A0A077Z7Z9_TRITR Loading...

PAH and Sin3 corepress domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7Z9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,011 aa.

						>A0A077Z7Z9_TRITR|A0A077Z7Z9
MDILQAYQKEQLEKPTNSSGRSSEADAQVFSQVAQLFANDKDLLEEFSQFLPDAPLMQLEKPSPSVVAATSTTTTTTTTTTTSSSSSSKETAKSVDATVTDNGEKVVPLSSESTPATGEGDGDLKEQPLRSARRKRKCPAAAPPVPYSETIMTRKRTRSAAAQLARQNAALVKKSNEDRRDEKKPKRDVTFDQYMFLEKLRYTVSNDDMYKGLLRVLKLFSQSYLTVTDVQDLFRSYVPDETELLDWFSKPALPSSESSPVNAGEGTVNQRRTISDGCPDVDFSRCKQLGVSYRLIPAKYQYPKCTGRTPLGKEVLNFKYLSFPVFQSEENPKTTSKRSPFQETLYTTEDEHFETDIVIAVNRCLTEGLLSAEAMVRRLKQKYSLDIALNTRSVTIAQRALRMLMQKNDDWHKNLRRMKPMWQEMNINCYWKALDYHDITFKSDDQKDKRTRSLLAAVEALFDQRRAKAEKENREIQSGPHVIVQFPSCTQAFHDTGELVVHYMKRQTNVGLLYKRQMAIIVKVMLPPLFNLKPASLSDVEQELPAVENRDKNSSTANGSNSRNASNKGGRCRGGYRRRAGAKGRGNAKVATTPSSSTESTAVDKNEKSESLQDFPILEDLTLLGPMPRYSILFGPSPWYVFLRLYCILSERLSGFYDASRDLASKFGQEEFSYLYETTVLRNRFTSNSKVQPDDLYNQFLNLTKHWLDGGIESTTYEDAVRDVFTLRAYKAFTIDQIVHTMYRQLYVIVSELTPVKAFKLHETWAPRIRCAPNNVERQLLEKSYQAEAIALTEGQKCFKIQFLPLENRKVTFELLDKASPNEAPRKCQESNAIVPVKAGDDINQAMLQRNVNRAMDYFAKQLLKVQEETGTKCGRLNGASRTGPQMARTVSQLFYWQRSTRVYLPLTSVQARNRHNFKLHMLRKFWKKDQTSKTDDDLEPETHGEIFCRFHEKWTAENVTKEQNSFVNELLSGTPGKKNMSAAWMSRCEEPCSRRPPYFVVNRYFKWKEK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69.6	Low	78.1	Confident	157 Å²	157	92.2 Å²	92.2	77%	0.773	46%	0.46	S	S	*	.				0	-52.7	0	-76.5	-57.2	-76.4	0	0	111	I3 L4 Q5	M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.7Å; M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-Q5 PolarHBondContact O-N 3.06Å
2	D	79.1	Confident	77.5	Confident	128 Å²	128	96.3 Å²	96.3	68%	0.684	48%	0.483	S	S	*	.	H	α-helix	trans	-57.6	-42.6	-179.3	-56.4	-6	0	0	0	113.1	L4 Q5 A6	D2-L4 VanDerWaalsContact C-N 3.3Å; D2-L4 PolarHBondContact O-N 3.03Å; D2-Q5 PolarHBondContact O-N 2.82Å; D2-A6 WeakPolarHBondContact O-CB 3.13Å; D2-A6 PolarHBondContact O-N 3.18Å
3	I	81.5	Confident	77	Confident	29 Å²	29	99.2 Å²	99.2	15%	0.149	49%	0.494	C	S	.	.	H	α-helix	trans	-57.4	-43.1	174.8	-58.3	166.6	0	0	0	111.4	M1 A6 Y7 V29 Q32 V33 L36	M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.7Å; I3-A6 PolarHBondContact O-N 2.97Å; I3-Y7 WeakPolarHBondContact O-CB 3.45Å; I3-Y7 PolarHBondContact O-N 3.42Å; I3-V29 HydrophobicContact CG2-CG1 4.13Å; I3-V29 HydrophobicContact CG2-CG2 4.33Å; I3-Q32 HydrophobicContact CD1-CB 3.65Å; I3-Q32 HydrophobicContact CG1-CB 4.29Å; I3-Q32 HydrophobicContact CG2-CB 4.24Å; I3-V33 HydrophobicContact CD1-CG2 4.34Å; I3-V33 HydrophobicContact CG2-CG2 4.3Å; I3-L36 HydrophobicContact CD1-CD1 3.4Å; I3-L36 HydrophobicContact CD1-CG 4.44Å
4	L	78.4	Confident	75.7	Confident	65 Å²	65	96.2 Å²	96.2	34%	0.34	48%	0.477	S	S	.	.	H	α-helix	trans	-72.2	-36.1	-179.5	-68.8	173.4	0	0	0	112.4	M1 D2 Y7 Q8 F47	M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 3.48Å; D2-L4 VanDerWaalsContact C-N 3.3Å; D2-L4 PolarHBondContact O-N 3.03Å; L4-Y7 PolarHBondContact O-N 3.27Å; L4-Q8 WeakPolarHBondContact O-CB 3.47Å; L4-Q8 WeakPolarHBondContact O-CG 3.5Å; L4-Q8 PolarHBondContact O-N 3.16Å; L4-F47 HydrophobicContact CD2-CE2 3.92Å; L4-F47 HydrophobicContact CD2-CZ 4.03Å
5	Q	79.9	Confident	74	Confident	111 Å²	111	96.9 Å²	96.9	52%	0.519	49%	0.491	S	S	.	.	H	α-helix	trans	-66.6	-40.6	174.3	-72.6	-179.6	-10.4	0	0	111.3	M1 D2 Q8 K9	M1-Q5 PolarHBondContact O-N 3.06Å; D2-Q5 PolarHBondContact O-N 2.82Å; Q5-Q8 PolarHBondContact O-N 3.38Å; Q5-K9 VanDerWaalsContact O-CB 3.31Å; Q5-K9 WeakPolarHBondContact O-CB 3.49Å; Q5-K9 PolarHBondContact O-N 3.04Å
6	A	79.1	Confident	72.7	Confident	60 Å²	60	99.7 Å²	99.7	50%	0.496	52%	0.515	S	S	.	.	H	α-helix	trans	-60.9	-47.8	174	0	0	0	0	0	111	D2 I3 K9 E10	D2-A6 WeakPolarHBondContact O-CB 3.13Å; D2-A6 PolarHBondContact O-N 3.18Å; I3-A6 PolarHBondContact O-N 2.97Å; A6-K9 PolarHBondContact O-N 3Å; A6-E10 WeakPolarHBondContact O-CB 3.37Å; A6-E10 PolarHBondContact O-N 3.48Å
7	Y	82.6	Confident	71.3	Confident	41 Å²	41	103.2 Å²	103.2	16%	0.161	53%	0.534	C	S	.	.	H	α-helix	trans	-62.6	-44.7	176.9	-179.3	-102.4	0	0	0	112.8	I3 L4 K9 E10 Q11 A25 D26 V29	I3-Y7 WeakPolarHBondContact O-CB 3.45Å; I3-Y7 PolarHBondContact O-N 3.42Å; L4-Y7 PolarHBondContact O-N 3.27Å; Y7-K9 VanDerWaalsContact C-N 3.35Å; Y7-K9 PolarHBondContact O-N 2.75Å; Y7-E10 PolarHBondContact O-N 2.98Å; Y7-Q11 HydrophobicContact CD1-CG 4.22Å; Y7-Q11 HydrophobicContact CD2-CG 4.48Å; Y7-Q11 HydrophobicContact CE1-CG 3.9Å; Y7-Q11 HydrophobicContact CE2-CG 4.24Å; Y7-Q11 VanDerWaalsContact CE2-NE2 3.25Å; Y7-Q11 VanDerWaalsContact O-CG 3.28Å; Y7-Q11 WeakPolarHBondContact O-CG 3.49Å; Y7-Q11 PolarHBondContact O-N 3.25Å; Y7-Q11 PolarHBondContact OH-NE2 3.21Å; Y7-Q11 VanDerWaalsContact OH-NE2 3.12Å; Y7-A25 HydrophobicContact CD2-CB 4.4Å; Y7-A25 HydrophobicContact CE2-CB 4.05Å; Y7-D26 VanDerWaalsContact CE2-OD1 3.27Å; Y7-D26 WeakPolarHBondContact CE2-OD1 3.48Å; Y7-D26 VanDerWaalsContact CZ-OD1 3.24Å; Y7-D26 PolarHBondContact OH-OD1 3.2Å; Y7-V29 HydrophobicContact CD2-CB 4.47Å; Y7-V29 HydrophobicContact CD2-CG2 3.41Å; Y7-V29 VanDerWaalsContact CD2-CG2 3.41Å; Y7-V29 HydrophobicContact CE2-CG2 4.14Å; Y7-V29 HydrophobicContact CG-CG2 3.78Å
8	Q	78.8	Confident	70.2	Confident	129 Å²	129	100.8 Å²	100.8	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-62.5	-41.3	177	-80.6	-177.6	-18.4	0	0	112.5	L4 Q5 E10 Q11 L12	L4-Q8 WeakPolarHBondContact O-CB 3.47Å; L4-Q8 WeakPolarHBondContact O-CG 3.5Å; L4-Q8 PolarHBondContact O-N 3.16Å; Q5-Q8 PolarHBondContact O-N 3.38Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; Q8-Q11 PolarHBondContact O-N 2.91Å; Q8-L12 WeakPolarHBondContact O-CB 3.12Å; Q8-L12 WeakPolarHBondContact O-CG 3Å; Q8-L12 PolarHBondContact O-N 3.24Å
9	K	79.3	Confident	69.4	Low	130 Å²	130	101.7 Å²	101.7	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-62.4	-43.8	175.7	-172.5	-178.4	175.7	-171.4	0	111	Q5 A6 Y7 Q11 L12 E13	Q5-K9 VanDerWaalsContact O-CB 3.31Å; Q5-K9 WeakPolarHBondContact O-CB 3.49Å; Q5-K9 PolarHBondContact O-N 3.04Å; A6-K9 PolarHBondContact O-N 3Å; Y7-K9 VanDerWaalsContact C-N 3.35Å; Y7-K9 PolarHBondContact O-N 2.75Å; K9-Q11 VanDerWaalsContact C-N 3.34Å; K9-Q11 PolarHBondContact O-N 3.06Å; K9-L12 PolarHBondContact O-N 2.9Å; K9-E13 WeakPolarHBondContact CE-OE1 3.34Å; K9-E13 WeakPolarHBondContact O-CG 3.35Å; K9-E13 PolarHBondContact O-N 3.43Å; K9-E13 VanDerWaalsContact O-N 3.15Å
10	E	78.7	Confident	68.6	Low	101 Å²	101	100 Å²	100	47%	0.472	55%	0.551	S	S	.	*	H	α-helix	trans	-66.3	-33.6	178.1	-166.9	174.8	-176.9	0	0	112.6	A6 Y7 Q8	A6-E10 WeakPolarHBondContact O-CB 3.37Å; A6-E10 PolarHBondContact O-N 3.48Å; Y7-E10 PolarHBondContact O-N 2.98Å; Q8-E10 VanDerWaalsContact C-N 3.34Å
11	Q	71.9	Confident	67.9	Low	63 Å²	63	103.9 Å²	103.9	29%	0.294	56%	0.557	S	S	.	*	H	α-helix	trans	-74	-31.9	174.5	-64.1	-67.1	-3.3	0	0	112.9	Y7 Q8 K9	Y7-Q11 HydrophobicContact CD1-CG 4.22Å; Y7-Q11 HydrophobicContact CD2-CG 4.48Å; Y7-Q11 HydrophobicContact CE1-CG 3.9Å; Y7-Q11 HydrophobicContact CE2-CG 4.24Å; Y7-Q11 VanDerWaalsContact CE2-NE2 3.25Å; Y7-Q11 VanDerWaalsContact O-CG 3.28Å; Y7-Q11 WeakPolarHBondContact O-CG 3.49Å; Y7-Q11 PolarHBondContact O-N 3.25Å; Y7-Q11 PolarHBondContact OH-NE2 3.21Å; Y7-Q11 VanDerWaalsContact OH-NE2 3.12Å; Q8-Q11 PolarHBondContact O-N 2.91Å; K9-Q11 VanDerWaalsContact C-N 3.34Å; K9-Q11 PolarHBondContact O-N 3.06Å
12	L	70.7	Confident	67.4	Low	141 Å²	141	97.7 Å²	97.7	74%	0.738	53%	0.53	S	S	*	.	H	α-helix	trans	-73.4	-27.6	176.6	-79.2	162.2	0	0	0	113.3	Q8 K9 K14	Q8-L12 WeakPolarHBondContact O-CB 3.12Å; Q8-L12 WeakPolarHBondContact O-CG 3Å; Q8-L12 PolarHBondContact O-N 3.24Å; K9-L12 PolarHBondContact O-N 2.9Å; L12-K14 VanDerWaalsContact C-N 3.32Å
13	E	72.1	Confident	66.8	Low	135 Å²	135	94.4 Å²	94.4	63%	0.631	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.6	179	-71.3	178.1	-174.5	0	0	113.4	K9 P15	K9-E13 WeakPolarHBondContact CE-OE1 3.34Å; K9-E13 WeakPolarHBondContact O-CG 3.35Å; K9-E13 PolarHBondContact O-N 3.43Å; K9-E13 VanDerWaalsContact O-N 3.15Å; E13-P15 VanDerWaalsContact O-CD 3.32Å; E13-P15 WeakPolarHBondContact O-CD 3.44Å
14	K	58.8	Low	66.4	Low	57 Å²	57	99.6 Å²	99.6	25%	0.248	54%	0.54	C	S	.	.			trans	-78.3	119.7	-178.3	-79.4	174.7	-170.3	172.8	0	112.8	L12	L12-K14 VanDerWaalsContact C-N 3.32Å
15	P	49.9	Very low	66.3	Low	106 Å²	106	96.9 Å²	96.9	69%	0.688	53%	0.527	S	S	*	.			trans	-66.8	147.5	165.5	27.8	-32.7	0	0	0	110.5	E13 N17	E13-P15 VanDerWaalsContact O-CD 3.32Å; E13-P15 WeakPolarHBondContact O-CD 3.44Å; P15-N17 PolarHBondContact O-N 2.91Å
16	T	53	Low	66.3	Low	142 Å²	142	91.6 Å²	91.6	87%	0.871	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	17.7	-163.7	52.9	0	0	0	0	117.7
17	N	49	Very low	66.4	Low	159 Å²	159	91 Å²	91	85%	0.85	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	22.1	-169.1	-87.5	-1.5	0	0	0	116.3	P15	P15-N17 PolarHBondContact O-N 2.91Å
18	S	52.1	Low	66.4	Low	61 Å²	61	94.6 Å²	94.6	43%	0.427	52%	0.516	S	S	.	.			trans	-128.9	90.5	177.1	64	0	0	0	0	113.4
19	S	54	Low	66.6	Low	117 Å²	117	89 Å²	89	82%	0.818	49%	0.49	S	S	*	.			trans	-81.3	-15.4	-179.1	51	0	0	0	0	115.3	S22	S19-S22 PolarHBondContact O-OG 2.61Å
20	G	54.4	Low	67.1	Low	67 Å²	67	85.8 Å²	85.8	69%	0.691	48%	0.476	S	S	*	.	S	Bend	trans	-88.6	-15.4	-173.6	0	0	0	0	0	116.2
21	R	52.5	Low	67.3	Low	182 Å²	182	84 Å²	84	69%	0.687	48%	0.476	S	S	*	.	S	Bend	trans	-95.4	-1.9	-173.8	-122.4	179.3	179.4	178.4	-1.4	114
22	S	59.9	Low	67.9	Low	27 Å²	27	84.8 Å²	84.8	19%	0.189	48%	0.479	C	S	.	.	H	α-helix	trans	-69.2	-40.7	176.5	47.2	0	0	0	0	112	S19 E24 A25 D26	S19-S22 PolarHBondContact O-OG 2.61Å; S22-E24 PolarHBondContact O-N 3.13Å; S22-A25 PolarHBondContact O-N 2.99Å; S22-D26 VanDerWaalsContact O-CG 3.24Å; S22-D26 PolarHBondContact O-N 3.41Å
23	S	66	Low	68.6	Low	59 Å²	59	78.3 Å²	78.3	41%	0.413	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-38.6	-175.6	-174.1	0	0	0	0	113.8	D26 A27	S23-D26 PolarHBondContact O-N 2.87Å; S23-A27 WeakPolarHBondContact O-CB 3.05Å; S23-A27 PolarHBondContact O-N 2.76Å
24	E	72.6	Confident	69.3	Low	139 Å²	139	73.3 Å²	73.3	65%	0.65	43%	0.427	S	S	*	.	H	α-helix	trans	-66.4	-40.6	176.2	-73	-179.6	166.3	0	0	112.2	S22 A27 Q28	S22-E24 PolarHBondContact O-N 3.13Å; E24-A27 PolarHBondContact O-N 3.47Å; E24-Q28 WeakPolarHBondContact O-CB 3.48Å; E24-Q28 PolarHBondContact O-N 3.43Å
25	A	76.5	Confident	70.6	Confident	7 Å²	7	77.9 Å²	77.9	6%	0.058	45%	0.449	C	S	.	.	H	α-helix	trans	-66.3	-40	177.9	0	0	0	0	0	111.3	Y7 S22 Q28 V29	Y7-A25 HydrophobicContact CD2-CB 4.4Å; Y7-A25 HydrophobicContact CE2-CB 4.05Å; S22-A25 PolarHBondContact O-N 2.99Å; A25-Q28 PolarHBondContact O-N 3.42Å; A25-V29 WeakPolarHBondContact O-CG2 3.26Å; A25-V29 PolarHBondContact O-N 3.3Å
26	D	80.2	Confident	72.2	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.005	45%	0.447	C	S	.	.	H	α-helix	trans	-64.9	-43.6	177.9	-68	5.5	0	0	0	111.2	Y7 S22 S23 Q28 V29 F30 L51	Y7-D26 VanDerWaalsContact CE2-OD1 3.27Å; Y7-D26 WeakPolarHBondContact CE2-OD1 3.48Å; Y7-D26 VanDerWaalsContact CZ-OD1 3.24Å; Y7-D26 PolarHBondContact OH-OD1 3.2Å; S22-D26 VanDerWaalsContact O-CG 3.24Å; S22-D26 PolarHBondContact O-N 3.41Å; S23-D26 PolarHBondContact O-N 2.87Å; D26-Q28 PolarHBondContact O-N 3.38Å; D26-V29 PolarHBondContact O-N 2.88Å; D26-F30 WeakPolarHBondContact O-CB 3.34Å; D26-F30 PolarHBondContact O-N 3.12Å; D26-L51 HydrophobicContact CB-CD2 4.44Å
27	A	80.8	Confident	73.7	Confident	47 Å²	47	75.1 Å²	75.1	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-64	-39.7	176.2	0	0	0	0	0	112.6	S23 E24 F30 S31	S23-A27 WeakPolarHBondContact O-CB 3.05Å; S23-A27 PolarHBondContact O-N 2.76Å; E24-A27 PolarHBondContact O-N 3.47Å; A27-F30 PolarHBondContact O-N 2.62Å; A27-S31 PolarHBondContact O-N 3.37Å
28	Q	82.6	Confident	75.2	Confident	117 Å²	117	71 Å²	71	55%	0.547	41%	0.408	S	S	.	.	H	α-helix	trans	-68	-40.7	178.9	-164.7	173.9	26.2	0	0	111.9	E24 A25 D26 S31 Q32	E24-Q28 WeakPolarHBondContact O-CB 3.48Å; E24-Q28 PolarHBondContact O-N 3.43Å; A25-Q28 PolarHBondContact O-N 3.42Å; D26-Q28 PolarHBondContact O-N 3.38Å; Q28-S31 PolarHBondContact O-N 3.41Å; Q28-Q32 WeakPolarHBondContact O-CG 3.45Å; Q28-Q32 PolarHBondContact O-N 3.03Å; Q28-Q32 VanDerWaalsContact O-N 3.11Å
29	V	84.6	Confident	76.7	Confident	11 Å²	11	75.5 Å²	75.5	7%	0.067	43%	0.427	C	S	.	.	H	α-helix	trans	-63.9	-44.9	174.5	170.2	0	0	0	0	111	I3 Y7 A25 D26 S31 Q32 V33 F47	I3-V29 HydrophobicContact CG2-CG1 4.13Å; I3-V29 HydrophobicContact CG2-CG2 4.33Å; Y7-V29 HydrophobicContact CD2-CB 4.47Å; Y7-V29 HydrophobicContact CD2-CG2 3.41Å; Y7-V29 VanDerWaalsContact CD2-CG2 3.41Å; Y7-V29 HydrophobicContact CE2-CG2 4.14Å; Y7-V29 HydrophobicContact CG-CG2 3.78Å; A25-V29 WeakPolarHBondContact O-CG2 3.26Å; A25-V29 PolarHBondContact O-N 3.3Å; D26-V29 PolarHBondContact O-N 2.88Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.49Å; V29-Q32 PolarHBondContact O-N 2.9Å; V29-V33 HydrophobicContact CG1-CG2 4.29Å; V29-V33 WeakPolarHBondContact O-CB 3.2Å; V29-V33 VanDerWaalsContact O-CG2 3.25Å; V29-V33 WeakPolarHBondContact O-CG2 3.29Å; V29-V33 PolarHBondContact O-N 3.31Å; V29-F47 HydrophobicContact CG1-CE1 4.06Å; V29-F47 HydrophobicContact CG1-CZ 3.78Å
30	F	88	Confident	78	Confident	62 Å²	62	73.4 Å²	73.4	27%	0.272	41%	0.407	S	S	.	.	H	α-helix	trans	-60	-41.9	177.3	-170	-98	0	0	0	112	D26 A27 V33 A34 L44 F47 L51	D26-F30 WeakPolarHBondContact O-CB 3.34Å; D26-F30 PolarHBondContact O-N 3.12Å; A27-F30 PolarHBondContact O-N 2.62Å; F30-V33 PolarHBondContact O-N 2.75Å; F30-A34 VanDerWaalsContact O-CB 3.28Å; F30-A34 WeakPolarHBondContact O-CB 3.46Å; F30-A34 PolarHBondContact O-N 3.15Å; F30-L44 HydrophobicContact CE2-CD1 4Å; F30-L44 HydrophobicContact CE2-CG 4.1Å; F30-L44 HydrophobicContact CZ-CD1 4.07Å; F30-L44 HydrophobicContact CZ-CD2 4.11Å; F30-L44 HydrophobicContact CZ-CG 3.88Å; F30-F47 HydrophobicContact CD2-CD1 4.15Å; F30-L51 HydrophobicContact CB-CD1 3.94Å; F30-L51 HydrophobicContact CD2-CD1 4.2Å
31	S	84.8	Confident	79.4	Confident	65 Å²	65	77.8 Å²	77.8	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-43.9	177.5	-177.1	0	0	0	0	113.1	A27 Q28 V29 V33 A34 Q35	A27-S31 PolarHBondContact O-N 3.37Å; Q28-S31 PolarHBondContact O-N 3.41Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.49Å; S31-V33 VanDerWaalsContact C-N 3.32Å; S31-V33 PolarHBondContact O-N 3.22Å; S31-A34 PolarHBondContact O-N 2.89Å; S31-Q35 PolarHBondContact O-N 2.48Å
32	Q	84.3	Confident	80.9	Confident	78 Å²	78	74 Å²	74	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-67.4	-35.3	177.8	-67.2	179.2	13.6	0	0	111.8	I3 Q28 V29 L36	I3-Q32 HydrophobicContact CD1-CB 3.65Å; I3-Q32 HydrophobicContact CG1-CB 4.29Å; I3-Q32 HydrophobicContact CG2-CB 4.24Å; Q28-Q32 WeakPolarHBondContact O-CG 3.45Å; Q28-Q32 PolarHBondContact O-N 3.03Å; Q28-Q32 VanDerWaalsContact O-N 3.11Å; V29-Q32 PolarHBondContact O-N 2.9Å; Q32-L36 PolarHBondContact O-N 3.19Å
33	V	85	Confident	81.9	Confident	6 Å²	6	75.8 Å²	75.8	4%	0.036	41%	0.407	C	S	.	.	H	α-helix	trans	-73.6	-35.8	177.2	175.6	0	0	0	0	111.5	I3 V29 F30 S31 Q35 L36 F37 L44 F47	I3-V33 HydrophobicContact CD1-CG2 4.34Å; I3-V33 HydrophobicContact CG2-CG2 4.3Å; V29-V33 HydrophobicContact CG1-CG2 4.29Å; V29-V33 WeakPolarHBondContact O-CB 3.2Å; V29-V33 VanDerWaalsContact O-CG2 3.25Å; V29-V33 WeakPolarHBondContact O-CG2 3.29Å; V29-V33 PolarHBondContact O-N 3.31Å; F30-V33 PolarHBondContact O-N 2.75Å; S31-V33 VanDerWaalsContact C-N 3.32Å; S31-V33 PolarHBondContact O-N 3.22Å; V33-Q35 VanDerWaalsContact C-N 3.31Å; V33-Q35 PolarHBondContact O-N 2.85Å; V33-L36 PolarHBondContact O-N 2.85Å; V33-L36 VanDerWaalsContact O-N 3.1Å; V33-F37 HydrophobicContact CG1-CD2 3.45Å; V33-F37 VanDerWaalsContact CG1-CD2 3.45Å; V33-F37 HydrophobicContact CG1-CE2 3.62Å; V33-F37 WeakPolarHBondContact O-CD2 3.27Å; V33-F37 PolarHBondContact O-N 2.83Å; V33-L44 HydrophobicContact CG1-CD1 4.23Å; V33-F47 HydrophobicContact CB-CD1 4.02Å; V33-F47 HydrophobicContact CB-CE1 3.76Å; V33-F47 HydrophobicContact CB-CZ 4.22Å; V33-F47 HydrophobicContact CG1-CB 4.47Å; V33-F47 HydrophobicContact CG1-CD1 3.55Å; V33-F47 HydrophobicContact CG1-CD2 4.15Å; V33-F47 HydrophobicContact CG1-CE1 3.74Å; V33-F47 HydrophobicContact CG1-CE2 4.33Å; V33-F47 HydrophobicContact CG1-CG 3.77Å; V33-F47 HydrophobicContact CG1-CZ 4.14Å; V33-F47 HydrophobicContact CG2-CD1 4.4Å; V33-F47 HydrophobicContact CG2-CE1 3.72Å; V33-F47 HydrophobicContact CG2-CE2 4.31Å; V33-F47 HydrophobicContact CG2-CZ 3.68Å
