-L718 VanDerWaalsContact O-CG 3.26Å; A714-L718 WeakPolarHBondContact O-CG 3.13Å; A714-L718 PolarHBondContact O-N 2.83Å
715	D	91.1	Very high	86.7	Confident	70 Å²	70	49.9 Å²	49.9	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-39.9	-178.9	-75.6	-26.5	0	0	0	112.1	K523 T711 K712 L718 E719	K523-D715 WeakPolarHBondContact CD-OD1 3.39Å; K523-D715 VanDerWaalsContact CE-OD1 3.27Å; K523-D715 WeakPolarHBondContact CE-OD1 3.32Å; K523-D715 IonicContact NZ-OD1 3.79Å; K523-D715 PolarHBondContact NZ-OD1 2.92Å; K523-D715 IonicContact NZ-OD2 3.89Å; K523-D715 PolarHBondContact NZ-OD2 3.34Å; T711-D715 WeakPolarHBondContact O-CB 3.24Å; T711-D715 VanDerWaalsContact O-CG 3.3Å; T711-D715 PolarHBondContact O-N 3.01Å; K712-D715 PolarHBondContact O-N 3.5Å; D715-L718 PolarHBondContact O-N 3.3Å; D715-E719 WeakPolarHBondContact O-CB 3.22Å; D715-E719 PolarHBondContact O-N 3.18Å
716	W	90.7	Very high	87.3	Confident	40 Å²	40	49 Å²	49	15%	0.152	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-46.8	177	-174.5	104	0	0	0	111.5	Y679 E682 L683 L688 K712 A714 K720	Y679-W716 AromaticContact CD1-CZ3 3.81Å; Y679-W716 HydrophobicContact CD1-CZ3 3.81Å; Y679-W716 HydrophobicContact CE1-CZ3 4.39Å; Y679-W716 HydrophobicContact CG-CH2 4.42Å; Y679-W716 HydrophobicContact CG-CZ3 4.06Å; E682-W716 HydrophobicContact CB-CH2 3.63Å; E682-W716 HydrophobicContact CB-CZ2 3.71Å; E682-W716 WeakPolarHBondContact OE2-CH2 3.29Å; L683-W716 HydrophobicContact CD1-CE3 4.01Å; L683-W716 HydrophobicContact CD1-CZ3 4.13Å; L683-W716 HydrophobicContact CD2-CB 3.95Å; L683-W716 HydrophobicContact CD2-CD2 3.44Å; L683-W716 VanDerWaalsContact CD2-CD2 3.44Å; L683-W716 HydrophobicContact CD2-CE3 3.52Å; L683-W716 HydrophobicContact CD2-CG 3.67Å; L683-W716 HydrophobicContact CD2-CZ3 4.18Å; L683-W716 HydrophobicContact CG-CD2 3.93Å; L683-W716 HydrophobicContact CG-CE3 3.58Å; L683-W716 HydrophobicContact CG-CH2 4.15Å; L683-W716 HydrophobicContact CG-CZ2 4.41Å; L683-W716 HydrophobicContact CG-CZ3 3.72Å; L688-W716 HydrophobicContact CD1-CB 4.29Å; L688-W716 HydrophobicContact CD1-CG 3.95Å; K712-W716 VanDerWaalsContact O-CB 3.3Å; K712-W716 WeakPolarHBondContact O-CB 3.47Å; K712-W716 PolarHBondContact O-N 3.03Å; A714-W716 VanDerWaalsContact C-N 3.33Å; A714-W716 PolarHBondContact O-N 3.46Å; W716-K720 HydrophobicContact CD2-CG 4.05Å; W716-K720 HydrophobicContact CE3-CD 4.49Å; W716-K720 HydrophobicContact CE3-CG 3.83Å; W716-K720 HydrophobicContact CH2-CD 3.82Å; W716-K720 HydrophobicContact CH2-CG 4.07Å; W716-K720 HydrophobicContact CZ2-CD 4.03Å; W716-K720 HydrophobicContact CZ2-CG 4.31Å; W716-K720 VanDerWaalsContact CZ2-NZ 3.32Å; W716-K720 HydrophobicContact CZ3-CB 4.49Å; W716-K720 HydrophobicContact CZ3-CD 4.07Å; W716-K720 HydrophobicContact CZ3-CG 3.83Å; W716-K720 WeakPolarHBondContact O-CB 3.27Å; W716-K720 WeakPolarHBondContact O-CG 3.15Å; W716-K720 PolarHBondContact O-N 2.91Å
717	V	89.1	Confident	87.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-44.6	178.6	176	0	0	0	0	110.7	P498 L499 I502 L683 E713 A714 E719 K720 L721	P498-V717 HydrophobicContact CB-CG1 4Å; P498-V717 HydrophobicContact CG-CG1 4.44Å; L499-V717 HydrophobicContact CD2-CB 3.79Å; L499-V717 HydrophobicContact CD2-CG1 4.03Å; L499-V717 HydrophobicContact CD2-CG2 3.85Å; L499-V717 HydrophobicContact CG-CB 4.22Å; L499-V717 HydrophobicContact CG-CG1 3.9Å; I502-V717 HydrophobicContact CD1-CG2 4.42Å; L683-V717 HydrophobicContact CD1-CG2 3.86Å; E713-V717 WeakPolarHBondContact O-CG2 3.48Å; E713-V717 PolarHBondContact O-N 3.29Å; A714-V717 PolarHBondContact O-N 2.95Å; V717-E719 PolarHBondContact O-N 3.4Å; V717-K720 WeakPolarHBondContact O-CB 3.08Å; V717-K720 PolarHBondContact O-N 2.97Å; V717-K720 VanDerWaalsContact O-N 3.17Å; V717-L721 HydrophobicContact CG1-CD1 3.98Å; V717-L721 HydrophobicContact CG1-CG 4.14Å; V717-L721 VanDerWaalsContact O-CG 3.28Å; V717-L721 WeakPolarHBondContact O-CG 3.41Å; V717-L721 PolarHBondContact O-N 3.42Å
718	L	90.2	Very high	87.6	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-41.2	-179.8	-69.5	170.2	0	0	0	112.2	Y496 K523 I524 F527 A714 D715 L721 K722	Y496-L718 HydrophobicContact CD1-CD2 3.95Å; Y496-L718 HydrophobicContact CE1-CD2 3.5Å; Y496-L718 VanDerWaalsContact CE1-CD2 3.5Å; K523-L718 HydrophobicContact CB-CD1 3.78Å; I524-L718 HydrophobicContact CG1-CD2 4.33Å; F527-L718 HydrophobicContact CB-CD1 4.23Å; F527-L718 HydrophobicContact CB-CD2 4.45Å; F527-L718 HydrophobicContact CD1-CD2 4.01Å; F527-L718 HydrophobicContact CD2-CB 4.18Å; F527-L718 HydrophobicContact CD2-CD2 4.49Å; F527-L718 HydrophobicContact CE1-CD2 4.35Å; F527-L718 HydrophobicContact CE2-CB 4.28Å; F527-L718 HydrophobicContact CG-CD1 4.49Å; F527-L718 HydrophobicContact CG-CD2 4.09Å; A714-L718 WeakPolarHBondContact O-CB 3.43Å; A714-L718 VanDerWaalsContact O-CG 3.26Å; A714-L718 WeakPolarHBondContact O-CG 3.13Å; A714-L718 PolarHBondContact O-N 2.83Å; D715-L718 PolarHBondContact O-N 3.3Å; L718-L721 HydrophobicContact CD2-CD1 4.48Å; L718-L721 PolarHBondContact O-N 3.12Å; L718-K722 WeakPolarHBondContact O-CB 3.48Å; L718-K722 PolarHBondContact O-N 3.2Å
719	E	89.5	Confident	87.4	Confident	93 Å²	93	53.4 Å²	53.4	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-35.6	174.5	-165.9	65.2	-157.5	0	0	111.8	D715 V717 K722 T723	D715-E719 WeakPolarHBondContact O-CB 3.22Å; D715-E719 PolarHBondContact O-N 3.18Å; V717-E719 PolarHBondContact O-N 3.4Å; E719-K722 PolarHBondContact O-N 3.09Å; E719-K722 WeakPolarHBondContact OE1-CD 3.27Å; E719-K722 IonicContact OE1-NZ 3.09Å; E719-K722 PolarHBondContact OE1-NZ 2.89Å; E719-K722 WeakPolarHBondContact OE2-CD 3.47Å; E719-K722 IonicContact OE2-NZ 2.62Å; E719-K722 PolarHBondContact OE2-NZ 3.27Å; E719-T723 WeakPolarHBondContact O-CG2 3.37Å; E719-T723 PolarHBondContact O-N 3.47Å; E719-T723 PolarHBondContact O-OG1 3.48Å
720	K	87.2	Confident	87.4	Confident	61 Å²	61	56.7 Å²	56.7	27%	0.265	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-44.1	172.6	-72.6	-104	178.3	160.2	0	112.2	Y679 E682 W716 V717 T723 L724	Y679-K720 HydrophobicContact CD1-CB 4.46Å; Y679-K720 HydrophobicContact CE1-CB 3.54Å; Y679-K720 HydrophobicContact CE1-CD 4.5Å; Y679-K720 HydrophobicContact CE1-CG 4.36Å; E682-K720 IonicContact OE2-NZ 3.92Å; E682-K720 PolarHBondContact OE2-NZ 3.01Å; W716-K720 HydrophobicContact CD2-CG 4.05Å; W716-K720 HydrophobicContact CE3-CD 4.49Å; W716-K720 HydrophobicContact CE3-CG 3.83Å; W716-K720 HydrophobicContact CH2-CD 3.82Å; W716-K720 HydrophobicContact CH2-CG 4.07Å; W716-K720 HydrophobicContact CZ2-CD 4.03Å; W716-K720 HydrophobicContact CZ2-CG 4.31Å; W716-K720 VanDerWaalsContact CZ2-NZ 3.32Å; W716-K720 HydrophobicContact CZ3-CB 4.49Å; W716-K720 HydrophobicContact CZ3-CD 4.07Å; W716-K720 HydrophobicContact CZ3-CG 3.83Å; W716-K720 WeakPolarHBondContact O-CB 3.27Å; W716-K720 WeakPolarHBondContact O-CG 3.15Å; W716-K720 PolarHBondContact O-N 2.91Å; V717-K720 WeakPolarHBondContact O-CB 3.08Å; V717-K720 PolarHBondContact O-N 2.97Å; V717-K720 VanDerWaalsContact O-N 3.17Å; K720-T723 WeakPolarHBondContact CA-OG1 3.43Å; K720-T723 PolarHBondContact O-N 3Å; K720-T723 PolarHBondContact O-OG1 3.04Å; K720-L724 PolarHBondContact O-N 3.44Å
721	L	86.6	Confident	87.1	Confident	26 Å²	26	60.7 Å²	60.7	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-45.6	174.5	-68	175.7	0	0	0	111.5	Y496 I671 V717 L718 T723 L724 K725	Y496-L721 HydrophobicContact CD1-CD1 3.52Å; Y496-L721 HydrophobicContact CE1-CD1 3.71Å; I671-L721 HydrophobicContact CD1-CD2 3.13Å; V717-L721 HydrophobicContact CG1-CD1 3.98Å; V717-L721 HydrophobicContact CG1-CG 4.14Å; V717-L721 VanDerWaalsContact O-CG 3.28Å; V717-L721 WeakPolarHBondContact O-CG 3.41Å; V717-L721 PolarHBondContact O-N 3.42Å; L718-L721 HydrophobicContact CD2-CD1 4.48Å; L718-L721 PolarHBondContact O-N 3.12Å; L721-T723 PolarHBondContact O-N 3.34Å; L721-L724 PolarHBondContact O-N 3.47Å; L721-K725 PolarHBondContact O-N 3.43Å
722	K	87.2	Confident	86.8	Confident	89 Å²	89	62.4 Å²	62.4	39%	0.387	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-41.4	176.3	-178.7	-158.1	-178	-165.3	0	112.8	F527 L718 E719 K725 S726	F527-K722 HydrophobicContact CE2-CB 4.08Å; F527-K722 HydrophobicContact CE2-CD 4.37Å; F527-K722 HydrophobicContact CE2-CG 4.36Å; F527-K722 HydrophobicContact CZ-CB 3.98Å; F527-K722 HydrophobicContact CZ-CG 4.47Å; L718-K722 WeakPolarHBondContact O-CB 3.48Å; L718-K722 PolarHBondContact O-N 3.2Å; E719-K722 PolarHBondContact O-N 3.09Å; E719-K722 WeakPolarHBondContact OE1-CD 3.27Å; E719-K722 IonicContact OE1-NZ 3.09Å; E719-K722 PolarHBondContact OE1-NZ 2.89Å; E719-K722 WeakPolarHBondContact OE2-CD 3.47Å; E719-K722 IonicContact OE2-NZ 2.62Å; E719-K722 PolarHBondContact OE2-NZ 3.27Å; K722-K725 PolarHBondContact O-N 3.25Å; K722-S726 WeakPolarHBondContact O-CB 3.45Å; K722-S726 PolarHBondContact O-N 3.32Å; K722-S726 PolarHBondContact O-OG 2.89Å
723	T	87	Confident	86.7	Confident	61 Å²	61	63.8 Å²	63.8	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-71.6	-33	176.4	53.5	0	0	0	0	112.7	E719 K720 L721 R727	E719-T723 WeakPolarHBondContact O-CG2 3.37Å; E719-T723 PolarHBondContact O-N 3.47Å; E719-T723 PolarHBondContact O-OG1 3.48Å; K720-T723 WeakPolarHBondContact CA-OG1 3.43Å; K720-T723 PolarHBondContact O-N 3Å; K720-T723 PolarHBondContact O-OG1 3.04Å; L721-T723 PolarHBondContact O-N 3.34Å; T723-R727 WeakPolarHBondContact O-CB 3.29Å; T723-R727 PolarHBondContact O-N 3.07Å
724	L	84.4	Confident	86.7	Confident	43 Å²	43	68.5 Å²	68.5	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-50.4	167.8	-73.6	-174.3	0	0	0	111.5	V669 I671 Y679 K720 L721 S726 R727 H728	V669-L724 HydrophobicContact CG1-CB 4.49Å; V669-L724 HydrophobicContact CG1-CD1 4.35Å; I671-L724 HydrophobicContact CD1-CD1 4.1Å; I671-L724 HydrophobicContact CG1-CD1 4.26Å; Y679-L724 WeakPolarHBondContact OH-CD1 3.46Å; K720-L724 PolarHBondContact O-N 3.44Å; L721-L724 PolarHBondContact O-N 3.47Å; L724-S726 VanDerWaalsContact C-N 3.34Å; L724-S726 PolarHBondContact O-N 2.79Å; L724-R727 WeakPolarHBondContact O-CB 3.44Å; L724-R727 PolarHBondContact O-N 3.35Å; L724-R727 VanDerWaalsContact O-N 3.12Å; L724-H728 PolarHBondContact O-N 3.33Å
725	K	83.8	Confident	86.5	Confident	101 Å²	101	72.5 Å²	72.5	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-44.7	177.9	179.5	166.1	177.1	163.6	0	112	V666 L721 K722 R727 H728 E729	V666-K725 HydrophobicContact CG1-CD 4.46Å; L721-K725 PolarHBondContact O-N 3.43Å; K722-K725 PolarHBondContact O-N 3.25Å; K725-R727 VanDerWaalsContact C-N 3.31Å; K725-R727 PolarHBondContact O-N 3.45Å; K725-H728 PolarHBondContact O-N 3.09Å; K725-E729 WeakPolarHBondContact O-CB 3.41Å; K725-E729 PolarHBondContact O-N 3.23Å
726	S	85	Confident	86.3	Confident	64 Å²	64	71.8 Å²	71.8	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-35.6	177	-54.1	0	0	0	0	112.3	K722 L724 E730	K722-S726 WeakPolarHBondContact O-CB 3.45Å; K722-S726 PolarHBondContact O-N 3.32Å; K722-S726 PolarHBondContact O-OG 2.89Å; L724-S726 VanDerWaalsContact C-N 3.34Å; L724-S726 PolarHBondContact O-N 2.79Å; S726-E730 WeakPolarHBondContact O-CB 3.41Å; S726-E730 PolarHBondContact O-N 2.97Å
727	R	85.2	Confident	86.2	Confident	147 Å²	147	72.2 Å²	72.2	56%	0.555	36%	0.363	S	S	*	.	H	α-helix	trans	-69.5	-38.9	174.2	-172	-174.4	-61.8	142.4	4.1	111.8	T723 L724 K725 E730 N731	T723-R727 WeakPolarHBondContact O-CB 3.29Å; T723-R727 PolarHBondContact O-N 3.07Å; L724-R727 WeakPolarHBondContact O-CB 3.44Å; L724-R727 PolarHBondContact O-N 3.35Å; L724-R727 VanDerWaalsContact O-N 3.12Å; K725-R727 VanDerWaalsContact C-N 3.31Å; K725-R727 PolarHBondContact O-N 3.45Å; R727-E730 PolarHBondContact O-N 2.9Å; R727-N731 WeakPolarHBondContact O-CB 3.3Å; R727-N731 PolarHBondContact O-N 3.47Å; R727-N731 PolarHBondContact O-ND2 2.96Å; R727-N731 PolarHBondContact O-OD1 2.98Å
728	H	80.6	Confident	86.2	Confident	55 Å²	55	76.1 Å²	76.1	26%	0.255	38%	0.384	S	S	.	.	H	α-helix	trans	-66.3	-43.4	175.8	-163.8	52	0	0	0	111.5	E667 V669 L724 K725 E730 N731 L732	E667-H728 IonicContact OE2-CD2 2.82Å; E667-H728 IonicContact OE2-CE1 3.9Å; E667-H728 PolarHBondContact OE2-CE1 2.95Å; E667-H728 IonicContact OE2-NE2 3.97Å; E667-H728 PolarHBondContact OE2-NE2 2.99Å; V669-H728 HydrophobicContact CG2-CB 4.1Å; L724-H728 PolarHBondContact O-N 3.33Å; K725-H728 PolarHBondContact O-N 3.09Å; H728-E730 VanDerWaalsContact C-N 3.34Å; H728-E730 PolarHBondContact O-N 3.39Å; H728-N731 PolarHBondContact O-N 2.89Å; H728-L732 WeakPolarHBondContact O-CB 3.48Å; H728-L732 WeakPolarHBondContact O-CG 3.27Å; H728-L732 PolarHBondContact O-N 3.13Å
729	E	80.4	Confident	86.1	Confident	77 Å²	77	80.2 Å²	80.2	36%	0.36	41%	0.409	S	S	.	.	H	α-helix	trans	-60.1	-41.5	174.3	-162.6	-166.8	140.6	0	0	112	K725 L732 R733	K725-E729 WeakPolarHBondContact O-CB 3.41Å; K725-E729 PolarHBondContact O-N 3.23Å; E729-L732 WeakPolarHBondContact O-CB 3.44Å; E729-L732 PolarHBondContact O-N 3.38Å; E729-R733 WeakPolarHBondContact O-CB 3.24Å; E729-R733 WeakPolarHBondContact O-CD 3.34Å; E729-R733 WeakPolarHBondContact O-CG 3.42Å; E729-R733 PolarHBondContact O-N 2.95Å; E729-R733 IonicContact OE1-CZ 3.9Å; E729-R733 IonicContact OE1-NE 2.77Å; E729-R733 PolarHBondContact OE1-NE 2.66Å; E729-R733 VanDerWaalsContact OE1-NE 3.11Å; E729-R733 IonicContact OE1-NH2 2.67Å; E729-R733 PolarHBondContact OE1-NH2 2.95Å
730	E	85.8	Confident	85.9	Confident	102 Å²	102	78.4 Å²	78.4	48%	0.477	41%	0.407	S	S	.	.	H	α-helix	trans	-70.5	-36.7	176.3	-166.3	62.4	-167.5	0	0	112.6	S726 R727 H728 L732 R733 Q734	S726-E730 WeakPolarHBondContact O-CB 3.41Å; S726-E730 PolarHBondContact O-N 2.97Å; R727-E730 PolarHBondContact O-N 2.9Å; H728-E730 VanDerWaalsContact C-N 3.34Å; H728-E730 PolarHBondContact O-N 3.39Å; E730-L732 VanDerWaalsContact C-N 3.33Å; E730-L732 PolarHBondContact O-N 3.3Å; E730-R733 PolarHBondContact O-N 3.3Å; E730-R733 WeakPolarHBondContact OE2-CD 3.44Å; E730-R733 IonicContact OE2-NH1 3.88Å; E730-Q734 WeakPolarHBondContact O-CB 3.42Å; E730-Q734 PolarHBondContact O-N 3.34Å
731	N	85.8	Confident	85.9	Confident	89 Å²	89	77.4 Å²	77.4	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-61.6	-41.1	171	-71	-18.2	0	0	0	111.6	R727 H728 T735	R727-N731 WeakPolarHBondContact O-CB 3.3Å; R727-N731 PolarHBondContact O-N 3.47Å; R727-N731 PolarHBondContact O-ND2 2.96Å; R727-N731 PolarHBondContact O-OD1 2.98Å; H728-N731 PolarHBondContact O-N 2.89Å; N731-T735 VanDerWaalsContact O-CB 3.31Å; N731-T735 WeakPolarHBondContact O-CB 3.13Å; N731-T735 PolarHBondContact O-N 3.29Å; N731-T735 PolarHBondContact O-OG1 3.41Å
732	L	84.9	Confident	85.9	Confident	75 Å²	75	80.2 Å²	80.2	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-63.9	-43.5	174.4	-78.6	161.1	0	0	0	111.4	H728 E729 E730 T735 A736	H728-L732 WeakPolarHBondContact O-CB 3.48Å; H728-L732 WeakPolarHBondContact O-CG 3.27Å; H728-L732 PolarHBondContact O-N 3.13Å; E729-L732 WeakPolarHBondContact O-CB 3.44Å; E729-L732 PolarHBondContact O-N 3.38Å; E730-L732 VanDerWaalsContact C-N 3.33Å; E730-L732 PolarHBondContact O-N 3.3Å; L732-T735 PolarHBondContact O-N 2.88Å; L732-A736 WeakPolarHBondContact O-CB 3.43Å; L732-A736 PolarHBondContact O-N 2.84Å
733	R	86	Confident	85.8	Confident	140 Å²	140	78.4 Å²	78.4	53%	0.528	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-46.6	175.3	-72.8	162.3	173.5	-149.8	-2.2	112.3	E729 E730 A736 A737	E729-R733 WeakPolarHBondContact O-CB 3.24Å; E729-R733 WeakPolarHBondContact O-CD 3.34Å; E729-R733 WeakPolarHBondContact O-CG 3.42Å; E729-R733 PolarHBondContact O-N 2.95Å; E729-R733 IonicContact OE1-CZ 3.9Å; E729-R733 IonicContact OE1-NE 2.77Å; E729-R733 PolarHBondContact OE1-NE 2.66Å; E729-R733 VanDerWaalsContact OE1-NE 3.11Å; E729-R733 IonicContact OE1-NH2 2.67Å; E729-R733 PolarHBondContact OE1-NH2 2.95Å; E730-R733 PolarHBondContact O-N 3.3Å; E730-R733 WeakPolarHBondContact OE2-CD 3.44Å; E730-R733 IonicContact OE2-NH1 3.88Å; R733-A736 PolarHBondContact O-N 2.92Å; R733-A737 WeakPolarHBondContact O-CB 3.32Å; R733-A737 PolarHBondContact O-N 2.91Å
734	Q	88.9	Confident	85.7	Confident	99 Å²	99	83.7 Å²	83.7	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-63.4	-44	176.5	-176.8	58.3	51.2	0	0	110.9	E730 A736 A737 D738	E730-Q734 WeakPolarHBondContact O-CB 3.42Å; E730-Q734 PolarHBondContact O-N 3.34Å; Q734-A736 PolarHBondContact O-N 3.33Å; Q734-A737 WeakPolarHBondContact O-CB 3.38Å; Q734-A737 PolarHBondContact O-N 3.44Å; Q734-A737 VanDerWaalsContact O-N 3.14Å; Q734-D738 PolarHBondContact NE2-OD1 3.2Å; Q734-D738 PolarHBondContact NE2-OD2 2.84Å; Q734-D738 WeakPolarHBondContact O-CB 3.3Å; Q734-D738 PolarHBondContact O-N 2.98Å
735	T	86.8	Confident	85.7	Confident	83 Å²	83	86.3 Å²	86.3	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-60.3	-43.6	175.4	-56.5	0	0	0	0	111.5	N731 L732 A737 D738 V739	N731-T735 VanDerWaalsContact O-CB 3.31Å; N731-T735 WeakPolarHBondContact O-CB 3.13Å; N731-T735 PolarHBondContact O-N 3.29Å; N731-T735 PolarHBondContact O-OG1 3.41Å; L732-T735 PolarHBondContact O-N 2.88Å; T735-A737 VanDerWaalsContact C-N 3.34Å; T735-A737 PolarHBondContact O-N 3.23Å; T735-D738 PolarHBondContact O-N 3.31Å; T735-V739 WeakPolarHBondContact O-CB 3.24Å; T735-V739 VanDerWaalsContact O-CG2 3.29Å; T735-V739 WeakPolarHBondContact O-CG2 3.4Å; T735-V739 PolarHBondContact O-N 3.48Å
736	A	87.3	Confident	85.6	Confident	55 Å²	55	87.3 Å²	87.3	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-65.6	-35.4	175.6	0	0	0	0	0	112.6	L732 R733 Q734 S740	L732-A736 WeakPolarHBondContact O-CB 3.43Å; L732-A736 PolarHBondContact O-N 2.84Å; R733-A736 PolarHBondContact O-N 2.92Å; Q734-A736 PolarHBondContact O-N 3.33Å; A736-S740 VanDerWaalsContact O-CB 3.25Å; A736-S740 WeakPolarHBondContact O-CB 3.44Å; A736-S740 PolarHBondContact O-N 2.8Å; A736-S740 PolarHBondContact O-OG 3.35Å
737	A	88.7	Confident	85.3	Confident	49 Å²	49	86.7 Å²	86.7	41%	0.405	46%	0.461	S	S	.	.	H	α-helix	trans	-67.7	-42.3	174	0	0	0	0	0	112	R733 Q734 T735 S740 A741	R733-A737 WeakPolarHBondContact O-CB 3.32Å; R733-A737 PolarHBondContact O-N 2.91Å; Q734-A737 WeakPolarHBondContact O-CB 3.38Å; Q734-A737 PolarHBondContact O-N 3.44Å; Q734-A737 VanDerWaalsContact O-N 3.14Å; T735-A737 VanDerWaalsContact C-N 3.34Å; T735-A737 PolarHBondContact O-N 3.23Å; A737-S740 CarbonylContact O-C 3.59Å; A737-S740 WeakPolarHBondContact O-CB 3.45Å; A737-S740 PolarHBondContact O-N 3.29Å; A737-A741 WeakPolarHBondContact O-CB 3.39Å; A737-A741 PolarHBondContact O-N 2.96Å
738	D	88.2	Confident	84.9	Confident	82 Å²	82	84.5 Å²	84.5	44%	0.439	46%	0.46	S	S	.	.	H	α-helix	trans	-69.4	-39.3	178.5	-70.8	-29.6	0	0	0	112.1	Q734 T735 A741 T742	Q734-D738 PolarHBondContact NE2-OD1 3.2Å; Q734-D738 PolarHBondContact NE2-OD2 2.84Å; Q734-D738 WeakPolarHBondContact O-CB 3.3Å; Q734-D738 PolarHBondContact O-N 2.98Å; T735-D738 PolarHBondContact O-N 3.31Å; D738-A741 PolarHBondContact O-N 3.01Å; D738-T742 VanDerWaalsContact O-CB 3.3Å; D738-T742 WeakPolarHBondContact O-CB 3.2Å; D738-T742 PolarHBondContact O-N 3.02Å; D738-T742 PolarHBondContact O-OG1 3.12Å
739	V	87.9	Confident	84.8	Confident	94 Å²	94	88.8 Å²	88.8	57%	0.57	48%	0.478	S	S	*	.	H	α-helix	trans	-62.4	-43.7	169.6	169.7	0	0	0	0	110.5	T735 T742 A743	T735-V739 WeakPolarHBondContact O-CB 3.24Å; T735-V739 VanDerWaalsContact O-CG2 3.29Å; T735-V739 WeakPolarHBondContact O-CG2 3.4Å; T735-V739 PolarHBondContact O-N 3.48Å; V739-T742 PolarHBondContact O-N 3.14Å; V739-A743 WeakPolarHBondContact O-CB 3.46Å; V739-A743 PolarHBondContact O-N 3.39Å
740	S	86.4	Confident	84.3	Confident	55 Å²	55	90.2 Å²	90.2	39%	0.385	49%	0.488	S	S	.	.	H	α-helix	trans	-65.6	-39.1	177.4	-62.4	0	0	0	0	112.8	A736 A737 R744	A736-S740 VanDerWaalsContact O-CB 3.25Å; A736-S740 WeakPolarHBondContact O-CB 3.44Å; A736-S740 PolarHBondContact O-N 2.8Å; A736-S740 PolarHBondContact O-OG 3.35Å; A737-S740 CarbonylContact O-C 3.59Å; A737-S740 WeakPolarHBondContact O-CB 3.45Å; A737-S740 PolarHBondContact O-N 3.29Å; S740-R744 VanDerWaalsContact O-CG 3.3Å; S740-R744 WeakPolarHBondContact O-CG 3.35Å; S740-R744 PolarHBondContact O-N 3.02Å
741	A	86.2	Confident	83.2	Confident	39 Å²	39	88.2 Å²	88.2	32%	0.322	49%	0.485	S	S	.	.	H	α-helix	trans	-65.7	-43.6	173.4	0	0	0	0	0	111.3	A737 D738 A743 R744 I745	A737-A741 WeakPolarHBondContact O-CB 3.39Å; A737-A741 PolarHBondContact O-N 2.96Å; D738-A741 PolarHBondContact O-N 3.01Å; A741-A743 PolarHBondContact O-N 3.14Å; A741-R744 PolarHBondContact O-N 3.26Å; A741-I745 VanDerWaalsContact O-CG1 3.28Å; A741-I745 WeakPolarHBondContact O-CG1 3.44Å; A741-I745 PolarHBondContact O-N 3.29Å
742	T	87.7	Confident	81.9	Confident	86 Å²	86	89.9 Å²	89.9	53%	0.528	49%	0.494	S	S	.	.	H	α-helix	trans	-61.8	-44.2	176.1	-58.3	0	0	0	0	111.2	D738 V739 R744 I745 Q746	D738-T742 VanDerWaalsContact O-CB 3.3Å; D738-T742 WeakPolarHBondContact O-CB 3.2Å; D738-T742 PolarHBondContact O-N 3.02Å; D738-T742 PolarHBondContact O-OG1 3.12Å; V739-T742 PolarHBondContact O-N 3.14Å; T742-R744 PolarHBondContact O-N 3.5Å; T742-I745 PolarHBondContact O-N 2.95Å; T742-Q746 WeakPolarHBondContact O-CB 3.43Å; T742-Q746 PolarHBondContact O-N 2.99Å
743	A	85.1	Confident	80.4	Confident	51 Å²	51	90.5 Å²	90.5	42%	0.421	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175.2	0	0	0	0	0	112.3	V739 A741 Q746 A747	V739-A743 WeakPolarHBondContact O-CB 3.46Å; V739-A743 PolarHBondContact O-N 3.39Å; A741-A743 PolarHBondContact O-N 3.14Å; A743-Q746 PolarHBondContact O-N 2.89Å; A743-A747 WeakPolarHBondContact O-CB 3.4Å; A743-A747 PolarHBondContact O-N 2.75Å
744	R	84.4	Confident	78.5	Confident	171 Å²	171	92 Å²	92	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-63.4	-40.8	173.2	-72.8	170.3	-174.3	147.2	1.6	112.3	S740 A741 T742 Q746 A747 N748	S740-R744 VanDerWaalsContact O-CG 3.3Å; S740-R744 WeakPolarHBondContact O-CG 3.35Å; S740-R744 PolarHBondContact O-N 3.02Å; A741-R744 PolarHBondContact O-N 3.26Å; T742-R744 PolarHBondContact O-N 3.5Å; R744-Q746 VanDerWaalsContact C-N 3.32Å; R744-A747 PolarHBondContact O-N 3.45Å; R744-N748 VanDerWaalsContact O-CB 3.31Å; R744-N748 WeakPolarHBondContact O-CB 3.4Å; R744-N748 VanDerWaalsContact O-CG 3.26Å; R744-N748 PolarHBondContact O-N 3.46Å
745	I	84.8	Confident	76.4	Confident	98 Å²	98	94.5 Å²	94.5	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-38	175.6	-69.8	163.6	0	0	0	110.7	A741 T742 K749	A741-I745 VanDerWaalsContact O-CG1 3.28Å; A741-I745 WeakPolarHBondContact O-CG1 3.44Å; A741-I745 PolarHBondContact O-N 3.29Å; T742-I745 PolarHBondContact O-N 2.95Å; I745-K749 HydrophobicContact CG2-CD 4.39Å; I745-K749 VanDerWaalsContact O-CG 3.31Å; I745-K749 WeakPolarHBondContact O-CG 3.25Å; I745-K749 PolarHBondContact O-N 2.85Å
746	Q	81.9	Confident	73.8	Confident	122 Å²	122	94.8 Å²	94.8	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-69.8	-43.8	176.3	-171.7	169.5	-5.7	0	0	111.9	T742 A743 R744 N748 K749 L750	T742-Q746 WeakPolarHBondContact O-CB 3.43Å; T742-Q746 PolarHBondContact O-N 2.99Å; A743-Q746 PolarHBondContact O-N 2.89Å; R744-Q746 VanDerWaalsContact C-N 3.32Å; Q746-N748 PolarHBondContact O-N 2.77Å; Q746-K749 WeakPolarHBondContact O-CB 3.41Å; Q746-K749 PolarHBondContact O-N 2.99Å; Q746-L750 HydrophobicContact CG-CD1 4.47Å; Q746-L750 WeakPolarHBondContact O-CG 3.32Å; Q746-L750 PolarHBondContact O-N 3.44Å
747	A	78.8	Confident	71.4	Confident	52 Å²	52	97.8 Å²	97.8	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-60.5	-43.9	173.5	0	0	0	0	0	112	A743 R744 K749 L750 S751	A743-A747 WeakPolarHBondContact O-CB 3.4Å; A743-A747 PolarHBondContact O-N 2.75Å; R744-A747 PolarHBondContact O-N 3.45Å; A747-K749 VanDerWaalsContact C-N 3.29Å; A747-K749 PolarHBondContact O-N 2.9Å; A747-L750 PolarHBondContact O-N 2.86Å; A747-S751 PolarHBondContact O-N 3.42Å; A747-S751 PolarHBondContact O-OG 3.1Å
748	N	77.2	Confident	68.6	Low	100 Å²	100	101.4 Å²	101.4	54%	0.535	57%	0.567	S	S	.	*	H	α-helix	trans	-67.3	-26.7	175.7	-74.2	-8.1	0	0	0	113.1	R744 Q746 S751 N752	R744-N748 VanDerWaalsContact O-CB 3.31Å; R744-N748 WeakPolarHBondContact O-CB 3.4Å; R744-N748 VanDerWaalsContact O-CG 3.26Å; R744-N748 PolarHBondContact O-N 3.46Å; Q746-N748 PolarHBondContact O-N 2.77Å; N748-S751 PolarHBondContact O-OG 2.86Å; N748-N752 WeakPolarHBondContact O-CB 3.41Å; N748-N752 PolarHBondContact O-N 3.23Å; N748-N752 PolarHBondContact O-ND2 2.97Å
749	K	78	Confident	66	Low	145 Å²	145	106.9 Å²	106.9	63%	0.63	59%	0.591	S	S	*	*	H	α-helix	trans	-70.8	-43.9	169.9	-77.2	170.7	-179.8	179.8	0	111.1	I745 Q746 A747 N752 T753	I745-K749 HydrophobicContact CG2-CD 4.39Å; I745-K749 VanDerWaalsContact O-CG 3.31Å; I745-K749 WeakPolarHBondContact O-CG 3.25Å; I745-K749 PolarHBondContact O-N 2.85Å; Q746-K749 WeakPolarHBondContact O-CB 3.41Å; Q746-K749 PolarHBondContact O-N 2.99Å; A747-K749 VanDerWaalsContact C-N 3.29Å; A747-K749 PolarHBondContact O-N 2.9Å; K749-N752 PolarHBondContact O-N 3.49Å; K749-T753 PolarHBondContact O-N 3.13Å; K749-T753 VanDerWaalsContact O-N 3.15Å; K749-T753 PolarHBondContact O-OG1 3.3Å
750	L	69.9	Low	63.3	Low	107 Å²	107	110.4 Å²	110.4	56%	0.56	60%	0.601	S	S	*	*	H	α-helix	trans	-63	-48.1	179.2	-69.7	166.7	0	0	0	112.2	Q746 A747 N752 T753	Q746-L750 HydrophobicContact CG-CD1 4.47Å; Q746-L750 WeakPolarHBondContact O-CG 3.32Å; Q746-L750 PolarHBondContact O-N 3.44Å; A747-L750 PolarHBondContact O-N 2.86Å; L750-N752 VanDerWaalsContact C-N 3.32Å; L750-N752 PolarHBondContact O-N 3.15Å; L750-T753 WeakPolarHBondContact CA-OG1 3.39Å; L750-T753 PolarHBondContact O-N 3.32Å; L750-T753 PolarHBondContact O-OG1 3.22Å
751	S	62.3	Low	60.6	Low	60 Å²	60	113.5 Å²	113.5	42%	0.42	62%	0.621	S	S	.	*	H	α-helix	trans	-65	-32.4	179.5	60.9	0	0	0	0	113.5	A747 N748	A747-S751 PolarHBondContact O-N 3.42Å; A747-S751 PolarHBondContact O-OG 3.1Å; N748-S751 PolarHBondContact O-OG 2.86Å
752	N	58.8	Low	57.8	Low	124 Å²	124	116 Å²	116	66%	0.663	64%	0.636	S	S	*	*	H	α-helix	trans	-75.3	-21	173.6	-78.9	-68.1	0	0	0	113.3	N748 K749 L750	N748-N752 WeakPolarHBondContact O-CB 3.41Å; N748-N752 PolarHBondContact O-N 3.23Å; N748-N752 PolarHBondContact O-ND2 2.97Å; K749-N752 PolarHBondContact O-N 3.49Å; L750-N752 VanDerWaalsContact C-N 3.32Å; L750-N752 PolarHBondContact O-N 3.15Å
753	T	53.9	Low	55.1	Low	88 Å²	88	121.4 Å²	121.4	54%	0.54	65%	0.652	S	S	.	*	H	α-helix	trans	-78.5	-21.4	176.4	43.6	0	0	0	0	114.7	K749 L750 N755 S756	K749-T753 PolarHBondContact O-N 3.13Å; K749-T753 VanDerWaalsContact O-N 3.15Å; K749-T753 PolarHBondContact O-OG1 3.3Å; L750-T753 WeakPolarHBondContact CA-OG1 3.39Å; L750-T753 PolarHBondContact O-N 3.32Å; L750-T753 PolarHBondContact O-OG1 3.22Å; T753-N755 PolarHBondContact O-N 2.94Å; T753-S756 PolarHBondContact O-N 3.34Å
754	E	45.7	Very low	52.4	Low	171 Å²	171	126.1 Å²	126.1	80%	0.799	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-12.7	-178.3	-64.9	-168.5	144	0	0	114.2
755	N	44	Very low	49.8	Very low	153 Å²	153	125.5 Å²	125.5	82%	0.818	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	17.8	179.6	-74	-65.5	0	0	0	114.4	T753	T753-N755 PolarHBondContact O-N 2.94Å
756	S	33.7	Very low	47.1	Very low	89 Å²	89	126.3 Å²	126.3	62%	0.622	68%	0.679	S	S	*	*	S	Bend	trans	-125.2	125.3	178.9	-169.5	0	0	0	0	112.8	T753 V758	T753-S756 PolarHBondContact O-N 3.34Å; S756-V758 PolarHBondContact O-N 3.14Å; S756-V758 VanDerWaalsContact O-N 3.08Å
757	P	36	Very low	44.7	Very low	118 Å²	118	129.5 Å²	129.5	77%	0.766	69%	0.691	S	S	*	*			trans	-76.5	100.4	-178.1	30.3	-33.8	0	0	0	112.1
758	V	30.6	Very low	42.4	Very low	124 Å²	124	131.9 Å²	131.9	75%	0.752	70%	0.704	S	S	*	*			trans	29	100.4	148.7	-171.2	0	0	0	0	116.3	S756	S756-V758 PolarHBondContact O-N 3.14Å; S756-V758 VanDerWaalsContact O-N 3.08Å
759	Q	33.2	Very low	40.1	Very low	198 Å²	198	137 Å²	137	93%	0.925	72%	0.717	S	S	*	*			trans	-116.7	124.1	145.8	-77.8	-163.1	-20.4	0	0	110.2
760	H	29.8	Very low	37.7	Very low	168 Å²	168	136.7 Å²	136.7	78%	0.778	72%	0.723	S	S	*	*			trans	-102.1	106	-167.1	-166.1	-72.3	0	0	0	109.3
761	C	30	Very low	35.8	Very low	119 Å²	119	140.6 Å²	140.6	80%	0.804	74%	0.738	S	S	*	*			trans	-144.1	94.7	173.9	-158.8	0	0	0	0	111.4
762	S	28	Very low	34.2	Very low	92 Å²	92	147 Å²	147	64%	0.643	75%	0.754	S	S	*	*			trans	-85.6	120.2	175.9	50.8	0	0	0	0	110.9
763	F	30.5	Very low	32.7	Very low	200 Å²	200	150.2 Å²	150.2	88%	0.877	76%	0.758	S	S	*	*			trans	-131.3	141.6	159.6	-105.1	-88.1	0	0	0	110
764	I	29.6	Very low	31.5	Very low	149 Å²	149	154.7 Å²	154.7	76%	0.764	77%	0.77	S	S	*	*			trans	-109.9	165.2	-176.9	-50.1	175.4	0	0	0	107.5