34	A	86.6	Confident	82.8	Confident	30 Å²	30	74.3 Å²	74.3	25%	0.248	39%	0.394	C	S	.	.	H	α-helix	trans	-62.5	-34.3	173.7	0	0	0	0	0	113	F30 S31 L36 A38 L44	F30-A34 VanDerWaalsContact O-CB 3.28Å; F30-A34 WeakPolarHBondContact O-CB 3.46Å; F30-A34 PolarHBondContact O-N 3.15Å; S31-A34 PolarHBondContact O-N 2.89Å; A34-L36 VanDerWaalsContact C-N 3.34Å; A34-A38 PolarHBondContact O-N 3.13Å; A34-L44 HydrophobicContact CB-CD1 3.95Å; A34-L44 HydrophobicContact CB-CD2 4.01Å
35	Q	85.4	Confident	83	Confident	153 Å²	153	74.1 Å²	74.1	72%	0.715	39%	0.393	S	S	*	.	H	α-helix	trans	-68.6	-32.6	173.3	-72.5	-180	2.3	0	0	112.7	S31 V33	S31-Q35 PolarHBondContact O-N 2.48Å; V33-Q35 VanDerWaalsContact C-N 3.31Å; V33-Q35 PolarHBondContact O-N 2.85Å
36	L	82.9	Confident	83.3	Confident	120 Å²	120	79.5 Å²	79.5	63%	0.628	42%	0.417	S	S	*	.	H	α-helix	trans	-78.5	-34.9	179.2	-69.8	174.5	0	0	0	112.9	I3 Q32 V33 A34	I3-L36 HydrophobicContact CD1-CD1 3.4Å; I3-L36 HydrophobicContact CD1-CG 4.44Å; Q32-L36 PolarHBondContact O-N 3.19Å; V33-L36 PolarHBondContact O-N 2.85Å; V33-L36 VanDerWaalsContact O-N 3.1Å; A34-L36 VanDerWaalsContact C-N 3.34Å
37	F	85.5	Confident	83.4	Confident	70 Å²	70	80.9 Å²	80.9	31%	0.307	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	30	178.9	-63.5	-69.3	0	0	0	113	V33 N39 D40 L43	V33-F37 HydrophobicContact CG1-CD2 3.45Å; V33-F37 VanDerWaalsContact CG1-CD2 3.45Å; V33-F37 HydrophobicContact CG1-CE2 3.62Å; V33-F37 WeakPolarHBondContact O-CD2 3.27Å; V33-F37 PolarHBondContact O-N 2.83Å; F37-N39 PolarHBondContact O-N 2.91Å; F37-D40 HydrophobicContact CB-CB 4.49Å; F37-D40 HydrophobicContact CD1-CB 4.32Å; F37-D40 PolarHBondContact O-N 3.42Å; F37-L43 HydrophobicContact CD1-CB 3.91Å; F37-L43 HydrophobicContact CD1-CD1 3.66Å; F37-L43 HydrophobicContact CD1-CG 4.45Å; F37-L43 HydrophobicContact CE1-CB 4.19Å; F37-L43 HydrophobicContact CE1-CD1 3.57Å; F37-L43 HydrophobicContact CG-CB 4.23Å
38	A	80.3	Confident	83.2	Confident	72 Å²	72	80 Å²	80	60%	0.595	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.5	-178.9	0	0	0	0	0	113.8	A34	A34-A38 PolarHBondContact O-N 3.13Å
39	N	82.9	Confident	83	Confident	155 Å²	155	81.8 Å²	81.8	83%	0.829	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-14.6	179.3	-63	-18.3	0	0	0	114.2	F37	F37-N39 PolarHBondContact O-N 2.91Å
40	D	82.8	Confident	82.4	Confident	74 Å²	74	89 Å²	89	40%	0.396	45%	0.453	S	S	.	.			trans	-121.3	81.7	-170.7	-60.2	-32.3	0	0	0	110	F37 D42 L43 L44	F37-D40 HydrophobicContact CB-CB 4.49Å; F37-D40 HydrophobicContact CD1-CB 4.32Å; F37-D40 PolarHBondContact O-N 3.42Å; D40-D42 VanDerWaalsContact C-N 3.32Å; D40-D42 PolarHBondContact O-N 3.39Å; D40-L43 HydrophobicContact CB-CB 4.11Å; D40-L43 HydrophobicContact CB-CD1 3.72Å; D40-L43 HydrophobicContact CB-CG 4.04Å; D40-L43 PolarHBondContact O-N 3.26Å; D40-L44 PolarHBondContact O-N 2.85Å
41	K	82.2	Confident	81.9	Confident	159 Å²	159	86.7 Å²	86.7	69%	0.691	44%	0.444	S	S	*	.	H	α-helix	trans	-65.6	-32.9	-175.4	-72.2	-173.3	177.1	-176.9	0	113.7	L44 E45	K41-L44 PolarHBondContact O-N 3.44Å; K41-E45 PolarHBondContact O-N 2.86Å
42	D	84.4	Confident	80.7	Confident	102 Å²	102	89 Å²	89	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-61.1	-44.8	175.6	54.4	-22.3	0	0	0	111.6	D40 L44 E45 E46	D40-D42 VanDerWaalsContact C-N 3.32Å; D40-D42 PolarHBondContact O-N 3.39Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 2.81Å; D42-E45 PolarHBondContact O-N 3.44Å; D42-E46 PolarHBondContact O-N 3.14Å
43	L	81.5	Confident	79.4	Confident	64 Å²	64	89.5 Å²	89.5	34%	0.335	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-34.9	176.6	-66.8	179.1	0	0	0	112.2	F37 D40 F47	F37-L43 HydrophobicContact CD1-CB 3.91Å; F37-L43 HydrophobicContact CD1-CD1 3.66Å; F37-L43 HydrophobicContact CD1-CG 4.45Å; F37-L43 HydrophobicContact CE1-CB 4.19Å; F37-L43 HydrophobicContact CE1-CD1 3.57Å; F37-L43 HydrophobicContact CG-CB 4.23Å; D40-L43 HydrophobicContact CB-CB 4.11Å; D40-L43 HydrophobicContact CB-CD1 3.72Å; D40-L43 HydrophobicContact CB-CG 4.04Å; D40-L43 PolarHBondContact O-N 3.26Å; L43-F47 VanDerWaalsContact O-CB 3.27Å; L43-F47 WeakPolarHBondContact O-CB 3.16Å; L43-F47 PolarHBondContact O-N 2.76Å
44	L	83.8	Confident	78	Confident	28 Å²	28	90.4 Å²	90.4	15%	0.147	47%	0.471	C	S	.	.	H	α-helix	trans	-70.3	-36.3	176.6	-166.4	66.4	0	0	0	112.2	F30 V33 A34 D40 K41 D42 F47 S48	F30-L44 HydrophobicContact CE2-CD1 4Å; F30-L44 HydrophobicContact CE2-CG 4.1Å; F30-L44 HydrophobicContact CZ-CD1 4.07Å; F30-L44 HydrophobicContact CZ-CD2 4.11Å; F30-L44 HydrophobicContact CZ-CG 3.88Å; V33-L44 HydrophobicContact CG1-CD1 4.23Å; A34-L44 HydrophobicContact CB-CD1 3.95Å; A34-L44 HydrophobicContact CB-CD2 4.01Å; D40-L44 PolarHBondContact O-N 2.85Å; K41-L44 PolarHBondContact O-N 3.44Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 2.81Å; L44-F47 PolarHBondContact O-N 3.33Å; L44-S48 PolarHBondContact O-N 3.2Å
45	E	78.8	Confident	76.2	Confident	135 Å²	135	93.1 Å²	93.1	63%	0.631	49%	0.486	S	S	*	.	H	α-helix	trans	-69	-43.8	176.5	-167.1	172.3	-172.7	0	0	111.4	K41 D42 F47 S48	K41-E45 PolarHBondContact O-N 2.86Å; D42-E45 PolarHBondContact O-N 3.44Å; E45-F47 VanDerWaalsContact C-N 3.3Å; E45-F47 PolarHBondContact O-N 3.25Å; E45-S48 PolarHBondContact O-N 3.27Å; E45-S48 PolarHBondContact O-OG 2.76Å
46	E	82.2	Confident	74.1	Confident	120 Å²	120	93.5 Å²	93.5	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-60.7	-40.7	170.9	-74.3	-170.6	176.4	0	0	111.7	D42 S48 Q49 F50	D42-E46 PolarHBondContact O-N 3.14Å; E46-S48 VanDerWaalsContact C-N 3.3Å; E46-S48 PolarHBondContact O-N 2.9Å; E46-Q49 PolarHBondContact O-N 3.42Å; E46-F50 VanDerWaalsContact O-CD2 3.28Å; E46-F50 WeakPolarHBondContact O-CD2 3.5Å; E46-F50 WeakPolarHBondContact O-CE2 3.34Å
47	F	81.6	Confident	72.1	Confident	31 Å²	31	95.5 Å²	95.5	14%	0.136	50%	0.5	C	S	.	.	H	α-helix	trans	-62.7	-36.8	178	-172.5	-102.5	0	0	0	112.6	L4 V29 F30 V33 L43 L44 E45 Q49 F50 L51	L4-F47 HydrophobicContact CD2-CE2 3.92Å; L4-F47 HydrophobicContact CD2-CZ 4.03Å; V29-F47 HydrophobicContact CG1-CE1 4.06Å; V29-F47 HydrophobicContact CG1-CZ 3.78Å; F30-F47 HydrophobicContact CD2-CD1 4.15Å; V33-F47 HydrophobicContact CB-CD1 4.02Å; V33-F47 HydrophobicContact CB-CE1 3.76Å; V33-F47 HydrophobicContact CB-CZ 4.22Å; V33-F47 HydrophobicContact CG1-CB 4.47Å; V33-F47 HydrophobicContact CG1-CD1 3.55Å; V33-F47 HydrophobicContact CG1-CD2 4.15Å; V33-F47 HydrophobicContact CG1-CE1 3.74Å; V33-F47 HydrophobicContact CG1-CE2 4.33Å; V33-F47 HydrophobicContact CG1-CG 3.77Å; V33-F47 HydrophobicContact CG1-CZ 4.14Å; V33-F47 HydrophobicContact CG2-CD1 4.4Å; V33-F47 HydrophobicContact CG2-CE1 3.72Å; V33-F47 HydrophobicContact CG2-CE2 4.31Å; V33-F47 HydrophobicContact CG2-CZ 3.68Å; L43-F47 VanDerWaalsContact O-CB 3.27Å; L43-F47 WeakPolarHBondContact O-CB 3.16Å; L43-F47 PolarHBondContact O-N 2.76Å; L44-F47 PolarHBondContact O-N 3.33Å; E45-F47 VanDerWaalsContact C-N 3.3Å; E45-F47 PolarHBondContact O-N 3.25Å; F47-Q49 PolarHBondContact O-N 3.13Å; F47-F50 PolarHBondContact O-N 3.37Å; F47-F50 VanDerWaalsContact O-N 3.1Å; F47-L51 HydrophobicContact CE1-CD1 3.91Å; F47-L51 HydrophobicContact CE1-CG 4.46Å
48	S	77.7	Confident	69.5	Low	27 Å²	27	100.9 Å²	100.9	19%	0.189	53%	0.526	C	S	.	.	H	α-helix	trans	-60.2	-27.5	179.6	77.4	0	0	0	0	113.4	L44 E45 E46 F50 L51	L44-S48 PolarHBondContact O-N 3.2Å; E45-S48 PolarHBondContact O-N 3.27Å; E45-S48 PolarHBondContact O-OG 2.76Å; E46-S48 VanDerWaalsContact C-N 3.3Å; E46-S48 PolarHBondContact O-N 2.9Å; S48-F50 PolarHBondContact O-N 2.85Å; S48-L51 PolarHBondContact O-N 3.43Å
49	Q	78.3	Confident	67.3	Low	155 Å²	155	104.6 Å²	104.6	72%	0.724	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.1	178.9	-61.7	178.2	21.6	0	0	113.4	E46 F47	E46-Q49 PolarHBondContact O-N 3.42Å; F47-Q49 PolarHBondContact O-N 3.13Å
50	F	71.5	Confident	65	Low	163 Å²	163	105.8 Å²	105.8	72%	0.715	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.3	-178.6	-67.2	-80.1	0	0	0	114	E46 F47 S48	E46-F50 VanDerWaalsContact O-CD2 3.28Å; E46-F50 WeakPolarHBondContact O-CD2 3.5Å; E46-F50 WeakPolarHBondContact O-CE2 3.34Å; F47-F50 PolarHBondContact O-N 3.37Å; F47-F50 VanDerWaalsContact O-N 3.1Å; S48-F50 PolarHBondContact O-N 2.85Å
51	L	76.3	Confident	62.6	Low	13 Å²	13	111.6 Å²	111.6	7%	0.068	56%	0.557	C	S	.	*			trans	-111	103.7	177.9	-65	176.2	0	0	0	109.7	D26 F30 F47 S48 D53 A54	D26-L51 HydrophobicContact CB-CD2 4.44Å; F30-L51 HydrophobicContact CB-CD1 3.94Å; F30-L51 HydrophobicContact CD2-CD1 4.2Å; F47-L51 HydrophobicContact CE1-CD1 3.91Å; F47-L51 HydrophobicContact CE1-CG 4.46Å; S48-L51 PolarHBondContact O-N 3.43Å; L51-D53 PolarHBondContact O-N 3.14Å; L51-D53 VanDerWaalsContact O-N 3.13Å; L51-A54 HydrophobicContact CB-CB 3.69Å; L51-A54 HydrophobicContact CD1-CB 4.09Å; L51-A54 PolarHBondContact O-N 3.02Å
52	P	60.7	Low	60.3	Low	114 Å²	114	109.1 Å²	109.1	74%	0.74	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-17.4	-172.2	20.9	-28.7	0	0	0	114.9
53	D	57.8	Low	57.8	Low	88 Å²	88	109.6 Å²	109.6	47%	0.471	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124	14.5	-177.2	-65.7	-28.2	0	0	0	114.3	L51 P55	L51-D53 PolarHBondContact O-N 3.14Å; L51-D53 VanDerWaalsContact O-N 3.13Å; D53-P55 WeakPolarHBondContact O-CD 3.29Å
54	A	54.5	Low	55.5	Low	26 Å²	26	111.9 Å²	111.9	22%	0.215	59%	0.588	C	S	.	*			trans	-79.4	119.4	179.7	0	0	0	0	0	111.7	L51 L56	L51-A54 HydrophobicContact CB-CB 3.69Å; L51-A54 HydrophobicContact CD1-CB 4.09Å; L51-A54 PolarHBondContact O-N 3.02Å; A54-L56 PolarHBondContact O-N 2.82Å
55	P	48.1	Very low	53.1	Low	87 Å²	87	116 Å²	116	57%	0.565	62%	0.618	S	S	*	*			trans	-68.9	123.6	177.8	25.1	-30	0	0	0	110.7	D53 M57	D53-P55 WeakPolarHBondContact O-CD 3.29Å; P55-M57 PolarHBondContact O-N 2.81Å
56	L	41.2	Very low	51.1	Low	161 Å²	161	115.7 Å²	115.7	84%	0.843	63%	0.626	S	S	*	*			trans	-62.5	80.5	166.8	-81.8	161.8	0	0	0	109.9	A54 Q58	A54-L56 PolarHBondContact O-N 2.82Å; L56-Q58 PolarHBondContact O-N 3.32Å
57	M	41.6	Very low	48.8	Very low	161 Å²	161	116.3 Å²	116.3	79%	0.793	64%	0.637	S	S	*	*			trans	-80.8	105.1	169	-69.1	-156.3	85.9	0	0	109.8	P55	P55-M57 PolarHBondContact O-N 2.81Å
58	Q	31.8	Very low	46.4	Very low	183 Å²	183	119.1 Å²	119.1	86%	0.855	67%	0.666	S	S	*	*			trans	-10	116.3	162.5	-65.2	168.3	-21.4	0	0	116.3	L56	L56-Q58 PolarHBondContact O-N 3.32Å
59	L	34.3	Very low	44.3	Very low	150 Å²	150	122 Å²	122	79%	0.785	69%	0.692	S	S	*	*			trans	-120.4	70.7	163.7	-102.5	140.6	0	0	0	109.3
60	E	34.6	Very low	41.9	Very low	180 Å²	180	120.8 Å²	120.8	84%	0.841	70%	0.695	S	S	*	*			trans	-96	108.6	169.3	-75.9	-164.4	146.5	0	0	111.9
61	K	30.7	Very low	40	Very low	197 Å²	197	118.8 Å²	118.8	86%	0.857	70%	0.701	S	S	*	*				70.1	160.8	128.2	-97.3	-171.6	179.7	172	0	122.2
62	P	34.2	Very low	37.7	Very low	107 Å²	107	124.2 Å²	124.2	70%	0.695	74%	0.735	S	S	*	*				-135.9	-164.5	-117.9	40.2	-17.7	0	0	0	115.6
63	S	31.5	Very low	36.2	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	73%	0.733	S	S	*	*			trans	116.9	162.1	147.4	84.1	0	0	0	0	117.9
64	P	34.9	Very low	34.7	Very low	112 Å²	112	125.5 Å²	125.5	73%	0.727	74%	0.744	S	S	*	*				-137.3	-169.6	-101	34.1	-9.5	0	0	0	115.6
65	S	32.4	Very low	33.7	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	77%	0.774	S	S	*	*			trans	83	141.7	174	86.3	0	0	0	0	115.7
66	V	36.7	Very low	32.8	Very low	130 Å²	130	132 Å²	132	79%	0.788	78%	0.78	S	S	*	*			cis	-150.1	164.9	47.6	169.9	0	0	0	0	111.4
67	V	33.9	Very low	32.5	Very low	133 Å²	133	130.7 Å²	130.7	81%	0.806	78%	0.779	S	S	*	*			trans	-77.8	162.5	-164.9	-140.5	0	0	0	0	116.6
68	A	32.6	Very low	32.1	Very low	90 Å²	90	128.2 Å²	128.2	74%	0.744	77%	0.773	S	S	*	*			trans	99.4	114.5	138.1	0	0	0	0	0	121.8
69	A	31.7	Very low	32.3	Very low	87 Å²	87	125.3 Å²	125.3	72%	0.719	77%	0.768	S	S	*	*				78.3	109.7	123.2	0	0	0	0	0	121.7
70	T	28	Very low	32.3	Very low	130 Å²	130	123.8 Å²	123.8	80%	0.798	77%	0.765	S	S	*	*				68.9	110	125.3	-37.6	0	0	0	0	119.1
71	S	32.1	Very low	32.3	Very low	120 Å²	120	120.6 Å²	120.6	84%	0.839	76%	0.758	S	S	*	*				179.5	141.8	123.2	30.3	0	0	0	0	113.2
72	T	27.7	Very low	32.4	Very low	127 Å²	127	117.3 Å²	117.3	78%	0.779	75%	0.754	S	S	*	*			trans	-75.5	160.8	-178.4	-36.2	0	0	0	0	112.4
73	T	29	Very low	32.4	Very low	113 Å²	113	116.9 Å²	116.9	69%	0.693	75%	0.754	S	S	*	*			trans	95.5	107.2	143.6	-40.8	0	0	0	0	119.2
74	T	27.9	Very low	32.6	Very low	117 Å²	117	117 Å²	117	72%	0.718	76%	0.755	S	S	*	*			trans	9.1	136.3	143.3	47.6	0	0	0	0	122.6
75	T	31.9	Very low	32.5	Very low	137 Å²	137	116.4 Å²	116.4	84%	0.84	75%	0.754	S	S	*	*			trans	-158.7	112.4	141.2	7.3	0	0	0	0	108.4
76	T	30.8	Very low	32.6	Very low	113 Å²	113	116.5 Å²	116.5	69%	0.693	75%	0.754	S	S	*	*				70.1	117.4	66	-25.5	0	0	0	0	116
77	T	34.1	Very low	32.4	Very low	133 Å²	133	115.1 Å²	115.1	82%	0.816	75%	0.75	S	S	*	*			trans	-169.1	100.4	143.7	20.8	0	0	0	0	108.7
78	T	34	Very low	32.4	Very low	109 Å²	109	114.1 Å²	114.1	67%	0.669	75%	0.749	S	S	*	*				76.6	121.6	91.1	52.1	0	0	0	0	114.1
79	T	35.3	Very low	32.5	Very low	121 Å²	121	117.9 Å²	117.9	74%	0.742	75%	0.749	S	S	*	*				180	132.9	73.8	26	0	0	0	0	113
80	T	34.3	Very low	32.6	Very low	119 Å²	119	120.3 Å²	120.3	73%	0.73	75%	0.745	S	S	*	*			trans	33.4	143.6	132.2	51	0	0	0	0	121.4
81	T	34.2	Very low	32.8	Very low	113 Å²	113	120.1 Å²	120.1	69%	0.693	74%	0.744	S	S	*	*			cis	177.4	160.6	24	13.3	0	0	0	0	111.2
82	T	33.1	Very low	32.6	Very low	127 Å²	127	119.1 Å²	119.1	78%	0.779	74%	0.743	S	S	*	*			trans	67.1	144.7	149	50.5	0	0	0	0	120.9
83	S	34.5	Very low	32.9	Very low	99 Å²	99	122.9 Å²	122.9	69%	0.692	75%	0.748	S	S	*	*			cis	174.1	156.2	-16.7	45.9	0	0	0	0	108.3
84	S	35.4	Very low	32.9	Very low	113 Å²	113	122.8 Å²	122.8	79%	0.79	75%	0.753	S	S	*	*			trans	78.7	149.9	157.9	80.2	0	0	0	0	119.2
85	S	33	Very low	33.4	Very low	101 Å²	101	124.1 Å²	124.1	71%	0.706	76%	0.76	S	S	*	*			cis	175.5	162.6	-23.4	52	0	0	0	0	108.7
86	S	35.6	Very low	33.2	Very low	115 Å²	115	124.4 Å²	124.4	80%	0.804	76%	0.756	S	S	*	*			trans	89.5	150.4	159.4	80.2	0	0	0	0	119.7
87	S	32.4	Very low	33.3	Very low	101 Å²	101	123.8 Å²	123.8	71%	0.706	76%	0.763	S	S	*	*			cis	175.5	138.6	-47.3	54.3	0	0	0	0	109.5
88	S	33.2	Very low	32.9	Very low	111 Å²	111	123.5 Å²	123.5	78%	0.776	76%	0.761	S	S	*	*			trans	77.6	126.8	142.1	-44.9	0	0	0	0	124.4
89	K	35.2	Very low	32.9	Very low	170 Å²	170	124.5 Å²	124.5	74%	0.739	77%	0.767	S	S	*	*			trans	148.2	140.6	131.2	-85.8	-178.5	170.2	-117.1	0	110.4
90	E	32.6	Very low	32.8	Very low	137 Å²	137	124.6 Å²	124.6	64%	0.64	77%	0.767	S	S	*	*			cis	-170	138.3	4.9	-121.4	158.1	-173.6	0	0	108.9
91	T	31.7	Very low	32.6	Very low	127 Å²	127	125.4 Å²	125.4	78%	0.779	77%	0.767	S	S	*	*			trans	47.3	124.4	141.2	58.4	0	0	0	0	122
92	A	29.1	Very low	32.5	Very low	98 Å²	98	127 Å²	127	81%	0.81	77%	0.772	S	S	*	*			cis	91.8	113	43.7	0	0	0	0	0	116.8
93	K	34.1	Very low	32.4	Very low	206 Å²	206	124.6 Å²	124.6	90%	0.896	77%	0.772	S	S	*	*			trans	179	101.7	147	-112.1	177.3	177.8	176.1	0	108.2
94	S	29	Very low	32.1	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	78%	0.782	S	S	*	*				55.8	111.1	73.3	-179.9	0	0	0	0	114.2
95	V	37.8	Very low	31.8	Very low	144 Å²	144	133.2 Å²	133.2	87%	0.873	79%	0.786	S	S	*	*				-160.4	133.1	115.3	178.3	0	0	0	0	109.4
96	D	28.4	Very low	31.6	Very low	143 Å²	143	134.6 Å²	134.6	77%	0.765	79%	0.79	S	S	*	*			trans	-74.7	151	177.3	-124.7	-25.4	0	0	0	113.3
97	A	32.4	Very low	31.4	Very low	101 Å²	101	135.3 Å²	135.3	84%	0.835	79%	0.789	S	S	*	*			trans	179	102.9	140.9	0	0	0	0	0	111.8
98	T	26.9	Very low	31.2	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	79%	0.788	S	S	*	*			trans	-76.3	130	162.9	43.4	0	0	0	0	111.9