765	H	29.1	Very low	30.8	Very low	158 Å²	158	151.3 Å²	151.3	73%	0.731	77%	0.766	S	S	*	*			trans	97.1	134.8	159.8	-96.1	-86.7	0	0	0	120.3
766	D	29	Very low	30.2	Very low	116 Å²	116	153.7 Å²	153.7	62%	0.62	76%	0.763	S	S	*	*			trans	78.5	149.5	149.2	-56.6	-30.3	0	0	0	123.2
767	F	30.3	Very low	30.2	Very low	189 Å²	189	157.8 Å²	157.8	83%	0.829	77%	0.77	S	S	*	*			trans	60.2	110.3	173.2	-51.6	-70	0	0	0	116.4
768	S	31.7	Very low	30.1	Very low	101 Å²	101	157.7 Å²	157.7	71%	0.706	76%	0.763	S	S	*	*			cis	72.4	111.8	35.7	-158.1	0	0	0	0	115.3
769	Y	27.5	Very low	30.4	Very low	207 Å²	207	160 Å²	160	81%	0.812	76%	0.763	S	S	*	*			trans	63.1	143.5	166.4	-98.5	-96.3	0	0	0	120.2
770	N	28.1	Very low	30.3	Very low	140 Å²	140	153.7 Å²	153.7	75%	0.749	75%	0.751	S	S	*	*			trans	61.4	110.4	169.2	-59.4	-49.5	0	0	0	118
771	H	30.6	Very low	30.4	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.875	76%	0.755	S	S	*	*				-153	130	110.7	-127	-77.9	0	0	0	114.3
772	Y	27.8	Very low	30.6	Very low	193 Å²	193	154.5 Å²	154.5	76%	0.757	75%	0.751	S	S	*	*			trans	-86.4	161.3	164.5	-120.9	-101.2	0	0	0	109.9
773	Y	27.8	Very low	30.9	Very low	192 Å²	192	157.3 Å²	157.3	75%	0.753	76%	0.758	S	S	*	*			trans	72.9	114.7	158.1	-82.2	-57.4	0	0	0	122.5
774	K	28.7	Very low	31	Very low	182 Å²	182	153 Å²	153	79%	0.791	75%	0.75	S	S	*	*				86.9	115.4	112.9	-152.1	172.5	-166.7	170.1	0	121.8
775	S	31.3	Very low	31.4	Very low	101 Å²	101	151.6 Å²	151.6	71%	0.706	75%	0.751	S	S	*	*			trans	-159.9	123.9	136.6	-88	0	0	0	0	108.8
776	R	31.8	Very low	31.6	Very low	202 Å²	202	152.8 Å²	152.8	76%	0.762	76%	0.762	S	S	*	*				69.1	131.3	91.4	-71.2	178	171.9	166.1	-2.4	113
777	F	33	Very low	31.8	Very low	176 Å²	176	150.2 Å²	150.2	77%	0.772	76%	0.762	S	S	*	*			cis	-118.6	-155	6.8	-59.2	-96.6	0	0	0	109.8
778	D	34.3	Very low	31.9	Very low	115 Å²	115	148 Å²	148	62%	0.615	77%	0.765	S	S	*	*			cis	-164.8	179.6	-2.3	-138.1	4.9	0	0	0	107.8
779	K	35.6	Very low	32	Very low	173 Å²	173	149.3 Å²	149.3	75%	0.752	77%	0.77	S	S	*	*			cis	-155.1	55.7	-4.2	-157.1	178.8	-152.5	90.3	0	114.2
780	G	32.5	Very low	32.4	Very low	66 Å²	66	146.7 Å²	146.7	68%	0.68	78%	0.776	S	S	*	*			trans	97.6	150.5	-179.7	0	0	0	0	0	114
781	L	32.5	Very low	32.6	Very low	164 Å²	164	143.2 Å²	143.2	86%	0.859	77%	0.772	S	S	*	*			cis	-123.7	136.9	10.8	-60.2	158.2	0	0	0	108.3
782	I	33.8	Very low	32.7	Very low	139 Å²	139	139.9 Å²	139.9	71%	0.713	77%	0.768	S	S	*	*				61.4	119.7	62.5	-61	175.4	0	0	0	111.5
783	L	32.6	Very low	32.9	Very low	151 Å²	151	135.8 Å²	135.8	79%	0.791	77%	0.768	S	S	*	*			cis	-169.4	-177.6	-6.2	-102.5	-178.5	0	0	0	106.5
784	P	32.8	Very low	32.9	Very low	110 Å²	110	132.8 Å²	132.8	71%	0.714	77%	0.769	S	S	*	*			cis	-128.7	174.4	-29.8	39	-23.4	0	0	0	114
785	P	38.6	Very low	33	Very low	120 Å²	120	129.9 Å²	129.9	78%	0.779	77%	0.768	S	S	*	*			trans	-115.3	166.8	175.1	41.1	-32.6	0	0	0	115.4
786	L	33.2	Very low	32.9	Very low	183 Å²	183	131.1 Å²	131.1	96%	0.958	77%	0.766	S	S	*	*			trans	-170.2	134	162.1	-99.4	155	0	0	0	108.4
787	G	32.9	Very low	32.6	Very low	61 Å²	61	131.1 Å²	131.1	63%	0.629	77%	0.767	S	S	*	*			cis	-174.6	177.5	-6.8	0	0	0	0	0	112.8
788	T	33.3	Very low	32.5	Very low	144 Å²	144	130.3 Å²	130.3	88%	0.883	76%	0.764	S	S	*	*			trans	55.7	112.1	167	52.4	0	0	0	0	120.8
789	P	34.1	Very low	32.3	Very low	127 Å²	127	131.9 Å²	131.9	83%	0.825	77%	0.772	S	S	*	*			trans	-102.5	158.7	165.8	38.7	-32.1	0	0	0	113.5
790	V	36.1	Very low	31.9	Very low	153 Å²	153	132 Å²	132	93%	0.927	77%	0.769	S	S	*	*			trans	-141.6	137.5	162.4	-179.7	0	0	0	0	109.1
791	G	31.2	Very low	31.8	Very low	66 Å²	66	135.8 Å²	135.8	68%	0.68	77%	0.774	S	S	*	*			trans	-154	152.8	169.2	0	0	0	0	0	111.3
792	P	33.6	Very low	31.6	Very low	119 Å²	119	137.4 Å²	137.4	77%	0.773	77%	0.77	S	S	*	*			trans	-139.4	167.3	149.7	37.4	-23.7	0	0	0	112
793	S	32	Very low	31.4	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	77%	0.771	S	S	*	*			cis	-165.2	148.2	-25	-91.9	0	0	0	0	107.6
794	V	27.9	Very low	31.2	Very low	129 Å²	129	136.7 Å²	136.7	78%	0.782	77%	0.772	S	S	*	*			trans	-83	131.7	179.3	176.9	0	0	0	0	111.2
795	P	30.6	Very low	31.1	Very low	120 Å²	120	136.9 Å²	136.9	78%	0.779	77%	0.774	S	S	*	*			trans	-70.2	138.1	168.4	-16.8	31.6	0	0	0	112.1
796	I	28.7	Very low	30.6	Very low	128 Å²	128	136.3 Å²	136.3	66%	0.656	77%	0.77	S	S	*	*			trans	-111.9	157	176.2	-50.3	174.3	0	0	0	108.4
797	Y	26.1	Very low	30.3	Very low	201 Å²	201	134.8 Å²	134.8	79%	0.788	76%	0.763	S	S	*	*			trans	79.1	150.6	171.9	-50.3	-78.5	0	0	0	116.4
798	K	30.4	Very low	30.1	Very low	160 Å²	160	138.1 Å²	138.1	70%	0.696	77%	0.771	S	S	*	*			cis	-120.1	145.2	1.1	-78.3	84.1	176.1	-171.4	0	111.1	Y800	K798-Y800 HydrophobicContact CB-CD2 4.44Å; K798-Y800 HydrophobicContact CB-CE2 4.23Å
799	N	29.2	Very low	29.9	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	77%	0.765	S	S	*	*			trans	-94.5	119.8	161.7	-165.2	-0.6	0	0	0	108.9	N801	N799-N801 PolarHBondContact O-N 3.33Å; N799-N801 VanDerWaalsContact O-N 3.14Å
800	Y	28.5	Very low	29.8	Very low	174 Å²	174	133.6 Å²	133.6	68%	0.682	76%	0.76	S	S	*	*			trans	-87.6	74.7	-173.4	-84.8	-80.2	0	0	0	112.4	K798 Y802	K798-Y800 HydrophobicContact CB-CD2 4.44Å; K798-Y800 HydrophobicContact CB-CE2 4.23Å; Y800-Y802 HydrophobicContact CD1-CE2 4.12Å; Y800-Y802 PolarHBondContact O-N 3.16Å; Y800-Y802 VanDerWaalsContact O-N 3.12Å
801	N	29	Very low	29.5	Very low	147 Å²	147	133.3 Å²	133.3	79%	0.786	75%	0.753	S	S	*	*			trans	-66.9	104.7	163.3	-81.9	-11.4	0	0	0	110	N799	N799-N801 PolarHBondContact O-N 3.33Å; N799-N801 VanDerWaalsContact O-N 3.14Å
802	Y	28.5	Very low	29.5	Very low	198 Å²	198	136.2 Å²	136.2	78%	0.776	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-85.5	136.8	161.4	-88.9	-85.3	0	0	0	110.2	Y800	Y800-Y802 HydrophobicContact CD1-CE2 4.12Å; Y800-Y802 PolarHBondContact O-N 3.16Å; Y800-Y802 VanDerWaalsContact O-N 3.12Å
803	P	29.4	Very low	29.4	Very low	113 Å²	113	136.8 Å²	136.8	73%	0.734	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-86.1	139.2	-164.3	32.7	-35.6	0	0	0	113.5
804	I	29.3	Very low	29.4	Very low	161 Å²	161	140.8 Å²	140.8	83%	0.826	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-85.2	128.7	155.8	-60.8	177.9	0	0	0	107.1
805	P	30.4	Very low	29.4	Very low	114 Å²	114	142.4 Å²	142.4	74%	0.74	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-71.2	142.7	-175.9	28.3	-34.9	0	0	0	112.2
806	P	27.6	Very low	29.4	Very low	109 Å²	109	141.3 Å²	141.3	71%	0.708	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-90.3	158.7	-179.4	35.9	-35.5	0	0	0	113.3
807	N	27.1	Very low	29.5	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	76%	0.76	S	S	*	*			trans	67	158.1	159.3	-76.3	-18.7	0	0	0	116.9
808	T	29	Very low	29.7	Very low	131 Å²	131	139.9 Å²	139.9	80%	0.804	76%	0.763	S	S	*	*			cis	-150.2	151.2	5.4	-13	0	0	0	0	111.9
809	G	30.1	Very low	29.6	Very low	73 Å²	73	136 Å²	136	75%	0.753	77%	0.769	S	S	*	*			trans	91	147.1	154.4	0	0	0	0	0	116.4
810	S	30.5	Very low	29.8	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	77%	0.772	S	S	*	*			cis	-161.7	144	-10.5	-157.5	0	0	0	0	110.4
811	L	30.5	Very low	29.8	Very low	147 Å²	147	135.2 Å²	135.2	77%	0.77	78%	0.78	S	S	*	*			trans	33.1	135.9	149.6	-58.2	172.7	0	0	0	119.3
812	D	31.6	Very low	30	Very low	127 Å²	127	132.6 Å²	132.6	68%	0.679	77%	0.773	S	S	*	*			cis	-166.4	167.5	21.4	-136.9	-32.2	0	0	0	113.5
813	E	31	Very low	30.3	Very low	131 Å²	131	128.9 Å²	128.9	61%	0.612	77%	0.771	S	S	*	*			trans	61.4	137	164.1	-54.1	-146.8	133.8	0	0	119.8
814	R	31.8	Very low	30.8	Very low	192 Å²	192	134.7 Å²	134.7	73%	0.725	78%	0.778	S	S	*	*			cis	-157.5	125.8	-4.2	-108.3	168.6	-162.4	172.5	16.8	111.1
815	N	29	Very low	31.5	Very low	163 Å²	163	133.3 Å²	133.3	87%	0.872	77%	0.771	S	S	*	*			trans	36.9	103.4	145.9	-55.9	-11.4	0	0	0	121.9
816	A	30.4	Very low	32.2	Very low	96 Å²	96	132.9 Å²	132.9	79%	0.793	78%	0.777	S	S	*	*			trans	-158.9	140.1	135.6	0	0	0	0	0	110.6
817	N	31	Very low	33.4	Very low	167 Å²	167	131.5 Å²	131.5	89%	0.893	76%	0.763	S	S	*	*			trans	-60.7	131.1	-168.5	-66.4	-19.2	0	0	0	114.9
818	P	29.6	Very low	35.3	Very low	133 Å²	133	127.6 Å²	127.6	86%	0.864	75%	0.748	S	S	*	*			trans	-93	115.1	161.6	33.7	-27.3	0	0	0	110.4
819	G	27.7	Very low	37	Very low	78 Å²	78	126 Å²	126	80%	0.804	74%	0.742	S	S	*	*			trans	-178.3	32.9	-174.9	0	0	0	0	0	117.4
820	E	34.4	Very low	38.4	Very low	185 Å²	185	125.4 Å²	125.4	86%	0.864	73%	0.726	S	S	*	*			trans	-144.9	122.2	177	-128.2	171.6	-145.7	0	0	111.8	S822	E820-S822 PolarHBondContact O-N 3.22Å
821	S	27.8	Very low	40.3	Very low	120 Å²	120	121.9 Å²	121.9	84%	0.839	70%	0.704	S	S	*	*			trans	-80.7	60.5	-178.7	57	0	0	0	0	111.8	T823	S821-T823 PolarHBondContact O-N 3.04Å
822	S	33.9	Very low	42.2	Very low	92 Å²	92	117.2 Å²	117.2	64%	0.643	68%	0.677	S	S	*	*			trans	-72.2	92.3	-178.5	174.2	0	0	0	0	111.8	E820 R824	E820-S822 PolarHBondContact O-N 3.22Å; S822-R824 PolarHBondContact O-N 3.24Å; S822-R824 VanDerWaalsContact O-N 3.09Å
823	T	34.7	Very low	44.2	Very low	120 Å²	120	113.9 Å²	113.9	74%	0.736	66%	0.659	S	S	*	*			trans	-57.3	108.2	170.9	46.3	0	0	0	0	111.2	S821 I825	S821-T823 PolarHBondContact O-N 3.04Å; T823-I825 PolarHBondContact O-N 3.47Å
824	R	38.5	Very low	46.5	Very low	236 Å²	236	111.8 Å²	111.8	89%	0.891	66%	0.655	S	S	*	*			trans	-78.4	90.6	178.5	-68.7	-170.3	-175.8	176.2	5.7	111	S822 A826	S822-R824 PolarHBondContact O-N 3.24Å; S822-R824 VanDerWaalsContact O-N 3.09Å; R824-A826 PolarHBondContact O-N 3.34Å
825	I	44.5	Very low	48.6	Very low	132 Å²	132	105.9 Å²	105.9	68%	0.677	64%	0.637	S	S	*	*			trans	-67.5	124.1	172.9	-56.2	175.2	0	0	0	109.3	T823 L827	T823-I825 PolarHBondContact O-N 3.47Å; I825-L827 HydrophobicContact CG2-CD2 3.99Å; I825-L827 HydrophobicContact CG2-CG 4.2Å; I825-L827 PolarHBondContact O-N 2.87Å
826	A	46.1	Very low	50.9	Low	104 Å²	104	101.1 Å²	101.1	86%	0.86	61%	0.612	S	S	*	*			trans	-77.3	107.3	171.6	0	0	0	0	0	109.9	R824	R824-A826 PolarHBondContact O-N 3.34Å
827	L	51.5	Low	53.2	Low	80 Å²	80	99.5 Å²	99.5	42%	0.419	59%	0.594	S	S	.	*			trans	-99.3	142	179.2	-65.6	167.5	0	0	0	110.6	I825 A831 I835	I825-L827 HydrophobicContact CG2-CD2 3.99Å; I825-L827 HydrophobicContact CG2-CG 4.2Å; I825-L827 PolarHBondContact O-N 2.87Å; L827-A831 HydrophobicContact CB-CB 4.46Å; L827-A831 HydrophobicContact CD2-CB 4.12Å; L827-I835 HydrophobicContact CD1-CD1 3.67Å; L827-I835 HydrophobicContact CD2-CD1 3.89Å; L827-I835 HydrophobicContact CG-CD1 4.44Å
828	S	67	Low	55.5	Low	68 Å²	68	93.8 Å²	93.8	48%	0.476	57%	0.57	S	S	.	*			trans	-71.6	152.6	163.9	60.2	0	0	0	0	110.3	S830 A831 F832	S828-S830 PolarHBondContact O-N 2.92Å; S828-S830 VanDerWaalsContact O-N 3.14Å; S828-S830 PolarHBondContact OG-OG 3.45Å; S828-A831 WeakPolarHBondContact O-CA 3.41Å; S828-A831 WeakPolarHBondContact O-CB 3.29Å; S828-A831 PolarHBondContact O-N 3.37Å; S828-A831 PolarHBondContact OG-N 2.74Å; S828-F832 PolarHBondContact O-N 3.18Å
829	S	64.4	Low	57.7	Low	97 Å²	97	89.3 Å²	89.3	68%	0.678	54%	0.539	S	S	*	.	H	α-helix	trans	-55.5	-33.6	178.2	-45.4	0	0	0	0	112.9	F832 N833	S829-F832 PolarHBondContact O-N 2.77Å; S829-N833 WeakPolarHBondContact O-CB 3.45Å; S829-N833 VanDerWaalsContact O-CG 3.27Å; S829-N833 PolarHBondContact O-N 2.8Å; S829-N833 PolarHBondContact O-OD1 2.78Å
830	S	59.7	Low	60	Low	61 Å²	61	90.4 Å²	90.4	43%	0.427	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-41.8	171.9	45.6	0	0	0	0	113.2	S828 V834	S828-S830 PolarHBondContact O-N 2.92Å; S828-S830 VanDerWaalsContact O-N 3.14Å; S828-S830 PolarHBondContact OG-OG 3.45Å; S830-V834 VanDerWaalsContact O-CG2 3.31Å; S830-V834 WeakPolarHBondContact O-CG2 3.29Å; S830-V834 PolarHBondContact O-N 3.22Å; S830-V834 VanDerWaalsContact O-N 3.09Å
831	A	72.3	Confident	62	Low	31 Å²	31	84.1 Å²	84.1	26%	0.256	51%	0.506	S	S	.	.	H	α-helix	trans	-70.2	-36.9	176.5	0	0	0	0	0	111.6	L827 S828 V834 I835	L827-A831 HydrophobicContact CB-CB 4.46Å; L827-A831 HydrophobicContact CD2-CB 4.12Å; S828-A831 WeakPolarHBondContact O-CA 3.41Å; S828-A831 WeakPolarHBondContact O-CB 3.29Å; S828-A831 PolarHBondContact O-N 3.37Å; S828-A831 PolarHBondContact OG-N 2.74Å; A831-V834 PolarHBondContact O-N 3.48Å; A831-I835 WeakPolarHBondContact O-CB 3.47Å; A831-I835 WeakPolarHBondContact O-CD1 3.07Å; A831-I835 VanDerWaalsContact O-CG1 3.26Å; A831-I835 WeakPolarHBondContact O-CG1 3.37Å; A831-I835 PolarHBondContact O-N 2.86Å
832	F	69.8	Low	64.3	Low	48 Å²	48	81.6 Å²	81.6	21%	0.211	48%	0.483	C	S	.	.	H	α-helix	trans	-59.8	-49.1	173.1	-178.9	-95.6	0	0	0	111.8	S828 S829 V834 I835 L836 L856	S828-F832 PolarHBondContact O-N 3.18Å; S829-F832 PolarHBondContact O-N 2.77Å; F832-V834 PolarHBondContact O-N 2.87Å; F832-I835 PolarHBondContact O-N 2.62Å; F832-L836 HydrophobicContact CD1-CD1 3.96Å; F832-L836 HydrophobicContact CD1-CG 4.49Å; F832-L836 HydrophobicContact CE1-CD1 3.45Å; F832-L836 VanDerWaalsContact CE1-CD1 3.45Å; F832-L836 HydrophobicContact CE1-CG 4.26Å; F832-L836 HydrophobicContact CZ-CD1 3.93Å; F832-L836 PolarHBondContact O-N 2.75Å; F832-L856 HydrophobicContact CD2-CD1 4.36Å; F832-L856 HydrophobicContact CE2-CB 3.94Å; F832-L856 HydrophobicContact CE2-CD1 3.74Å; F832-L856 HydrophobicContact CE2-CG 4.29Å; F832-L856 HydrophobicContact CZ-CB 4.41Å; F832-L856 HydrophobicContact CZ-CD1 4.47Å
833	N	73.1	Confident	66.3	Low	58 Å²	58	79 Å²	79	31%	0.31	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-39.9	177.6	-71.2	2	0	0	0	112.4	L419 S829 L836 S837	L419-N833 HydrophobicContact CD2-CB 4.04Å; S829-N833 WeakPolarHBondContact O-CB 3.45Å; S829-N833 VanDerWaalsContact O-CG 3.27Å; S829-N833 PolarHBondContact O-N 2.8Å; S829-N833 PolarHBondContact O-OD1 2.78Å; N833-L836 PolarHBondContact O-N 3.37Å; N833-S837 WeakPolarHBondContact O-CB 3.22Å; N833-S837 PolarHBondContact O-N 2.89Å; N833-S837 PolarHBondContact O-OG 3.43Å
834	V	78.7	Confident	68.3	Low	87 Å²	87	78.1 Å²	78.1	53%	0.527	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-40.7	174.3	168.9	0	0	0	0	111.4	S830 A831 F832 S837 A838	S830-V834 VanDerWaalsContact O-CG2 3.31Å; S830-V834 WeakPolarHBondContact O-CG2 3.29Å; S830-V834 PolarHBondContact O-N 3.22Å; S830-V834 VanDerWaalsContact O-N 3.09Å; A831-V834 PolarHBondContact O-N 3.48Å; F832-V834 PolarHBondContact O-N 2.87Å; V834-S837 PolarHBondContact O-N 3.4Å; V834-A838 WeakPolarHBondContact O-CB 3.22Å; V834-A838 PolarHBondContact O-N 3.31Å
835	I	77	Confident	70.1	Confident	67 Å²	67	70.3 Å²	70.3	34%	0.344	44%	0.44	S	S	.	.	H	α-helix	trans	-65.9	-42.8	176.3	-72.6	162.8	0	0	0	111.3	L827 A831 F832 A838 I839	L827-I835 HydrophobicContact CD1-CD1 3.67Å; L827-I835 HydrophobicContact CD2-CD1 3.89Å; L827-I835 HydrophobicContact CG-CD1 4.44Å; A831-I835 WeakPolarHBondContact O-CB 3.47Å; A831-I835 WeakPolarHBondContact O-CD1 3.07Å; A831-I835 VanDerWaalsContact O-CG1 3.26Å; A831-I835 WeakPolarHBondContact O-CG1 3.37Å; A831-I835 PolarHBondContact O-N 2.86Å; F832-I835 PolarHBondContact O-N 2.62Å; I835-A838 PolarHBondContact O-N 3.11Å; I835-I839 HydrophobicContact CG2-CD1 3.88Å; I835-I839 VanDerWaalsContact O-CG1 3.29Å; I835-I839 WeakPolarHBondContact O-CG1 3.45Å; I835-I839 PolarHBondContact O-N 2.92Å
836	L	77.4	Confident	71.3	Confident	64 Å²	64	66.8 Å²	66.8	34%	0.335	44%	0.436	S	S	.	.	H	α-helix	trans	-62.9	-44.5	174.7	-71.2	-177.7	0	0	0	111.8	F832 N833 A838 I839 D840 P854 L856	F832-L836 HydrophobicContact CD1-CD1 3.96Å; F832-L836 HydrophobicContact CD1-CG 4.49Å; F832-L836 HydrophobicContact CE1-CD1 3.45Å; F832-L836 VanDerWaalsContact CE1-CD1 3.45Å; F832-L836 HydrophobicContact CE1-CG 4.26Å; F832-L836 HydrophobicContact CZ-CD1 3.93Å; F832-L836 PolarHBondContact O-N 2.75Å; N833-L836 PolarHBondContact O-N 3.37Å; L836-A838 VanDerWaalsContact C-N 3.33Å; L836-A838 PolarHBondContact O-N 3.1Å; L836-I839 PolarHBondContact O-N 2.85Å; L836-D840 PolarHBondContact O-N 3.38Å; L836-P854 HydrophobicContact CD2-CG 4.24Å; L836-L856 HydrophobicContact CD2-CD1 4.4Å
837	S	77.8	Confident	72.6	Confident	61 Å²	61	68.8 Å²	68.8	43%	0.427	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-39.1	177.4	-55.2	0	0	0	0	111.9	N833 V834 D840 A841	N833-S837 WeakPolarHBondContact O-CB 3.22Å; N833-S837 PolarHBondContact O-N 2.89Å; N833-S837 PolarHBondContact O-OG 3.43Å; V834-S837 PolarHBondContact O-N 3.4Å; S837-D840 PolarHBondContact O-N 2.92Å; S837-A841 WeakPolarHBondContact O-CB 3.13Å; S837-A841 PolarHBondContact O-N 3.48Å
838	A	79.3	Confident	73	Confident	47 Å²	47	67.3 Å²	67.3	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-66.5	-40.3	174.3	0	0	0	0	0	112.4	V834 I835 L836 A841 L842	V834-A838 WeakPolarHBondContact O-CB 3.22Å; V834-A838 PolarHBondContact O-N 3.31Å; I835-A838 PolarHBondContact O-N 3.11Å; L836-A838 VanDerWaalsContact C-N 3.33Å; L836-A838 PolarHBondContact O-N 3.1Å; A838-A841 PolarHBondContact O-N 3.06Å; A838-L842 WeakPolarHBondContact O-CB 3.47Å; A838-L842 VanDerWaalsContact O-CG 3.26Å; A838-L842 WeakPolarHBondContact O-CG 3.45Å; A838-L842 PolarHBondContact O-N 2.98Å
839	I	77	Confident	72.7	Confident	39 Å²	39	68.4 Å²	68.4	20%	0.2	43%	0.426	C	S	.	.	H	α-helix	trans	-63.4	-41.5	174.8	-71.5	166.5	0	0	0	110.8	I835 L836 L842 K843 P854	I835-I839 HydrophobicContact CG2-CD1 3.88Å; I835-I839 VanDerWaalsContact O-CG1 3.29Å; I835-I839 WeakPolarHBondContact O-CG1 3.45Å; I835-I839 PolarHBondContact O-N 2.92Å; L836-I839 PolarHBondContact O-N 2.85Å; I839-L842 PolarHBondContact O-N 3.17Å; I839-K843 HydrophobicContact CG2-CD 4.22Å; I839-K843 WeakPolarHBondContact O-CG 3.48Å; I839-K843 PolarHBondContact O-N 3.29Å; I839-P854 HydrophobicContact CD1-CB 4.37Å; I839-P854 HydrophobicContact CD1-CG 4.18Å
840	D	75.2	Confident	72.3	Confident	102 Å²	102	74.7 Å²	74.7	55%	0.545	44%	0.435	S	S	.	.	H	α-helix	trans	-74.1	-32.2	179.4	-122.6	42.7	0	0	0	112.6	L836 S837 K843 S844	L836-D840 PolarHBondContact O-N 3.38Å; S837-D840 PolarHBondContact O-N 2.92Å; D840-K843 PolarHBondContact O-N 3.14Å; D840-S844 WeakPolarHBondContact O-CB 3.35Å; D840-S844 PolarHBondContact O-N 3.02Å; D840-S844 PolarHBondContact O-OG 3.09Å
841	A	77	Confident	72	Confident	53 Å²	53	75 Å²	75	44%	0.438	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-40.7	167.2	0	0	0	0	0	112.2	S837 A838 S844 S845	S837-A841 WeakPolarHBondContact O-CB 3.13Å; S837-A841 PolarHBondContact O-N 3.48Å; A838-A841 PolarHBondContact O-N 3.06Å; A841-S844 WeakPolarHBondContact CA-OG 3.27Å; A841-S844 PolarHBondContact O-N 3.2Å; A841-S844 PolarHBondContact O-OG 3.16Å; A841-S845 WeakPolarHBondContact O-CB 3.49Å; A841-S845 PolarHBondContact O-N 3.23Å; A841-S845 PolarHBondContact O-OG 3.08Å
842	L	76.4	Confident	71	Confident	66 Å²	66	77.9 Å²	77.9	35%	0.346	46%	0.458	S	S	.	.	H	α-helix	trans	-72.1	-29.7	176.1	-72	169.4	0	0	0	113.1	A838 I839 S845 G846 Q847 L848	A838-L842 WeakPolarHBondContact O-CB 3.47Å; A838-L842 VanDerWaalsContact O-CG 3.26Å; A838-L842 WeakPolarHBondContact O-CG 3.45Å; A838-L842 PolarHBondContact O-N 2.98Å; I839-L842 PolarHBondContact O-N 3.17Å; L842-S845 WeakPolarHBondContact CA-OG 3.35Å; L842-S845 PolarHBondContact O-OG 3.47Å; L842-G846 PolarHBondContact O-N 2.91Å; L842-Q847 HydrophobicContact CD2-CB 4.2Å; L842-Q847 PolarHBondContact O-N 2.73Å; L842-L848 HydrophobicContact CB-CD1 3.54Å; L842-L848 HydrophobicContact CB-CG 3.82Å; L842-L848 HydrophobicContact CD1-CD1 4.17Å; L842-L848 PolarHBondContact O-N 2.71Å
843	K	75.7	Confident	70	Confident	39 Å²	39	81.5 Å²	81.5	17%	0.17	48%	0.48	C	S	.	.	H	α-helix	trans	-71.8	-38.6	170.2	-75.4	171.7	176.3	-176.6	0	112.8	I839 D840 G846 L848 L852	I839-K843 HydrophobicContact CG2-CD 4.22Å; I839-K843 WeakPolarHBondContact O-CG 3.48Å; I839-K843 PolarHBondContact O-N 3.29Å; D840-K843 PolarHBondContact O-N 3.14Å; K843-G846 PolarHBondContact O-N 2.88Å; K843-L848 HydrophobicContact CG-CB 4.29Å; K843-L852 WeakPolarHBondContact CE-O 3.49Å; K843-L852 PolarHBondContact NZ-O 2.94Å
844	S	75.9	Confident	68.9	Low	101 Å²	101	81.5 Å²	81.5	71%	0.706	48%	0.483	S	S	*	.	H	α-helix	trans	-80.3	-28.8	-178.3	50.8	0	0	0	0	113.4	D840 A841 G846	D840-S844 WeakPolarHBondContact O-CB 3.35Å; D840-S844 PolarHBondContact O-N 3.02Å; D840-S844 PolarHBondContact O-OG 3.09Å; A841-S844 WeakPolarHBondContact CA-OG 3.27Å; A841-S844 PolarHBondContact O-N 3.2Å; A841-S844 PolarHBondContact O-OG 3.16Å; S844-G846 PolarHBondContact O-N 2.77Å
845	S	76.7	Confident	67.3	Low	71 Å²	71	84.1 Å²	84.1	50%	0.497	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.6	165.8	58	0	0	0	0	114.2	A841 L842 Q847	A841-S845 WeakPolarHBondContact O-CB 3.49Å; A841-S845 PolarHBondContact O-N 3.23Å; A841-S845 PolarHBondContact O-OG 3.08Å; L842-S845 WeakPolarHBondContact CA-OG 3.35Å; L842-S845 PolarHBondContact O-OG 3.47Å; S845-Q847 VanDerWaalsContact C-N 3.27Å; S845-Q847 PolarHBondContact O-N 2.77Å
846	G	69.1	Low	65.7	Low	59 Å²	59	85.1 Å²	85.1	61%	0.608	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	3.8	179.6	0	0	0	0	0	115.2	L842 K843 S844 L848	L842-G846 PolarHBondContact O-N 2.91Å; K843-G846 PolarHBondContact O-N 2.88Å; S844-G846 PolarHBondContact O-N 2.77Å; G846-L848 VanDerWaalsContact C-N 3.3Å; G846-L848 PolarHBondContact O-N 2.75Å
847	Q	73.4	Confident	63.9	Low	145 Å²	145	91.8 Å²	91.8	68%	0.678	53%	0.531	S	S	*	.	S	Bend	trans	-75.7	-15.3	179.7	-63.9	-174.4	1.4	0	0	113.5	L842 S845	L842-Q847 HydrophobicContact CD2-CB 4.2Å; L842-Q847 PolarHBondContact O-N 2.73Å; S845-Q847 VanDerWaalsContact C-N 3.27Å; S845-Q847 PolarHBondContact O-N 2.77Å
848	L	60.4	Low	62	Low	49 Å²	49	96.2 Å²	96.2	26%	0.257	55%	0.545	S	S	.	.	S	Bend	trans	-116.7	136.4	169.8	-70	175.8	0	0	0	112.1	L842 K843 G846 R850 L852	L842-L848 HydrophobicContact CB-CD1 3.54Å; L842-L848 HydrophobicContact CB-CG 3.82Å; L842-L848 HydrophobicContact CD1-CD1 4.17Å; L842-L848 PolarHBondContact O-N 2.71Å; K843-L848 HydrophobicContact CG-CB 4.29Å; G846-L848 VanDerWaalsContact C-N 3.3Å; G846-L848 PolarHBondContact O-N 2.75Å; L848-R850 PolarHBondContact O-N 3.32Å; L848-L852 HydrophobicContact CB-CD1 4.39Å; L848-L852 HydrophobicContact CD2-CD1 3.88Å
849	P	59.6	Low	60	Low	92 Å²	92	103 Å²	103	60%	0.597	57%	0.566	S	S	*	*			trans	-54.5	132.1	168.6	-26.7	34.6	0	0	0	112.1	G851 L852	P849-G851 PolarHBondContact O-N 3.21Å; P849-L852 PolarHBondContact O-N 3.47Å
850	R	57.2	Low	57.8	Low	228 Å²	228	107.9 Å²	107.9	86%	0.86	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-17.5	-177.3	-68.6	-175.6	177.1	-176.8	-0.8	114.8	L848	L848-R850 PolarHBondContact O-N 3.32Å
851	G	52.5	Low	55.8	Low	67 Å²	67	110.3 Å²	110.3	69%	0.691	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-10.4	177.6	0	0	0	0	0	115.8	P849 N853	P849-G851 PolarHBondContact O-N 3.21Å; G851-N853 PolarHBondContact O-N 3.49Å
852	L	51.1	Low	53.5	Low	92 Å²	92	114.6 Å²	114.6	48%	0.482	62%	0.619	S	S	.	*			trans	-75.3	96.1	-179.2	-72.7	173	0	0	0	111.8	K843 L848 P849	K843-L852 WeakPolarHBondContact CE-O 3.49Å; K843-L852 PolarHBondContact NZ-O 2.94Å; L848-L852 HydrophobicContact CB-CD1 4.39Å; L848-L852 HydrophobicContact CD2-CD1 3.88Å; P849-L852 PolarHBondContact O-N 3.47Å
853	N	49.1	Very low	51.2	Low	125 Å²	125	117.8 Å²	117.8	67%	0.668	64%	0.641	S	S	*	*			trans	-98	116.2	169.9	-77.7	-33.8	0	0	0	110.3	G851 T855	G851-N853 PolarHBondContact O-N 3.49Å; N853-T855 PolarHBondContact O-N 2.99Å
854	P	50.1	Low	49	Very low	57 Å²	57	122.8 Å²	122.8	37%	0.37	67%	0.668	S	S	.	*			trans	-68.8	117.8	176.2	28.6	-33.5	0	0	0	109.9	L836 I839 L856	L836-P854 HydrophobicContact CD2-CG 4.24Å; I839-P854 HydrophobicContact CD1-CB 4.37Å; I839-P854 HydrophobicContact CD1-CG 4.18Å; P854-L856 HydrophobicContact CB-CD1 4.03Å; P854-L856 HydrophobicContact CB-CG 4.27Å; P854-L856 HydrophobicContact CG-CD1 4.47Å; P854-L856 PolarHBondContact O-N 3.41Å
855	T	45.7	Very low	46.7	Very low	142 Å²	142	125.4 Å²	125.4	87%	0.871	67%	0.669	S	S	*	*			trans	-77.2	65	179	48.5	0	0	0	0	112	N853	N853-T855 PolarHBondContact O-N 2.99Å
856	L	42.2	Very low	44.4	Very low	89 Å²	89	129 Å²	129	47%	0.466	68%	0.681	S	S	.	*			trans	-92.8	117.7	176.1	-67.3	164.7	0	0	0	109.4	F832 L836 P854	F832-L856 HydrophobicContact CD2-CD1 4.36Å; F832-L856 HydrophobicContact CE2-CB 3.94Å; F832-L856 HydrophobicContact CE2-CD1 3.74Å; F832-L856 HydrophobicContact CE2-CG 4.29Å; F832-L856 HydrophobicContact CZ-CB 4.41Å; F832-L856 HydrophobicContact CZ-CD1 4.47Å; L836-L856 HydrophobicContact CD2-CD1 4.4Å; P854-L856 HydrophobicContact CB-CD1 4.03Å; P854-L856 HydrophobicContact CB-CG 4.27Å; P854-L856 HydrophobicContact CG-CD1 4.47Å; P854-L856 PolarHBondContact O-N 3.41Å
857	K	40.6	Very low	42.6	Very low	204 Å²	204	133.9 Å²	133.9	89%	0.887	69%	0.686	S	S	*	*			trans	-98	115	177.1	-70	-176.1	178.3	180	0	110.1	K859	K857-K859 PolarHBondContact O-N 3.21Å
858	E	37.7	Very low	40.4	Very low	154 Å²	154	134.1 Å²	134.1	72%	0.72	69%	0.692	S	S	*	*			trans	-61.9	129.6	163.3	-67.1	-175	119.5	0	0	109.8
859	K	36.6	Very low	38.8	Very low	190 Å²	190	137.5 Å²	137.5	83%	0.826	72%	0.717	S	S	*	*			trans	-88	110.8	155.9	-89.2	-168.5	171.3	-170.3	0	107	K857 I861	K857-K859 PolarHBondContact O-N 3.21Å; K859-I861 PolarHBondContact O-N 3.24Å
860	N	32.5	Very low	37.3	Very low	140 Å²	140	138.1 Å²	138.1	75%	0.749	72%	0.723	S	S	*	*			trans	-59.4	98	169.4	-76.8	-27	0	0	0	110
861	I	31.8	Very low	36.1	Very low	154 Å²	154	136 Å²	136	79%	0.79	72%	0.723	S	S	*	*			trans	-84.9	110	163	-61.9	178.5	0	0	0	105.7	K859 V863	K859-I861 PolarHBondContact O-N 3.24Å; I861-V863 PolarHBondContact O-N 3.22Å
862	N	29.1	Very low	35.1	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	73%	0.732	S	S	*	*			trans	-61.9	106.7	-177.4	-72.1	-32.5	0	0	0	110.6	I864	N862-I864 PolarHBondContact O-N 3.14Å; N862-I864 VanDerWaalsContact O-N 3.07Å
863	V	28.4	Very low	33.9	Very low	132 Å²	132	145.4 Å²	145.4	80%	0.8	75%	0.75	S	S	*	*			trans	-67.7	105.3	168.6	178.5	0	0	0	0	107.9	I861 Q865	I861-V863 PolarHBondContact O-N 3.22Å; V863-Q865 PolarHBondContact O-N 3.47Å
864	I	28.6	Very low	33.1	Very low	144 Å²	144	145.5 Å²	145.5	74%	0.738	76%	0.755	S	S	*	*			trans	-67	108.1	175	-61.7	177.5	0	0	0	108	N862 I866	N862-I864 PolarHBondContact O-N 3.14Å; N862-I864 VanDerWaalsContact O-N 3.07Å; I864-I866 HydrophobicContact CG2-CG1 4.27Å; I864-I866 PolarHBondContact O-N 3.25Å
865	Q	28.3	Very low	32	Very low	156 Å²	156	149.2 Å²	149.2	73%	0.729	77%	0.771	S	S	*	*			trans	-67	91.6	171.7	-76.3	-168.6	-12.4	0	0	110.4	V863 K867	V863-Q865 PolarHBondContact O-N 3.47Å; Q865-K867 VanDerWaalsContact C-N 3.31Å; Q865-K867 PolarHBondContact O-N 3.06Å
866	I	29.3	Very low	31.2	Very low	148 Å²	148	152.9 Å²	152.9	76%	0.759	77%	0.769	S	S	*	*			trans	-73.3	91.2	163.3	-56.9	-179.3	0	0	0	107.4	I864 N868	I864-I866 HydrophobicContact CG2-CG1 4.27Å; I864-I866 PolarHBondContact O-N 3.25Å; I866-N868 PolarHBondContact O-N 3.31Å
867	K	30.6	Very low	30.6	Very low	161 Å²	161	154.3 Å²	154.3	70%	0.7	78%	0.777	S	S	*	*			trans	-69.3	121.7	171.4	-71.6	-178.9	176.6	177.9	0	109.4	Q865 P869	Q865-K867 VanDerWaalsContact C-N 3.31Å; Q865-K867 PolarHBondContact O-N 3.06Å; K867-P869 WeakPolarHBondContact O-CD 3.43Å
868	N	26.8	Very low	30	Very low	150 Å²	150	150.8 Å²	150.8	80%	0.802	77%	0.768	S	S	*	*			trans	-58.3	119.6	171.5	-80.9	-23.7	0	0	0	111.4	I866	I866-N868 PolarHBondContact O-N 3.31Å
869	P	27.5	Very low	29.7	Very low	120 Å²	120	150.6 Å²	150.6	78%	0.779	77%	0.767	S	S	*	*			trans	-107.4	74.6	172.9	34.3	-18.4	0	0	0	109.2	K867	K867-P869 WeakPolarHBondContact O-CD 3.43Å
870	S	27.6	Very low	29.5	Very low	104 Å²	104	149.5 Å²	149.5	73%	0.727	77%	0.765	S	S	*	*			trans	-141.4	39.5	-173.9	-54.6	0	0	0	0	113.9
871	Q	31.9	Very low	29.1	Very low	184 Å²	184	153.6 Å²	153.6	86%	0.86	77%	0.772	S	S	*	*			trans	-140.7	83.2	165.9	-75.4	-166.7	-8.1	0	0	111.7
872	Q	32.1	Very low	29.1	Very low	190 Å²	190	154.2 Å²	154.2	89%	0.888	78%	0.775	S	S	*	*			trans	-170	105	144.7	-109.1	160.7	61.3	0	0	110.2
873	I	25.4	Very low	28.9	Very low	166 Å²	166	152.1 Å²	152.1	85%	0.851	77%	0.771	S	S	*	*			trans	-100.2	107.5	171.3	-60.9	171.8	0	0	0	107.2
874	V	32.1	Very low	29.3	Very low	128 Å²	128	152 Å²	152	78%	0.776	77%	0.774	S	S	*	*			trans	-138.6	125	162.5	-173.1	0	0	0	0	110.1
875	N	26.9	Very low	29.4	Very low	134 Å²	134	150.8 Å²	150.8	72%	0.717	78%	0.778	S	S	*	*			trans	-52.7	143.2	-178.5	-40.7	-63.7	0	0	0	114.1
876	R	29.8	Very low	29.2	Very low	219 Å²	219	153.1 Å²	153.1	83%	0.826	78%	0.781	S	S	*	*				-178.4	125.1	100	-97.1	-165.4	151.9	130.6	-0.9	115.6
877	D	29.2	Very low	29.4	Very low	119 Å²	119	154 Å²	154	64%	0.636	79%	0.788	S	S	*	*				51.2	128	126.8	-47.3	-20.5	0	0	0	123