99	V	32.1	Very low	30.9	Very low	131 Å²	131	138.6 Å²	138.6	79%	0.794	80%	0.795	S	S	*	*			trans	-151.4	108.1	151	179.1	0	0	0	0	110.8
100	T	34.2	Very low	30.5	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	79%	0.792	S	S	*	*			trans	26.5	122.7	143.6	65.1	0	0	0	0	123
101	D	29.9	Very low	30.5	Very low	136 Å²	136	134 Å²	134	73%	0.727	80%	0.799	S	S	*	*				44.8	115.5	119.1	-158.8	25.6	0	0	0	120.1
102	N	31.9	Very low	30.2	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	81%	0.808	S	S	*	*				165.1	132.3	122.3	-86.5	-54	0	0	0	112.3
103	G	31.2	Very low	30.3	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	80%	0.802	S	S	*	*			trans	102.1	100.8	141.7	0	0	0	0	0	118.4
104	E	27.6	Very low	30	Very low	194 Å²	194	134.5 Å²	134.5	91%	0.907	80%	0.799	S	S	*	*			trans	-48.5	136.8	161.1	-67	166.5	120.3	0	0	113.1
105	K	30.4	Very low	30.3	Very low	200 Å²	200	135.3 Å²	135.3	87%	0.87	80%	0.802	S	S	*	*			trans	-150.5	108.5	144	-128.2	173.6	-174.1	177.7	0	112.7
106	V	28.4	Very low	30	Very low	130 Å²	130	132.7 Å²	132.7	79%	0.788	80%	0.795	S	S	*	*			trans	-49.7	130.7	163.4	176.5	0	0	0	0	110.7
107	V	30.6	Very low	30.1	Very low	129 Å²	129	132.7 Å²	132.7	78%	0.782	80%	0.8	S	S	*	*			trans	-129.2	119.7	163.6	-176.8	0	0	0	0	108.9
108	P	28.9	Very low	30.1	Very low	107 Å²	107	131.7 Å²	131.7	70%	0.695	80%	0.8	S	S	*	*			trans	-84.9	140.4	177.1	31.4	-28.7	0	0	0	111.8	S110	P108-S110 PolarHBondContact O-N 2.94Å
109	L	25.8	Very low	30.2	Very low	175 Å²	175	135.7 Å²	135.7	92%	0.916	81%	0.81	S	S	*	*			trans	-65.2	117.6	169	-86.5	87.4	0	0	0	110.4
110	S	27.8	Very low	30.2	Very low	99 Å²	99	133.2 Å²	133.2	69%	0.692	81%	0.811	S	S	*	*			trans	-168.3	111.6	155.1	-70.7	0	0	0	0	109.1	P108	P108-S110 PolarHBondContact O-N 2.94Å
111	S	31.4	Very low	30.1	Very low	112 Å²	112	136 Å²	136	78%	0.783	82%	0.821	S	S	*	*			trans	159.2	107.2	139.4	44.7	0	0	0	0	109.7
112	E	26	Very low	30.3	Very low	208 Å²	208	133.1 Å²	133.1	97%	0.972	82%	0.824	S	S	*	*			trans	-86.3	107	161	-163.5	159.3	-162.1	0	0	105.5
113	S	32.3	Very low	30.4	Very low	97 Å²	97	133.4 Å²	133.4	68%	0.678	83%	0.825	S	S	*	*			trans	-129.4	117	170.7	38.3	0	0	0	0	108.8
114	T	27.8	Very low	30.6	Very low	136 Å²	136	137.3 Å²	137.3	83%	0.834	83%	0.827	S	S	*	*			trans	-44.9	135.2	164.6	37.5	0	0	0	0	112.4
115	P	33.9	Very low	30.8	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	82%	0.822	S	S	*	*			trans	-92.6	123.8	165.8	31.9	-24.8	0	0	0	110.5
116	A	32.4	Very low	30.7	Very low	88 Å²	88	135.5 Å²	135.5	73%	0.727	82%	0.819	S	S	*	*			trans	-76.7	136.2	164.3	0	0	0	0	0	110.2
117	T	29.6	Very low	30.7	Very low	143 Å²	143	137.6 Å²	137.6	88%	0.877	82%	0.82	S	S	*	*			trans	21.5	115.2	145.9	48.1	0	0	0	0	119
118	G	32.2	Very low	30.6	Very low	81 Å²	81	136.7 Å²	136.7	84%	0.835	82%	0.817	S	S	*	*			trans	-152.3	112.8	159.1	0	0	0	0	0	109.3
119	E	28.8	Very low	30.7	Very low	210 Å²	210	138.5 Å²	138.5	98%	0.981	82%	0.82	S	S	*	*			trans	-62.2	148	177.9	-63.3	166.6	143.3	0	0	111.8
120	G	33.1	Very low	31	Very low	78 Å²	78	140.2 Å²	140.2	80%	0.804	81%	0.814	S	S	*	*			trans	174.8	89.5	175.5	0	0	0	0	0	112.3
121	D	32.1	Very low	31	Very low	180 Å²	180	140.8 Å²	140.8	96%	0.963	82%	0.818	S	S	*	*			trans	-47.4	143.5	170	-85.3	-45.8	0	0	0	113.7
122	G	34.1	Very low	31.2	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	82%	0.823	S	S	*	*			trans	179.4	71.4	176.9	0	0	0	0	0	113.1
123	D	33	Very low	31.4	Very low	153 Å²	153	141 Å²	141	82%	0.818	82%	0.816	S	S	*	*			trans	-29.1	136.6	164.9	-128.5	-21.3	0	0	0	115.1
124	L	35.3	Very low	31.5	Very low	158 Å²	158	148 Å²	148	83%	0.827	83%	0.827	S	S	*	*			trans	177.6	97.5	133.6	-92.4	163.8	0	0	0	112.8
125	K	33.6	Very low	31.5	Very low	185 Å²	185	150.4 Å²	150.4	80%	0.804	83%	0.826	S	S	*	*			trans	50.9	111.8	135	-78.9	177	174.7	171.7	0	121.7
126	E	26.6	Very low	31.5	Very low	171 Å²	171	156.5 Å²	156.5	80%	0.799	83%	0.832	S	S	*	*			trans	-22.3	141.4	139.1	-58	178.3	139	0	0	116.4
127	Q	29.3	Very low	31.2	Very low	175 Å²	175	162 Å²	162	82%	0.818	84%	0.84	S	S	*	*				-174.6	143.4	94.6	-94.3	-176.1	7.3	0	0	113.1
128	P	29.5	Very low	31	Very low	110 Å²	110	161.2 Å²	161.2	71%	0.714	84%	0.839	S	S	*	*			trans	-91.2	174.4	-177.1	38.9	-34.1	0	0	0	111.3
129	L	29.5	Very low	30.9	Very low	144 Å²	144	163.4 Å²	163.4	75%	0.754	84%	0.839	S	S	*	*			trans	-179.3	135.7	145.7	-94.4	157.6	0	0	0	113.7
130	R	31.9	Very low	30.8	Very low	211 Å²	211	158.1 Å²	158.1	80%	0.796	83%	0.83	S	S	*	*			trans	73.5	100.7	145.2	-71	171.7	178.2	-173.4	2.6	119
131	S	28.8	Very low	30.6	Very low	111 Å²	111	159.4 Å²	159.4	78%	0.776	83%	0.833	S	S	*	*				74.7	107.9	77.7	77	0	0	0	0	115.7
132	A	34.9	Very low	30.5	Very low	106 Å²	106	155 Å²	155	88%	0.876	82%	0.822	S	S	*	*			trans	-162.9	104.8	142.8	0	0	0	0	0	111.9
133	R	31.6	Very low	30.4	Very low	220 Å²	220	156.5 Å²	156.5	83%	0.83	82%	0.818	S	S	*	*			trans	-62.9	133.4	170.1	169.1	-176.5	177.7	178	-0.5	111.8
134	R	33	Very low	30.7	Very low	244 Å²	244	155.4 Å²	155.4	92%	0.921	82%	0.819	S	S	*	*			trans	-159.7	114.4	139.2	-110.5	168.6	-179.5	-159.9	-1.3	112.7
135	K	28.7	Very low	30.7	Very low	186 Å²	186	153.4 Å²	153.4	81%	0.809	81%	0.813	S	S	*	*			trans	-57.7	129.9	172.8	-69.2	176.4	173.4	-178	0	110.9
136	R	33	Very low	30.5	Very low	256 Å²	256	150.7 Å²	150.7	97%	0.966	82%	0.815	S	S	*	*			trans	-133.3	139.1	150.4	-80.8	-171.4	165.3	176.7	-4.4	109.3
137	K	26.6	Very low	30.9	Very low	204 Å²	204	151.9 Å²	151.9	89%	0.887	81%	0.813	S	S	*	*			trans	-108	122.6	-168.8	-178.6	-178	-173	-176.9	0	106.3
138	C	26.1	Very low	31.3	Very low	126 Å²	126	146.4 Å²	146.4	85%	0.851	79%	0.794	S	S	*	*			trans	-155.1	157	170.8	-89.3	0	0	0	0	110
139	P	28.8	Very low	31.4	Very low	128 Å²	128	148.2 Å²	148.2	83%	0.831	79%	0.793	S	S	*	*				-106.2	-177.7	-125.9	39.9	-36.1	0	0	0	115.7
140	A	27.7	Very low	31.7	Very low	98 Å²	98	147.4 Å²	147.4	81%	0.81	79%	0.794	S	S	*	*			trans	-45.7	150.7	-173.9	0	0	0	0	0	117.1	A142	A140-A142 PolarHBondContact O-N 3.43Å
141	A	27.6	Very low	32.2	Very low	105 Å²	105	142.6 Å²	142.6	87%	0.868	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-47	124.7	176.2	0	0	0	0	0	113.6
142	A	30.1	Very low	32.3	Very low	87 Å²	87	142.9 Å²	142.9	72%	0.719	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-93	145	160.6	0	0	0	0	0	108.8	A140	A140-A142 PolarHBondContact O-N 3.43Å
143	P	33.3	Very low	32.3	Very low	109 Å²	109	143 Å²	143	71%	0.708	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-66.2	155.6	176.4	31.2	-33.7	0	0	0	109.9	V145	P143-V145 PolarHBondContact O-N 3.36Å; P143-V145 VanDerWaalsContact O-N 3.17Å
144	P	39.3	Very low	32.8	Very low	130 Å²	130	139.7 Å²	139.7	84%	0.844	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-63.1	122.2	176.4	26.3	-31.1	0	0	0	109.6
145	V	34.4	Very low	33.1	Very low	115 Å²	115	134.4 Å²	134.4	70%	0.697	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-66.4	134.6	178	-169.3	0	0	0	0	109.3	P143 Y147	P143-V145 PolarHBondContact O-N 3.36Å; P143-V145 VanDerWaalsContact O-N 3.17Å; V145-Y147 PolarHBondContact O-N 3.11Å
146	P	30.4	Very low	33.5	Very low	128 Å²	128	134.9 Å²	134.9	83%	0.831	73%	0.731	S	S	*	*			trans	-73.4	112.6	170.8	29.5	-29.1	0	0	0	108.5
147	Y	35.2	Very low	33.9	Very low	197 Å²	197	126.6 Å²	126.6	77%	0.773	71%	0.71	S	S	*	*			trans	-143.7	131.7	-178.6	-153.6	-94.3	0	0	0	107.8	V145	V145-Y147 PolarHBondContact O-N 3.11Å
148	S	37.4	Very low	34.8	Very low	59 Å²	59	124.7 Å²	124.7	41%	0.413	70%	0.697	S	S	.	*			cis	-170.9	121.4	-3.9	52.5	0	0	0	0	107.5	T150	S148-T150 PolarHBondContact O-N 3.13Å
149	E	30.4	Very low	35.8	Very low	149 Å²	149	121.7 Å²	121.7	70%	0.696	68%	0.677	S	S	*	*			trans	46.8	-9.3	135.9	-68.9	-178.1	152	0	0	125.4
150	T	37	Very low	36.7	Very low	127 Å²	127	117.5 Å²	117.5	78%	0.779	65%	0.653	S	S	*	*	S	Bend	trans	-93.9	-7.2	-176.1	-30.7	0	0	0	0	115	S148	S148-T150 PolarHBondContact O-N 3.13Å
151	I	41.2	Very low	37.8	Very low	109 Å²	109	115.5 Å²	115.5	56%	0.559	64%	0.637	S	S	*	*	S	Bend	trans	-124.1	13.7	173.7	-48.4	177.2	0	0	0	110.8	T153	I151-T153 VanDerWaalsContact C-N 3.25Å; I151-T153 PolarHBondContact O-N 3.49Å
152	M	32.3	Very low	39.1	Very low	118 Å²	118	113 Å²	113	58%	0.581	62%	0.616	S	S	*	*	H	α-helix	trans	-77.9	-4.4	179.1	-76.2	-141.5	174.7	0	0	114.5	R156	M152-R156 PolarHBondContact O-N 2.87Å
153	T	35.1	Very low	40.4	Very low	107 Å²	107	115.1 Å²	115.1	66%	0.656	61%	0.611	S	S	*	*	H	α-helix	trans	-76	-28	176.1	53.7	0	0	0	0	112.6	I151 T157	I151-T153 VanDerWaalsContact C-N 3.25Å; I151-T153 PolarHBondContact O-N 3.49Å; T153-T157 WeakPolarHBondContact O-CG2 3.41Å; T153-T157 PolarHBondContact O-N 3.07Å; T153-T157 PolarHBondContact O-OG1 3.44Å
154	R	41.4	Very low	41.6	Very low	151 Å²	151	114.4 Å²	114.4	57%	0.57	60%	0.6	S	S	*	*	H	α-helix	trans	-87.2	-30.7	178	-82.6	-174.9	179	-177.6	-0.7	115.3	T157 R158 E354	R154-T157 VanDerWaalsContact CA-OG1 3.26Å; R154-T157 WeakPolarHBondContact CA-OG1 3.27Å; R154-T157 PolarHBondContact O-N 3.15Å; R154-T157 PolarHBondContact O-OG1 2.81Å; R154-R158 PolarHBondContact O-N 3.46Å; R154-E354 IonicContact NH1-OE2 3.7Å; R154-E354 PolarHBondContact NH1-OE2 2.99Å
155	K	39.7	Very low	42.5	Very low	134 Å²	134	110.9 Å²	110.9	58%	0.583	58%	0.583	S	S	*	*	H	α-helix	trans	-72.4	-36.9	176.4	-133.6	167	-173.7	163.7	0	111	S159 E351	K155-S159 PolarHBondContact O-N 3.41Å; K155-S159 PolarHBondContact O-OG 3.39Å; K155-E351 IonicContact NZ-OE1 2.91Å
156	R	36.7	Very low	43.8	Very low	195 Å²	195	115 Å²	115	74%	0.736	59%	0.585	S	S	*	*	H	α-helix	trans	-63.5	-42.9	167.3	-87.9	-179.4	158.8	164.5	-4.7	111.7	M152 S159 A160	M152-R156 PolarHBondContact O-N 2.87Å; R156-S159 PolarHBondContact O-N 2.81Å; R156-S159 PolarHBondContact O-OG 2.92Å; R156-A160 WeakPolarHBondContact O-CB 3.39Å; R156-A160 PolarHBondContact O-N 2.93Å
157	T	42.1	Very low	45.1	Very low	83 Å²	83	115 Å²	115	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-70.9	-30.6	177.5	58.2	0	0	0	0	113.9	T153 R154 A161	T153-T157 WeakPolarHBondContact O-CG2 3.41Å; T153-T157 PolarHBondContact O-N 3.07Å; T153-T157 PolarHBondContact O-OG1 3.44Å; R154-T157 VanDerWaalsContact CA-OG1 3.26Å; R154-T157 WeakPolarHBondContact CA-OG1 3.27Å; R154-T157 PolarHBondContact O-N 3.15Å; R154-T157 PolarHBondContact O-OG1 2.81Å; T157-A161 WeakPolarHBondContact O-CA 3.44Å; T157-A161 WeakPolarHBondContact O-CB 3.17Å; T157-A161 PolarHBondContact O-N 3.44Å
158	R	44.5	Very low	46.1	Very low	164 Å²	164	109.7 Å²	109.7	62%	0.619	56%	0.56	S	S	*	*	H	α-helix	trans	-67.9	-42.8	170.6	-96	-178.1	159.7	-174.5	-4.6	111.8	R154 A161 A162 D350	R154-R158 PolarHBondContact O-N 3.46Å; R158-A161 PolarHBondContact O-N 2.81Å; R158-A162 VanDerWaalsContact O-CB 3.28Å; R158-A162 WeakPolarHBondContact O-CB 3.43Å; R158-A162 PolarHBondContact O-N 2.93Å; R158-D350 IonicContact CZ-OD2 3.62Å; R158-D350 IonicContact NH1-OD2 2.79Å; R158-D350 PolarHBondContact NH1-OD2 2.84Å; R158-D350 IonicContact NH2-OD2 3.91Å
159	S	46.9	Very low	46.9	Very low	63 Å²	63	109.4 Å²	109.4	44%	0.441	56%	0.561	S	S	.	*	H	α-helix	trans	-68.7	-38	175.5	72.9	0	0	0	0	112.7	K155 R156 A162 Q163	K155-S159 PolarHBondContact O-N 3.41Å; K155-S159 PolarHBondContact O-OG 3.39Å; R156-S159 PolarHBondContact O-N 2.81Å; R156-S159 PolarHBondContact O-OG 2.92Å; S159-A162 PolarHBondContact O-N 3.42Å; S159-Q163 WeakPolarHBondContact O-CB 3.34Å; S159-Q163 PolarHBondContact O-N 2.97Å
160	A	47.2	Very low	47.9	Very low	39 Å²	39	105.2 Å²	105.2	32%	0.322	55%	0.551	S	S	.	*	H	α-helix	trans	-71.7	-37	175.2	0	0	0	0	0	111.3	R156 Q163 L164	R156-A160 WeakPolarHBondContact O-CB 3.39Å; R156-A160 PolarHBondContact O-N 2.93Å; A160-Q163 PolarHBondContact O-N 3.31Å; A160-L164 VanDerWaalsContact O-CB 3.23Å; A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 3.03Å
161	A	51.6	Low	48.5	Very low	57 Å²	57	104.6 Å²	104.6	47%	0.471	54%	0.543	S	S	.	.	H	α-helix	trans	-69	-35.5	172.9	0	0	0	0	0	111.7	T157 R158 A165	T157-A161 WeakPolarHBondContact O-CA 3.44Å; T157-A161 WeakPolarHBondContact O-CB 3.17Å; T157-A161 PolarHBondContact O-N 3.44Å; R158-A161 PolarHBondContact O-N 2.81Å; A161-A165 WeakPolarHBondContact O-CB 3.31Å; A161-A165 PolarHBondContact O-N 3.38Å
162	A	55.1	Low	48.9	Very low	51 Å²	51	103.3 Å²	103.3	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-70.3	-37	172.1	0	0	0	0	0	112.2	R158 S159 R166	R158-A162 VanDerWaalsContact O-CB 3.28Å; R158-A162 WeakPolarHBondContact O-CB 3.43Å; R158-A162 PolarHBondContact O-N 2.93Å; S159-A162 PolarHBondContact O-N 3.42Å; A162-R166 WeakPolarHBondContact O-CB 3.2Å; A162-R166 VanDerWaalsContact O-CG 3.31Å; A162-R166 WeakPolarHBondContact O-CG 3.27Å; A162-R166 PolarHBondContact O-N 3.17Å
163	Q	57.2	Low	49.4	Very low	132 Å²	132	106.5 Å²	106.5	62%	0.617	55%	0.551	S	S	*	*	H	α-helix	trans	-69.1	-42	172.1	-91.5	177.9	-38.4	0	0	112.3	S159 A160 R166 Q167	S159-Q163 WeakPolarHBondContact O-CB 3.34Å; S159-Q163 PolarHBondContact O-N 2.97Å; A160-Q163 PolarHBondContact O-N 3.31Å; Q163-R166 PolarHBondContact O-N 2.84Å; Q163-Q167 WeakPolarHBondContact O-CB 3.04Å; Q163-Q167 PolarHBondContact O-N 3.32Å
164	L	57.9	Low	49.9	Very low	94 Å²	94	110.8 Å²	110.8	49%	0.492	56%	0.56	S	S	.	*	H	α-helix	trans	-65.3	-39.1	172.7	-97.4	144.4	0	0	0	111.4	A160 R166 Q167 N168	A160-L164 VanDerWaalsContact O-CB 3.23Å; A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 3.03Å; L164-R166 VanDerWaalsContact C-N 3.34Å; L164-Q167 PolarHBondContact O-N 2.77Å; L164-N168 WeakPolarHBondContact O-CB 3.43Å; L164-N168 PolarHBondContact O-N 3.41Å; L164-N168 PolarHBondContact O-ND2 2.87Å; L164-N168 VanDerWaalsContact O-ND2 3.14Å
165	A	58.7	Low	49.8	Very low	57 Å²	57	107.4 Å²	107.4	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-65.2	-37.1	173.3	0	0	0	0	0	111.7	A161 A169	A161-A165 WeakPolarHBondContact O-CB 3.31Å; A161-A165 PolarHBondContact O-N 3.38Å; A165-A169 WeakPolarHBondContact O-CB 3.16Å; A165-A169 PolarHBondContact O-N 2.95Å
166	R	61.4	Low	49.5	Very low	200 Å²	200	107.4 Å²	107.4	76%	0.755	57%	0.566	S	S	*	*	H	α-helix	trans	-71	-40.4	173.4	-77.1	177.3	179.7	179.8	1.6	112.8	A162 Q163 L164 A169 A170	A162-R166 WeakPolarHBondContact O-CB 3.2Å; A162-R166 VanDerWaalsContact O-CG 3.31Å; A162-R166 WeakPolarHBondContact O-CG 3.27Å; A162-R166 PolarHBondContact O-N 3.17Å; Q163-R166 PolarHBondContact O-N 2.84Å; L164-R166 VanDerWaalsContact C-N 3.34Å; R166-A169 PolarHBondContact O-N 3.48Å; R166-A170 VanDerWaalsContact O-CB 3.26Å; R166-A170 WeakPolarHBondContact O-CB 3.44Å; R166-A170 PolarHBondContact O-N 2.92Å
167	Q	58.3	Low	49.4	Very low	129 Å²	129	106.9 Å²	106.9	60%	0.603	57%	0.572	S	S	*	*	H	α-helix	trans	-65.5	-42.8	173.6	-102	-179.4	-13.1	0	0	111.2	Q163 L164 A170 L171	Q163-Q167 WeakPolarHBondContact O-CB 3.04Å; Q163-Q167 PolarHBondContact O-N 3.32Å; L164-Q167 PolarHBondContact O-N 2.77Å; Q167-A170 PolarHBondContact O-N 3.32Å; Q167-L171 WeakPolarHBondContact O-CB 3.37Å; Q167-L171 WeakPolarHBondContact O-CG 3.41Å; Q167-L171 PolarHBondContact O-N 2.91Å
168	N	56	Low	49.1	Very low	86 Å²	86	110.1 Å²	110.1	46%	0.46	59%	0.586	S	S	.	*	H	α-helix	trans	-67.2	-38.7	176	-70.3	-24.3	0	0	0	111.4	L164 L171 V172	L164-N168 WeakPolarHBondContact O-CB 3.43Å; L164-N168 PolarHBondContact O-N 3.41Å; L164-N168 PolarHBondContact O-ND2 2.87Å; L164-N168 VanDerWaalsContact O-ND2 3.14Å; N168-L171 PolarHBondContact O-N 2.83Å; N168-V172 WeakPolarHBondContact O-CB 3.2Å; N168-V172 WeakPolarHBondContact O-CG2 3.42Å; N168-V172 PolarHBondContact O-N 3.41Å
169	A	54.5	Low	48.6	Very low	53 Å²	53	113.5 Å²	113.5	44%	0.438	60%	0.599	S	S	.	*	H	α-helix	trans	-68.7	-31.9	173.6	0	0	0	0	0	113	A165 R166 K173	A165-A169 WeakPolarHBondContact O-CB 3.16Å; A165-A169 PolarHBondContact O-N 2.95Å; R166-A169 PolarHBondContact O-N 3.48Å; A169-K173 WeakPolarHBondContact O-CB 3Å; A169-K173 WeakPolarHBondContact O-CG 3.39Å; A169-K173 PolarHBondContact O-N 3.49Å; A169-K173 VanDerWaalsContact O-N 3.15Å
170	A	50.5	Low	47.9	Very low	60 Å²	60	122 Å²	122	50%	0.496	62%	0.621	S	S	.	*	H	α-helix	trans	-75.4	-34.8	174.6	0	0	0	0	0	112.5	R166 Q167 K173 K174	R166-A170 VanDerWaalsContact O-CB 3.26Å; R166-A170 WeakPolarHBondContact O-CB 3.44Å; R166-A170 PolarHBondContact O-N 2.92Å; Q167-A170 PolarHBondContact O-N 3.32Å; A170-K173 PolarHBondContact O-N 3.49Å; A170-K174 PolarHBondContact O-N 2.68Å
171	L	49.7	Very low	47.3	Very low	114 Å²	114	127.6 Å²	127.6	60%	0.597	65%	0.646	S	S	*	*	H	α-helix	trans	-69.8	-39.4	172.9	-78.7	160.5	0	0	0	111.5	Q167 N168 K173 K174 S175	Q167-L171 WeakPolarHBondContact O-CB 3.37Å; Q167-L171 WeakPolarHBondContact O-CG 3.41Å; Q167-L171 PolarHBondContact O-N 2.91Å; N168-L171 PolarHBondContact O-N 2.83Å; L171-K173 VanDerWaalsContact C-N 3.3Å; L171-K173 PolarHBondContact O-N 3.26Å; L171-K174 PolarHBondContact O-N 3.4Å; L171-S175 PolarHBondContact O-N 3.48Å; L171-S175 PolarHBondContact O-OG 3.24Å
172	V	49.4	Very low	46.4	Very low	83 Å²	83	133.9 Å²	133.9	50%	0.503	67%	0.665	S	S	.	*	H	α-helix	trans	-68.4	-27.3	175	171.1	0	0	0	0	112.4	N168 N176	N168-V172 WeakPolarHBondContact O-CB 3.2Å; N168-V172 WeakPolarHBondContact O-CG2 3.42Å; N168-V172 PolarHBondContact O-N 3.41Å; V172-N176 WeakPolarHBondContact O-CB 3.5Å; V172-N176 PolarHBondContact O-ND2 3.27Å
173	K	44.6	Very low	45.4	Very low	185 Å²	185	141.5 Å²	141.5	80%	0.804	69%	0.689	S	S	*	*	H	α-helix	trans	-82.5	-14.7	173.6	-81.1	-177	176.3	-177.7	0	114.4	A169 A170 L171	A169-K173 WeakPolarHBondContact O-CB 3Å; A169-K173 WeakPolarHBondContact O-CG 3.39Å; A169-K173 PolarHBondContact O-N 3.49Å; A169-K173 VanDerWaalsContact O-N 3.15Å; A170-K173 PolarHBondContact O-N 3.49Å; L171-K173 VanDerWaalsContact C-N 3.3Å; L171-K173 PolarHBondContact O-N 3.26Å
174	K	45.4	Very low	44.2	Very low	197 Å²	197	144.4 Å²	144.4	86%	0.857	70%	0.699	S	S	*	*	H	α-helix	trans	-97.9	-3.9	176.9	-115.6	-179.9	177.9	-177.8	0	113.9	A170 L171	A170-K174 PolarHBondContact O-N 2.68Å; L171-K174 PolarHBondContact O-N 3.4Å
175	S	38.7	Very low	43	Very low	80 Å²	80	144.9 Å²	144.9	56%	0.559	71%	0.708	S	S	*	*	S	Bend	trans	-121.8	17.3	-176.1	72.5	0	0	0	0	114	L171	L171-S175 PolarHBondContact O-N 3.48Å; L171-S175 PolarHBondContact O-OG 3.24Å
176	N	33.6	Very low	42.1	Very low	133 Å²	133	151.9 Å²	151.9	71%	0.711	73%	0.728	S	S	*	*			trans	-117	26.6	-169.6	-107.4	-1.8	0	0	0	114.2	V172	V172-N176 WeakPolarHBondContact O-CB 3.5Å; V172-N176 PolarHBondContact O-ND2 3.27Å
177	E	35.2	Very low	41.5	Very low	185 Å²	185	153.2 Å²	153.2	86%	0.864	73%	0.733	S	S	*	*	S	Bend	trans	-108.2	0.7	177.7	-141.9	153.5	-156.1	0	0	113.7
178	D	34.1	Very low	41	Very low	151 Å²	151	154.2 Å²	154.2	81%	0.807	74%	0.743	S	S	*	*	S	Bend	trans	-150.9	138.3	172.9	-93.3	-41.4	0	0	0	111.1
179	R	35.4	Very low	41	Very low	235 Å²	235	154.8 Å²	154.8	89%	0.887	75%	0.749	S	S	*	*			trans	92.7	94.8	172	-56.8	-179.2	172.1	159.2	-1.6	117.6
180	R	30.5	Very low	41.8	Very low	241 Å²	241	155.6 Å²	155.6	91%	0.909	75%	0.749	S	S	*	*			trans	-61.5	118.6	144.9	-61.9	174.6	-164.9	-163.7	2.1	107.2
181	D	34.9	Very low	42.7	Very low	156 Å²	156	157.5 Å²	157.5	83%	0.834	75%	0.746	S	S	*	*			trans	-169.8	144	154.1	-88.2	-33.2	0	0	0	110.1
182	E	33.6	Very low	43.6	Very low	190 Å²	190	157.5 Å²	157.5	89%	0.888	75%	0.746	S	S	*	*			trans	-56.1	127.4	-164.2	-58.7	177.7	147	0	0	115.5
183	K	33.1	Very low	44.4	Very low	211 Å²	211	157.4 Å²	157.4	92%	0.917	74%	0.741	S	S	*	*			trans	-97.1	108.1	166.3	-91.9	179.1	178.1	169.1	0	110.7
184	K	32.1	Very low	45.7	Very low	192 Å²	192	155.1 Å²	155.1	84%	0.835	73%	0.728	S	S	*	*			trans	-55.4	139.2	170	-73.8	178.4	177.7	177.4	0	111.3
185	P	34.3	Very low	47	Very low	105 Å²	105	149.7 Å²	149.7	68%	0.682	71%	0.707	S	S	*	*			trans	-69.5	133.9	178	28.4	-32.6	0	0	0	110.5	R187	P185-R187 PolarHBondContact O-N 2.79Å; P185-R187 VanDerWaalsContact O-N 3.1Å
186	K	39	Very low	48.8	Very low	204 Å²	204	146.5 Å²	146.5	89%	0.887	68%	0.683	S	S	*	*			trans	-61.3	111.2	163.9	-75.7	179.7	175.9	-179.7	0	106.9	D188	K186-D188 PolarHBondContact O-N 3.06Å
187	R	47.7	Very low	50.7	Low	228 Å²	228	143.2 Å²	143.2	86%	0.86	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-77.8	118	178.3	-70.2	179	177.8	164.1	-2.3	108.7	P185	P185-R187 PolarHBondContact O-N 2.79Å; P185-R187 VanDerWaalsContact O-N 3.1Å
188	D	49.6	Very low	52.6	Low	149 Å²	149	137.5 Å²	137.5	80%	0.797	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-66	130.5	170.7	-70.7	-32.9	0	0	0	109.6	K186 T190	K186-D188 PolarHBondContact O-N 3.06Å; D188-T190 PolarHBondContact O-N 3.48Å
189	V	55.7	Low	54.5	Low	99 Å²	99	134.3 Å²	134.3	60%	0.6	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-69.4	119.7	177.3	178.8	0	0	0	0	108.6	Q193	V189-Q193 HydrophobicContact CG1-CB 4.01Å
190	T	70.3	Confident	56.4	Low	69 Å²	69	123.1 Å²	123.1	42%	0.423	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-69.4	147.2	173.7	9.6	0	0	0	0	110.2	D188 D192 Q193 Y194	D188-T190 PolarHBondContact O-N 3.48Å; T190-D192 PolarHBondContact O-N 2.99Å; T190-Q193 VanDerWaalsContact N-OE1 3.11Å; T190-Q193 WeakPolarHBondContact O-CA 2.98Å; T190-Q193 VanDerWaalsContact O-CB 3.29Å; T190-Q193 WeakPolarHBondContact O-CB 3.42Å; T190-Q193 PolarHBondContact O-N 3.05Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.29Å; T190-Q193 PolarHBondContact OG1-NE2 3.12Å; T190-Q193 PolarHBondContact OG1-OE1 3.49Å; T190-Y194 PolarHBondContact O-N 3.21Å
191	F	70.4	Confident	58.4	Low	100 Å²	100	120 Å²	120	44%	0.439	56%	0.563	S	S	.	*	H	α-helix	trans	-57.5	-33.7	179	176.3	-98.1	0	0	0	112.9	Q193 Y194 M195 R271	F191-Q193 VanDerWaalsContact C-N 3.3Å; F191-Q193 PolarHBondContact O-N 2.99Å; F191-Y194 WeakPolarHBondContact O-CB 3.34Å; F191-Y194 PolarHBondContact O-N 3.36Å; F191-M195 HydrophobicContact CD1-CG 4.03Å; F191-M195 HydrophobicContact CE1-CG 3.61Å; F191-M195 HydrophobicContact CE1-SD 4.32Å; F191-M195 HydrophobicContact CE2-CG 4.21Å; F191-M195 HydrophobicContact CE2-SD 4.32Å; F191-M195 HydrophobicContact CZ-CG 3.71Å; F191-M195 HydrophobicContact CZ-SD 3.85Å; F191-M195 WeakPolarHBondContact O-CG 3.34Å; F191-M195 PolarHBondContact O-N 3.33Å; F191-R271 VanDerWaalsContact CB-CZ 3.44Å
192	D	67.3	Low	60.2	Low	114 Å²	114	120.1 Å²	120.1	61%	0.61	55%	0.553	S	S	*	*	H	α-helix	trans	-66	-33.2	175	-60.5	-22.4	0	0	0	112.4	T190 F196	T190-D192 PolarHBondContact O-N 2.99Å; D192-F196 WeakPolarHBondContact O-CB 3.31Å; D192-F196 PolarHBondContact O-N 2.86Å
193	Q	68	Low	61.9	Low	82 Å²	82	113.1 Å²	113.1	38%	0.383	52%	0.523	S	S	.	.	H	α-helix	trans	-69.9	-37.9	173.1	-62.6	172.4	-14.6	0	0	111	V189 T190 F191 L197	V189-Q193 HydrophobicContact CG1-CB 4.01Å; T190-Q193 VanDerWaalsContact N-OE1 3.11Å; T190-Q193 WeakPolarHBondContact O-CA 2.98Å; T190-Q193 VanDerWaalsContact O-CB 3.29Å; T190-Q193 WeakPolarHBondContact O-CB 3.42Å; T190-Q193 PolarHBondContact O-N 3.05Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.29Å; T190-Q193 PolarHBondContact OG1-NE2 3.12Å; T190-Q193 PolarHBondContact OG1-OE1 3.49Å; F191-Q193 VanDerWaalsContact C-N 3.3Å; F191-Q193 PolarHBondContact O-N 2.99Å; Q193-L197 VanDerWaalsContact O-CG 3.32Å; Q193-L197 WeakPolarHBondContact O-CG 3.06Å; Q193-L197 PolarHBondContact O-N 3.49Å; Q193-L197 VanDerWaalsContact O-N 3.13Å
194	Y	72	Confident	63.6	Low	136 Å²	136	103.8 Å²	103.8	53%	0.533	48%	0.484	S	S	.	.	H	α-helix	trans	-65	-48.4	174.4	179.2	-91.7	0	0	0	111.9	T190 F191 F196 L197 E198	T190-Y194 PolarHBondContact O-N 3.21Å; F191-Y194 WeakPolarHBondContact O-CB 3.34Å; F191-Y194 PolarHBondContact O-N 3.36Å; Y194-F196 VanDerWaalsContact C-N 3.31Å; Y194-F196 PolarHBondContact O-N 3.23Å; Y194-L197 PolarHBondContact O-N 3.02Å; Y194-L197 VanDerWaalsContact O-N 3.16Å; Y194-E198 PolarHBondContact O-N 3.21Å
195	M	71.1	Confident	65.1	Low	84 Å²	84	100.7 Å²	100.7	41%	0.414	49%	0.486	S	S	.	.	H	α-helix	trans	-63	-36.4	178.8	-74.5	-61.1	-54.9	0	0	112.4	F191 E198 K199	F191-M195 HydrophobicContact CD1-CG 4.03Å; F191-M195 HydrophobicContact CE1-CG 3.61Å; F191-M195 HydrophobicContact CE1-SD 4.32Å; F191-M195 HydrophobicContact CE2-CG 4.21Å; F191-M195 HydrophobicContact CE2-SD 4.32Å; F191-M195 HydrophobicContact CZ-CG 3.71Å; F191-M195 HydrophobicContact CZ-SD 3.85Å; F191-M195 WeakPolarHBondContact O-CG 3.34Å; F191-M195 PolarHBondContact O-N 3.33Å; M195-E198 PolarHBondContact O-N 2.96Å; M195-K199 WeakPolarHBondContact O-CB 3.47Å; M195-K199 PolarHBondContact O-N 3.27Å
196	F	76.4	Confident	67	Low	12 Å²	12	99.5 Å²	99.5	5%	0.053	47%	0.474	C	S	.	.	H	α-helix	trans	-61.1	-48.9	171.8	171.2	-97.5	0	0	0	111.5	D192 Y194 E198 K199 L200 L217 F234 L244 W247 F248	D192-F196 WeakPolarHBondContact O-CB 3.31Å; D192-F196 PolarHBondContact O-N 2.86Å; Y194-F196 VanDerWaalsContact C-N 3.31Å; Y194-F196 PolarHBondContact O-N 3.23Å; F196-E198 VanDerWaalsContact C-N 3.27Å; F196-E198 PolarHBondContact O-N 3.03Å; F196-K199 PolarHBondContact O-N 2.95Å; F196-L200 HydrophobicContact CE1-CD1 3.73Å; F196-L200 HydrophobicContact CE2-CD1 4.31Å; F196-L200 HydrophobicContact CZ-CD1 3.55Å; F196-L200 VanDerWaalsContact O-CB 3.27Å; F196-L200 WeakPolarHBondContact O-CB 3.47Å; F196-L200 PolarHBondContact O-N 3.3Å; F196-L217 HydrophobicContact CE1-CD1 4.4Å; F196-F234 HydrophobicContact CZ-CE2 4.48Å; F196-L244 HydrophobicContact CD2-CD2 4.05Å; F196-L244 HydrophobicContact CE2-CD2 3.89Å; F196-W247 HydrophobicContact CB-CZ2 4.42Å; F196-W247 HydrophobicContact CD1-CD2 4.39Å; F196-W247 HydrophobicContact CD1-CE3 4.47Å; F196-W247 HydrophobicContact CD1-CH2 4.36Å; F196-W247 HydrophobicContact CD1-CZ2 4.26Å; F196-W247 HydrophobicContact CD1-CZ3 4.46Å; F196-W247 HydrophobicContact CD2-CB 3.99Å; F196-W247 AromaticContact CD2-CD1 3.7Å; F196-W247 AromaticContact CD2-CD2 3.58Å; F196-W247 HydrophobicContact CD2-CD2 3.58Å; F196-W247 AromaticContact CD2-CE2 3.89Å; F196-W247 HydrophobicContact CD2-CE3 4.13Å; F196-W247 AromaticContact CD2-CG 3.48Å; F196-W247 HydrophobicContact CD2-CG 3.48Å; F196-W247 VanDerWaalsContact CD2-CG 3.48Å; F196-W247 AromaticContact CD2-NE1 3.92Å; F196-W247 HydrophobicContact CE1-CD2 4.49Å; F196-W247 HydrophobicContact CE1-CE3 4.19Å; F196-W247 HydrophobicContact CE1-CH2 4.48Å; F196-W247 HydrophobicContact CE1-CZ3 4.19Å; F196-W247 HydrophobicContact CE2-CB 3.87Å; F196-W247 AromaticContact CE2-CD2 3.69Å; F196-W247 HydrophobicContact CE2-CD2 3.69Å; F196-W247 AromaticContact CE2-CE3 3.81Å; F196-W247 HydrophobicContact CE2-CE3 3.81Å; F196-W247 AromaticContact CE2-CG 3.73Å; F196-W247 HydrophobicContact CE2-CG 3.73Å; F196-W247 AromaticContact CG-CD2 3.94Å; F196-W247 HydrophobicContact CG-CD2 3.94Å; F196-W247 AromaticContact CG-CE2 3.8Å; F196-W247 HydrophobicContact CG-CE3 4.44Å; F196-W247 HydrophobicContact CG-CG 4.22Å; F196-W247 HydrophobicContact CG-CZ2 4.2Å; F196-W247 AromaticContact CG-NE1 3.94Å; F196-W247 HydrophobicContact CZ-CD2 4.16Å; F196-W247 AromaticContact CZ-CE3 3.84Å; F196-W247 HydrophobicContact CZ-CE3 3.84Å; F196-W247 HydrophobicContact CZ-CZ3 4.25Å; F196-F248 HydrophobicContact CZ-CE2 4.15Å; F196-F248 HydrophobicContact CZ-CZ 4.02Å
197	L	74	Confident	68.8	Low	65 Å²	65	94.6 Å²	94.6	34%	0.34	46%	0.458	S	S	.	.	H	α-helix	trans	-63.2	-34.1	177.8	-71.6	170.5	0	0	0	112.5	Q193 Y194 R201 L217	Q193-L197 VanDerWaalsContact O-CG 3.32Å; Q193-L197 WeakPolarHBondContact O-CG 3.06Å; Q193-L197 PolarHBondContact O-N 3.49Å; Q193-L197 VanDerWaalsContact O-N 3.13Å; Y194-L197 PolarHBondContact O-N 3.02Å; Y194-L197 VanDerWaalsContact O-N 3.16Å; L197-R201 WeakPolarHBondContact O-CB 3.27Å; L197-R201 PolarHBondContact O-N 3.2Å; L197-R201 VanDerWaalsContact O-N 3.07Å; L197-L217 HydrophobicContact CD2-CD1 4.31Å
198	E	74.7	Confident	70.1	Confident	65 Å²	65	89.2 Å²	89.2	30%	0.304	45%	0.446	S	S	.	.	H	α-helix	trans	-68.8	-47.3	174.7	-170.5	170.7	-160.4	0	0	111.2	Y194 M195 F196 L200 R201 Y202	Y194-E198 PolarHBondContact O-N 3.21Å; M195-E198 PolarHBondContact O-N 2.96Å; F196-E198 VanDerWaalsContact C-N 3.27Å; F196-E198 PolarHBondContact O-N 3.03Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 3.33Å; E198-R201 WeakPolarHBondContact O-CB 3.27Å; E198-R201 PolarHBondContact O-N 3.03Å; E198-R201 VanDerWaalsContact O-N 3.15Å; E198-Y202 HydrophobicContact CG-CD2 4.01Å; E198-Y202 HydrophobicContact CG-CE2 3.72Å; E198-Y202 WeakPolarHBondContact O-CD2 3.42Å; E198-Y202 PolarHBondContact O-N 3.43Å; E198-Y202 VanDerWaalsContact O-N 3.14Å
199	K	75.2	Confident	71.3	Confident	83 Å²	83	85.2 Å²	85.2	36%	0.361	42%	0.423	S	S	.	.	H	α-helix	trans	-59.7	-44.5	175.8	-165.1	172.6	-178.8	-177.6	0	111.3	M195 F196 R201 Y202 T203 E243 L244	M195-K199 WeakPolarHBondContact O-CB 3.47Å; M195-K199 PolarHBondContact O-N 3.27Å; F196-K199 PolarHBondContact O-N 2.95Å; K199-R201 VanDerWaalsContact C-N 3.27Å; K199-R201 PolarHBondContact O-N 3.17Å; K199-Y202 PolarHBondContact O-N 2.92Å; K199-Y202 VanDerWaalsContact O-N 3.1Å; K199-T203 HydrophobicContact CG-CG2 4.44Å; K199-T203 VanDerWaalsContact O-CG2 3.31Å; K199-T203 WeakPolarHBondContact O-CG2 3.23Å; K199-T203 PolarHBondContact O-N 3.02Å; K199-T203 PolarHBondContact O-OG1 3.29Å; K199-E243 IonicContact NZ-OE2 2.65Å; K199-E243 PolarHBondContact NZ-OE2 3.4Å; K199-L244 HydrophobicContact CB-CD2 4.48Å; K199-L244 HydrophobicContact CD-CD2 4.18Å; K199-L244 HydrophobicContact CG-CD2 4.25Å
200	L	74.8	Confident	72.4	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-63	-31.7	177	-164.2	144	0	0	0	113	F196 E198 V204 Y210 L213 L217 F234	F196-L200 HydrophobicContact CE1-CD1 3.73Å; F196-L200 HydrophobicContact CE2-CD1 4.31Å; F196-L200 HydrophobicContact CZ-CD1 3.55Å; F196-L200 VanDerWaalsContact O-CB 3.27Å; F196-L200 WeakPolarHBondContact O-CB 3.47Å; F196-L200 PolarHBondContact O-N 3.3Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 3.33Å; L200-V204 WeakPolarHBondContact O-CG2 2.92Å; L200-V204 PolarHBondContact O-N 3.24Å; L200-Y210 HydrophobicContact CD2-CD2 3.78Å; L200-Y210 HydrophobicContact CD2-CE2 3.69Å; L200-L213 HydrophobicContact CD1-CD1 4.41Å; L200-L213 HydrophobicContact CD1-CD2 3.67Å; L200-L213 HydrophobicContact CD2-CD1 4.21Å; L200-L213 HydrophobicContact CD2-CD2 3.95Å; L200-L213 HydrophobicContact CD2-CG 4.46Å; L200-L213 HydrophobicContact CG-CD1 4.44Å; L200-L213 HydrophobicContact CG-CD2 4.33Å; L200-L217 HydrophobicContact CD1-CD1 4.48Å; L200-F234 HydrophobicContact CD1-CE2 3.71Å; L200-F234 HydrophobicContact CD1-CZ 3.93Å
201	R	73.4	Confident	72.9	Confident	176 Å²	176	83.8 Å²	83.8	66%	0.664	40%	0.402	S	S	*	.	H	α-helix	trans	-72.5	-30.3	174.6	-173	-177.7	-179	-167.4	2.2	112.8	L197 E198 K199 Y210	L197-R201 WeakPolarHBondContact O-CB 3.27Å; L197-R201 PolarHBondContact O-N 3.2Å; L197-R201 VanDerWaalsContact O-N 3.07Å; E198-R201 WeakPolarHBondContact O-CB 3.27Å; E198-R201 PolarHBondContact O-N 3.03Å; E198-R201 VanDerWaalsContact O-N 3.15Å; K199-R201 VanDerWaalsContact C-N 3.27Å; K199-R201 PolarHBondContact O-N 3.17Å; R201-Y210 HydrophobicContact CB-CE2 3.85Å; R201-Y210 HydrophobicContact CG-CE2 4.2Å
202	Y	71.6	Confident	73.3	Confident	158 Å²	158	79.5 Å²	79.5	62%	0.62	39%	0.386	S	S	*	.	H	α-helix	trans	-83.7	-30.9	179	-81.5	-71.1	0	0	0	113.3	E198 K199	E198-Y202 HydrophobicContact CG-CD2 4.01Å; E198-Y202 HydrophobicContact CG-CE2 3.72Å; E198-Y202 WeakPolarHBondContact O-CD2 3.42Å; E198-Y202 PolarHBondContact O-N 3.43Å; E198-Y202 VanDerWaalsContact O-N 3.14Å; K199-Y202 PolarHBondContact O-N 2.92Å; K199-Y202 VanDerWaalsContact O-N 3.1Å
203	T	69.3	Low	74	Confident	44 Å²	44	74.1 Å²	74.1	27%	0.27	36%	0.358	S	S	.	.	H	α-helix	trans	-81.5	-32.4	-177.2	58.4	0	0	0	0	111.9	K199 S205 E241 L244	K199-T203 HydrophobicContact CG-CG2 4.44Å; K199-T203 VanDerWaalsContact O-CG2 3.31Å; K199-T203 WeakPolarHBondContact O-CG2 3.23Å; K199-T203 PolarHBondContact O-N 3.02Å; K199-T203 PolarHBondContact O-OG1 3.29Å; T203-S205 PolarHBondContact O-N 3.37Å; T203-E241 WeakPolarHBondContact CB-OE2 3.42Å; T203-E241 VanDerWaalsContact CG2-CD 3.48Å; T203-E241 WeakPolarHBondContact CG2-OE1 3.21Å; T203-E241 WeakPolarHBondContact CG2-OE2 3.26Å; T203-E241 PolarHBondContact OG1-OE2 3.1Å; T203-L244 HydrophobicContact CG2-CD1 4.45Å
204	V	68.9	Low	74.7	Confident	15 Å²	15	73.5 Å²	73.5	9%	0.091	36%	0.356	C	S	.	.			trans	-88.1	93.4	174.6	-174.1	0	0	0	0	109.9	L200 N206 M209 L213 V238	L200-V204 WeakPolarHBondContact O-CG2 2.92Å; L200-V204 PolarHBondContact O-N 3.24Å; V204-N206 WeakPolarHBondContact CG1-O 3.07Å; V204-N206 PolarHBondContact O-N 2.94Å; V204-M209 HydrophobicContact CG1-CB 3.63Å; V204-L213 HydrophobicContact CG2-CD1 4.3Å; V204-V238 HydrophobicContact CG2-CG2 3.97Å