878	N	28.6	Very low	29.3	Very low	130 Å²	130	153.5 Å²	153.5	70%	0.695	79%	0.788	S	S	*	*			trans	92.4	116	140.5	-73.8	-40.5	0	0	0	123
879	Q	31.6	Very low	29.6	Very low	150 Å²	150	154.8 Å²	154.8	70%	0.701	79%	0.793	S	S	*	*			trans	74.4	143.4	135.7	-60.7	167	23.6	0	0	118.2
880	Q	31.8	Very low	29.7	Very low	167 Å²	167	154 Å²	154	78%	0.78	79%	0.79	S	S	*	*			cis	-157.6	156.1	-10.9	-120.3	164	5.8	0	0	110.1
881	Y	24.6	Very low	29.9	Very low	227 Å²	227	152.4 Å²	152.4	89%	0.89	79%	0.791	S	S	*	*			trans	-80.3	136.7	173.3	-102.8	-100.2	0	0	0	111.7
882	I	31.2	Very low	29.9	Very low	166 Å²	166	150.6 Å²	150.6	85%	0.851	79%	0.786	S	S	*	*			trans	-137.9	142.3	158.6	-60.3	-175.8	0	0	0	109.2
883	S	25.2	Very low	30	Very low	99 Å²	99	149.2 Å²	149.2	69%	0.692	78%	0.78	S	S	*	*			trans	-99.4	178	-171	-49.2	0	0	0	0	112.2
884	P	36.1	Very low	30.2	Very low	131 Å²	131	148.7 Å²	148.7	85%	0.851	78%	0.778	S	S	*	*			trans	-86.9	169.6	-161.1	36.5	-37.3	0	0	0	115
885	S	30	Very low	30.4	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	77%	0.772	S	S	*	*			trans	-138.8	146.4	170.6	56.2	0	0	0	0	112.9
886	Y	25.3	Very low	30.5	Very low	205 Å²	205	146.4 Å²	146.4	80%	0.804	77%	0.771	S	S	*	*			trans	-69.9	160.9	169.8	-90.2	-120.9	0	0	0	111.6
887	N	32.3	Very low	30.5	Very low	168 Å²	168	144.1 Å²	144.1	90%	0.898	77%	0.77	S	S	*	*				-156.6	151.2	120.5	-103	-33.2	0	0	0	112.9
888	Q	29	Very low	30.2	Very low	149 Å²	149	143 Å²	143	70%	0.696	77%	0.77	S	S	*	*			trans	-95.4	151.3	-178.1	-62	165.3	-23.2	0	0	111.2
889	I	33	Very low	30.2	Very low	177 Å²	177	142.7 Å²	142.7	91%	0.908	77%	0.773	S	S	*	*			trans	-133.1	144.3	144.1	-61	-175.1	0	0	0	106.7
890	S	29.3	Very low	30	Very low	103 Å²	103	140.3 Å²	140.3	72%	0.72	77%	0.773	S	S	*	*			trans	-124.1	160.8	-158	-49.7	0	0	0	0	113.7
891	G	31.9	Very low	30	Very low	72 Å²	72	138.1 Å²	138.1	74%	0.742	77%	0.771	S	S	*	*			trans	115.2	143.2	169.9	0	0	0	0	0	113.6
892	L	32.2	Very low	30.2	Very low	146 Å²	146	133.8 Å²	133.8	76%	0.764	76%	0.763	S	S	*	*			cis	-157.9	142.9	-4.8	-164.5	72	0	0	0	110.3
893	E	34.9	Very low	30.1	Very low	161 Å²	161	130.2 Å²	130.2	75%	0.752	75%	0.753	S	S	*	*			trans	43.4	100.6	155.8	-72.2	156.1	-140.8	0	0	120.9
894	D	29.2	Very low	30.3	Very low	154 Å²	154	131.6 Å²	131.6	82%	0.824	76%	0.757	S	S	*	*				19.3	161.3	96.5	-97.3	2.7	0	0	0	119.5
895	P	36.3	Very low	29.9	Very low	100 Å²	100	128.8 Å²	128.8	65%	0.649	75%	0.745	S	S	*	*			cis	-143.7	-154.1	-32.3	35.5	-12.8	0	0	0	112.9
896	V	28.1	Very low	30	Very low	115 Å²	115	129.6 Å²	129.6	70%	0.697	74%	0.74	S	S	*	*			trans	88.1	125.8	145.3	160.9	0	0	0	0	121.9
897	H	29.8	Very low	30.3	Very low	171 Å²	171	126.2 Å²	126.2	79%	0.792	74%	0.736	S	S	*	*			trans	57.1	160.8	153	-76.7	-24.5	0	0	0	121.2
898	C	24.6	Very low	30.2	Very low	94 Å²	94	122.4 Å²	122.4	64%	0.635	73%	0.728	S	S	*	*			cis	-177.1	-177.5	-37.5	-119.3	0	0	0	0	108.4
899	T	27.6	Very low	30.6	Very low	125 Å²	125	120.5 Å²	120.5	77%	0.767	73%	0.728	S	S	*	*			trans	71.3	130.4	163.6	71.3	0	0	0	0	118.3
900	S	28.3	Very low	30.2	Very low	100 Å²	100	119.1 Å²	119.1	70%	0.699	72%	0.722	S	S	*	*			trans	36.2	149.9	134.8	68.1	0	0	0	0	121.8
901	V	31.9	Very low	30.2	Very low	121 Å²	121	120.4 Å²	120.4	73%	0.733	73%	0.726	S	S	*	*			cis	-149.6	149.8	32.2	-131.7	0	0	0	0	112.9
902	D	28	Very low	30	Very low	135 Å²	135	121.8 Å²	121.8	72%	0.722	72%	0.72	S	S	*	*			trans	20.2	130.1	136.4	-79.6	-66.1	0	0	0	123
903	S	29.2	Very low	29.8	Very low	92 Å²	92	121.7 Å²	121.7	64%	0.643	72%	0.72	S	S	*	*				85.7	106.1	120.8	-75.3	0	0	0	0	122.6
904	T	28.9	Very low	29.4	Very low	128 Å²	128	119 Å²	119	79%	0.785	72%	0.72	S	S	*	*				81.9	138.3	106.8	-55.8	0	0	0	0	120.2
905	A	29.1	Very low	29.5	Very low	72 Å²	72	120.5 Å²	120.5	60%	0.595	72%	0.721	S	S	*	*			trans	61.6	119.9	161.6	0	0	0	0	0	117.5
906	N	32	Very low	29.2	Very low	133 Å²	133	124.4 Å²	124.4	71%	0.711	73%	0.73	S	S	*	*				-161.6	152.6	57.1	-89.9	-78.5	0	0	0	114.3
907	N	31.3	Very low	29.5	Very low	134 Å²	134	125 Å²	125	72%	0.717	73%	0.734	S	S	*	*			trans	6.6	126.7	132.5	-49.3	-63	0	0	0	116.5
908	A	29.8	Very low	29.6	Very low	89 Å²	89	123.8 Å²	123.8	74%	0.736	73%	0.733	S	S	*	*				62.5	148.2	55.5	0	0	0	0	0	113.9
909	P	36.4	Very low	30.5	Very low	108 Å²	108	123.6 Å²	123.6	70%	0.701	73%	0.731	S	S	*	*			cis	-136.2	-163.7	-11.7	36.5	-14.9	0	0	0	113.5
910	L	26.6	Very low	31.1	Very low	148 Å²	148	123.5 Å²	123.5	78%	0.775	73%	0.733	S	S	*	*			trans	44.9	115.3	143.5	-77.8	157.1	0	0	0	121.1
911	T	29.2	Very low	31.2	Very low	130 Å²	130	126 Å²	126	80%	0.798	73%	0.733	S	S	*	*				-175	107	123.2	19.8	0	0	0	0	109.3
912	T	26.8	Very low	31.5	Very low	102 Å²	102	127.8 Å²	127.8	63%	0.626	74%	0.738	S	S	*	*				71	120	95.6	60.4	0	0	0	0	117.4
913	N	27.3	Very low	31.6	Very low	143 Å²	143	127.3 Å²	127.3	77%	0.765	74%	0.735	S	S	*	*			trans	83.3	116	138.1	-61.4	-0.3	0	0	0	121.7
914	S	27.4	Very low	31.7	Very low	106 Å²	106	128.2 Å²	128.2	74%	0.741	74%	0.736	S	S	*	*				83.7	162.5	129.6	-60.8	0	0	0	0	120.5
915	E	31.8	Very low	31.8	Very low	184 Å²	184	127 Å²	127	86%	0.86	73%	0.734	S	S	*	*			trans	70.9	98.8	173.7	-50.7	-166.5	166.5	0	0	113.4
916	H	29.3	Very low	32	Very low	182 Å²	182	133.7 Å²	133.7	84%	0.843	74%	0.743	S	S	*	*			cis	75.1	143.3	46.2	-148.8	-76.2	0	0	0	112.2
917	V	35	Very low	32.2	Very low	128 Å²	128	133.1 Å²	133.1	78%	0.776	75%	0.747	S	S	*	*			trans	75.9	110.4	-162.3	-168.7	0	0	0	0	111.5
918	N	30.7	Very low	32.1	Very low	145 Å²	145	130.3 Å²	130.3	78%	0.775	73%	0.734	S	S	*	*			cis	85.1	159.5	32.8	-137.8	15.1	0	0	0	112.8
919	P	44.3	Very low	32.1	Very low	91 Å²	91	135.7 Å²	135.7	59%	0.591	74%	0.737	S	S	*	*				-118.7	-176.5	-102.9	40.9	-25.8	0	0	0	114
920	P	40.6	Very low	31.9	Very low	123 Å²	123	134.4 Å²	134.4	80%	0.799	74%	0.736	S	S	*	*				-129.2	154.5	100.6	6.9	15.1	0	0	0	113.2
921	H	30.2	Very low	32.2	Very low	151 Å²	151	132.6 Å²	132.6	70%	0.699	73%	0.732	S	S	*	*			cis	92.8	146.2	42.8	-143.8	-67.6	0	0	0	113
922	L	38.2	Very low	32.3	Very low	159 Å²	159	131.8 Å²	131.8	83%	0.832	73%	0.727	S	S	*	*			trans	81.2	96.5	-166.6	-53.1	168.7	0	0	0	113.5
923	D	29.9	Very low	32.5	Very low	126 Å²	126	132 Å²	132	67%	0.674	73%	0.73	S	S	*	*			cis	80.8	146.1	0.8	-155.4	23.7	0	0	0	120.1
924	V	30.1	Very low	32.5	Very low	110 Å²	110	132.3 Å²	132.3	67%	0.667	73%	0.73	S	S	*	*			trans	69.2	138.8	167.9	-114.2	0	0	0	0	124.2
925	S	32.6	Very low	32.4	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	73%	0.73	S	S	*	*			trans	71.5	110.9	152.9	-52.8	0	0	0	0	118
926	R	31.8	Very low	32.2	Very low	212 Å²	212	134.3 Å²	134.3	80%	0.8	72%	0.724	S	S	*	*			cis	68.2	104.9	14.7	-148.7	-162.3	-165.5	-172.3	7.5	116.5	V928	R926-V928 HydrophobicContact CG-CG2 3.78Å
927	P	38	Very low	32.1	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	72%	0.719	S	S	*	*				-108.2	137.5	125	33.2	-28.8	0	0	0	108.4
928	V	28.2	Very low	31.7	Very low	74 Å²	74	130.3 Å²	130.3	45%	0.448	72%	0.716	S	S	.	*			cis	54.6	113.7	34	-143.7	0	0	0	0	110.4	R926	R926-V928 HydrophobicContact CG-CG2 3.78Å
929	Y	29.2	Very low	31.6	Very low	203 Å²	203	130.9 Å²	130.9	80%	0.796	72%	0.718	S	S	*	*			cis	-143.5	169	41.1	-75.7	-100.6	0	0	0	109.7
930	A	33	Very low	30.8	Very low	81 Å²	81	132.8 Å²	132.8	67%	0.669	72%	0.723	S	S	*	*			cis	69.4	169	27.9	0	0	0	0	0	114.9
931	P	33.5	Very low	30.3	Very low	109 Å²	109	135.3 Å²	135.3	71%	0.708	72%	0.721	S	S	*	*				-82.8	-130.6	-81.2	28.6	-23.6	0	0	0	113.1
932	V	30.1	Very low	30.2	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.685	73%	0.726	S	S	*	*				-164.7	147.8	55.1	159.8	0	0	0	0	109.7	I934	V932-I934 HydrophobicContact CG1-CD1 4.44Å
933	P	31.7	Very low	29.9	Very low	107 Å²	107	133 Å²	133	70%	0.695	72%	0.719	S	S	*	*			trans	-88.3	151.8	175.8	35.2	-36.9	0	0	0	115.1
934	I	27.1	Very low	30	Very low	150 Å²	150	134 Å²	134	77%	0.769	72%	0.724	S	S	*	*			trans	-144.6	112.3	158.2	-81.7	108	0	0	0	105.6	V932	V932-I934 HydrophobicContact CG1-CD1 4.44Å
935	N	25.9	Very low	29.9	Very low	137 Å²	137	134.2 Å²	134.2	73%	0.733	73%	0.731	S	S	*	*				86.8	123.6	69.1	-98.9	-28.5	0	0	0	115.2
936	R	27.5	Very low	30	Very low	194 Å²	194	134.7 Å²	134.7	73%	0.732	73%	0.731	S	S	*	*			trans	71.6	125.3	145.8	-72.9	-172.9	145.6	152.8	3.8	122.5
937	E	26.8	Very low	29.8	Very low	159 Å²	159	132.4 Å²	132.4	74%	0.743	73%	0.73	S	S	*	*				60.2	117.2	124.6	-60.8	154	-165.4	0	0	120.3
938	G	27	Very low	29.5	Very low	68 Å²	68	138.3 Å²	138.3	70%	0.701	74%	0.737	S	S	*	*				113.7	110.1	127.5	0	0	0	0	0	119.6
939	L	26.9	Very low	29.5	Very low	156 Å²	156	138.2 Å²	138.2	82%	0.817	75%	0.751	S	S	*	*			trans	58.2	115.7	130.7	-63	163.3	0	0	0	121
940	N	27.4	Very low	29.7	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	75%	0.754	S	S	*	*				84.2	135.6	128.5	-73.9	-29	0	0	0	123.1
941	K	31.1	Very low	29.6	Very low	177 Å²	177	138.9 Å²	138.9	77%	0.77	76%	0.757	S	S	*	*			trans	79.3	96.2	147.2	-68.7	164.7	-177.1	-177.8	0	120.8
942	I	28.9	Very low	29.4	Very low	154 Å²	154	141.5 Å²	141.5	79%	0.79	76%	0.757	S	S	*	*				17.8	122.7	111.1	-61.5	162.4	0	0	0	115.5
943	P	31.4	Very low	29.6	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	76%	0.757	S	S	*	*				-146.8	128.7	110	34	-16.1	0	0	0	118.1
944	N	31.3	Very low	29.7	Very low	147 Å²	147	145.7 Å²	145.7	79%	0.786	76%	0.757	S	S	*	*				68.1	136.1	128.7	-54.6	-15.4	0	0	0	123.9
945	S	28.4	Very low	30	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	76%	0.759	S	S	*	*			trans	-83.6	168.1	171.1	-38.5	0	0	0	0	113.9
946	P	33.9	Very low	30.2	Very low	113 Å²	113	147.6 Å²	147.6	73%	0.734	76%	0.763	S	S	*	*				-147.2	174.3	110.8	38.4	-23.9	0	0	0	113.6
947	Q	29.3	Very low	30.3	Very low	165 Å²	165	144.6 Å²	144.6	77%	0.771	77%	0.766	S	S	*	*			cis	-170.6	171.5	-25.5	-100.7	-176.5	-0.7	0	0	108.3
948	R	31.5	Very low	30.4	Very low	244 Å²	244	142.6 Å²	142.6	92%	0.921	77%	0.765	S	S	*	*			trans	75.2	140.7	174.1	-44.5	175.7	-169.2	-151.5	0.6	113.9
949	G	28.2	Very low	30.3	Very low	72 Å²	72	145 Å²	145	74%	0.742	77%	0.771	S	S	*	*			cis	142.1	131.7	5.4	0	0	0	0	0	107.5
950	V	33.6	Very low	30.5	Very low	145 Å²	145	142.7 Å²	142.7	88%	0.879	76%	0.763	S	S	*	*				-154.5	174.9	61	165.6	0	0	0	0	110.5
951	E	29.4	Very low	30.6	Very low	153 Å²	153	142 Å²	142	72%	0.715	77%	0.769	S	S	*	*			trans	-102.2	-174.2	-161.4	-55.9	164.7	102.2	0	0	116.7
952	F	30.8	Very low	30.5	Very low	164 Å²	164	141.9 Å²	141.9	72%	0.719	77%	0.769	S	S	*	*			trans	85.4	145.3	163.9	-55.6	-68.5	0	0	0	118.2
953	H	34.6	Very low	30.4	Very low	148 Å²	148	141.7 Å²	141.7	69%	0.685	77%	0.769	S	S	*	*			cis	-146.6	160.4	2.1	-143.5	-81.8	0	0	0	114
954	K	32.3	Very low	30.5	Very low	160 Å²	160	147.2 Å²	147.2	70%	0.696	78%	0.776	S	S	*	*			trans	-47.8	151.5	-170.4	-55.9	169.3	-176.9	176	0	120.8
955	N	33.4	Very low	30.4	Very low	152 Å²	152	148.9 Å²	148.9	81%	0.813	78%	0.779	S	S	*	*				166.3	110.8	126.4	-81.2	-11.7	0	0	0	108
956	Q	30.1	Very low	30.6	Very low	175 Å²	175	148.2 Å²	148.2	82%	0.818	78%	0.781	S	S	*	*			cis	82.3	140.4	36.3	-159	176.9	61.9	0	0	115.2
957	V	29.2	Very low	30.5	Very low	131 Å²	131	151.2 Å²	151.2	79%	0.794	79%	0.785	S	S	*	*			trans	83.3	123.9	-179.3	-174.3	0	0	0	0	113.5
958	V	30.2	Very low	30.7	Very low	117 Å²	117	151.4 Å²	151.4	71%	0.709	79%	0.791	S	S	*	*			cis	-159.4	178	-22.9	79.6	0	0	0	0	109.4	T960	V958-T960 HydrophobicContact CG1-CG2 4.35Å
959	S	25.4	Very low	30.6	Very low	118 Å²	118	147.1 Å²	147.1	83%	0.825	79%	0.787	S	S	*	*			trans	-123.8	138.7	164.4	-51	0	0	0	0	110.5
960	T	30.9	Very low	31	Very low	108 Å²	108	149.9 Å²	149.9	66%	0.663	79%	0.792	S	S	*	*			trans	-131.1	103.8	175.4	46.5	0	0	0	0	112.3	V958 F962	V958-T960 HydrophobicContact CG1-CG2 4.35Å; T960-F962 HydrophobicContact CG2-CE2 4.42Å
961	S	27.8	Very low	31.1	Very low	118 Å²	118	148.3 Å²	148.3	83%	0.825	78%	0.784	S	S	*	*			trans	-74.8	132.4	156.2	45.3	0	0	0	0	109.4
962	F	30.6	Very low	31.3	Very low	174 Å²	174	148.8 Å²	148.8	76%	0.763	79%	0.791	S	S	*	*			trans	-119.7	101.3	170.6	-98.4	-82	0	0	0	110.6	T960	T960-F962 HydrophobicContact CG2-CE2 4.42Å
963	N	26.9	Very low	31.4	Very low	150 Å²	150	150.1 Å²	150.1	80%	0.802	80%	0.796	S	S	*	*			trans	-123.5	112.4	167.3	-173.5	-6.1	0	0	0	106.9
964	R	31.9	Very low	31.2	Very low	221 Å²	221	147.4 Å²	147.4	83%	0.834	79%	0.794	S	S	*	*			trans	-142.7	122.8	175.6	-84.9	-164.1	172.1	-159.2	-1.9	111.1
965	H	30.7	Very low	31.2	Very low	182 Å²	182	146.6 Å²	146.6	84%	0.843	80%	0.797	S	S	*	*			trans	-62.2	146.4	163.8	-65.1	-68.5	0	0	0	111.8
966	A	32.5	Very low	31.2	Very low	102 Å²	102	146.2 Å²	146.2	84%	0.843	79%	0.793	S	S	*	*			trans	-144.7	135	130.6	0	0	0	0	0	108.4
967	Q	31.6	Very low	31.3	Very low	177 Å²	177	143.9 Å²	143.9	83%	0.827	79%	0.786	S	S	*	*			trans	-87.3	149.7	171.3	-64.3	167.9	-26.9	0	0	109.1
968	N	33.6	Very low	31.5	Very low	168 Å²	168	142.8 Å²	142.8	90%	0.898	78%	0.782	S	S	*	*			trans	-176.4	118.8	141.8	-91.9	-28.7	0	0	0	111.3
969	N	28.7	Very low	31.7	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	78%	0.784	S	S	*	*			trans	-95.4	158.2	162	-82.9	-33.3	0	0	0	108.8
970	P	37.8	Very low	32.1	Very low	130 Å²	130	148.1 Å²	148.1	84%	0.844	78%	0.779	S	S	*	*				-147	155.5	99.1	37.2	-22	0	0	0	115.6
971	P	35.2	Very low	32.3	Very low	112 Å²	112	147.4 Å²	147.4	73%	0.727	78%	0.776	S	S	*	*			trans	-112.1	155.2	179.2	39.8	-32.5	0	0	0	115.5
972	L	33	Very low	32.6	Very low	163 Å²	163	149.4 Å²	149.4	85%	0.853	77%	0.773	S	S	*	*			trans	-137.5	131.6	160.1	-65.7	172.5	0	0	0	107
973	K	32.7	Very low	32.7	Very low	192 Å²	192	147.1 Å²	147.1	84%	0.835	77%	0.768	S	S	*	*				63.4	133.8	52.9	-72.8	-169.4	174.3	-177.9	0	113.5
974	S	30.2	Very low	33	Very low	90 Å²	90	146.7 Å²	146.7	63%	0.629	77%	0.765	S	S	*	*			cis	-176.9	-169.1	-9.1	45.4	0	0	0	0	109.6
975	L	32.3	Very low	33.1	Very low	144 Å²	144	143.1 Å²	143.1	75%	0.754	76%	0.759	S	S	*	*			trans	105.7	109	160.3	-52.4	165.7	0	0	0	114.9
976	I	34	Very low	33.3	Very low	144 Å²	144	141.1 Å²	141.1	74%	0.738	75%	0.75	S	S	*	*				96	136.6	94.8	-80.1	177.8	0	0	0	111.4
977	N	32	Very low	33.1	Very low	126 Å²	126	144 Å²	144	67%	0.674	75%	0.746	S	S	*	*			cis	-148.7	154.3	7.4	-142.7	9.8	0	0	0	112.8
978	P	34.5	Very low	33.2	Very low	108 Å²	108	141 Å²	141	70%	0.701	74%	0.742	S	S	*	*			trans	-128.6	124.6	171.1	36.6	-21	0	0	0	115.9
979	Y	33.8	Very low	33	Very low	192 Å²	192	137.3 Å²	137.3	75%	0.753	73%	0.734	S	S	*	*			trans	-158.7	148.1	173.9	-88.7	-93.1	0	0	0	108.2
980	E	33.4	Very low	33.1	Very low	155 Å²	155	134.7 Å²	134.7	72%	0.724	73%	0.728	S	S	*	*			cis	-154.2	-166.3	-16.8	-128.6	-156.7	101.5	0	0	108.3
981	P	36.2	Very low	32.9	Very low	93 Å²	93	134.7 Å²	134.7	60%	0.604	72%	0.721	S	S	*	*			trans	-132.1	-151.3	-141.6	40.7	-17.1	0	0	0	116.1
982	Q	33.8	Very low	32.7	Very low	160 Å²	160	135.8 Å²	135.8	75%	0.748	72%	0.721	S	S	*	*			trans	86.3	143.2	173.3	-47.2	178.2	33	0	0	114.5
983	N	33.1	Very low	32.6	Very low	126 Å²	126	135.4 Å²	135.4	67%	0.674	72%	0.719	S	S	*	*			cis	-157.9	166	8.9	-141	-30.4	0	0	0	112.8
984	I	33	Very low	32.6	Very low	141 Å²	141	131.8 Å²	131.8	72%	0.723	71%	0.713	S	S	*	*			trans	68.3	133.9	158.8	-63.9	160.5	0	0	0	117.6
985	M	32.2	Very low	32.6	Very low	146 Å²	146	135 Å²	135	72%	0.719	72%	0.724	S	S	*	*			cis	-161.6	145.8	-12.7	-110.4	167.5	68.6	0	0	110.8
986	H	35.5	Very low	32.5	Very low	139 Å²	139	135.6 Å²	135.6	64%	0.644	73%	0.727	S	S	*	*			trans	41.4	118.5	162.3	-57	-69.1	0	0	0	121.4
987	Q	29.6	Very low	32.8	Very low	162 Å²	162	138.2 Å²	138.2	76%	0.757	74%	0.736	S	S	*	*				85.2	151.3	58.7	-80.5	-177.2	-40.8	0	0	115.3
988	P	33.2	Very low	33.1	Very low	115 Å²	115	141.9 Å²	141.9	75%	0.747	75%	0.746	S	S	*	*			cis	-110.1	166.1	-4.5	44.5	-34.2	0	0	0	111.4
989	A	28.5	Very low	33.1	Very low	90 Å²	90	143.6 Å²	143.6	74%	0.744	75%	0.748	S	S	*	*			cis	63.6	131.9	44.6	0	0	0	0	0	113.8
990	S	31.7	Very low	33	Very low	100 Å²	100	144.2 Å²	144.2	70%	0.699	76%	0.755	S	S	*	*			cis	-143.1	-160.7	-8.5	57.9	0	0	0	0	108
991	D	33.4	Very low	33.4	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	74%	0.742	S	S	*	*			cis	-156.3	-161.2	14.8	-143.3	-75.7	0	0	0	111.9
992	N	30.4	Very low	33.2	Very low	134 Å²	134	140.1 Å²	140.1	72%	0.717	74%	0.744	S	S	*	*			trans	-87.6	148.5	-176.8	-57.8	-93.3	0	0	0	113.5
993	L	31.5	Very low	33.1	Very low	155 Å²	155	142.3 Å²	142.3	81%	0.812	75%	0.747	S	S	*	*				-168.8	150.3	122	-125.7	76	0	0	0	113.2
994	T	32.7	Very low	33.9	Very low	117 Å²	117	139 Å²	139	72%	0.718	73%	0.731	S	S	*	*			trans	26	128	155.4	49.5	0	0	0	0	121.9	D996	T994-D996 PolarHBondContact O-N 3.15Å
995	N	29.3	Very low	34.4	Very low	158 Å²	158	137.6 Å²	137.6	85%	0.845	72%	0.724	S	S	*	*	S	Bend	trans	-65.3	125	156.1	-65.7	-54.2	0	0	0	110.3
996	D	31.5	Very low	34.5	Very low	155 Å²	155	138.4 Å²	138.4	83%	0.829	72%	0.724	S	S	*	*			trans	-168.8	-18.3	149.9	-101.5	-27.2	0	0	0	114.6	T994 K998	T994-D996 PolarHBondContact O-N 3.15Å; D996-K998 PolarHBondContact O-N 3.34Å
997	E	38.6	Very low	34.8	Very low	200 Å²	200	134.8 Å²	134.8	94%	0.935	71%	0.714	S	S	*	*			trans	-88.3	39.1	-174.7	-61	-167.1	132.7	0	0	116.3
998	K	39	Very low	35.5	Very low	202 Å²	202	133.3 Å²	133.3	88%	0.878	71%	0.705	S	S	*	*			trans	-122.3	27.1	-176.2	-80.3	-173.6	177.5	172.8	0	116.2	D996	D996-K998 PolarHBondContact O-N 3.34Å
999	I	35.1	Very low	36.1	Very low	144 Å²	144	136.6 Å²	136.6	74%	0.738	70%	0.702	S	S	*	*	S	Bend	trans	-125.3	136.8	175.7	-48.3	-177.3	0	0	0	108.7
1000	F	31.3	Very low	36.4	Very low	205 Å²	205	135.8 Å²	135.8	90%	0.899	69%	0.69	S	S	*	*	S	Bend	trans	71.8	70.5	-173.1	-68.7	-83.8	0	0	0	118.4
1001	D	40.9	Very low	37.1	Very low	85 Å²	85	136.7 Å²	136.7	46%	0.455	68%	0.683	S	S	.	*			trans	-148.2	70.3	137.2	-164.8	-10.7	0	0	0	112.5	Y1003 T1004 I1005	D1001-Y1003 VanDerWaalsContact C-N 3.26Å; D1001-Y1003 PolarHBondContact O-N 2.93Å; D1001-Y1003 PolarHBondContact OD1-N 2.83Å; D1001-T1004 VanDerWaalsContact OD1-CB 3.31Å; D1001-T1004 WeakPolarHBondContact OD1-CB 3.31Å; D1001-T1004 PolarHBondContact OD1-N 2.75Å; D1001-T1004 PolarHBondContact OD1-OG1 2.58Å; D1001-T1004 VanDerWaalsContact OD1-OG1 3.14Å; D1001-T1004 WeakPolarHBondContact OD2-CB 3.37Å; D1001-T1004 PolarHBondContact OD2-OG1 3.23Å; D1001-I1005 WeakPolarHBondContact O-CG1 3.42Å
1002	A	32.3	Very low	37.8	Very low	77 Å²	77	136 Å²	136	64%	0.636	68%	0.679	S	S	*	*	H	α-helix	trans	-69.3	-23.4	177.7	0	0	0	0	0	113.3	F1006	A1002-F1006 PolarHBondContact O-N 2.98Å
1003	Y	32.3	Very low	38.5	Very low	207 Å²	207	136.2 Å²	136.2	81%	0.812	67%	0.674	S	S	*	*	H	α-helix	trans	-81.6	-43.5	-173.5	-131.9	-88.5	0	0	0	111.7	D1001 I1005 F1006 S1007	D1001-Y1003 VanDerWaalsContact C-N 3.26Å; D1001-Y1003 PolarHBondContact O-N 2.93Å; D1001-Y1003 PolarHBondContact OD1-N 2.83Å; Y1003-I1005 VanDerWaalsContact C-N 3.28Å; Y1003-I1005 PolarHBondContact O-N 2.7Å; Y1003-F1006 PolarHBondContact O-N 2.98Å; Y1003-S1007 PolarHBondContact O-N 3.28Å
1004	T	49.4	Very low	39.3	Very low	55 Å²	55	135.5 Å²	135.5	34%	0.337	66%	0.664	S	S	.	*	H	α-helix	trans	-62.4	-36.2	174	-64.4	0	0	0	0	111.8	D1001 K1008	D1001-T1004 VanDerWaalsContact OD1-CB 3.31Å; D1001-T1004 WeakPolarHBondContact OD1-CB 3.31Å; D1001-T1004 PolarHBondContact OD1-N 2.75Å; D1001-T1004 PolarHBondContact OD1-OG1 2.58Å; D1001-T1004 VanDerWaalsContact OD1-OG1 3.14Å; D1001-T1004 WeakPolarHBondContact OD2-CB 3.37Å; D1001-T1004 PolarHBondContact OD2-OG1 3.23Å; T1004-K1008 HydrophobicContact CG2-CD 3.83Å; T1004-K1008 HydrophobicContact CG2-CG 4.38Å; T1004-K1008 WeakPolarHBondContact O-CB 3.29Å; T1004-K1008 WeakPolarHBondContact O-CG 3.49Å; T1004-K1008 PolarHBondContact O-N 3.24Å
1005	I	44.4	Very low	40	Very low	113 Å²	113	132.4 Å²	132.4	58%	0.579	65%	0.651	S	S	*	*	H	α-helix	trans	-64.5	-44.2	175.7	-66	172.6	0	0	0	110.8	D1001 Y1003 R1009	D1001-I1005 WeakPolarHBondContact O-CG1 3.42Å; Y1003-I1005 VanDerWaalsContact C-N 3.28Å; Y1003-I1005 PolarHBondContact O-N 2.7Å; I1005-R1009 VanDerWaalsContact O-CB 3.24Å; I1005-R1009 WeakPolarHBondContact O-CB 3.48Å; I1005-R1009 PolarHBondContact O-N 2.91Å; I1005-R1009 VanDerWaalsContact O-N 3.1Å
1006	F	33.2	Very low	40.8	Very low	163 Å²	163	130.5 Å²	130.5	72%	0.715	64%	0.637	S	S	*	*	H	α-helix	trans	-68.1	-42.6	179	-114.9	-87.8	0	0	0	112.8	A1002 Y1003 R1009 C1010	A1002-F1006 PolarHBondContact O-N 2.98Å; Y1003-F1006 PolarHBondContact O-N 2.98Å; F1006-R1009 PolarHBondContact O-N 2.92Å; F1006-C1010 PolarHBondContact O-N 3.34Å; F1006-C1010 VanDerWaalsContact O-N 3.08Å
1007	S	43.6	Very low	41.4	Very low	62 Å²	62	131 Å²	131	43%	0.434	63%	0.631	S	S	.	*	H	α-helix	trans	-61.9	-53	178.5	-168.6	0	0	0	0	111.4	Y1003 R1009 C1010 E1011	Y1003-S1007 PolarHBondContact O-N 3.28Å; S1007-R1009 VanDerWaalsContact C-N 3.26Å; S1007-R1009 PolarHBondContact O-N 3.36Å; S1007-C1010 WeakPolarHBondContact O-CA 3.15Å; S1007-C1010 WeakPolarHBondContact O-CB 3.47Å; S1007-C1010 PolarHBondContact O-N 2.9Å; S1007-E1011 PolarHBondContact O-N 3.08Å
1008	K	43.8	Very low	41.6	Very low	131 Å²	131	128.8 Å²	128.8	57%	0.57	62%	0.621	S	S	*	*	H	α-helix	trans	-60.1	-33.5	177.8	-72.3	177.7	178	172.8	0	112.9	T1004 C1010 E1011 L1012	T1004-K1008 HydrophobicContact CG2-CD 3.83Å; T1004-K1008 HydrophobicContact CG2-CG 4.38Å; T1004-K1008 WeakPolarHBondContact O-CB 3.29Å; T1004-K1008 WeakPolarHBondContact O-CG 3.49Å; T1004-K1008 PolarHBondContact O-N 3.24Å; K1008-C1010 VanDerWaalsContact C-N 3.34Å; K1008-E1011 PolarHBondContact O-N 3.49Å; K1008-L1012 WeakPolarHBondContact O-CB 3.47Å; K1008-L1012 PolarHBondContact O-N 2.99Å
1009	R	44.6	Very low	41.5	Very low	185 Å²	185	123.1 Å²	123.1	70%	0.698	61%	0.607	S	S	*	*	H	α-helix	trans	-72.6	-25.5	176.3	-164.2	170.4	-176.1	129.7	-2.3	112.8	I1005 F1006 S1007	I1005-R1009 VanDerWaalsContact O-CB 3.24Å; I1005-R1009 WeakPolarHBondContact O-CB 3.48Å; I1005-R1009 PolarHBondContact O-N 2.91Å; I1005-R1009 VanDerWaalsContact O-N 3.1Å; F1006-R1009 PolarHBondContact O-N 2.92Å; S1007-R1009 VanDerWaalsContact C-N 3.26Å; S1007-R1009 PolarHBondContact O-N 3.36Å
1010	C	36.4	Very low	41.4	Very low	73 Å²	73	126 Å²	126	49%	0.493	61%	0.609	S	S	.	*	H	α-helix	trans	-76.3	-43.9	170.8	-162.6	0	0	0	0	111.6	F1006 S1007 K1008 K1013 K1014	F1006-C1010 PolarHBondContact O-N 3.34Å; F1006-C1010 VanDerWaalsContact O-N 3.08Å; S1007-C1010 WeakPolarHBondContact O-CA 3.15Å; S1007-C1010 WeakPolarHBondContact O-CB 3.47Å; S1007-C1010 PolarHBondContact O-N 2.9Å; K1008-C1010 VanDerWaalsContact C-N 3.34Å; C1010-K1013 PolarHBondContact O-N 3.22Å; C1010-K1014 PolarHBondContact O-N 3.35Å
1011	E	45.9	Very low	41.4	Very low	118 Å²	118	123 Å²	123	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-63.5	-41.3	176.1	-68.7	-173.1	153.6	0	0	112.6	S1007 K1008 K1013 K1014 A1015	S1007-E1011 PolarHBondContact O-N 3.08Å; K1008-E1011 PolarHBondContact O-N 3.49Å; E1011-K1013 VanDerWaalsContact C-N 3.31Å; E1011-K1013 PolarHBondContact O-N 2.89Å; E1011-K1014 CarbonylContact O-C 3.59Å; E1011-K1014 WeakPolarHBondContact O-CA 3.12Å; E1011-K1014 WeakPolarHBondContact O-CB 3.43Å; E1011-K1014 PolarHBondContact O-N 3.2Å; E1011-A1015 PolarHBondContact O-N 2.95Å
1012	L	48.5	Very low	41	Very low	118 Å²	118	128.6 Å²	128.6	62%	0.618	62%	0.621	S	S	*	*	H	α-helix	trans	-56.2	-42.8	172.4	-92.5	159.1	0	0	0	112.2	K1008 K1014 A1015 Q1016	K1008-L1012 WeakPolarHBondContact O-CB 3.47Å; K1008-L1012 PolarHBondContact O-N 2.99Å; L1012-K1014 PolarHBondContact O-N 3.25Å; L1012-A1015 PolarHBondContact O-N 2.92Å; L1012-Q1016 WeakPolarHBondContact O-CB 3.34Å; L1012-Q1016 PolarHBondContact O-N 3.47Å
1013	K	45.4	Very low	41.1	Very low	138 Å²	138	131 Å²	131	60%	0.6	63%	0.628	S	S	*	*	H	α-helix	trans	-67	-19.9	174.5	-84.2	-165.7	171.5	-169.9	0	113.5	E229 C1010 E1011	E229-K1013 IonicContact OE1-NZ 3.16Å; C1010-K1013 PolarHBondContact O-N 3.22Å; E1011-K1013 VanDerWaalsContact C-N 3.31Å; E1011-K1013 PolarHBondContact O-N 2.89Å
1014	K	46.9	Very low	41.2	Very low	139 Å²	139	123.4 Å²	123.4	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-84.2	-49.2	171.7	-68.4	178.4	-179.9	176	0	111.6	C1010 E1011 L1012 Q1016 K1017 Q1018	C1010-K1014 PolarHBondContact O-N 3.35Å; E1011-K1014 CarbonylContact O-C 3.59Å; E1011-K1014 WeakPolarHBondContact O-CA 3.12Å; E1011-K1014 WeakPolarHBondContact O-CB 3.43Å; E1011-K1014 PolarHBondContact O-N 3.2Å; L1012-K1014 PolarHBondContact O-N 3.25Å; K1014-Q1016 VanDerWaalsContact C-N 3.34Å; K1014-Q1016 PolarHBondContact O-N 3.44Å; K1014-K1017 WeakPolarHBondContact O-CB 3.42Å; K1014-K1017 PolarHBondContact O-N 3.06Å; K1014-K1017 VanDerWaalsContact O-N 3.08Å; K1014-Q1018 PolarHBondContact O-N 3.03Å
1015	A	48.6	Very low	40.3	Very low	53 Å²	53	130.8 Å²	130.8	44%	0.438	63%	0.625	S	S	.	*	H	α-helix	trans	-63	-37.6	178.9	0	0	0	0	0	112.7	E1011 L1012 K1017 Q1018 S1019	E1011-A1015 PolarHBondContact O-N 2.95Å; L1012-A1015 PolarHBondContact O-N 2.92Å; A1015-K1017 VanDerWaalsContact C-N 3.25Å; A1015-K1017 PolarHBondContact O-N 2.85Å; A1015-Q1018 PolarHBondContact O-N 3.47Å; A1015-Q1018 VanDerWaalsContact O-N 3.17Å; A1015-S1019 PolarHBondContact O-N 3.04Å; A1015-S1019 PolarHBondContact O-OG 3.03Å
1016	Q	45.5	Very low	39.6	Very low	118 Å²	118	129.4 Å²	129.4	55%	0.551	61%	0.614	S	S	*	*	H	α-helix	trans	-67.1	-24	175.4	-165.3	174.5	20	0	0	112.7	L1012 K1014 S1019	L1012-Q1016 WeakPolarHBondContact O-CB 3.34Å; L1012-Q1016 PolarHBondContact O-N 3.47Å; K1014-Q1016 VanDerWaalsContact C-N 3.34Å; K1014-Q1016 PolarHBondContact O-N 3.44Å; Q1016-S1019 PolarHBondContact O-OG 2.93Å
1017	K	44.3	Very low	39.4	Very low	164 Å²	164	128.8 Å²	128.8	71%	0.713	61%	0.611	S	S	*	*	H	α-helix	trans	-77.1	-28.9	171.2	-81	-172.4	170.7	-167.1	0	113.5	K1014 A1015	K1014-K1017 WeakPolarHBondContact O-CB 3.42Å; K1014-K1017 PolarHBondContact O-N 3.06Å; K1014-K1017 VanDerWaalsContact O-N 3.08Å; A1015-K1017 VanDerWaalsContact C-N 3.25Å; A1015-K1017 PolarHBondContact O-N 2.85Å
1018	Q	42.8	Very low	38.7	Very low	155 Å²	155	136.5 Å²	136.5	72%	0.724	63%	0.63	S	S	*	*	H	α-helix	trans	-85.6	-22	-177.7	-72.4	176.3	-37.8	0	0	113.6	K1014 A1015	K1014-Q1018 PolarHBondContact O-N 3.03Å; A1015-Q1018 PolarHBondContact O-N 3.47Å; A1015-Q1018 VanDerWaalsContact O-N 3.17Å
1019	S	36.9	Very low	38.1	Very low	83 Å²	83	142 Å²	142	58%	0.58	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-13.1	-174.1	40.6	0	0	0	0	115.5	A1015 Q1016 I1021	A1015-S1019 PolarHBondContact O-N 3.04Å; A1015-S1019 PolarHBondContact O-OG 3.03Å; Q1016-S1019 PolarHBondContact O-OG 2.93Å; S1019-I1021 PolarHBondContact O-N 2.92Å
1020	W	31.7	Very low	37.5	Very low	205 Å²	205	136 Å²	136	78%	0.777	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	9.2	-172.6	-79.8	62.9	0	0	0	115.1	K1022	W1020-K1022 VanDerWaalsContact C-N 3.3Å; W1020-K1022 PolarHBondContact O-N 3.44Å
1021	I	32.3	Very low	37.2	Very low	142 Å²	142	140.1 Å²	140.1	73%	0.728	66%	0.657	S	S	*	*			trans	-84.4	71.2	174.6	-50.1	179.9	0	0	0	110.3	S1019	S1019-I1021 PolarHBondContact O-N 2.92Å
1022	K	32.5	Very low	36.6	Very low	202 Å²	202	145 Å²	145	88%	0.878	67%	0.67	S	S	*	*			trans	-167	129.3	155.1	-100.2	138.2	-169.9	176.3	0	110.9	W1020	W1020-K1022 VanDerWaalsContact C-N 3.3Å; W1020-K1022 PolarHBondContact O-N 3.44Å
1023	T	33.4	Very low	35.7	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	66%	0.659	S	S	*	*			trans	-102.4	-172.7	-176.7	54.1	0	0	0	0	109.2
1024	P	34.4	Very low	35	Very low	47 Å²	47	141.6 Å²	141.6	31%	0.305	66%	0.664	S	S	.	*			cis	-144.8	156.2	7.7	37	-14.7	0	0	0	120.2	Y1026	P1024-Y1026 HydrophobicContact CB-CE2 4.41Å; P1024-Y1026 HydrophobicContact CG-CE2 3.93Å; P1024-Y1026 WeakPolarHBondContact O-CD2 3.2Å; P1024-Y1026 WeakPolarHBondContact O-CE2 3.32Å
1025	R	31	Very low	34.2	Very low	209 Å²	209	137.5 Å²	137.5	79%	0.789	65%	0.65	S	S	*	*			trans	66	169.3	138.6	-67.5	173.2	-177.8	169.7	0.6	117
1026	Y	30.2	Very low	33.4	Very low	85 Å²	85	140.7 Å²	140.7	33%	0.333	66%	0.66	S	S	.	*				174.3	0	68.9	-87.7	-77.1	0	0	0	114.8	S275 F276 P1024	S275-Y1026 VanDerWaalsContact C-CD1 3.48Å; S275-Y1026 WeakPolarHBondContact O-CD1 3.4Å; S275-Y1026 WeakPolarHBondContact O-CE1 3.45Å; F276-Y1026 WeakPolarHBondContact CD1-O 3.49Å; F276-Y1026 AromaticContact CD2-CD1 3.62Å; F276-Y1026 HydrophobicContact CD2-CD1 3.62Å; F276-Y1026 AromaticContact CD2-CG 3.83Å; F276-Y1026 HydrophobicContact CD2-CG 3.83Å; F276-Y1026 WeakPolarHBondContact CD2-O 3.21Å; F276-Y1026 WeakPolarHBondContact CE1-O 3.38Å; F276-Y1026 WeakPolarHBondContact CE2-O 3.46Å; F276-Y1026 HydrophobicContact CG-CG 4.4Å; F276-Y1026 WeakPolarHBondContact CG-O 3.27Å; F276-Y1026 WeakPolarHBondContact CZ-O 3.09Å; F276-Y1026 VanDerWaalsContact N-CD1 3.33Å; P1024-Y1026 HydrophobicContact CB-CE2 4.41Å; P1024-Y1026 HydrophobicContact CG-CE2 3.93Å; P1024-Y1026 WeakPolarHBondContact O-CD2 3.2Å; P1024-Y1026 WeakPolarHBondContact O-CE2 3.32Å