205	S	64.8	Low	75.1	Confident	126 Å²	126	75.5 Å²	75.5	88%	0.881	36%	0.363	S	S	*	.			trans	-69.2	-11.6	178.4	-62.4	0	0	0	0	114.1	T203	T203-S205 PolarHBondContact O-N 3.37Å
206	N	74.1	Confident	75.5	Confident	80 Å²	80	72 Å²	72	43%	0.428	35%	0.346	S	S	.	.			trans	-107.3	117.1	-175.5	-169.4	-7	0	0	0	111.8	V204 D208 M209 Y210	V204-N206 WeakPolarHBondContact CG1-O 3.07Å; V204-N206 PolarHBondContact O-N 2.94Å; N206-D208 PolarHBondContact O-N 3.19Å; N206-D208 PolarHBondContact OD1-N 3.45Å; N206-M209 HydrophobicContact CB-CB 4.15Å; N206-M209 HydrophobicContact CB-CG 3.93Å; N206-M209 HydrophobicContact CB-SD 3.98Å; N206-M209 PolarHBondContact O-N 2.88Å; N206-M209 VanDerWaalsContact O-N 3.11Å; N206-Y210 PolarHBondContact O-N 2.96Å
207	D	75.5	Confident	75.7	Confident	101 Å²	101	72.7 Å²	72.7	54%	0.54	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-30.5	-173.8	-153.3	52.4	0	0	0	112.8	K211	D207-K211 VanDerWaalsContact O-CG 3.3Å; D207-K211 WeakPolarHBondContact O-CG 2.83Å; D207-K211 PolarHBondContact O-N 3.44Å; D207-K211 VanDerWaalsContact O-N 3.12Å; D207-K211 VanDerWaalsContact OD2-CE 3.3Å; D207-K211 WeakPolarHBondContact OD2-CE 3.45Å; D207-K211 IonicContact OD2-NZ 2.96Å; D207-K211 PolarHBondContact OD2-NZ 3.26Å
208	D	75.9	Confident	75.9	Confident	115 Å²	115	75.7 Å²	75.7	62%	0.615	36%	0.361	S	S	*	.	H	α-helix	trans	-75.8	-35.9	177.5	-69.1	-29.2	0	0	0	112.6	N206 K211 G212	N206-D208 PolarHBondContact O-N 3.19Å; N206-D208 PolarHBondContact OD1-N 3.45Å; D208-K211 PolarHBondContact O-N 2.94Å; D208-K211 IonicContact OD1-NZ 3.43Å; D208-G212 PolarHBondContact O-N 3.29Å
209	M	73.7	Confident	76.3	Confident	66 Å²	66	76.1 Å²	76.1	33%	0.325	37%	0.365	S	S	.	.	H	α-helix	trans	-69.1	-38.6	174.2	-64.2	-175.7	76.8	0	0	110.9	V204 N206 G212 L213 Y237	V204-M209 HydrophobicContact CG1-CB 3.63Å; N206-M209 HydrophobicContact CB-CB 4.15Å; N206-M209 HydrophobicContact CB-CG 3.93Å; N206-M209 HydrophobicContact CB-SD 3.98Å; N206-M209 PolarHBondContact O-N 2.88Å; N206-M209 VanDerWaalsContact O-N 3.11Å; M209-G212 PolarHBondContact O-N 2.91Å; M209-L213 WeakPolarHBondContact O-CB 3.49Å; M209-L213 PolarHBondContact O-N 3.5Å; M209-Y237 HydrophobicContact CB-CD1 4.49Å; M209-Y237 HydrophobicContact CE-CD1 4.13Å; M209-Y237 WeakPolarHBondContact CE-O 3.4Å
210	Y	80.1	Confident	76.5	Confident	45 Å²	45	74.5 Å²	74.5	18%	0.176	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-43	175	-177.8	-107.2	0	0	0	111.8	L200 R201 N206 G212 L213 L214	L200-Y210 HydrophobicContact CD2-CD2 3.78Å; L200-Y210 HydrophobicContact CD2-CE2 3.69Å; R201-Y210 HydrophobicContact CB-CE2 3.85Å; R201-Y210 HydrophobicContact CG-CE2 4.2Å; N206-Y210 PolarHBondContact O-N 2.96Å; Y210-G212 PolarHBondContact O-N 3.49Å; Y210-L213 PolarHBondContact O-N 3.32Å; Y210-L214 HydrophobicContact CD1-CD1 3.84Å; Y210-L214 HydrophobicContact CD1-CG 4.49Å; Y210-L214 HydrophobicContact CE1-CD1 3.45Å; Y210-L214 VanDerWaalsContact CE1-CD1 3.45Å; Y210-L214 HydrophobicContact CE1-CG 4.17Å; Y210-L214 WeakPolarHBondContact O-CG 3.19Å; Y210-L214 PolarHBondContact O-N 3.48Å
211	K	78.9	Confident	76.6	Confident	93 Å²	93	78.5 Å²	78.5	40%	0.404	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-39	173.1	-72.9	167	-165.6	151.6	0	112.4	D207 D208 R215	D207-K211 VanDerWaalsContact O-CG 3.3Å; D207-K211 WeakPolarHBondContact O-CG 2.83Å; D207-K211 PolarHBondContact O-N 3.44Å; D207-K211 VanDerWaalsContact O-N 3.12Å; D207-K211 VanDerWaalsContact OD2-CE 3.3Å; D207-K211 WeakPolarHBondContact OD2-CE 3.45Å; D207-K211 IonicContact OD2-NZ 2.96Å; D207-K211 PolarHBondContact OD2-NZ 3.26Å; D208-K211 PolarHBondContact O-N 2.94Å; D208-K211 IonicContact OD1-NZ 3.43Å; K211-R215 WeakPolarHBondContact O-CG 3.1Å; K211-R215 PolarHBondContact O-N 3.46Å
212	G	80.8	Confident	76.9	Confident	10 Å²	10	74.8 Å²	74.8	10%	0.103	38%	0.376	C	S	.	.	H	α-helix	trans	-60.7	-46.4	173.7	0	0	0	0	0	112	D208 M209 Y210 R215 V216	D208-G212 PolarHBondContact O-N 3.29Å; M209-G212 PolarHBondContact O-N 2.91Å; Y210-G212 PolarHBondContact O-N 3.49Å; G212-R215 WeakPolarHBondContact O-CB 3.25Å; G212-R215 PolarHBondContact O-N 2.92Å; G212-R215 VanDerWaalsContact O-N 3.08Å; G212-V216 PolarHBondContact O-N 2.93Å; G212-V216 VanDerWaalsContact O-N 3.14Å
213	L	81	Confident	77	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-68	-37.5	-179.3	-144.7	159.8	0	0	0	112.2	L200 V204 M209 Y210 R215 V216 L217 F234 V238	L200-L213 HydrophobicContact CD1-CD1 4.41Å; L200-L213 HydrophobicContact CD1-CD2 3.67Å; L200-L213 HydrophobicContact CD2-CD1 4.21Å; L200-L213 HydrophobicContact CD2-CD2 3.95Å; L200-L213 HydrophobicContact CD2-CG 4.46Å; L200-L213 HydrophobicContact CG-CD1 4.44Å; L200-L213 HydrophobicContact CG-CD2 4.33Å; V204-L213 HydrophobicContact CG2-CD1 4.3Å; M209-L213 WeakPolarHBondContact O-CB 3.49Å; M209-L213 PolarHBondContact O-N 3.5Å; Y210-L213 PolarHBondContact O-N 3.32Å; L213-R215 VanDerWaalsContact C-N 3.27Å; L213-R215 PolarHBondContact O-N 3.47Å; L213-V216 PolarHBondContact O-N 2.94Å; L213-V216 VanDerWaalsContact O-N 3.16Å; L213-L217 HydrophobicContact CD2-CD1 3.97Å; L213-L217 HydrophobicContact CD2-CG 4.17Å; L213-L217 PolarHBondContact O-N 3.36Å; L213-F234 HydrophobicContact CD1-CD2 4.26Å; L213-F234 HydrophobicContact CD1-CE2 3.97Å; L213-F234 HydrophobicContact CD1-CZ 4.33Å; L213-F234 HydrophobicContact CD2-CD2 3.91Å; L213-F234 HydrophobicContact CD2-CE2 3.65Å; L213-F234 HydrophobicContact CG-CD2 4.31Å; L213-F234 HydrophobicContact CG-CE2 4.26Å; L213-V238 HydrophobicContact CD1-CG2 4.19Å
214	L	82	Confident	77.3	Confident	68 Å²	68	78.5 Å²	78.5	36%	0.356	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-32.4	170.1	-76.8	173.3	0	0	0	113	Y210 K218	Y210-L214 HydrophobicContact CD1-CD1 3.84Å; Y210-L214 HydrophobicContact CD1-CG 4.49Å; Y210-L214 HydrophobicContact CE1-CD1 3.45Å; Y210-L214 VanDerWaalsContact CE1-CD1 3.45Å; Y210-L214 HydrophobicContact CE1-CG 4.17Å; Y210-L214 WeakPolarHBondContact O-CG 3.19Å; Y210-L214 PolarHBondContact O-N 3.48Å; L214-K218 VanDerWaalsContact O-CB 3.27Å; L214-K218 WeakPolarHBondContact O-CB 3.4Å; L214-K218 PolarHBondContact O-N 3.48Å
215	R	80.6	Confident	77.7	Confident	178 Å²	178	79.1 Å²	79.1	67%	0.672	41%	0.405	S	S	*	.	H	α-helix	trans	-69.4	-41.5	173	-69.3	174.5	-167.9	174.2	4.2	111.4	K211 G212 L213 K218 L219	K211-R215 WeakPolarHBondContact O-CG 3.1Å; K211-R215 PolarHBondContact O-N 3.46Å; G212-R215 WeakPolarHBondContact O-CB 3.25Å; G212-R215 PolarHBondContact O-N 2.92Å; G212-R215 VanDerWaalsContact O-N 3.08Å; L213-R215 VanDerWaalsContact C-N 3.27Å; L213-R215 PolarHBondContact O-N 3.47Å; R215-K218 PolarHBondContact O-N 2.98Å; R215-L219 VanDerWaalsContact O-CG 3.26Å; R215-L219 WeakPolarHBondContact O-CG 3.18Å; R215-L219 PolarHBondContact O-N 3.46Å
216	V	80.9	Confident	78.3	Confident	10 Å²	10	76.5 Å²	76.5	6%	0.061	38%	0.384	C	S	.	.	H	α-helix	trans	-60.2	-46.8	175.2	178.7	0	0	0	0	110.8	G212 L213 K218 L219 F220 L225 V230 L233 Y237	G212-V216 PolarHBondContact O-N 2.93Å; G212-V216 VanDerWaalsContact O-N 3.14Å; L213-V216 PolarHBondContact O-N 2.94Å; L213-V216 VanDerWaalsContact O-N 3.16Å; V216-K218 VanDerWaalsContact C-N 3.34Å; V216-K218 PolarHBondContact O-N 3.16Å; V216-L219 PolarHBondContact O-N 3.02Å; V216-F220 PolarHBondContact O-N 3.43Å; V216-L225 HydrophobicContact CG1-CD2 4.38Å; V216-V230 HydrophobicContact CG1-CG1 4.36Å; V216-L233 HydrophobicContact CG1-CB 4.12Å; V216-L233 HydrophobicContact CG1-CD1 4.09Å; V216-L233 HydrophobicContact CG2-CB 4.29Å; V216-L233 HydrophobicContact CG2-CD1 4.19Å; V216-Y237 HydrophobicContact CG2-CE2 4.2Å
217	L	79.5	Confident	78.4	Confident	27 Å²	27	75.6 Å²	75.6	14%	0.141	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-36.6	175.9	-73.5	170.2	0	0	0	112.8	F196 L197 L200 L213 F220 S221 F248	F196-L217 HydrophobicContact CE1-CD1 4.4Å; L197-L217 HydrophobicContact CD2-CD1 4.31Å; L200-L217 HydrophobicContact CD1-CD1 4.48Å; L213-L217 HydrophobicContact CD2-CD1 3.97Å; L213-L217 HydrophobicContact CD2-CG 4.17Å; L213-L217 PolarHBondContact O-N 3.36Å; L217-F220 PolarHBondContact O-N 2.93Å; L217-S221 WeakPolarHBondContact O-CB 3.41Å; L217-S221 PolarHBondContact O-N 3.41Å; L217-F248 HydrophobicContact CD2-CE1 4.13Å; L217-F248 HydrophobicContact CD2-CZ 4.06Å
218	K	79.2	Confident	78.4	Confident	129 Å²	129	74.8 Å²	74.8	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-64.8	-43.6	174.6	-173.5	173.2	-177.5	178.1	0	111.3	L214 R215 V216 S221 Q222	L214-K218 VanDerWaalsContact O-CB 3.27Å; L214-K218 WeakPolarHBondContact O-CB 3.4Å; L214-K218 PolarHBondContact O-N 3.48Å; R215-K218 PolarHBondContact O-N 2.98Å; V216-K218 VanDerWaalsContact C-N 3.34Å; V216-K218 PolarHBondContact O-N 3.16Å; K218-S221 PolarHBondContact O-N 3.24Å; K218-S221 PolarHBondContact O-OG 2.92Å; K218-Q222 WeakPolarHBondContact O-CG 3.22Å; K218-Q222 PolarHBondContact O-N 2.92Å; K218-Q222 VanDerWaalsContact O-N 3.13Å
219	L	81.6	Confident	78.5	Confident	73 Å²	73	72.7 Å²	72.7	38%	0.382	37%	0.368	S	S	.	.	H	α-helix	trans	-68.1	-36.4	177.4	-67.6	166.9	0	0	0	112	R215 V216 Q222 S223 Y224 L225	R215-L219 VanDerWaalsContact O-CG 3.26Å; R215-L219 WeakPolarHBondContact O-CG 3.18Å; R215-L219 PolarHBondContact O-N 3.46Å; V216-L219 PolarHBondContact O-N 3.02Å; L219-Q222 CarbonylContact O-C 3.49Å; L219-Q222 PolarHBondContact O-N 3.44Å; L219-S223 PolarHBondContact O-N 3.35Å; L219-Y224 HydrophobicContact CD2-CD2 4.19Å; L219-Y224 PolarHBondContact O-N 2.94Å; L219-L225 HydrophobicContact CB-CD1 3.13Å; L219-L225 HydrophobicContact CD1-CD1 3.97Å; L219-L225 HydrophobicContact CG-CD1 4.13Å
220	F	80.4	Confident	78.6	Confident	49 Å²	49	69.5 Å²	69.5	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-44.6	169.7	179.8	-113	0	0	0	112	V216 L217 Q222 S223 V227 V230 L253	V216-F220 PolarHBondContact O-N 3.43Å; L217-F220 PolarHBondContact O-N 2.93Å; F220-Q222 PolarHBondContact O-N 3.38Å; F220-S223 PolarHBondContact O-N 3.23Å; F220-V227 HydrophobicContact CE2-CG2 4.12Å; F220-V227 HydrophobicContact CZ-CG2 4.47Å; F220-V230 HydrophobicContact CB-CG2 3.8Å; F220-V230 HydrophobicContact CD2-CG2 3.5Å; F220-V230 HydrophobicContact CE2-CG2 4.3Å; F220-V230 HydrophobicContact CG-CG2 3.85Å; F220-L253 HydrophobicContact CZ-CD1 4.25Å
221	S	76.4	Confident	78.4	Confident	84 Å²	84	69.7 Å²	69.7	59%	0.587	36%	0.355	S	S	*	.	H	α-helix	trans	-64.3	-21.3	177.8	78.8	0	0	0	0	114	L217 K218	L217-S221 WeakPolarHBondContact O-CB 3.41Å; L217-S221 PolarHBondContact O-N 3.41Å; K218-S221 PolarHBondContact O-N 3.24Å; K218-S221 PolarHBondContact O-OG 2.92Å
222	Q	79.1	Confident	78.3	Confident	99 Å²	99	69.9 Å²	69.9	46%	0.463	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	11.2	177.8	-69	178.5	-24.4	0	0	112.6	K218 L219 F220 Y224	K218-Q222 WeakPolarHBondContact O-CG 3.22Å; K218-Q222 PolarHBondContact O-N 2.92Å; K218-Q222 VanDerWaalsContact O-N 3.13Å; L219-Q222 CarbonylContact O-C 3.49Å; L219-Q222 PolarHBondContact O-N 3.44Å; F220-Q222 PolarHBondContact O-N 3.38Å; Q222-Y224 VanDerWaalsContact C-N 3.26Å; Q222-Y224 HydrophobicContact CB-CD2 3.43Å; Q222-Y224 VanDerWaalsContact CB-CD2 3.43Å; Q222-Y224 HydrophobicContact CB-CE2 3.52Å; Q222-Y224 HydrophobicContact CG-CE2 4.43Å; Q222-Y224 PolarHBondContact O-N 2.96Å
223	S	75	Confident	78.2	Confident	112 Å²	112	72.5 Å²	72.5	78%	0.783	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	25	178.4	-48.6	0	0	0	0	115	L219 F220	L219-S223 PolarHBondContact O-N 3.35Å; F220-S223 PolarHBondContact O-N 3.23Å
224	Y	75.7	Confident	77.9	Confident	168 Å²	168	72.5 Å²	72.5	66%	0.659	37%	0.372	S	S	*	.			trans	-90.3	-11.2	177.3	-67.5	-67.7	0	0	0	114.1	L219 Q222	L219-Y224 HydrophobicContact CD2-CD2 4.19Å; L219-Y224 PolarHBondContact O-N 2.94Å; Q222-Y224 VanDerWaalsContact C-N 3.26Å; Q222-Y224 HydrophobicContact CB-CD2 3.43Å; Q222-Y224 VanDerWaalsContact CB-CD2 3.43Å; Q222-Y224 HydrophobicContact CB-CE2 3.52Å; Q222-Y224 HydrophobicContact CG-CE2 4.43Å; Q222-Y224 PolarHBondContact O-N 2.96Å
225	L	76.6	Confident	77.5	Confident	27 Å²	27	76.6 Å²	76.6	14%	0.141	38%	0.383	C	S	.	.	S	Bend	trans	-127	140.8	177.3	-79.4	92.8	0	0	0	111	V216 L219 D229 V230 L233	V216-L225 HydrophobicContact CG1-CD2 4.38Å; L219-L225 HydrophobicContact CB-CD1 3.13Å; L219-L225 HydrophobicContact CD1-CD1 3.97Å; L219-L225 HydrophobicContact CG-CD1 4.13Å; L225-D229 HydrophobicContact CB-CB 4.09Å; L225-D229 HydrophobicContact CD2-CB 3.82Å; L225-D229 HydrophobicContact CG-CB 4.12Å; L225-V230 HydrophobicContact CB-CG2 3.77Å; L225-V230 HydrophobicContact CD2-CG2 4.1Å; L225-L233 HydrophobicContact CD2-CD1 3.25Å
226	T	78.2	Confident	77.3	Confident	72 Å²	72	71.9 Å²	71.9	44%	0.442	38%	0.377	S	S	.	.			trans	-76.4	161.3	168.5	66.2	0	0	0	0	110.7	T228 D229 V230	T226-T228 PolarHBondContact O-N 2.93Å; T226-T228 PolarHBondContact OG1-OG1 3.38Å; T226-D229 WeakPolarHBondContact CB-OD2 3.45Å; T226-D229 PolarHBondContact N-OD2 3.37Å; T226-D229 PolarHBondContact O-N 3.49Å; T226-D229 VanDerWaalsContact O-N 3.08Å; T226-D229 PolarHBondContact OG1-N 3.17Å; T226-D229 PolarHBondContact OG1-OD1 2.84Å; T226-D229 PolarHBondContact OG1-OD2 3.23Å; T226-V230 WeakPolarHBondContact O-CG2 3.03Å; T226-V230 PolarHBondContact O-N 3.47Å
227	V	74.3	Confident	76.8	Confident	60 Å²	60	75.2 Å²	75.2	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-57.8	-34.7	177.9	178.8	0	0	0	0	111.1	F220 Q231	F220-V227 HydrophobicContact CE2-CG2 4.12Å; F220-V227 HydrophobicContact CZ-CG2 4.47Å; V227-Q231 VanDerWaalsContact O-CG 3.31Å; V227-Q231 WeakPolarHBondContact O-CG 3.42Å; V227-Q231 PolarHBondContact O-N 3.39Å; V227-Q231 VanDerWaalsContact O-N 3.08Å
228	T	76.2	Confident	76.4	Confident	85 Å²	85	74.7 Å²	74.7	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-66.4	-44.3	174.2	39.4	0	0	0	0	112.2	T226 V230 Q231 D232	T226-T228 PolarHBondContact O-N 2.93Å; T226-T228 PolarHBondContact OG1-OG1 3.38Å; T228-V230 VanDerWaalsContact C-N 3.29Å; T228-V230 PolarHBondContact O-N 3.27Å; T228-Q231 PolarHBondContact O-N 2.83Å; T228-D232 PolarHBondContact O-N 2.93Å
229	D	79.3	Confident	75.7	Confident	70 Å²	70	73.4 Å²	73.4	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-35.9	177.9	-55	-37.4	0	0	0	111.8	L225 T226 L233	L225-D229 HydrophobicContact CB-CB 4.09Å; L225-D229 HydrophobicContact CD2-CB 3.82Å; L225-D229 HydrophobicContact CG-CB 4.12Å; T226-D229 WeakPolarHBondContact CB-OD2 3.45Å; T226-D229 PolarHBondContact N-OD2 3.37Å; T226-D229 PolarHBondContact O-N 3.49Å; T226-D229 VanDerWaalsContact O-N 3.08Å; T226-D229 PolarHBondContact OG1-N 3.17Å; T226-D229 PolarHBondContact OG1-OD1 2.84Å; T226-D229 PolarHBondContact OG1-OD2 3.23Å; D229-L233 WeakPolarHBondContact O-CB 3.29Å; D229-L233 WeakPolarHBondContact O-CG 3.39Å; D229-L233 PolarHBondContact O-N 2.71Å
230	V	75.7	Confident	74.8	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-68.4	-41.8	176.1	175.9	0	0	0	0	111	V216 F220 L225 T226 T228 D232 L233 F234 F248	V216-V230 HydrophobicContact CG1-CG1 4.36Å; F220-V230 HydrophobicContact CB-CG2 3.8Å; F220-V230 HydrophobicContact CD2-CG2 3.5Å; F220-V230 HydrophobicContact CE2-CG2 4.3Å; F220-V230 HydrophobicContact CG-CG2 3.85Å; L225-V230 HydrophobicContact CB-CG2 3.77Å; L225-V230 HydrophobicContact CD2-CG2 4.1Å; T226-V230 WeakPolarHBondContact O-CG2 3.03Å; T226-V230 PolarHBondContact O-N 3.47Å; T228-V230 VanDerWaalsContact C-N 3.29Å; T228-V230 PolarHBondContact O-N 3.27Å; V230-D232 VanDerWaalsContact C-N 3.34Å; V230-D232 PolarHBondContact O-N 2.75Å; V230-L233 PolarHBondContact O-N 3.04Å; V230-F234 WeakPolarHBondContact O-CB 3.45Å; V230-F234 PolarHBondContact O-N 2.85Å; V230-F248 HydrophobicContact CG1-CD1 3.86Å; V230-F248 HydrophobicContact CG1-CE1 3.47Å; V230-F248 VanDerWaalsContact CG1-CE1 3.47Å; V230-F248 HydrophobicContact CG1-CE2 4.48Å; V230-F248 HydrophobicContact CG1-CZ 3.82Å
231	Q	75.9	Confident	73.9	Confident	48 Å²	48	77.3 Å²	77.3	22%	0.224	41%	0.414	C	S	.	.	H	α-helix	trans	-63	-40.4	176.9	-75.3	175	-7.7	0	0	111.9	V227 T228 F234 R235 F248	V227-Q231 VanDerWaalsContact O-CG 3.31Å; V227-Q231 WeakPolarHBondContact O-CG 3.42Å; V227-Q231 PolarHBondContact O-N 3.39Å; V227-Q231 VanDerWaalsContact O-N 3.08Å; T228-Q231 PolarHBondContact O-N 2.83Å; Q231-F234 PolarHBondContact O-N 3.38Å; Q231-R235 WeakPolarHBondContact O-CB 3.36Å; Q231-R235 WeakPolarHBondContact O-CG 3.4Å; Q231-R235 PolarHBondContact O-N 3.42Å; Q231-F248 HydrophobicContact CG-CB 4.33Å
232	D	76.7	Confident	73.2	Confident	97 Å²	97	78.7 Å²	78.7	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-69.5	-42.6	178.5	-73.4	-23.2	0	0	0	112.4	T228 V230 R235 S236	T228-D232 PolarHBondContact O-N 2.93Å; V230-D232 VanDerWaalsContact C-N 3.34Å; V230-D232 PolarHBondContact O-N 2.75Å; D232-R235 PolarHBondContact O-N 2.94Å; D232-S236 PolarHBondContact O-N 3.46Å
233	L	77.6	Confident	72.5	Confident	65 Å²	65	80.2 Å²	80.2	34%	0.34	43%	0.426	S	S	.	.	H	α-helix	trans	-66.5	-39.9	173.5	-72.3	170.4	0	0	0	111.4	V216 L225 D229 V230 R235 S236 Y237	V216-L233 HydrophobicContact CG1-CB 4.12Å; V216-L233 HydrophobicContact CG1-CD1 4.09Å; V216-L233 HydrophobicContact CG2-CB 4.29Å; V216-L233 HydrophobicContact CG2-CD1 4.19Å; L225-L233 HydrophobicContact CD2-CD1 3.25Å; D229-L233 WeakPolarHBondContact O-CB 3.29Å; D229-L233 WeakPolarHBondContact O-CG 3.39Å; D229-L233 PolarHBondContact O-N 2.71Å; V230-L233 PolarHBondContact O-N 3.04Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.44Å; L233-S236 WeakPolarHBondContact O-CB 3.49Å; L233-S236 PolarHBondContact O-N 3.24Å; L233-S236 VanDerWaalsContact O-N 3.09Å; L233-S236 PolarHBondContact O-OG 3.07Å; L233-Y237 WeakPolarHBondContact O-CD2 3.46Å; L233-Y237 PolarHBondContact O-N 3.07Å
234	F	74.8	Confident	72	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.009	39%	0.39	C	S	.	.	H	α-helix	trans	-63.5	-39.4	178.3	-157.8	-82	0	0	0	111.8	F196 L200 L213 V230 Q231 S236 Y237 V238 L244 L245 F248	F196-F234 HydrophobicContact CZ-CE2 4.48Å; L200-F234 HydrophobicContact CD1-CE2 3.71Å; L200-F234 HydrophobicContact CD1-CZ 3.93Å; L213-F234 HydrophobicContact CD1-CD2 4.26Å; L213-F234 HydrophobicContact CD1-CE2 3.97Å; L213-F234 HydrophobicContact CD1-CZ 4.33Å; L213-F234 HydrophobicContact CD2-CD2 3.91Å; L213-F234 HydrophobicContact CD2-CE2 3.65Å; L213-F234 HydrophobicContact CG-CD2 4.31Å; L213-F234 HydrophobicContact CG-CE2 4.26Å; V230-F234 WeakPolarHBondContact O-CB 3.45Å; V230-F234 PolarHBondContact O-N 2.85Å; Q231-F234 PolarHBondContact O-N 3.38Å; F234-S236 PolarHBondContact O-N 3.31Å; F234-Y237 PolarHBondContact O-N 3.25Å; F234-Y237 VanDerWaalsContact O-N 3.14Å; F234-V238 HydrophobicContact CE1-CB 4.23Å; F234-V238 HydrophobicContact CE1-CG2 4.46Å; F234-V238 PolarHBondContact O-N 3.11Å; F234-L244 HydrophobicContact CE1-CB 3.73Å; F234-L244 HydrophobicContact CE1-CD1 4.37Å; F234-L244 HydrophobicContact CZ-CB 3.76Å; F234-L244 HydrophobicContact CZ-CD1 4.09Å; F234-L245 HydrophobicContact CB-CD2 4.19Å; F234-L245 HydrophobicContact CD1-CD2 3.87Å; F234-L245 HydrophobicContact CD1-CG 4.08Å; F234-L245 HydrophobicContact CG-CD2 4.36Å; F234-F248 AromaticContact CD2-CE2 3.57Å; F234-F248 HydrophobicContact CD2-CE2 3.57Å; F234-F248 AromaticContact CD2-CZ 3.89Å; F234-F248 HydrophobicContact CD2-CZ 3.89Å; F234-F248 AromaticContact CE2-CE2 3.63Å; F234-F248 HydrophobicContact CE2-CE2 3.63Å; F234-F248 AromaticContact CE2-CZ 4Å; F234-F248 HydrophobicContact CE2-CZ 4Å; F234-F248 HydrophobicContact CG-CE2 4.12Å; F234-F248 HydrophobicContact CZ-CE2 4.28Å
235	R	74.5	Confident	71.5	Confident	153 Å²	153	68.4 Å²	68.4	58%	0.577	37%	0.365	S	S	*	.	H	α-helix	trans	-60.2	-29.2	172.3	-79.6	176	175.1	-178.8	-0.8	113.5	Q231 D232 L233 L245	Q231-R235 WeakPolarHBondContact O-CB 3.36Å; Q231-R235 WeakPolarHBondContact O-CG 3.4Å; Q231-R235 PolarHBondContact O-N 3.42Å; D232-R235 PolarHBondContact O-N 2.94Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.44Å; R235-L245 HydrophobicContact CG-CD1 4.11Å; R235-L245 HydrophobicContact CG-CD2 4.08Å
236	S	75.7	Confident	71.1	Confident	80 Å²	80	71.3 Å²	71.3	56%	0.559	38%	0.381	S	S	*	.	H	α-helix	trans	-74.6	-26	176.4	78.6	0	0	0	0	113.8	D232 L233 F234	D232-S236 PolarHBondContact O-N 3.46Å; L233-S236 WeakPolarHBondContact O-CB 3.49Å; L233-S236 PolarHBondContact O-N 3.24Å; L233-S236 VanDerWaalsContact O-N 3.09Å; L233-S236 PolarHBondContact O-OG 3.07Å; F234-S236 PolarHBondContact O-N 3.31Å
237	Y	70.9	Confident	70.6	Confident	79 Å²	79	71.8 Å²	71.8	31%	0.31	38%	0.375	S	S	.	.	H	α-helix	trans	-97.1	-30.3	-179.6	-69.4	-78	0	0	0	113.1	M209 V216 L233 F234	M209-Y237 HydrophobicContact CB-CD1 4.49Å; M209-Y237 HydrophobicContact CE-CD1 4.13Å; M209-Y237 WeakPolarHBondContact CE-O 3.4Å; V216-Y237 HydrophobicContact CG2-CE2 4.2Å; L233-Y237 WeakPolarHBondContact O-CD2 3.46Å; L233-Y237 PolarHBondContact O-N 3.07Å; F234-Y237 PolarHBondContact O-N 3.25Å; F234-Y237 VanDerWaalsContact O-N 3.14Å
238	V	70.7	Confident	70	Confident	17 Å²	17	69.9 Å²	69.9	10%	0.103	36%	0.361	C	S	.	.			trans	-139.2	87.4	-178.1	-171.8	0	0	0	0	109.5	V204 L213 F234 D240 E241	V204-V238 HydrophobicContact CG2-CG2 3.97Å; L213-V238 HydrophobicContact CD1-CG2 4.19Å; F234-V238 HydrophobicContact CE1-CB 4.23Å; F234-V238 HydrophobicContact CE1-CG2 4.46Å; F234-V238 PolarHBondContact O-N 3.11Å; V238-D240 VanDerWaalsContact C-N 3.31Å; V238-D240 PolarHBondContact O-N 3.35Å; V238-E241 HydrophobicContact CG1-CB 3.99Å; V238-E241 HydrophobicContact CG1-CG 4.44Å
239	P	64.5	Low	69.2	Low	101 Å²	101	69.5 Å²	69.5	66%	0.656	36%	0.362	S	S	*	.	S	Bend	trans	-71.6	-19.6	-175.5	23.5	-30.3	0	0	0	114.6
240	D	61.9	Low	68.2	Low	147 Å²	147	72.2 Å²	72.2	79%	0.786	37%	0.371	S	S	*	.	S	Bend	trans	-109.3	-4.9	-164.5	-67.4	-25.7	0	0	0	115.9	V238	V238-D240 VanDerWaalsContact C-N 3.31Å; V238-D240 PolarHBondContact O-N 3.35Å
241	E	62.6	Low	66.8	Low	57 Å²	57	78.6 Å²	78.6	27%	0.266	41%	0.412	S	S	.	.			trans	-111.5	91.6	-177.5	-78.7	-166.6	141.5	0	0	113.7	T203 V238 E243 L244	T203-E241 WeakPolarHBondContact CB-OE2 3.42Å; T203-E241 VanDerWaalsContact CG2-CD 3.48Å; T203-E241 WeakPolarHBondContact CG2-OE1 3.21Å; T203-E241 WeakPolarHBondContact CG2-OE2 3.26Å; T203-E241 PolarHBondContact OG1-OE2 3.1Å; V238-E241 HydrophobicContact CG1-CB 3.99Å; V238-E241 HydrophobicContact CG1-CG 4.44Å; E241-E243 PolarHBondContact O-N 3.02Å; E241-L244 HydrophobicContact CB-CD1 4.43Å; E241-L244 PolarHBondContact O-N 2.93Å; E241-L244 WeakPolarHBondContact OE2-CD1 3.28Å
242	T	61.6	Low	65.2	Low	113 Å²	113	80.3 Å²	80.3	69%	0.693	43%	0.434	S	S	*	.	H	α-helix	trans	-63.2	-26.2	173.1	47.4	0	0	0	0	113.5	L245 D246	T242-L245 PolarHBondContact O-N 3.17Å; T242-D246 PolarHBondContact O-N 3.01Å; T242-D246 VanDerWaalsContact O-N 3.12Å
243	E	63.6	Low	63.4	Low	131 Å²	131	81.1 Å²	81.1	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-69.5	-31.1	179.2	-67.8	-169.4	169.4	0	0	114	K199 E241	K199-E243 IonicContact NZ-OE2 2.65Å; K199-E243 PolarHBondContact NZ-OE2 3.4Å; E241-E243 PolarHBondContact O-N 3.02Å
244	L	65.7	Low	61.3	Low	5 Å²	5	84.4 Å²	84.4	3%	0.026	46%	0.464	C	S	.	.	H	α-helix	trans	-80.5	-30.2	176.5	-73.1	178.4	0	0	0	111.7	F196 K199 T203 F234 E241 W247	F196-L244 HydrophobicContact CD2-CD2 4.05Å; F196-L244 HydrophobicContact CE2-CD2 3.89Å; K199-L244 HydrophobicContact CB-CD2 4.48Å; K199-L244 HydrophobicContact CD-CD2 4.18Å; K199-L244 HydrophobicContact CG-CD2 4.25Å; T203-L244 HydrophobicContact CG2-CD1 4.45Å; F234-L244 HydrophobicContact CE1-CB 3.73Å; F234-L244 HydrophobicContact CE1-CD1 4.37Å; F234-L244 HydrophobicContact CZ-CB 3.76Å; F234-L244 HydrophobicContact CZ-CD1 4.09Å; E241-L244 HydrophobicContact CB-CD1 4.43Å; E241-L244 PolarHBondContact O-N 2.93Å; E241-L244 WeakPolarHBondContact OE2-CD1 3.28Å; L244-W247 WeakPolarHBondContact O-CB 3.35Å; L244-W247 PolarHBondContact O-N 3.44Å
245	L	65.5	Low	59.2	Low	27 Å²	27	89.4 Å²	89.4	14%	0.141	50%	0.499	C	S	.	.	H	α-helix	trans	-68.2	-35.5	174	-77.2	160.9	0	0	0	112	F234 R235 T242 W247 F248	F234-L245 HydrophobicContact CB-CD2 4.19Å; F234-L245 HydrophobicContact CD1-CD2 3.87Å; F234-L245 HydrophobicContact CD1-CG 4.08Å; F234-L245 HydrophobicContact CG-CD2 4.36Å; R235-L245 HydrophobicContact CG-CD1 4.11Å; R235-L245 HydrophobicContact CG-CD2 4.08Å; T242-L245 PolarHBondContact O-N 3.17Å; L245-W247 PolarHBondContact O-N 2.85Å; L245-F248 PolarHBondContact O-N 3.34Å
246	D	68.2	Low	57.1	Low	89 Å²	89	87 Å²	87	48%	0.476	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-66.2	-23.4	176.8	-168.5	51.4	0	0	0	113.2	T242 F248 S249 K250	T242-D246 PolarHBondContact O-N 3.01Å; T242-D246 VanDerWaalsContact O-N 3.12Å; D246-F248 PolarHBondContact O-N 2.91Å; D246-S249 PolarHBondContact O-N 3.49Å; D246-K250 PolarHBondContact O-N 2.99Å
247	W	66.4	Low	54.9	Low	82 Å²	82	91.7 Å²	91.7	31%	0.311	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-61.8	-32.8	174.6	-171.3	89.9	0	0	0	112.5	F196 L244 L245 S249	F196-W247 HydrophobicContact CB-CZ2 4.42Å; F196-W247 HydrophobicContact CD1-CD2 4.39Å; F196-W247 HydrophobicContact CD1-CE3 4.47Å; F196-W247 HydrophobicContact CD1-CH2 4.36Å; F196-W247 HydrophobicContact CD1-CZ2 4.26Å; F196-W247 HydrophobicContact CD1-CZ3 4.46Å; F196-W247 HydrophobicContact CD2-CB 3.99Å; F196-W247 AromaticContact CD2-CD1 3.7Å; F196-W247 AromaticContact CD2-CD2 3.58Å; F196-W247 HydrophobicContact CD2-CD2 3.58Å; F196-W247 AromaticContact CD2-CE2 3.89Å; F196-W247 HydrophobicContact CD2-CE3 4.13Å; F196-W247 AromaticContact CD2-CG 3.48Å; F196-W247 HydrophobicContact CD2-CG 3.48Å; F196-W247 VanDerWaalsContact CD2-CG 3.48Å; F196-W247 AromaticContact CD2-NE1 3.92Å; F196-W247 HydrophobicContact CE1-CD2 4.49Å; F196-W247 HydrophobicContact CE1-CE3 4.19Å; F196-W247 HydrophobicContact CE1-CH2 4.48Å; F196-W247 HydrophobicContact CE1-CZ3 4.19Å; F196-W247 HydrophobicContact CE2-CB 3.87Å; F196-W247 AromaticContact CE2-CD2 3.69Å; F196-W247 HydrophobicContact CE2-CD2 3.69Å; F196-W247 AromaticContact CE2-CE3 3.81Å; F196-W247 HydrophobicContact CE2-CE3 3.81Å; F196-W247 AromaticContact CE2-CG 3.73Å; F196-W247 HydrophobicContact CE2-CG 3.73Å; F196-W247 AromaticContact CG-CD2 3.94Å; F196-W247 HydrophobicContact CG-CD2 3.94Å; F196-W247 AromaticContact CG-CE2 3.8Å; F196-W247 HydrophobicContact CG-CE3 4.44Å; F196-W247 HydrophobicContact CG-CG 4.22Å; F196-W247 HydrophobicContact CG-CZ2 4.2Å; F196-W247 AromaticContact CG-NE1 3.94Å; F196-W247 HydrophobicContact CZ-CD2 4.16Å; F196-W247 AromaticContact CZ-CE3 3.84Å; F196-W247 HydrophobicContact CZ-CE3 3.84Å; F196-W247 HydrophobicContact CZ-CZ3 4.25Å; L244-W247 WeakPolarHBondContact O-CB 3.35Å; L244-W247 PolarHBondContact O-N 3.44Å; L245-W247 PolarHBondContact O-N 2.85Å; W247-S249 VanDerWaalsContact C-N 3.32Å
248	F	61.5	Low	53	Low	19 Å²	19	93 Å²	93	8%	0.083	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-77.4	-16.6	175.8	-64.9	-80	0	0	0	113.4	F196 L217 V230 Q231 F234 L245 D246	F196-F248 HydrophobicContact CZ-CE2 4.15Å; F196-F248 HydrophobicContact CZ-CZ 4.02Å; L217-F248 HydrophobicContact CD2-CE1 4.13Å; L217-F248 HydrophobicContact CD2-CZ 4.06Å; V230-F248 HydrophobicContact CG1-CD1 3.86Å; V230-F248 HydrophobicContact CG1-CE1 3.47Å; V230-F248 VanDerWaalsContact CG1-CE1 3.47Å; V230-F248 HydrophobicContact CG1-CE2 4.48Å; V230-F248 HydrophobicContact CG1-CZ 3.82Å; Q231-F248 HydrophobicContact CG-CB 4.33Å; F234-F248 AromaticContact CD2-CE2 3.57Å; F234-F248 HydrophobicContact CD2-CE2 3.57Å; F234-F248 AromaticContact CD2-CZ 3.89Å; F234-F248 HydrophobicContact CD2-CZ 3.89Å; F234-F248 AromaticContact CE2-CE2 3.63Å; F234-F248 HydrophobicContact CE2-CE2 3.63Å; F234-F248 AromaticContact CE2-CZ 4Å; F234-F248 HydrophobicContact CE2-CZ 4Å; F234-F248 HydrophobicContact CG-CE2 4.12Å; F234-F248 HydrophobicContact CZ-CE2 4.28Å; L245-F248 PolarHBondContact O-N 3.34Å; D246-F248 PolarHBondContact O-N 2.91Å
249	S	59	Low	51.1	Low	77 Å²	77	97.8 Å²	97.8	54%	0.538	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-89.2	-11.1	175.5	-70.3	0	0	0	0	113.4	D246 W247	D246-S249 PolarHBondContact O-N 3.49Å; W247-S249 VanDerWaalsContact C-N 3.32Å
250	K	60.4	Low	49.7	Very low	127 Å²	127	98.6 Å²	98.6	55%	0.552	58%	0.579	S	S	*	*	S	Bend	trans	-70.1	132.5	174.8	-74.9	178.2	-179.2	174.4	0	110.1	D246 A252	D246-K250 PolarHBondContact O-N 2.99Å; K250-A252 PolarHBondContact O-N 2.9Å
251	P	45.7	Very low	48.2	Very low	134 Å²	134	98 Å²	98	87%	0.87	58%	0.58	S	S	*	*			trans	-72.6	81.1	179.2	30.4	-32.7	0	0	0	109.4
252	A	42.1	Very low	46.7	Very low	84 Å²	84	102.8 Å²	102.8	69%	0.694	61%	0.608	S	S	*	*			trans	-117.4	11.1	177.5	0	0	0	0	0	112.9	K250	K250-A252 PolarHBondContact O-N 2.9Å
253	L	39.1	Very low	45.3	Very low	115 Å²	115	102.6 Å²	102.6	60%	0.602	62%	0.617	S	S	*	*	S	Bend	trans	-97	126.9	163.4	-98.4	77.3	0	0	0	109.1	F220 S255	F220-L253 HydrophobicContact CZ-CD1 4.25Å; L253-S255 PolarHBondContact O-N 3.08Å
254	P	33.3	Very low	43.6	Very low	134 Å²	134	100 Å²	100	87%	0.87	63%	0.626	S	S	*	*			trans	-75.3	96.2	-177.2	30.6	-31.1	0	0	0	109.5
255	S	30.2	Very low	41.9	Very low	107 Å²	107	109.6 Å²	109.6	75%	0.748	67%	0.67	S	S	*	*			trans	-103.1	118.3	165.6	-46.4	0	0	0	0	108.5	L253	L253-S255 PolarHBondContact O-N 3.08Å
256	S	30.3	Very low	40.1	Very low	103 Å²	103	111.6 Å²	111.6	72%	0.72	70%	0.698	S	S	*	*			trans	-13	133.8	163.3	51.4	0	0	0	0	118.9
257	E	29.8	Very low	38.3	Very low	177 Å²	177	114.4 Å²	114.4	83%	0.827	72%	0.718	S	S	*	*			trans	86.4	107.8	140.8	-68.1	177.7	-175	0	0	121.1
258	S	31.1	Very low	36.6	Very low	106 Å²	106	116.5 Å²	116.5	74%	0.741	74%	0.74	S	S	*	*			trans	54	110.4	136.3	62	0	0	0	0	120.7
259	S	30.8	Very low	35.1	Very low	118 Å²	118	123.4 Å²	123.4	83%	0.825	78%	0.778	S	S	*	*				175.7	142.6	114.9	-75.3	0	0	0	0	111.8
260	P	36	Very low	33.7	Very low	119 Å²	119	128.7 Å²	128.7	77%	0.773	79%	0.794	S	S	*	*			trans	-103.5	130.4	-175.1	35.6	-27	0	0	0	112.5
261	V	30.3	Very low	32.2	Very low	133 Å²	133	130.6 Å²	130.6	81%	0.806	80%	0.798	S	S	*	*			trans	-156.7	122.3	158.2	172.1	0	0	0	0	112.8
262	N	31.1	Very low	31.6	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	80%	0.795	S	S	*	*			trans	60.5	139.4	144.7	-62.6	-16.8	0	0	0	125.6
263	A	31.3	Very low	31	Very low	108 Å²	108	136.5 Å²	136.5	89%	0.893	80%	0.799	S	S	*	*			trans	-69	149.9	-176.8	0	0	0	0	0	114.9
264	G	28.6	Very low	30.8	Very low	77 Å²	77	139.1 Å²	139.1	79%	0.794	81%	0.812	S	S	*	*			trans	-163.7	129.7	164.3	0	0	0	0	0	109.4
265	E	28.9	Very low	30.7	Very low	206 Å²	206	137.6 Å²	137.6	96%	0.963	81%	0.805	S	S	*	*			trans	-55.9	141.6	-171	-66.8	157.4	136.9	0	0	114.1
266	G	27.8	Very low	31	Very low	70 Å²	70	140.7 Å²	140.7	72%	0.722	81%	0.813	S	S	*	*			trans	175.9	97.3	175.8	0	0	0	0	0	114.4	V268	G266-V268 PolarHBondContact O-N 3.44Å; G266-V268 VanDerWaalsContact O-N 3.12Å
267	T	31.6	Very low	31.5	Very low	147 Å²	147	139 Å²	139	90%	0.902	81%	0.811	S	S	*	*			trans	-50	96.2	177.7	-43.5	0	0	0	0	114.7
268	V	29.4	Very low	32.2	Very low	126 Å²	126	134.1 Å²	134.1	76%	0.764	80%	0.796	S	S	*	*			trans	-149.2	131.2	161.6	-172.2	0	0	0	0	112.2	G266 Q270	G266-V268 PolarHBondContact O-N 3.44Å; G266-V268 VanDerWaalsContact O-N 3.12Å; V268-Q270 PolarHBondContact O-N 2.94Å; V268-Q270 VanDerWaalsContact O-N 3.15Å
269	N	29.6	Very low	33.3	Very low	165 Å²	165	131.8 Å²	131.8	88%	0.882	78%	0.778	S	S	*	*			trans	-33.4	102	174.6	-66.1	-40.6	0	0	0	116
270	Q	31.3	Very low	34.7	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	78%	0.783	S	S	*	*			trans	-90.2	118.2	167.6	-82.1	179	-1.5	0	0	111.5	V268 R272	V268-Q270 PolarHBondContact O-N 2.94Å; V268-Q270 VanDerWaalsContact O-N 3.15Å; Q270-R272 PolarHBondContact O-N 2.7Å
271	R	29	Very low	36.1	Very low	168 Å²	168	130 Å²	130	63%	0.634	75%	0.754	S	S	*	*			trans	-51.2	131.6	157.5	-85.6	174.1	171.6	-172.6	-6.9	109.2	F191 T273	F191-R271 VanDerWaalsContact CB-CZ 3.44Å; R271-T273 PolarHBondContact O-N 2.97Å
272	R	31.2	Very low	38.2	Very low	214 Å²	214	127.4 Å²	127.4	81%	0.808	74%	0.736	S	S	*	*			trans	-64	88.4	176.3	-67.7	174.9	178.4	159.7	-0.6	110.8	Q270	Q270-R272 PolarHBondContact O-N 2.7Å