1027	F	29.1	Very low	32.8	Very low	150 Å²	150	140.9 Å²	140.9	66%	0.658	66%	0.661	S	S	*	*				0	120.8	0	-54	-21.4	0	0	0	124.8	F276	F276-F1027 HydrophobicContact CB-CB 3.7Å; F276-F1027 HydrophobicContact CB-CD1 4.1Å; F276-F1027 HydrophobicContact CB-CD2 3.35Å; F276-F1027 HydrophobicContact CB-CE2 3.94Å; F276-F1027 HydrophobicContact CB-CG 3.42Å; F276-F1027 VanDerWaalsContact CB-CG 3.42Å; F276-F1027 HydrophobicContact CD1-CB 3.21Å; F276-F1027 HydrophobicContact CD1-CG 4.09Å; F276-F1027 WeakPolarHBondContact CD1-O 3.3Å; F276-F1027 HydrophobicContact CD2-CB 3.98Å; F276-F1027 AromaticContact CD2-CD1 3.45Å; F276-F1027 HydrophobicContact CD2-CD1 3.45Å; F276-F1027 VanDerWaalsContact CD2-CD1 3.45Å; F276-F1027 HydrophobicContact CD2-CE1 4.06Å; F276-F1027 AromaticContact CD2-CG 3.73Å; F276-F1027 HydrophobicContact CD2-CG 3.73Å; F276-F1027 HydrophobicContact CE1-CB 4.02Å; F276-F1027 WeakPolarHBondContact CE1-O 3.37Å; F276-F1027 HydrophobicContact CE2-CD1 4.31Å; F276-F1027 HydrophobicContact CG-CB 3.22Å; F276-F1027 AromaticContact CG-CD1 3.79Å; F276-F1027 HydrophobicContact CG-CD1 3.79Å; F276-F1027 AromaticContact CG-CD2 3.85Å; F276-F1027 HydrophobicContact CG-CD2 3.85Å; F276-F1027 AromaticContact CG-CG 3.32Å; F276-F1027 HydrophobicContact CG-CG 3.32Å
1028	R	28.9	Very low	32.1	Very low	223 Å²	223	136.7 Å²	136.7	84%	0.842	66%	0.664	S	S	*	*			cis	64	94	21.9	-163.3	-137.7	-91.2	-129.6	0.6	117.9
1029	R	30.9	Very low	31.5	Very low	248 Å²	248	134.5 Å²	134.5	94%	0.936	67%	0.666	S	S	*	*			trans	175.7	155.2	132.8	-99.3	174.4	-177.8	-152.2	0.7	110.1
1030	G	31.1	Very low	31.1	Very low	59 Å²	59	134.9 Å²	134.9	61%	0.608	67%	0.674	S	S	*	*			cis	166.2	-165.3	-2.9	0	0	0	0	0	112.8
1031	M	31.6	Very low	31	Very low	159 Å²	159	131.1 Å²	131.1	78%	0.783	67%	0.674	S	S	*	*			trans	79	151.1	-179.3	-47.6	-61.2	-171.6	0	0	115.9
1032	R	31.4	Very low	30.8	Very low	219 Å²	219	131.8 Å²	131.8	83%	0.826	68%	0.679	S	S	*	*			cis	-169.7	161.3	-40.7	-125.8	-172.3	-89.8	-136	4.9	106.9
1033	G	30.3	Very low	30.6	Very low	37 Å²	37	126.9 Å²	126.9	38%	0.381	67%	0.67	S	S	.	*			cis	-164.7	-147.8	5.5	0	0	0	0	0	113.4	K314	K314-G1033 WeakPolarHBondContact CE-O 3.46Å; K314-G1033 PolarHBondContact NZ-O 3.36Å
1034	E	30.8	Very low	30.5	Very low	149 Å²	149	129 Å²	129	70%	0.696	67%	0.671	S	S	*	*			trans	31.7	118.8	168.8	-71.1	89.3	-90.1	0	0	120.9	K314	K314-E1034 WeakPolarHBondContact CE-O 3.48Å; K314-E1034 PolarHBondContact NZ-O 3.5Å
1035	V	30.9	Very low	30.1	Very low	53 Å²	53	137.2 Å²	137.2	32%	0.321	70%	0.702	S	S	.	*			cis	65.3	138.1	32.8	-98.2	0	0	0	0	114.9	Y309 K314	Y309-V1035 HydrophobicContact CE2-CG1 3.61Å; Y309-V1035 WeakPolarHBondContact OH-CG1 3.45Å; K314-V1035 HydrophobicContact CB-CG1 3.79Å; K314-V1035 HydrophobicContact CG-CG1 4.19Å
1036	N	32	Very low	30.3	Very low	119 Å²	119	135.7 Å²	135.7	64%	0.636	70%	0.703	S	S	*	*			cis	-142.2	157.8	26.3	-89.1	-57	0	0	0	116.7
1037	Q	32.2	Very low	30.4	Very low	123 Å²	123	138.2 Å²	138.2	58%	0.575	72%	0.722	S	S	*	*				23	150.3	129.5	-44.6	177.2	49.9	0	0	120.3
1038	G	29.2	Very low	30.5	Very low	76 Å²	76	136.7 Å²	136.7	78%	0.784	73%	0.73	S	S	*	*			cis	158.4	178.5	6.2	0	0	0	0	0	109.8
1039	S	29.9	Very low	30.8	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	73%	0.732	S	S	*	*			cis	-171.3	139.1	-15.6	-169.9	0	0	0	0	111.8
1040	A	28.7	Very low	30.9	Very low	91 Å²	91	124.7 Å²	124.7	75%	0.752	73%	0.725	S	S	*	*			trans	65.5	161.9	167	0	0	0	0	0	118.7
1041	T	29.3	Very low	31.4	Very low	127 Å²	127	133.1 Å²	133.1	78%	0.779	74%	0.739	S	S	*	*			cis	-143.2	150.9	14.7	52.9	0	0	0	0	115
1042	N	28.3	Very low	31.7	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	74%	0.743	S	S	*	*			trans	12.2	146.6	147.3	-60	-15	0	0	0	121.3
1043	S	29.3	Very low	32	Very low	98 Å²	98	132.9 Å²	132.9	69%	0.685	74%	0.739	S	S	*	*				-170.4	162.3	52.4	62.9	0	0	0	0	117.2
1044	H	30.5	Very low	32.2	Very low	174 Å²	174	135 Å²	135	81%	0.806	75%	0.748	S	S	*	*			trans	58.7	122.3	155.9	-70.2	-60.1	0	0	0	123.4
1045	F	26.4	Very low	32.7	Very low	218 Å²	218	131 Å²	131	96%	0.956	74%	0.74	S	S	*	*			trans	-145.6	168.1	145.7	-109.6	-81.5	0	0	0	110.8
1046	H	35.9	Very low	33.3	Very low	177 Å²	177	132.2 Å²	132.2	82%	0.819	74%	0.744	S	S	*	*			trans	-119	165	-168.3	-140.4	-111.4	0	0	0	114.2
1047	N	30.9	Very low	33.5	Very low	138 Å²	138	128.4 Å²	128.4	74%	0.738	73%	0.729	S	S	*	*			trans	-69.5	152.6	-161.4	-62.6	-48.1	0	0	0	117.7
1048	S	31.7	Very low	34.1	Very low	118 Å²	118	128.8 Å²	128.8	83%	0.825	74%	0.735	S	S	*	*			trans	-161.9	92.5	143.4	48.5	0	0	0	0	114
1049	T	34.3	Very low	34.6	Very low	141 Å²	141	134.1 Å²	134.1	87%	0.865	74%	0.737	S	S	*	*			trans	-134.4	97	177.2	48.7	0	0	0	0	111.7
1050	G	33.6	Very low	35.1	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	73%	0.732	S	S	*	*			trans	-144	6.1	-174.8	0	0	0	0	0	117.3
1051	R	42.7	Very low	35.3	Very low	237 Å²	237	133.6 Å²	133.6	89%	0.894	73%	0.728	S	S	*	*	S	Bend	trans	-114.6	-16.8	180	-64.2	-169.4	-172.6	-177.8	3.1	115.5	L1053	R1051-L1053 VanDerWaalsContact C-N 3.31Å; R1051-L1053 PolarHBondContact O-N 3.03Å
1052	R	37.3	Very low	35.8	Very low	230 Å²	230	132.5 Å²	132.5	87%	0.868	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-12.1	-171.9	-98.6	-175.6	170.8	-178.6	-4	115.9	I1056	R1052-I1056 WeakPolarHBondContact O-CD1 3.47Å
1053	L	36.9	Very low	36.1	Very low	142 Å²	142	132.6 Å²	132.6	74%	0.743	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-29.7	-174.9	-68.7	170.4	0	0	0	113.7	R1051 I1056 A1057	R1051-L1053 VanDerWaalsContact C-N 3.31Å; R1051-L1053 PolarHBondContact O-N 3.03Å; L1053-I1056 PolarHBondContact O-N 2.87Å; L1053-A1057 PolarHBondContact O-N 3.05Å
1054	S	36.1	Very low	36.4	Very low	81 Å²	81	134.9 Å²	134.9	57%	0.566	72%	0.721	S	S	*	*	H	α-helix	trans	-62.5	-51	-176.4	-150.7	0	0	0	0	111.9	I1056 A1057 D1058	S1054-I1056 PolarHBondContact O-N 3.23Å; S1054-A1057 WeakPolarHBondContact O-CB 3.48Å; S1054-A1057 PolarHBondContact O-N 2.77Å; S1054-D1058 PolarHBondContact O-N 3.43Å
1055	A	40	Very low	36.5	Very low	65 Å²	65	131.4 Å²	131.4	54%	0.537	71%	0.714	S	S	.	*	H	α-helix	trans	-64.9	-11.8	-178.6	0	0	0	0	0	114.5
1056	I	43.1	Very low	36.8	Very low	79 Å²	79	127.4 Å²	127.4	41%	0.405	71%	0.71	S	S	.	*	H	α-helix	trans	-87.3	-29.4	174.7	-60.2	174.1	0	0	0	110.5	R1052 L1053 S1054 L1060	R1052-I1056 WeakPolarHBondContact O-CD1 3.47Å; L1053-I1056 PolarHBondContact O-N 2.87Å; S1054-I1056 PolarHBondContact O-N 3.23Å; I1056-L1060 HydrophobicContact CG2-CD1 4.09Å; I1056-L1060 WeakPolarHBondContact O-CD1 3.02Å; I1056-L1060 WeakPolarHBondContact O-CG 3.4Å
1057	A	37.7	Very low	36.7	Very low	39 Å²	39	124.6 Å²	124.6	32%	0.322	71%	0.705	S	S	.	*	H	α-helix	trans	-67.8	-46.9	174.7	0	0	0	0	0	111.3	L1053 S1054 F1059 L1060	L1053-A1057 PolarHBondContact O-N 3.05Å; S1054-A1057 WeakPolarHBondContact O-CB 3.48Å; S1054-A1057 PolarHBondContact O-N 2.77Å; A1057-F1059 PolarHBondContact O-N 3.21Å; A1057-L1060 PolarHBondContact O-N 3.19Å; A1057-L1060 VanDerWaalsContact O-N 3.1Å
1058	D	43.8	Very low	36.6	Very low	131 Å²	131	127 Å²	127	70%	0.701	71%	0.712	S	S	*	*	H	α-helix	trans	-56.6	-36.9	176.8	-61.6	-47.8	0	0	0	112.1	S1054 L1060	S1054-D1058 PolarHBondContact O-N 3.43Å; D1058-L1060 VanDerWaalsContact C-N 3.3Å; D1058-L1060 PolarHBondContact O-N 2.76Å
1059	F	40.7	Very low	36.5	Very low	189 Å²	189	132.8 Å²	132.8	83%	0.829	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-15.1	-178.3	-140.2	-91.9	0	0	0	114.2	A1057	A1057-F1059 PolarHBondContact O-N 3.21Å
1060	L	39.4	Very low	36.4	Very low	123 Å²	123	135.3 Å²	135.3	64%	0.644	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-2.5	-175.5	-69.2	173.1	0	0	0	113.9	I1056 A1057 D1058 V1062	I1056-L1060 HydrophobicContact CG2-CD1 4.09Å; I1056-L1060 WeakPolarHBondContact O-CD1 3.02Å; I1056-L1060 WeakPolarHBondContact O-CG 3.4Å; A1057-L1060 PolarHBondContact O-N 3.19Å; A1057-L1060 VanDerWaalsContact O-N 3.1Å; D1058-L1060 VanDerWaalsContact C-N 3.3Å; D1058-L1060 PolarHBondContact O-N 2.76Å; L1060-V1062 HydrophobicContact CB-CG2 4.09Å; L1060-V1062 PolarHBondContact O-N 3.12Å
1061	G	33	Very low	36.2	Very low	65 Å²	65	142.1 Å²	142.1	67%	0.67	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.1	19.6	178.5	0	0	0	0	0	114.3	N1063	G1061-N1063 PolarHBondContact O-N 3.39Å
1062	V	39.6	Very low	35.6	Very low	104 Å²	104	136.8 Å²	136.8	63%	0.63	71%	0.71	S	S	*	*			trans	-88.7	97.5	177.5	-174.5	0	0	0	0	107.9	L1060 E1064	L1060-V1062 HydrophobicContact CB-CG2 4.09Å; L1060-V1062 PolarHBondContact O-N 3.12Å; V1062-E1064 PolarHBondContact O-N 2.85Å
1063	N	35	Very low	35.2	Very low	157 Å²	157	133.2 Å²	133.2	84%	0.84	70%	0.702	S	S	*	*			trans	-58.7	108.5	178.1	-70.9	-28.6	0	0	0	110.6	G1061	G1061-N1063 PolarHBondContact O-N 3.39Å
1064	E	35.5	Very low	34.7	Very low	147 Å²	147	132.4 Å²	132.4	69%	0.687	70%	0.704	S	S	*	*			trans	-67.7	129.5	172.6	-169.4	173.2	-146	0	0	109.4	V1062	V1062-E1064 PolarHBondContact O-N 2.85Å
1065	P	32.6	Very low	34.5	Very low	101 Å²	101	133.4 Å²	133.4	66%	0.656	71%	0.711	S	S	*	*			trans	-66.4	142.2	178.1	27.5	-34	0	0	0	110.2	T1067	P1065-T1067 PolarHBondContact O-N 3.13Å
1066	P	33.2	Very low	34.1	Very low	133 Å²	133	137.7 Å²	137.7	86%	0.864	72%	0.724	S	S	*	*			trans	-65.4	105.5	-172.3	26.2	-34.6	0	0	0	111.2
1067	T	33	Very low	33.3	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.724	75%	0.745	S	S	*	*			trans	-66	134	176.9	27.6	0	0	0	0	111	P1065 R1069	P1065-T1067 PolarHBondContact O-N 3.13Å; T1067-R1069 PolarHBondContact O-N 3Å; T1067-R1069 VanDerWaalsContact O-N 3.17Å
1068	E	29.3	Very low	32.9	Very low	188 Å²	188	146.4 Å²	146.4	88%	0.879	77%	0.766	S	S	*	*			trans	-58.9	120.7	-178.6	-68.4	-168.5	117	0	0	111.8	K1070	E1068-K1070 PolarHBondContact O-N 3.49Å
1069	R	30	Very low	32.3	Very low	241 Å²	241	148.3 Å²	148.3	91%	0.909	77%	0.771	S	S	*	*			trans	-65.8	95.5	168	-72.2	-175.7	177.4	-179.6	-0.3	109.4	T1067 R1071	T1067-R1069 PolarHBondContact O-N 3Å; T1067-R1069 VanDerWaalsContact O-N 3.17Å; R1069-R1071 PolarHBondContact O-N 3.47Å
1070	K	32	Very low	31.8	Very low	193 Å²	193	143.5 Å²	143.5	84%	0.839	76%	0.76	S	S	*	*			trans	-49	110.5	166.3	-77.8	-175.6	175.9	177.9	0	109.3	E1068 V1072	E1068-K1070 PolarHBondContact O-N 3.49Å; K1070-V1072 PolarHBondContact O-N 2.74Å
1071	R	29.2	Very low	31.3	Very low	222 Å²	222	146 Å²	146	84%	0.838	77%	0.768	S	S	*	*			trans	-68	95.7	174.6	-68.4	-174.9	-174.6	174.4	2.9	109.4	R1069 H1073	R1069-R1071 PolarHBondContact O-N 3.47Å; R1071-H1073 PolarHBondContact O-N 3.2Å
1072	V	29.2	Very low	31.3	Very low	124 Å²	124	148.2 Å²	148.2	75%	0.752	77%	0.771	S	S	*	*			trans	-67.4	112.1	160.4	178.8	0	0	0	0	106.8	K1070 T1074	K1070-V1072 PolarHBondContact O-N 2.74Å; V1072-T1074 PolarHBondContact O-N 3.44Å
1073	H	30.5	Very low	30.8	Very low	155 Å²	155	147.6 Å²	147.6	72%	0.718	78%	0.776	S	S	*	*			trans	-73.5	97.2	177.1	-95	-89.8	0	0	0	110.4	R1071 S1075	R1071-H1073 PolarHBondContact O-N 3.2Å; H1073-S1075 VanDerWaalsContact C-N 3.29Å; H1073-S1075 PolarHBondContact O-N 3.26Å; H1073-S1075 VanDerWaalsContact O-N 3.1Å
1074	T	26.8	Very low	30.7	Very low	126 Å²	126	146 Å²	146	77%	0.773	78%	0.777	S	S	*	*			trans	-77.6	80.4	162.7	52.7	0	0	0	0	109.5	V1072	V1072-T1074 PolarHBondContact O-N 3.44Å
1075	S	31.5	Very low	30.4	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-94	119.6	165.8	50.3	0	0	0	0	109.3	H1073	H1073-S1075 VanDerWaalsContact C-N 3.29Å; H1073-S1075 PolarHBondContact O-N 3.26Å; H1073-S1075 VanDerWaalsContact O-N 3.1Å
1076	N	30.9	Very low	30.5	Very low	155 Å²	155	148.8 Å²	148.8	83%	0.829	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-69	151.2	-174.4	-65.5	-34.5	0	0	0	112.7
1077	N	27.5	Very low	30.8	Very low	157 Å²	157	147.5 Å²	147.5	84%	0.84	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.5	139.1	169.1	-63.9	-55.1	0	0	0	111.3
1078	L	29.3	Very low	30.9	Very low	145 Å²	145	150.7 Å²	150.7	76%	0.759	78%	0.783	S	S	*	*			trans	-157.8	141.7	135.8	-133.7	70.1	0	0	0	109.9
1079	E	30	Very low	31.2	Very low	171 Å²	171	148.8 Å²	148.8	80%	0.799	77%	0.773	S	S	*	*			trans	61.4	146.8	162.6	-63.7	160.7	126.1	0	0	119.6
1080	S	29.4	Very low	31.2	Very low	87 Å²	87	140.7 Å²	140.7	61%	0.608	75%	0.754	S	S	*	*			cis	-166.1	141	-28.6	63.4	0	0	0	0	111.5
1081	H	30.9	Very low	31.3	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.815	75%	0.753	S	S	*	*			trans	66.6	170.8	157.4	-57.3	-54.7	0	0	0	117.7
1082	P	32.9	Very low	31.4	Very low	111 Å²	111	136 Å²	136	72%	0.721	75%	0.749	S	S	*	*				-142	172.5	-91.6	38.4	-16.6	0	0	0	118.1
1083	A	28	Very low	31.5	Very low	91 Å²	91	134.6 Å²	134.6	75%	0.752	74%	0.744	S	S	*	*			trans	51.9	122	144.1	0	0	0	0	0	122.4
1084	S	33.5	Very low	31.7	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	75%	0.746	S	S	*	*				-161.3	154.3	125.8	10.9	0	0	0	0	110.9
1085	N	29.4	Very low	32.1	Very low	151 Å²	151	132.4 Å²	132.4	81%	0.807	74%	0.737	S	S	*	*			trans	-107.3	160	-173.5	-55.8	-66.5	0	0	0	112.1
1086	L	33.7	Very low	32.2	Very low	156 Å²	156	135.4 Å²	135.4	82%	0.817	74%	0.737	S	S	*	*				179.6	143.4	112.9	-93.1	161.9	0	0	0	112.3
1087	P	38.9	Very low	32.4	Very low	106 Å²	106	135.1 Å²	135.1	69%	0.688	73%	0.731	S	S	*	*			trans	-105.4	-164.9	172.5	39.9	-30.4	0	0	0	111.7
1088	Y	35.2	Very low	32.6	Very low	186 Å²	186	135.6 Å²	135.6	73%	0.729	73%	0.728	S	S	*	*				178.9	134.4	128	-111.2	-125.4	0	0	0	114.7
1089	H	35.5	Very low	33.1	Very low	147 Å²	147	133 Å²	133	68%	0.681	72%	0.719	S	S	*	*			trans	41.7	159.6	140.7	-73.3	-16	0	0	0	126.3
1090	S	30.9	Very low	33.2	Very low	72 Å²	72	132 Å²	132	50%	0.503	72%	0.719	S	S	.	*			cis	178.1	-172.4	-31	60.3	0	0	0	0	111.8
1091	Y	33.6	Very low	33.2	Very low	211 Å²	211	132.7 Å²	132.7	83%	0.827	72%	0.72	S	S	*	*			trans	98.9	112.3	174.6	-59.6	-66.5	0	0	0	115
1092	S	31.8	Very low	33.3	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	72%	0.718	S	S	*	*				87.9	145.4	55.6	-78.5	0	0	0	0	112.4
1093	S	32.2	Very low	33.1	Very low	94 Å²	94	132 Å²	132	66%	0.657	72%	0.715	S	S	*	*			cis	-168.4	172.5	-4.3	-99.3	0	0	0	0	105.8
1094	N	33.6	Very low	33.1	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	71%	0.707	S	S	*	*			cis	-162.2	179.3	3.1	-112.7	-16	0	0	0	104.5
1095	T	34.7	Very low	32.9	Very low	96 Å²	96	134.7 Å²	134.7	59%	0.589	70%	0.702	S	S	*	*			cis	-165.9	-179.8	1	10.5	0	0	0	0	104.7
1096	F	34.4	Very low	33	Very low	164 Å²	164	134.3 Å²	134.3	72%	0.719	71%	0.705	S	S	*	*			cis	-159.8	-177	2.9	-103.6	-41	0	0	0	104.5
1097	Q	34.8	Very low	32.7	Very low	149 Å²	149	131.7 Å²	131.7	70%	0.696	70%	0.7	S	S	*	*			cis	-151.2	146.6	-6.8	-112.1	151	35.1	0	0	105
1098	H	32.9	Very low	32.2	Very low	167 Å²	167	136.2 Å²	136.2	77%	0.773	71%	0.709	S	S	*	*				77.8	146.6	58.2	-97.4	-121.3	0	0	0	115.3
1099	P	38.8	Very low	32	Very low	89 Å²	89	132.5 Å²	132.5	58%	0.578	71%	0.71	S	S	*	*			cis	-152.5	-173.2	-27.3	32.7	-8.5	0	0	0	118.4
1100	L	32.2	Very low	31.9	Very low	150 Å²	150	134.4 Å²	134.4	79%	0.785	72%	0.719	S	S	*	*			trans	84.4	144.8	153.9	-48.5	178.6	0	0	0	119.2
1101	T	30.2	Very low	32.3	Very low	103 Å²	103	136.2 Å²	136.2	63%	0.632	73%	0.729	S	S	*	*			cis	-168.3	161.8	-12.4	21.1	0	0	0	0	114.5
1102	L	32	Very low	32.2	Very low	147 Å²	147	132.3 Å²	132.3	77%	0.77	73%	0.727	S	S	*	*			trans	65.6	153.3	148.8	-91.7	85.6	0	0	0	119.3
1103	N	27.9	Very low	32.3	Very low	124 Å²	124	132.7 Å²	132.7	66%	0.663	73%	0.729	S	S	*	*			cis	-170.1	176.6	-33.1	-133.8	-1.7	0	0	0	113.5
1104	N	29.9	Very low	32.5	Very low	109 Å²	109	133.9 Å²	133.9	58%	0.583	73%	0.734	S	S	*	*			trans	77	107.5	148.6	-66.3	-4.8	0	0	0	122.6
1105	H	29	Very low	32.8	Very low	162 Å²	162	132.1 Å²	132.1	75%	0.75	73%	0.731	S	S	*	*				36.8	131.9	122	-47.7	-65.6	0	0	0	122.8
1106	T	30.4	Very low	32.6	Very low	144 Å²	144	133.4 Å²	133.4	88%	0.883	74%	0.738	S	S	*	*				-170.7	-175.3	103.7	22.5	0	0	0	0	112.1
1107	S	28.4	Very low	32.6	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	75%	0.747	S	S	*	*			trans	-137.3	-167.6	-158.5	-51.2	0	0	0	0	114.1
1108	F	28.4	Very low	32.3	Very low	201 Å²	201	132.7 Å²	132.7	88%	0.882	74%	0.741	S	S	*	*			trans	80	146	176.1	-58.5	-89.7	0	0	0	116.2
1109	S	30.5	Very low	32.1	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	74%	0.738	S	S	*	*			cis	-163.3	163.1	-15.3	42.7	0	0	0	0	112.1
1110	Q	32.8	Very low	31.9	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	75%	0.746	S	S	*	*			trans	-84.5	-166.9	169.9	-42	176.4	-69.3	0	0	111
1111	P	40.7	Very low	31.7	Very low	110 Å²	110	131.5 Å²	131.5	71%	0.714	74%	0.737	S	S	*	*			cis	-133.8	-163	-13.3	37.5	-16.6	0	0	0	113.6
1112	V	31.4	Very low	31.8	Very low	129 Å²	129	132.4 Å²	132.4	78%	0.782	74%	0.743	S	S	*	*			trans	148.7	128	136.5	166.2	0	0	0	0	113.4
1113	C	33	Very low	31.7	Very low	114 Å²	114	131 Å²	131	77%	0.77	74%	0.736	S	S	*	*			trans	-114.4	171.3	159.9	-48.3	0	0	0	0	107.2
1114	P	36	Very low	31.9	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	74%	0.74	S	S	*	*				-155.7	-132.9	60.1	36.4	-7.4	0	0	0	114
1115	P	40.2	Very low	32	Very low	104 Å²	104	136.7 Å²	136.7	68%	0.675	75%	0.752	S	S	*	*				-130.9	168	-79.9	35.3	-16.7	0	0	0	117.9
1116	V	30.1	Very low	32.2	Very low	123 Å²	123	135.8 Å²	135.8	75%	0.745	75%	0.751	S	S	*	*			trans	50.9	125	137.5	174	0	0	0	0	121
1117	Y	34	Very low	32.3	Very low	229 Å²	229	134.8 Å²	134.8	90%	0.898	75%	0.747	S	S	*	*				-139.2	176.9	120.7	-118.5	-84.9	0	0	0	110.4
1118	A	29.5	Very low	32.3	Very low	69 Å²	69	133.7 Å²	133.7	57%	0.57	74%	0.739	S	S	*	*			trans	-156.2	-174.5	-166.5	0	0	0	0	0	112.6
1119	N	28.6	Very low	32.5	Very low	136 Å²	136	131.7 Å²	131.7	73%	0.727	74%	0.736	S	S	*	*			trans	79.2	151.6	171.2	-62.7	-36.5	0	0	0	116.2
1120	Q	34.5	Very low	32.6	Very low	160 Å²	160	131.5 Å²	131.5	75%	0.748	73%	0.732	S	S	*	*			cis	-163.2	166.1	-5.9	-109.1	158.3	42.2	0	0	105.7
1121	S	27.5	Very low	32.3	Very low	84 Å²	84	130.8 Å²	130.8	59%	0.587	73%	0.734	S	S	*	*			cis	173	-175.9	-20.2	64.4	0	0	0	0	105.9
1122	T	33.9	Very low	31.8	Very low	123 Å²	123	132.8 Å²	132.8	76%	0.755	74%	0.738	S	S	*	*			trans	77.3	144.2	175	79.2	0	0	0	0	118.4
1123	N	29.2	Very low	31.6	Very low	118 Å²	118	132.9 Å²	132.9	63%	0.631	73%	0.734	S	S	*	*			cis	-162	146.2	-31.1	-118.4	-28.5	0	0	0	113.7
1124	H	31.4	Very low	31.6	Very low	158 Å²	158	136.9 Å²	136.9	73%	0.731	74%	0.743	S	S	*	*			trans	65.3	152.1	161	-51.2	-36.1	0	0	0	117.8
1125	K	31.6	Very low	31.2	Very low	194 Å²	194	137.2 Å²	137.2	84%	0.843	74%	0.739	S	S	*	*			cis	-151.6	154.8	1.1	-134.6	168.8	-174	176.5	0	110.1
1126	I	33.6	Very low	30.7	Very low	143 Å²	143	140.7 Å²	140.7	73%	0.733	74%	0.743	S	S	*	*			trans	-128.5	152.4	177.8	-33.5	176.5	0	0	0	109	S1128	I1126-S1128 WeakPolarHBondContact CG2-OG 3.39Å
1127	P	32.4	Very low	30.7	Very low	123 Å²	123	140.6 Å²	140.6	80%	0.799	75%	0.746	S	S	*	*				-137.4	140.5	113.5	37.2	-26.6	0	0	0	112.3
1128	S	29.4	Very low	30.5	Very low	77 Å²	77	140.3 Å²	140.3	54%	0.538	74%	0.743	S	S	.	*			cis	94.2	103.4	22.2	-60.4	0	0	0	0	116.2	I1126	I1126-S1128 WeakPolarHBondContact CG2-OG 3.39Å
1129	I	32.1	Very low	30.6	Very low	160 Å²	160	142.3 Å²	142.3	82%	0.821	75%	0.753	S	S	*	*			trans	75.3	150.8	136.3	-68.7	167.7	0	0	0	115.7
1130	P	32	Very low	30.7	Very low	104 Å²	104	143.3 Å²	143.3	68%	0.675	76%	0.757	S	S	*	*			cis	-122.5	147	11.1	17.2	7.2	0	0	0	117.7
1131	L	26.2	Very low	30.7	Very low	171 Å²	171	141.3 Å²	141.3	90%	0.895	76%	0.758	S	S	*	*			trans	-75.7	147.8	133.3	-85	162.2	0	0	0	108.1
1132	N	31.9	Very low	30.8	Very low	152 Å²	152	143 Å²	143	81%	0.813	77%	0.767	S	S	*	*			trans	-138.8	134.2	168.7	-144.8	-9.3	0	0	0	111.2
1133	L	27.1	Very low	30.5	Very low	131 Å²	131	148.1 Å²	148.1	69%	0.686	77%	0.774	S	S	*	*			trans	-91.2	149.2	179.6	-72	75	0	0	0	109.6
1134	M	31.6	Very low	30.6	Very low	197 Å²	197	147.1 Å²	147.1	97%	0.97	78%	0.782	S	S	*	*			trans	-136.9	142.3	143.5	-100.5	-172.8	174.6	0	0	110.7
1135	N	28.3	Very low	30.7	Very low	125 Å²	125	143.9 Å²	143.9	67%	0.668	78%	0.783	S	S	*	*			trans	-101.6	142.8	-172.2	-80.4	-51.5	0	0	0	110.9
1136	F	30.5	Very low	30.8	Very low	177 Å²	177	140.4 Å²	140.4	78%	0.776	78%	0.78	S	S	*	*			trans	54.2	140.9	142.6	-81.9	-71.7	0	0	0	119.8
1137	P	30.1	Very low	30.5	Very low	122 Å²	122	140.8 Å²	140.8	79%	0.792	78%	0.783	S	S	*	*				-136.4	161.2	75.6	36.3	-21.6	0	0	0	115.9
1138	R	29.9	Very low	30.2	Very low	222 Å²	222	138.3 Å²	138.3	84%	0.838	77%	0.769	S	S	*	*			trans	-69.5	139.8	163.1	-72	175.5	165.3	-166.5	-3.5	110.1
1139	S	29.9	Very low	30.1	Very low	111 Å²	111	144.5 Å²	144.5	78%	0.776	78%	0.782	S	S	*	*			trans	-153.6	123.3	146	45.6	0	0	0	0	110.6
1140	L	30.6	Very low	29.8	Very low	158 Å²	158	143.1 Å²	143.1	83%	0.827	78%	0.781	S	S	*	*			trans	-90.5	144.4	163	-84.8	81.4	0	0	0	108.4
1141	P	35.1	Very low	29.5	Very low	117 Å²	117	145.4 Å²	145.4	76%	0.76	79%	0.787	S	S	*	*			trans	-82.3	147.7	142.7	-15.7	32.5	0	0	0	110.6
1142	P	29.4	Very low	29.7	Very low	119 Å²	119	144 Å²	144	77%	0.773	79%	0.786	S	S	*	*			trans	-92.5	175.1	-169.8	37.2	-37.7	0	0	0	114.7
1143	Y	29.1	Very low	29.7	Very low	232 Å²	232	142.8 Å²	142.8	91%	0.91	78%	0.779	S	S	*	*			trans	-51	135.2	162.4	-94.3	-109	0	0	0	112
1144	A	30.5	Very low	30.1	Very low	97 Å²	97	141.8 Å²	141.8	80%	0.802	78%	0.78	S	S	*	*			trans	-150.8	93.1	160	0	0	0	0	0	110
1145	A	33.5	Very low	29.9	Very low	90 Å²	90	139.8 Å²	139.8	74%	0.744	77%	0.769	S	S	*	*			trans	-90.4	151.8	162.5	0	0	0	0	0	109.4
1146	P	32.9	Very low	30	Very low	120 Å²	120	140.7 Å²	140.7	78%	0.779	78%	0.779	S	S	*	*			trans	-118.1	146.6	144.3	35.2	-28.3	0	0	0	111.3
1147	N	28.2	Very low	29.8	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	78%	0.779	S	S	*	*			trans	-72.7	-176.9	161.9	-45.8	-70.4	0	0	0	108.4
1148	S	26.3	Very low	29.7	Very low	71 Å²	71	138.4 Å²	138.4	50%	0.497	78%	0.776	S	S	.	*			cis	-176	177.7	24.2	10.5	0	0	0	0	109.4
1149	Y	27.3	Very low	29.5	Very low	208 Å²	208	132.6 Å²	132.6	82%	0.816	77%	0.77	S	S	*	*			trans	77.1	139.3	163.9	-40.1	-63.4	0	0	0	115.4
1150	T	25.9	Very low	29.5	Very low	130 Å²	130	137.4 Å²	137.4	80%	0.798	78%	0.777	S	S	*	*			cis	-153.2	167.4	-6.4	-3.1	0	0	0	0	111.8
1151	L	25.7	Very low	29.3	Very low	152 Å²	152	141.2 Å²	141.2	80%	0.796	78%	0.78	S	S	*	*			trans	-53.6	148.5	167.6	-75.4	62	0	0	0	112.3
1152	T	29.5	Very low	29.4	Very low	143 Å²	143	140.9 Å²	140.9	88%	0.877	78%	0.778	S	S	*	*				-166.7	131.3	108	15.1	0	0	0	0	112.3
1153	N	31.9	Very low	29.5	Very low	125 Å²	125	138.7 Å²	138.7	67%	0.668	78%	0.777	S	S	*	*			trans	-111.1	140.6	165.9	-179.6	36.4	0	0	0	107.7
1154	P	35.5	Very low	29.4	Very low	110 Å²	110	135.1 Å²	135.1	71%	0.714	77%	0.768	S	S	*	*			trans	-120	124.7	156.4	33.5	-22.2	0	0	0	111.9
1155	H	28.1	Very low	29.4	Very low	156 Å²	156	138.5 Å²	138.5	72%	0.722	77%	0.772	S	S	*	*			trans	-69	147.2	166.4	-61.9	-112.9	0	0	0	110.5
1156	T	30.9	Very low	29.2	Very low	143 Å²	143	139.8 Å²	139.8	88%	0.877	77%	0.766	S	S	*	*			trans	-157.7	105.2	138.3	2.5	0	0	0	0	113.3
1157	N	25	Very low	29	Very low	147 Å²	147	141 Å²	141	79%	0.786	77%	0.766	S	S	*	*			trans	-22.6	123.8	144.6	-64.7	-17.9	0	0	0	117.3
1158	S	29.1	Very low	29	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	76%	0.761	S	S	*	*				-174.8	112.5	123.6	31.3	0	0	0	0	107.9
1159	S	26	Very low	29.2	Very low	100 Å²	100	142.2 Å²	142.2	70%	0.699	78%	0.776	S	S	*	*				64.7	93.1	67.4	77.3	0	0	0	0	114.1
1160	F	28.7	Very low	29.4	Very low	211 Å²	211	137.3 Å²	137.3	93%	0.925	77%	0.771	S	S	*	*			trans	-169.8	109.8	134.8	-105.1	-67	0	0	0	112.9
1161	W	25.9	Very low	29.6	Very low	238 Å²	238	137.5 Å²	137.5	90%	0.902	77%	0.772	S	S	*	*			trans	-112.3	179	154.9	-80.8	97.7	0	0	0	106.4
1162	P	37.4	Very low	30	Very low	111 Å²	111	135.7 Å²	135.7	72%	0.721	77%	0.77	S	S	*	*			cis	-126.4	-168	-30.7	34.4	-16.2	0	0	0	111.4
1163	G	31.5	Very low	30.1	Very low	72 Å²	72	134 Å²	134	74%	0.742	76%	0.764	S	S	*	*			trans	157.8	82.9	167.6	0	0	0	0	0	111.7
1164	H	27.5	Very low	30.2	Very low	158 Å²	158	133.5 Å²	133.5	73%	0.731	77%	0.767	S	S	*	*			cis	67.6	99.1	49.5	-145.5	-40.9	0	0	0	113.3
1165	L	31.1	Very low	29.8	Very low	168 Å²	168	133 Å²	133	88%	0.88	77%	0.767	S	S	*	*			trans	-157.9	129.9	149.3	-109.1	175.5	0	0	0	109.5
1166	N	28.4	Very low	29.9	Very low	116 Å²	116	134.4 Å²	134.4	62%	0.62	77%	0.773	S	S	*	*			trans	-92.2	160.8	171.7	-58.5	-36	0	0	0	109.2
1167	L	28.7	Very low	29.7	Very low	147 Å²	147	133 Å²	133	77%	0.77	77%	0.769	S	S	*	*				178.5	140.1	104.4	-127.4	64.2	0	0	0	113.5
1168	D	27.7	Very low	29.9	Very low	133 Å²	133	133.5 Å²	133.5	71%	0.711	77%	0.771	S	S	*	*			trans	17.3	127	148.5	-49	-15.3	0	0	0	121.8
1169	S	30.4	Very low	29.9	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	77%	0.772	S	S	*	*				-178.5	128.4	115.5	-79.3	0	0	0	0	115.9
1170	S	32.4	Very low	29.9	Very low	104 Å²	104	140.9 Å²	140.9	73%	0.727	78%	0.776	S	S	*	*			trans	24.9	115.5	148.2	60	0	0	0	0	123.5
1171	V	30.5	Very low	29.9	Very low	135 Å²	135	141.5 Å²	141.5	82%	0.818	77%	0.773	S	S	*	*				22.2	136.8	106.3	177.3	0	0	0	0	117.3
1172	P	34.2	Very low	30	Very low	114 Å²	114	135.9 Å²	135.9	74%	0.74	76%	0.761	S	S	*	*			cis	-138.8	-179.3	25.5	27.9	-2.4	0	0	0	119
1173	S	30.3	Very low	29.7	Very low	107 Å²	107	135 Å²	135	75%	0.748	76%	0.758	S	S	*	*			trans	-22.6	171.9	150.9	-46	0	0	0	0	120.6
1174	P	35.4	Very low	29.5	Very low	114 Å²	114	136.2 Å²	136.2	74%	0.74	76%	0.755	S	S	*	*			cis	-139.5	-168.2	-37.5	38.6	-19.7	0	0	0	114.2
1175	S	27.2	Very low	29.6	Very low	101 Å²	101	137 Å²	137	71%	0.706	76%	0.756	S	S	*	*			trans	70.3	104.9	155.4	64.6	0	0	0	0	121.2
1176	Q	30.1	Very low	29.5	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.864	75%	0.75	S	S	*	*			trans	170	115.6	133.2	-93.7	169.8	39.8	0	0	108.4
1177	S	26.2	Very low	29.6	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	76%	0.757	S	S	*	*				85.9	57.9	75.9	-61.9	0	0	0	0	115.9
1178	L	29.9	Very low	29.5	Very low	159 Å²	159	134.8 Å²	134.8	83%	0.832	76%	0.757	S	S	*	*			trans	-131.8	108.9	157.3	-74.7	170.5	0	0	0	107.2
1179	Q	28.5	Very low	29.6	Very low	159 Å²	159	138 Å²	138	74%	0.743	76%	0.764	S	S	*	*				70.6	109.3	80.6	-76.1	-152.9	-3.2	0	0	115.2
1180	Y	26.2	Very low	29.6	Very low	201 Å²	201	145.8 Å²	145.8	79%	0.788	78%	0.784	S	S	*	*			trans	48.8	107	156.8	-65.4	-78.5	0	0	0	119.7
1181	Y	29.5	Very low	29.5	Very low	223 Å²	223	147.9 Å²	147.9	88%	0.875	79%	0.787	S	S	*	*			trans	-127.4	124.1	131.8	-107.8	-89.4	0	0	0	110
1182	N	27	Very low	29.4	Very low	121 Å²	121	148.6 Å²	148.6	65%	0.647	79%	0.785	S	S	*	*			trans	-106.5	99.8	178.6	176.2	-7.3	0	0	0	108.2	S1184	N1182-S1184 PolarHBondContact O-N 3.28Å; N1182-S1184 PolarHBondContact OD1-N 3.19Å; N1182-S1184 PolarHBondContact OD1-OG 3.41Å
1183	S	31.1	Very low	29.1	Very low	92 Å²	92	150.5 Å²	150.5	64%	0.643	79%	0.788	S	S	*	*			trans	-86.4	46.4	-172.3	-60.7	0	0	0	0	113.6	F1185	S1183-F1185 PolarHBondContact O-N 3.31Å
1184	S	27.9	Very low	29.1	Very low	97 Å²	97	153.1 Å²	153.1	68%	0.678	79%	0.79	S	S	*	*			trans	-74.4	65.3	167.7	-61.9	0	0	0	0	110.7	N1182 L1186	N1182-S1184 PolarHBondContact O-N 3.28Å; N1182-S1184 PolarHBondContact OD1-N 3.19Å; N1182-S1184 PolarHBondContact OD1-OG 3.41Å; S1184-L1186 PolarHBondContact O-N 3.29Å
1185	F	29.2	Very low	28.7	Very low	174 Å²	174	155.5 Å²	155.5	76%	0.763	79%	0.793	S	S	*	*			trans	-80.3	83.7	-174.7	-100.5	-85.9	0	0	0	113	S1183 P1187	S1183-F1185 PolarHBondContact O-N 3.31Å; F1185-P1187 WeakPolarHBondContact O-CD 3.43Å
1186	L	28	Very low	28.8	Very low	143 Å²	143	159.1 Å²	159.1	75%	0.749	80%	0.799	S	S	*	*			trans	-90.1	112	158.3	-80.1	168.8	0	0	0	109.3	S1184 T1188	S1184-L1186 PolarHBondContact O-N 3.29Å; L1186-T1188 PolarHBondContact O-N 3.48Å
1187	P	32.3	Very low	28.7	Very low	118 Å²	118	157.3 Å²	157.3	77%	0.766	79%	0.794	S	S	*	*			trans	-70.1	93.5	173.9	-13.3	29.2	0	0	0	110.6	F1185 F1189	F1185-P1187 WeakPolarHBondContact O-CD 3.43Å; P1187-F1189 PolarHBondContact O-N 3.45Å
1188	T	25	Very low	28.9	Very low	125 Å²	125	160.8 Å²	160.8	77%	0.767	80%	0.795	S	S	*	*			trans	-93	96.6	174.2	-52	0	0	0	0	109.2	L1186	L1186-T1188 PolarHBondContact O-N 3.48Å
1189	F	29.6	Very low	28.8	Very low	199 Å²	199	160.9 Å²	160.9	87%	0.873	79%	0.792	S	S	*	*			trans	-117.7	158.4	165.7	-89.8	-90.6	0	0	0	110.9	P1187	P1187-F1189 PolarHBondContact O-N 3.45Å
1190	K	31.3	Very low	28.8	Very low	279 Å²	279	161.1 Å²	161.1	100%	1.213	80%	0.797	S	S	*	*			trans	-67.5	0	-155.6	-66.8	177.5	178.1	174.4	0	115.3

Retrieved 1,190 of 1,190 residues in 164.6 ms (Link to these results)

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