273	T	30.5	Very low	40.2	Very low	127 Å²	127	122.5 Å²	122.5	78%	0.779	71%	0.707	S	S	*	*			trans	-81.9	105.5	150.1	44.7	0	0	0	0	107	R271 S275	R271-T273 PolarHBondContact O-N 2.97Å; T273-S275 PolarHBondContact O-N 2.78Å
274	I	35.8	Very low	42.3	Very low	170 Å²	170	121.2 Å²	121.2	87%	0.872	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	94.7	171	-59	168.1	0	0	0	106
275	S	31.2	Very low	44.5	Very low	103 Å²	103	128 Å²	128	72%	0.72	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153	-24.6	169.6	-166	0	0	0	0	116	T273	T273-S275 PolarHBondContact O-N 2.78Å
276	D	34.9	Very low	46.9	Very low	172 Å²	172	119 Å²	119	92%	0.92	65%	0.653	S	S	*	*	S	Bend	trans	-108.5	108.2	-178.1	-83.3	-29	0	0	0	112
277	G	42.4	Very low	49.5	Very low	67 Å²	67	123.5 Å²	123.5	69%	0.691	65%	0.652	S	S	*	*	S	Bend	trans	136.3	-3.7	164.2	0	0	0	0	0	117.7
278	C	43.1	Very low	51.9	Low	74 Å²	74	122.3 Å²	122.3	50%	0.5	64%	0.636	S	S	.	*			trans	-91.7	120.3	175.1	-171.7	0	0	0	0	110	D280 Y300	C278-D280 PolarHBondContact O-N 3.03Å; C278-Y300 WeakPolarHBondContact SG-CE2 3.39Å
279	P	54.7	Low	53.9	Low	58 Å²	58	121.1 Å²	121.1	38%	0.377	63%	0.625	S	S	.	*			trans	-57.6	140.7	170.2	22.8	-29.4	0	0	0	109.2	V281	P279-V281 HydrophobicContact CG-CG2 4.3Å; P279-V281 WeakPolarHBondContact O-CG2 3.42Å; P279-V281 PolarHBondContact O-N 3.45Å
280	D	60.3	Low	56.1	Low	174 Å²	174	116.1 Å²	116.1	93%	0.93	61%	0.613	S	S	*	*			trans	-66.1	92.5	179	-158.5	10.9	0	0	0	108.9	C278	C278-D280 PolarHBondContact O-N 3.03Å
281	V	66.1	Low	58.1	Low	26 Å²	26	112.8 Å²	112.8	16%	0.158	61%	0.605	C	S	.	*			trans	-97.6	110.8	-176.3	173.1	0	0	0	0	108.9	P279 F283 P297 Y300	P279-V281 HydrophobicContact CG-CG2 4.3Å; P279-V281 WeakPolarHBondContact O-CG2 3.42Å; P279-V281 PolarHBondContact O-N 3.45Å; V281-F283 HydrophobicContact CB-CE1 4.38Å; V281-F283 HydrophobicContact CB-CZ 4.31Å; V281-F283 HydrophobicContact CG1-CD1 4.04Å; V281-F283 HydrophobicContact CG1-CE1 3.92Å; V281-F283 HydrophobicContact CG1-CZ 4.33Å; V281-F283 VanDerWaalsContact O-CD2 3.28Å; V281-F283 WeakPolarHBondContact O-CD2 3.46Å; V281-F283 WeakPolarHBondContact O-CE2 3.13Å; V281-F283 PolarHBondContact O-N 3.48Å; V281-P297 HydrophobicContact CG1-CG 3.65Å; V281-Y300 HydrophobicContact CG2-CD2 4.12Å
282	D	72.8	Confident	60.4	Low	78 Å²	78	107.1 Å²	107.1	42%	0.417	59%	0.591	S	S	.	*			trans	-71.2	93.2	171.5	-177.1	10.5	0	0	0	111	S284 R285	D282-S284 PolarHBondContact O-N 2.9Å; D282-S284 VanDerWaalsContact O-N 3.07Å; D282-S284 WeakPolarHBondContact OD1-CB 3.4Å; D282-S284 PolarHBondContact OD1-N 2.98Å; D282-S284 VanDerWaalsContact OD1-N 3.09Å; D282-S284 PolarHBondContact OD1-OG 3.33Å; D282-R285 PolarHBondContact O-N 2.96Å; D282-R285 IonicContact OD2-NE 3.9Å
283	F	74.4	Confident	62.9	Low	55 Å²	55	102 Å²	102	24%	0.241	57%	0.573	C	S	.	*	G	3₁₀ helix	trans	-63.9	-10.8	179	-59.6	-74.1	0	0	0	113.7	V281 R285 C286 R294 Y300 L321 F323	V281-F283 HydrophobicContact CB-CE1 4.38Å; V281-F283 HydrophobicContact CB-CZ 4.31Å; V281-F283 HydrophobicContact CG1-CD1 4.04Å; V281-F283 HydrophobicContact CG1-CE1 3.92Å; V281-F283 HydrophobicContact CG1-CZ 4.33Å; V281-F283 VanDerWaalsContact O-CD2 3.28Å; V281-F283 WeakPolarHBondContact O-CD2 3.46Å; V281-F283 WeakPolarHBondContact O-CE2 3.13Å; V281-F283 PolarHBondContact O-N 3.48Å; F283-R285 VanDerWaalsContact C-N 3.26Å; F283-R285 PolarHBondContact O-N 2.93Å; F283-C286 PolarHBondContact O-N 2.94Å; F283-R294 VanDerWaalsContact C-NH1 3.25Å; F283-R294 WeakPolarHBondContact O-CD 3.47Å; F283-R294 PolarHBondContact O-NH1 3.33Å; F283-Y300 HydrophobicContact CZ-CE2 4.23Å; F283-L321 HydrophobicContact CD1-CD2 4.38Å; F283-L321 HydrophobicContact CE1-CD2 4.27Å; F283-L321 HydrophobicContact CZ-CD2 4.47Å; F283-F323 HydrophobicContact CB-CE1 4.26Å; F283-F323 HydrophobicContact CB-CE2 4.05Å; F283-F323 HydrophobicContact CB-CZ 3.39Å; F283-F323 HydrophobicContact CD1-CZ 4.42Å; F283-F323 HydrophobicContact CD2-CZ 4.24Å; F283-F323 HydrophobicContact CG-CE2 4.4Å; F283-F323 AromaticContact CG-CZ 3.79Å; F283-F323 HydrophobicContact CG-CZ 3.79Å
284	S	74.1	Confident	65.5	Low	81 Å²	81	98.7 Å²	98.7	57%	0.566	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-66.8	-29.8	176.1	-38.2	0	0	0	0	112	D282	D282-S284 PolarHBondContact O-N 2.9Å; D282-S284 VanDerWaalsContact O-N 3.07Å; D282-S284 WeakPolarHBondContact OD1-CB 3.4Å; D282-S284 PolarHBondContact OD1-N 2.98Å; D282-S284 VanDerWaalsContact OD1-N 3.09Å; D282-S284 PolarHBondContact OD1-OG 3.33Å
285	R	76.3	Confident	67.9	Low	221 Å²	221	93.6 Å²	93.6	83%	0.834	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-91	-1.2	-179.4	-66	178.5	175.9	-172.7	-2.5	113.8	D282 F283	D282-R285 PolarHBondContact O-N 2.96Å; D282-R285 IonicContact OD2-NE 3.9Å; F283-R285 VanDerWaalsContact C-N 3.26Å; F283-R285 PolarHBondContact O-N 2.93Å
286	C	78.6	Confident	70.3	Confident	17 Å²	17	89.7 Å²	89.7	12%	0.115	49%	0.491	C	S	.	.	S	Bend	trans	-77.6	147.7	-178.5	-69.4	0	0	0	0	112	F283 Q288 R294 L295 P297	F283-C286 PolarHBondContact O-N 2.94Å; C286-Q288 PolarHBondContact O-N 3.26Å; C286-R294 HydrophobicContact CB-CB 4.25Å; C286-L295 VanDerWaalsContact CB-O 3.29Å; C286-L295 WeakPolarHBondContact CB-O 3.22Å; C286-P297 VanDerWaalsContact SG-CG 3.51Å
287	K	81.9	Confident	72.4	Confident	163 Å²	163	83.6 Å²	83.6	71%	0.709	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-62.1	121.9	179.1	-166.7	173.4	-177.4	177.2	0	110	L295	K287-L295 HydrophobicContact CB-CB 4.26Å; K287-L295 PolarHBondContact O-N 2.99Å
288	Q	83.3	Confident	74.1	Confident	123 Å²	123	85.8 Å²	85.8	58%	0.575	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.1	179.5	-66.4	-179.8	1	0	0	110.8	C286 R294	C286-Q288 PolarHBondContact O-N 3.26Å; Q288-R294 HydrophobicContact CG-CG 4.32Å
289	L	69.9	Low	75.6	Confident	100 Å²	100	91 Å²	91	52%	0.524	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	98.1	171	-151.9	101.1	0	0	0	108.2	Y293 Y320	L289-Y293 PolarHBondContact N-O 3.3Å; L289-Y293 WeakPolarHBondContact O-CB 3.39Å; L289-Y320 HydrophobicContact CB-CD1 4.39Å; L289-Y320 HydrophobicContact CB-CE1 4Å; L289-Y320 HydrophobicContact CD1-CE1 4.32Å; L289-Y320 HydrophobicContact CD2-CE1 4.3Å; L289-Y320 HydrophobicContact CG-CE1 4.43Å
290	G	76.8	Confident	76.6	Confident	61 Å²	61	90.8 Å²	90.8	63%	0.629	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	-161.3	-168.8	0	0	0	0	0	112.6
291	V	72.2	Confident	77	Confident	117 Å²	117	89.9 Å²	89.9	71%	0.709	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-26	-173.3	-177.5	0	0	0	0	112	V325	V291-V325 HydrophobicContact CG1-CB 4.22Å; V291-V325 HydrophobicContact CG1-CG1 4.36Å; V291-V325 HydrophobicContact CG1-CG2 3.6Å; V291-V325 VanDerWaalsContact O-CG2 3.3Å; V291-V325 WeakPolarHBondContact O-CG2 3.47Å
292	S	77.5	Confident	77.2	Confident	48 Å²	48	92.9 Å²	92.9	34%	0.336	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-2.3	-165.8	58.3	0	0	0	0	115.7	S322 F323	S292-S322 CarbonylContact O-C 3.57Å; S292-S322 WeakPolarHBondContact O-CA 3.23Å; S292-F323 WeakPolarHBondContact CA-O 3.35Å; S292-F323 PolarHBondContact O-N 2.96Å
293	Y	83.2	Confident	77.1	Confident	108 Å²	108	94.4 Å²	94.4	42%	0.424	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.2	-177.8	-66.8	-84.1	0	0	0	112.5	L289 L321	L289-Y293 PolarHBondContact N-O 3.3Å; L289-Y293 WeakPolarHBondContact O-CB 3.39Å; Y293-L321 WeakPolarHBondContact CA-O 3.44Å
294	R	85.2	Confident	76.8	Confident	56 Å²	56	101.7 Å²	101.7	21%	0.211	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.6	174.3	-57.6	-169.2	-165.9	175.4	1.4	110.4	F283 C286 Q288 Y320 L321 F323	F283-R294 VanDerWaalsContact C-NH1 3.25Å; F283-R294 WeakPolarHBondContact O-CD 3.47Å; F283-R294 PolarHBondContact O-NH1 3.33Å; C286-R294 HydrophobicContact CB-CB 4.25Å; Q288-R294 HydrophobicContact CG-CG 4.32Å; R294-Y320 CarbonylContact O-C 3.59Å; R294-Y320 VanDerWaalsContact O-CA 3.32Å; R294-Y320 WeakPolarHBondContact O-CA 3.44Å; R294-L321 PolarHBondContact N-O 2.94Å; R294-L321 PolarHBondContact O-N 2.56Å; R294-F323 HydrophobicContact CB-CD2 3.8Å; R294-F323 HydrophobicContact CB-CE2 3.75Å; R294-F323 VanDerWaalsContact CD-CD2 3.41Å; R294-F323 HydrophobicContact CG-CD2 3.37Å; R294-F323 HydrophobicContact CG-CE2 3.67Å; R294-F323 HydrophobicContact CG-CG 4.11Å
295	L	86.5	Confident	76.4	Confident	64 Å²	64	101.2 Å²	101.2	34%	0.335	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.7	179.1	-170.6	78.6	0	0	0	110.7	C286 K287 Y320	C286-L295 VanDerWaalsContact CB-O 3.29Å; C286-L295 WeakPolarHBondContact CB-O 3.22Å; K287-L295 HydrophobicContact CB-CB 4.26Å; K287-L295 PolarHBondContact O-N 2.99Å; L295-Y320 HydrophobicContact CB-CD1 4.35Å; L295-Y320 HydrophobicContact CB-CE1 4.21Å; L295-Y320 HydrophobicContact CD1-CD1 4.02Å; L295-Y320 HydrophobicContact CD1-CE1 3.53Å; L295-Y320 HydrophobicContact CD1-CE2 4.4Å
296	I	81.4	Confident	76.2	Confident	21 Å²	21	97.5 Å²	97.5	11%	0.108	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-77.8	128.1	179.4	-62.8	168.9	0	0	0	109	Y300 Y302 K319 L321	I296-Y300 HydrophobicContact CG2-CD1 3.81Å; I296-Y300 HydrophobicContact CG2-CG 3.77Å; I296-Y302 WeakPolarHBondContact CD1-OH 3.48Å; I296-K319 PolarHBondContact N-O 3.44Å; I296-L321 HydrophobicContact CD1-CB 4.1Å; I296-L321 HydrophobicContact CD1-CD1 3.91Å; I296-L321 HydrophobicContact CG1-CB 3.98Å; I296-L321 HydrophobicContact CG1-CD1 4.39Å
297	P	80.7	Confident	76.1	Confident	43 Å²	43	99.7 Å²	99.7	28%	0.279	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-61.5	141.9	178.3	-26.7	37.7	0	0	0	112.3	V281 C286 K299 Y300	V281-P297 HydrophobicContact CG1-CG 3.65Å; C286-P297 VanDerWaalsContact SG-CG 3.51Å; P297-K299 PolarHBondContact O-N 3.23Å; P297-Y300 VanDerWaalsContact O-CB 3.26Å; P297-Y300 WeakPolarHBondContact O-CB 3.5Å; P297-Y300 PolarHBondContact O-N 2.95Å
298	A	76.2	Confident	75.7	Confident	114 Å²	114	96 Å²	96	94%	0.942	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.3	-179.7	0	0	0	0	0	114.3	Y300	A298-Y300 VanDerWaalsContact C-N 3.31Å
299	K	76.1	Confident	75.7	Confident	184 Å²	184	94 Å²	94	80%	0.8	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.8	176	-61.5	-175.2	-179.8	-175.8	0	113.7	P297 Q301	P297-K299 PolarHBondContact O-N 3.23Å; K299-Q301 PolarHBondContact O-N 3.07Å
300	Y	74.3	Confident	76.3	Confident	53 Å²	53	94.6 Å²	94.6	21%	0.208	54%	0.535	C	S	.	.			trans	-75.9	114.6	-178	-172.5	-91.4	0	0	0	110.6	C278 V281 F283 I296 P297 A298 Y302	C278-Y300 WeakPolarHBondContact SG-CE2 3.39Å; V281-Y300 HydrophobicContact CG2-CD2 4.12Å; F283-Y300 HydrophobicContact CZ-CE2 4.23Å; I296-Y300 HydrophobicContact CG2-CD1 3.81Å; I296-Y300 HydrophobicContact CG2-CG 3.77Å; P297-Y300 VanDerWaalsContact O-CB 3.26Å; P297-Y300 WeakPolarHBondContact O-CB 3.5Å; P297-Y300 PolarHBondContact O-N 2.95Å; A298-Y300 VanDerWaalsContact C-N 3.31Å; Y300-Y302 HydrophobicContact CD1-CD1 4.26Å; Y300-Y302 HydrophobicContact CD1-CE1 4.05Å; Y300-Y302 HydrophobicContact CD1-CE2 4.44Å; Y300-Y302 AromaticContact CE1-CD1 3.91Å; Y300-Y302 HydrophobicContact CE1-CD1 3.91Å; Y300-Y302 AromaticContact CE1-CE1 3.83Å; Y300-Y302 HydrophobicContact CE1-CE1 3.83Å; Y300-Y302 HydrophobicContact CE1-CG 4.5Å
301	Q	69.1	Low	76.4	Confident	154 Å²	154	96.6 Å²	96.6	72%	0.72	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-88	121.4	175.1	-77.3	-172.8	6	0	0	110.9	K299	K299-Q301 PolarHBondContact O-N 3.07Å
302	Y	70.3	Confident	76.8	Confident	90 Å²	90	91.5 Å²	91.5	35%	0.353	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-71.4	134.4	173.8	-70.4	-76.9	0	0	0	110.9	I296 Y300 K304 F318	I296-Y302 WeakPolarHBondContact CD1-OH 3.48Å; Y300-Y302 HydrophobicContact CD1-CD1 4.26Å; Y300-Y302 HydrophobicContact CD1-CE1 4.05Å; Y300-Y302 HydrophobicContact CD1-CE2 4.44Å; Y300-Y302 AromaticContact CE1-CD1 3.91Å; Y300-Y302 HydrophobicContact CE1-CD1 3.91Å; Y300-Y302 AromaticContact CE1-CE1 3.83Å; Y300-Y302 HydrophobicContact CE1-CE1 3.83Å; Y300-Y302 HydrophobicContact CE1-CG 4.5Å; Y302-K304 PolarHBondContact O-N 3.04Å; Y302-F318 HydrophobicContact CD2-CD1 4.49Å; Y302-F318 HydrophobicContact CE2-CB 4.26Å; Y302-F318 HydrophobicContact CE2-CD1 4.35Å; Y302-F318 VanDerWaalsContact OH-C 3.27Å; Y302-F318 PolarHBondContact OH-O 2.98Å
303	P	70.1	Confident	76.7	Confident	109 Å²	109	96.2 Å²	96.2	71%	0.708	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-58.2	126.7	167.4	21.6	-29.3	0	0	0	109.4	C305	P303-C305 PolarHBondContact O-N 3.36Å; P303-C305 VanDerWaalsContact O-N 3.12Å
304	K	68.4	Low	76.6	Confident	208 Å²	208	98.8 Å²	98.8	90%	0.904	53%	0.532	S	S	*	.			trans	-65.6	112.4	-179.9	-73.3	-179.8	-179	173.6	0	109	Y302	Y302-K304 PolarHBondContact O-N 3.04Å
305	C	66.5	Low	76.3	Confident	72 Å²	72	101.2 Å²	101.2	49%	0.486	55%	0.553	S	S	.	*			trans	-87.8	117.3	176.8	-159.2	0	0	0	0	109.8	P303 G307 R308	P303-C305 PolarHBondContact O-N 3.36Å; P303-C305 VanDerWaalsContact O-N 3.12Å; C305-G307 PolarHBondContact O-N 3.02Å; C305-R308 PolarHBondContact O-N 3.46Å
306	T	72.9	Confident	75.9	Confident	143 Å²	143	102.7 Å²	102.7	88%	0.877	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-19.5	-176.9	41.3	0	0	0	0	114.1
307	G	76	Confident	75.8	Confident	63 Å²	63	106 Å²	106	65%	0.649	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	14.1	-179.7	0	0	0	0	0	115.6	C305 T309	C305-G307 PolarHBondContact O-N 3.02Å; G307-T309 PolarHBondContact O-N 3.28Å
308	R	74.1	Confident	75.7	Confident	85 Å²	85	107 Å²	107	32%	0.321	58%	0.578	S	S	.	*			trans	-82	109.8	-170.8	-158.3	161.4	-160.1	147.1	4.2	112.6	C305 G312 K313 L316 F318	C305-R308 PolarHBondContact O-N 3.46Å; R308-G312 PolarHBondContact NE-O 3.41Å; R308-G312 PolarHBondContact NH2-O 2.99Å; R308-K313 HydrophobicContact CG-CG 4.21Å; R308-L316 VanDerWaalsContact NH2-CD1 3.31Å; R308-F318 VanDerWaalsContact NH2-CE2 3.32Å
309	T	82.2	Confident	75.8	Confident	82 Å²	82	108.6 Å²	108.6	50%	0.503	56%	0.564	S	S	.	*			trans	-70.2	159.1	174.2	59.4	0	0	0	0	111.8	G307 L311 G312 K313	G307-T309 PolarHBondContact O-N 3.28Å; T309-L311 VanDerWaalsContact C-N 3.29Å; T309-L311 PolarHBondContact O-N 2.77Å; T309-G312 PolarHBondContact O-N 2.92Å; T309-G312 VanDerWaalsContact O-N 3.09Å; T309-G312 PolarHBondContact OG1-N 3.41Å; T309-K313 PolarHBondContact O-N 3.46Å
310	P	82.1	Confident	76.2	Confident	112 Å²	112	103.6 Å²	103.6	73%	0.727	54%	0.541	S	S	*	.	S	Bend	trans	-55.5	-43	174	-23.3	32.7	0	0	0	112.4	G312 K313 E314	P310-G312 VanDerWaalsContact C-N 3.29Å; P310-G312 PolarHBondContact O-N 3.43Å; P310-K313 WeakPolarHBondContact O-CB 3.33Å; P310-K313 PolarHBondContact O-N 3.21Å; P310-E314 PolarHBondContact O-N 3.36Å
311	L	78.8	Confident	76.5	Confident	102 Å²	102	103.8 Å²	103.8	53%	0.534	55%	0.545	S	S	.	.	H	α-helix	trans	-57.9	-40.9	174.8	-173.3	68.7	0	0	0	111.9	T309 K313 E314 V315	T309-L311 VanDerWaalsContact C-N 3.29Å; T309-L311 PolarHBondContact O-N 2.77Å; L311-K313 PolarHBondContact O-N 3.43Å; L311-E314 PolarHBondContact O-N 2.91Å; L311-E314 VanDerWaalsContact O-N 3.11Å; L311-V315 HydrophobicContact CD1-CG2 3.84Å; L311-V315 HydrophobicContact CG-CG2 4.13Å; L311-V315 WeakPolarHBondContact O-CG2 3.45Å; L311-V315 PolarHBondContact O-N 3.06Å
312	G	80.1	Confident	76.9	Confident	11 Å²	11	100.1 Å²	100.1	11%	0.113	54%	0.537	C	S	.	.	H	α-helix	trans	-69.8	-9.8	175.6	0	0	0	0	0	114.8	R308 T309 P310 L316	R308-G312 PolarHBondContact NE-O 3.41Å; R308-G312 PolarHBondContact NH2-O 2.99Å; T309-G312 PolarHBondContact O-N 2.92Å; T309-G312 VanDerWaalsContact O-N 3.09Å; T309-G312 PolarHBondContact OG1-N 3.41Å; P310-G312 VanDerWaalsContact C-N 3.29Å; P310-G312 PolarHBondContact O-N 3.43Å; G312-L316 WeakPolarHBondContact O-CB 3.49Å; G312-L316 WeakPolarHBondContact O-CD1 3.46Å
313	K	77.4	Confident	76.9	Confident	146 Å²	146	98.2 Å²	98.2	64%	0.635	53%	0.53	S	S	*	.	H	α-helix	trans	-88.9	-24.9	169	-68.7	-178.6	-179.1	174.8	0	112.6	R308 T309 P310 L311 F318	R308-K313 HydrophobicContact CG-CG 4.21Å; T309-K313 PolarHBondContact O-N 3.46Å; P310-K313 WeakPolarHBondContact O-CB 3.33Å; P310-K313 PolarHBondContact O-N 3.21Å; L311-K313 PolarHBondContact O-N 3.43Å; K313-F318 WeakPolarHBondContact O-CE2 3.48Å
314	E	79.5	Confident	76.5	Confident	163 Å²	163	96.7 Å²	96.7	76%	0.762	52%	0.521	S	S	*	.	H	α-helix	trans	-88.2	-45.1	-179	-171.5	175.8	-175.7	0	0	112.2	P310 L311	P310-E314 PolarHBondContact O-N 3.36Å; L311-E314 PolarHBondContact O-N 2.91Å; L311-E314 VanDerWaalsContact O-N 3.11Å
315	V	80.5	Confident	75.9	Confident	106 Å²	106	89.8 Å²	89.8	64%	0.642	50%	0.495	S	S	*	.	S	Bend	trans	-86.3	-33.4	-170.1	-179.3	0	0	0	0	113.1	L311	L311-V315 HydrophobicContact CD1-CG2 3.84Å; L311-V315 HydrophobicContact CG-CG2 4.13Å; L311-V315 WeakPolarHBondContact O-CG2 3.45Å; L311-V315 PolarHBondContact O-N 3.06Å
316	L	78	Confident	75.2	Confident	96 Å²	96	91.7 Å²	91.7	50%	0.503	50%	0.496	S	S	.	.	S	Bend	trans	-78.5	141.2	-173.9	-66.2	177.2	0	0	0	111.4	R308 G312 F318	R308-L316 VanDerWaalsContact NH2-CD1 3.31Å; G312-L316 WeakPolarHBondContact O-CB 3.49Å; G312-L316 WeakPolarHBondContact O-CD1 3.46Å; L316-F318 HydrophobicContact CB-CE2 4.25Å; L316-F318 WeakPolarHBondContact O-CD2 3.31Å; L316-F318 VanDerWaalsContact O-CE2 3.31Å; L316-F318 WeakPolarHBondContact O-CE2 3.31Å; L316-F318 PolarHBondContact O-N 3.11Å
317	N	77.7	Confident	73.9	Confident	91 Å²	91	92.5 Å²	92.5	49%	0.487	49%	0.489	S	S	.	.			trans	-74.8	124.1	176.7	175.4	16.9	0	0	0	111.4	K319 Y320	N317-K319 PolarHBondContact OD1-N 3.35Å; N317-Y320 PolarHBondContact ND2-O 3.03Å; N317-Y320 PolarHBondContact OD1-N 3.46Å
318	F	78.7	Confident	72.6	Confident	62 Å²	62	92 Å²	92	27%	0.272	48%	0.476	S	S	.	.			trans	-122.5	5.8	173.8	-58.7	-103.5	0	0	0	113.3	Y302 R308 K313 L316	Y302-F318 HydrophobicContact CD2-CD1 4.49Å; Y302-F318 HydrophobicContact CE2-CB 4.26Å; Y302-F318 HydrophobicContact CE2-CD1 4.35Å; Y302-F318 VanDerWaalsContact OH-C 3.27Å; Y302-F318 PolarHBondContact OH-O 2.98Å; R308-F318 VanDerWaalsContact NH2-CE2 3.32Å; K313-F318 WeakPolarHBondContact O-CE2 3.48Å; L316-F318 HydrophobicContact CB-CE2 4.25Å; L316-F318 WeakPolarHBondContact O-CD2 3.31Å; L316-F318 VanDerWaalsContact O-CE2 3.31Å; L316-F318 WeakPolarHBondContact O-CE2 3.31Å; L316-F318 PolarHBondContact O-N 3.11Å
319	K	79.1	Confident	71.1	Confident	149 Å²	149	93.3 Å²	93.3	65%	0.648	49%	0.486	S	S	*	.	S	Bend	trans	-104.7	-32.2	-176.3	-70.9	-179.5	-180	174.5	0	111.1	I296 N317	I296-K319 PolarHBondContact N-O 3.44Å; N317-K319 PolarHBondContact OD1-N 3.35Å
320	Y	83.7	Confident	69.1	Low	78 Å²	78	97.3 Å²	97.3	31%	0.306	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.2	-175.1	-60.2	-86.1	0	0	0	111.8	L289 R294 L295 N317	L289-Y320 HydrophobicContact CB-CD1 4.39Å; L289-Y320 HydrophobicContact CB-CE1 4Å; L289-Y320 HydrophobicContact CD1-CE1 4.32Å; L289-Y320 HydrophobicContact CD2-CE1 4.3Å; L289-Y320 HydrophobicContact CG-CE1 4.43Å; R294-Y320 CarbonylContact O-C 3.59Å; R294-Y320 VanDerWaalsContact O-CA 3.32Å; R294-Y320 WeakPolarHBondContact O-CA 3.44Å; L295-Y320 HydrophobicContact CB-CD1 4.35Å; L295-Y320 HydrophobicContact CB-CE1 4.21Å; L295-Y320 HydrophobicContact CD1-CD1 4.02Å; L295-Y320 HydrophobicContact CD1-CE1 3.53Å; L295-Y320 HydrophobicContact CD1-CE2 4.4Å; N317-Y320 PolarHBondContact ND2-O 3.03Å; N317-Y320 PolarHBondContact OD1-N 3.46Å
321	L	80.4	Confident	67.2	Low	58 Å²	58	96.5 Å²	96.5	30%	0.304	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.2	169	-151.3	89.3	0	0	0	108.9	F283 Y293 R294 I296 F323	F283-L321 HydrophobicContact CD1-CD2 4.38Å; F283-L321 HydrophobicContact CE1-CD2 4.27Å; F283-L321 HydrophobicContact CZ-CD2 4.47Å; Y293-L321 WeakPolarHBondContact CA-O 3.44Å; R294-L321 PolarHBondContact N-O 2.94Å; R294-L321 PolarHBondContact O-N 2.56Å; I296-L321 HydrophobicContact CD1-CB 4.1Å; I296-L321 HydrophobicContact CD1-CD1 3.91Å; I296-L321 HydrophobicContact CG1-CB 3.98Å; I296-L321 HydrophobicContact CG1-CD1 4.39Å; L321-F323 HydrophobicContact CB-CE2 4.06Å; L321-F323 HydrophobicContact CD2-CD2 4.35Å; L321-F323 HydrophobicContact CD2-CE2 3.51Å; L321-F323 HydrophobicContact CD2-CZ 3.8Å; L321-F323 HydrophobicContact CG-CE2 4.32Å
322	S	77.9	Confident	65.8	Low	77 Å²	77	97.1 Å²	97.1	54%	0.538	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.9	172.9	57.6	0	0	0	0	110.5	S292 P324	S292-S322 CarbonylContact O-C 3.57Å; S292-S322 WeakPolarHBondContact O-CA 3.23Å; S322-P324 WeakPolarHBondContact O-CD 3.26Å
323	F	70	Confident	64	Low	50 Å²	50	106.1 Å²	106.1	22%	0.219	54%	0.535	C	S	.	.			trans	-103.9	95.4	167.6	-80.6	-96.1	0	0	0	108	F283 S292 R294 L321 V325	F283-F323 HydrophobicContact CB-CE1 4.26Å; F283-F323 HydrophobicContact CB-CE2 4.05Å; F283-F323 HydrophobicContact CB-CZ 3.39Å; F283-F323 HydrophobicContact CD1-CZ 4.42Å; F283-F323 HydrophobicContact CD2-CZ 4.24Å; F283-F323 HydrophobicContact CG-CE2 4.4Å; F283-F323 AromaticContact CG-CZ 3.79Å; F283-F323 HydrophobicContact CG-CZ 3.79Å; S292-F323 WeakPolarHBondContact CA-O 3.35Å; S292-F323 PolarHBondContact O-N 2.96Å; R294-F323 HydrophobicContact CB-CD2 3.8Å; R294-F323 HydrophobicContact CB-CE2 3.75Å; R294-F323 VanDerWaalsContact CD-CD2 3.41Å; R294-F323 HydrophobicContact CG-CD2 3.37Å; R294-F323 HydrophobicContact CG-CE2 3.67Å; R294-F323 HydrophobicContact CG-CG 4.11Å; L321-F323 HydrophobicContact CB-CE2 4.06Å; L321-F323 HydrophobicContact CD2-CD2 4.35Å; L321-F323 HydrophobicContact CD2-CE2 3.51Å; L321-F323 HydrophobicContact CD2-CZ 3.8Å; L321-F323 HydrophobicContact CG-CE2 4.32Å; F323-V325 PolarHBondContact O-N 3.37Å
324	P	62.6	Low	62.5	Low	77 Å²	77	102.5 Å²	102.5	50%	0.5	53%	0.525	S	S	.	.			trans	-60.3	121.9	175.9	25	-33.4	0	0	0	109.3	S322 F326	S322-P324 WeakPolarHBondContact O-CD 3.26Å; P324-F326 HydrophobicContact CB-CD2 4.07Å; P324-F326 HydrophobicContact CB-CE1 4.45Å; P324-F326 HydrophobicContact CB-CE2 3.65Å; P324-F326 HydrophobicContact CB-CZ 3.85Å; P324-F326 HydrophobicContact CG-CD2 4.04Å; P324-F326 HydrophobicContact CG-CE2 3.34Å; P324-F326 HydrophobicContact CG-CZ 3.81Å; P324-F326 PolarHBondContact O-N 3.21Å
325	V	56.8	Low	60.8	Low	62 Å²	62	99.8 Å²	99.8	38%	0.376	52%	0.519	S	S	.	.			trans	-85.8	89.9	174	-179.6	0	0	0	0	107.5	V291 F323 Q327	V291-V325 HydrophobicContact CG1-CB 4.22Å; V291-V325 HydrophobicContact CG1-CG1 4.36Å; V291-V325 HydrophobicContact CG1-CG2 3.6Å; V291-V325 VanDerWaalsContact O-CG2 3.3Å; V291-V325 WeakPolarHBondContact O-CG2 3.47Å; F323-V325 PolarHBondContact O-N 3.37Å; V325-Q327 HydrophobicContact CG1-CB 3.86Å; V325-Q327 VanDerWaalsContact CG1-CD 3.45Å; V325-Q327 HydrophobicContact CG1-CG 3.45Å; V325-Q327 VanDerWaalsContact CG1-CG 3.45Å; V325-Q327 PolarHBondContact O-N 3.37Å
326	F	51.4	Low	59.4	Low	113 Å²	113	97.8 Å²	97.8	50%	0.496	51%	0.51	S	S	.	.			trans	-70.5	27.1	177.2	-69.3	-74.4	0	0	0	113.9	P324 S328 E329	P324-F326 HydrophobicContact CB-CD2 4.07Å; P324-F326 HydrophobicContact CB-CE1 4.45Å; P324-F326 HydrophobicContact CB-CE2 3.65Å; P324-F326 HydrophobicContact CB-CZ 3.85Å; P324-F326 HydrophobicContact CG-CD2 4.04Å; P324-F326 HydrophobicContact CG-CE2 3.34Å; P324-F326 HydrophobicContact CG-CZ 3.81Å; P324-F326 PolarHBondContact O-N 3.21Å; F326-S328 PolarHBondContact O-N 2.75Å; F326-E329 PolarHBondContact O-N 3.42Å
327	Q	45.8	Very low	58.4	Low	159 Å²	159	101 Å²	101	74%	0.743	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-8.4	-175.8	-82.1	178.1	2.1	0	0	114.7	V325	V325-Q327 HydrophobicContact CG1-CB 3.86Å; V325-Q327 VanDerWaalsContact CG1-CD 3.45Å; V325-Q327 HydrophobicContact CG1-CG 3.45Å; V325-Q327 VanDerWaalsContact CG1-CG 3.45Å; V325-Q327 PolarHBondContact O-N 3.37Å
328	S	47.6	Very low	57.8	Low	53 Å²	53	102.1 Å²	102.1	37%	0.371	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-12.6	177.4	60.9	0	0	0	0	115.8	F326	F326-S328 PolarHBondContact O-N 2.75Å
329	E	43.3	Very low	57.7	Low	113 Å²	113	99.4 Å²	99.4	53%	0.528	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-32.7	-174.8	-68.5	-161.6	150.2	0	0	113.8	F326 R338	F326-E329 PolarHBondContact O-N 3.42Å; E329-R338 IonicContact OE1-CZ 2.78Å; E329-R338 IonicContact OE1-NH2 2.86Å; E329-R338 PolarHBondContact OE1-NH2 2.92Å
330	E	40	Very low	57.8	Low	165 Å²	165	96.1 Å²	96.1	77%	0.771	50%	0.5	S	S	*	.	S	Bend	trans	-83.2	-12.5	-177.6	-69.2	-170.3	160.3	0	0	114.2	P332	E330-P332 WeakPolarHBondContact O-CD 3.42Å
331	N	43.1	Very low	57.8	Low	96 Å²	96	95 Å²	95	51%	0.513	50%	0.497	S	S	.	.			trans	-96.6	103.8	172.2	-97.2	-37.7	0	0	0	110.1	K333 T334	N331-K333 PolarHBondContact O-N 3.11Å; N331-T334 WeakPolarHBondContact CB-OG1 3.22Å; N331-T334 PolarHBondContact O-N 3.23Å; N331-T334 PolarHBondContact O-OG1 2.97Å
332	P	48.1	Very low	57.9	Low	115 Å²	115	95.1 Å²	95.1	75%	0.747	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-7.8	174.7	24	-33.1	0	0	0	113.5	E330	E330-P332 WeakPolarHBondContact O-CD 3.42Å
333	K	43	Very low	58.2	Low	200 Å²	200	97.2 Å²	97.2	87%	0.87	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.9	174.2	-67.7	-177	179.1	177.7	0	114.1	N331	N331-K333 PolarHBondContact O-N 3.11Å
334	T	44.6	Very low	58.9	Low	69 Å²	69	96.9 Å²	96.9	42%	0.423	50%	0.499	S	S	.	.			trans	-129.6	52.7	179.5	53.7	0	0	0	0	110.5	N331 S336	N331-T334 WeakPolarHBondContact CB-OG1 3.22Å; N331-T334 PolarHBondContact O-N 3.23Å; N331-T334 PolarHBondContact O-OG1 2.97Å; T334-S336 PolarHBondContact O-N 3.05Å
335	T	44	Very low	60	Low	106 Å²	106	94.9 Å²	94.9	65%	0.65	48%	0.484	S	S	*	.			trans	-62	106.6	160.6	-40.9	0	0	0	0	106.1	K337	T335-K337 PolarHBondContact O-N 3.13Å
336	S	52.3	Low	61.4	Low	64 Å²	64	97.5 Å²	97.5	45%	0.448	49%	0.488	S	S	.	.			trans	-52.1	118	161.3	55.2	0	0	0	0	105.1	T334 R338	T334-S336 PolarHBondContact O-N 3.05Å; S336-R338 PolarHBondContact O-N 3.31Å
337	K	56.6	Low	63.1	Low	165 Å²	165	94.4 Å²	94.4	72%	0.717	48%	0.478	S	S	*	.			trans	-63	95	178.3	-70.9	-177.9	-179.5	179.2	0	105.5	T335 S339 I439	T335-K337 PolarHBondContact O-N 3.13Å; K337-S339 PolarHBondContact O-N 3.24Å; K337-I439 HydrophobicContact CB-CG2 4.07Å; K337-I439 HydrophobicContact CD-CG2 4.39Å; K337-I439 WeakPolarHBondContact O-CD1 3.35Å
338	R	65.8	Low	65.1	Low	114 Å²	114	87.4 Å²	87.4	43%	0.43	45%	0.447	S	S	.	.			trans	-56.7	136	175.5	-68.7	-178.3	-176.6	-180	1	106.7	E329 S336	E329-R338 IonicContact OE1-CZ 2.78Å; E329-R338 IonicContact OE1-NH2 2.86Å; E329-R338 PolarHBondContact OE1-NH2 2.92Å; S336-R338 PolarHBondContact O-N 3.31Å
339	S	75.9	Confident	67	Low	5 Å²	5	90 Å²	90	4%	0.035	45%	0.453	C	S	.	.			trans	-58.4	137.2	173.8	177.3	0	0	0	0	108	K337 F341 Q342 E343 K432	K337-S339 PolarHBondContact O-N 3.24Å; S339-F341 PolarHBondContact O-N 3.22Å; S339-F341 WeakPolarHBondContact OG-CD2 3.21Å; S339-F341 PolarHBondContact OG-N 3.06Å; S339-Q342 WeakPolarHBondContact O-CA 3.28Å; S339-Q342 WeakPolarHBondContact O-CB 3.45Å; S339-Q342 PolarHBondContact O-N 3.21Å; S339-E343 PolarHBondContact O-N 3Å; S339-K432 PolarHBondContact OG-O 3.19Å
340	P	81.2	Confident	69.2	Low	79 Å²	79	87.7 Å²	87.7	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-55.1	-27.3	174.6	22.8	-33.5	0	0	0	111.8	T344	P340-T344 WeakPolarHBondContact O-CB 3.12Å; P340-T344 PolarHBondContact O-N 3.31Å; P340-T344 PolarHBondContact O-OG1 3.1Å
341	F	83.5	Confident	71.5	Confident	56 Å²	56	83.6 Å²	83.6	25%	0.246	43%	0.425	C	S	.	.	H	α-helix	trans	-73.1	-36.3	174.7	-54.5	-68.5	0	0	0	112.7	S339 T344 L345 C429 K432 A433	S339-F341 PolarHBondContact O-N 3.22Å; S339-F341 WeakPolarHBondContact OG-CD2 3.21Å; S339-F341 PolarHBondContact OG-N 3.06Å; F341-T344 PolarHBondContact O-N 3.21Å; F341-L345 WeakPolarHBondContact O-CG 3.41Å; F341-L345 PolarHBondContact O-N 2.85Å; F341-C429 HydrophobicContact CB-CB 4.32Å; F341-K432 HydrophobicContact CB-CB 3.74Å; F341-K432 HydrophobicContact CD1-CB 3.74Å; F341-K432 HydrophobicContact CD1-CD 3.61Å; F341-K432 HydrophobicContact CD1-CG 4.31Å; F341-K432 HydrophobicContact CD2-CB 3.37Å; F341-K432 HydrophobicContact CD2-CD 4.28Å; F341-K432 HydrophobicContact CD2-CG 4.4Å; F341-K432 HydrophobicContact CE1-CB 4.18Å; F341-K432 HydrophobicContact CE1-CD 3.34Å; F341-K432 HydrophobicContact CE1-CG 4.39Å; F341-K432 HydrophobicContact CE2-CB 3.84Å; F341-K432 HydrophobicContact CE2-CD 4.03Å; F341-K432 HydrophobicContact CE2-CG 4.45Å; F341-K432 HydrophobicContact CG-CB 3.3Å; F341-K432 HydrophobicContact CG-CD 4.08Å; F341-K432 HydrophobicContact CG-CG 4.32Å; F341-K432 HydrophobicContact CZ-CB 4.23Å; F341-K432 HydrophobicContact CZ-CD 3.57Å; F341-K432 HydrophobicContact CZ-CG 4.46Å; F341-A433 HydrophobicContact CB-CB 4.12Å
342	Q	83.6	Confident	73.6	Confident	60 Å²	60	81.6 Å²	81.6	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-67.3	-40.8	173.3	-166.8	-170.8	-1.1	0	0	110.7	S339 T344 L345 Y346 A433	S339-Q342 WeakPolarHBondContact O-CA 3.28Å; S339-Q342 WeakPolarHBondContact O-CB 3.45Å; S339-Q342 PolarHBondContact O-N 3.21Å; Q342-T344 VanDerWaalsContact C-N 3.31Å; Q342-T344 PolarHBondContact O-N 3.4Å; Q342-L345 PolarHBondContact O-N 2.94Å; Q342-Y346 HydrophobicContact CG-CD2 4.02Å; Q342-Y346 HydrophobicContact CG-CE2 3.51Å; Q342-Y346 PolarHBondContact NE2-OH 3.3Å; Q342-Y346 VanDerWaalsContact NE2-OH 3.1Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.48Å; Q342-Y346 PolarHBondContact O-N 3.11Å; Q342-A433 HydrophobicContact CB-CB 4.11Å
343	E	82.3	Confident	75.5	Confident	120 Å²	120	81.9 Å²	81.9	56%	0.561	40%	0.402	S	S	*	.	H	α-helix	trans	-61	-41.7	172.4	-172	170.6	-170.5	0	0	111.4	S339 L345 Y346 T347	S339-E343 PolarHBondContact O-N 3Å; E343-L345 PolarHBondContact O-N 3.37Å; E343-Y346 PolarHBondContact O-N 2.95Å; E343-T347 WeakPolarHBondContact O-CG2 3.46Å; E343-T347 PolarHBondContact O-N 3.46Å; E343-T347 PolarHBondContact O-OG1 3.44Å
344	T	85.9	Confident	77.6	Confident	44 Å²	44	76.1 Å²	76.1	27%	0.27	38%	0.378	S	S	.	.	H	α-helix	trans	-61.3	-43.5	175.7	-55.9	0	0	0	0	111.8	P340 F341 Q342 T347 T348 M425	P340-T344 WeakPolarHBondContact O-CB 3.12Å; P340-T344 PolarHBondContact O-N 3.31Å; P340-T344 PolarHBondContact O-OG1 3.1Å; F341-T344 PolarHBondContact O-N 3.21Å; Q342-T344 VanDerWaalsContact C-N 3.31Å; Q342-T344 PolarHBondContact O-N 3.4Å; T344-T347 WeakPolarHBondContact CA-OG1 3.49Å; T344-T347 PolarHBondContact O-N 3.23Å; T344-T347 PolarHBondContact O-OG1 3.09Å; T344-T348 WeakPolarHBondContact O-CB 3.47Å; T344-T348 PolarHBondContact O-N 2.89Å; T344-T348 PolarHBondContact O-OG1 3.39Å; T344-M425 HydrophobicContact CG2-CG 3.83Å; T344-M425 HydrophobicContact CG2-SD 3.55Å; T344-M425 VanDerWaalsContact CG2-SD 3.55Å
345	L	86.2	Confident	79.6	Confident	35 Å²	35	73.3 Å²	73.3	18%	0.183	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-46.2	174.2	-71.7	178	0	0	0	112	F341 Q342 E343 T347 T348 E349 N426 C429 A433	F341-L345 WeakPolarHBondContact O-CG 3.41Å; F341-L345 PolarHBondContact O-N 2.85Å; Q342-L345 PolarHBondContact O-N 2.94Å; E343-L345 PolarHBondContact O-N 3.37Å; L345-T347 VanDerWaalsContact C-N 3.34Å; L345-T347 PolarHBondContact O-N 3.42Å; L345-T348 WeakPolarHBondContact O-CB 3.29Å; L345-T348 PolarHBondContact O-N 3.16Å; L345-E349 PolarHBondContact O-N 3.44Å; L345-N426 HydrophobicContact CD2-CB 4.24Å; L345-N426 VanDerWaalsContact CD2-OD1 3.26Å; L345-N426 WeakPolarHBondContact CD2-OD1 3.31Å; L345-C429 HydrophobicContact CD2-CB 3.75Å; L345-C429 HydrophobicContact CG-CB 3.85Å; L345-A433 HydrophobicContact CD1-CB 3.39Å; L345-A433 HydrophobicContact CG-CB 4.35Å
346	Y	85.4	Confident	81.6	Confident	116 Å²	116	71.4 Å²	71.4	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-43.4	176.1	-74.9	-57.7	0	0	0	112.1	Q342 E343 T348 E349 D350	Q342-Y346 HydrophobicContact CG-CD2 4.02Å; Q342-Y346 HydrophobicContact CG-CE2 3.51Å; Q342-Y346 PolarHBondContact NE2-OH 3.3Å; Q342-Y346 VanDerWaalsContact NE2-OH 3.1Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.48Å; Q342-Y346 PolarHBondContact O-N 3.11Å; E343-Y346 PolarHBondContact O-N 2.95Å; Y346-T348 VanDerWaalsContact C-N 3.27Å; Y346-T348 PolarHBondContact O-N 2.81Å; Y346-E349 PolarHBondContact O-N 3.22Å; Y346-D350 WeakPolarHBondContact O-CB 3.43Å; Y346-D350 PolarHBondContact O-N 3.12Å
347	T	87.5	Confident	83.2	Confident	48 Å²	48	71.4 Å²	71.4	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-34.6	177.3	56.2	0	0	0	0	112.3	E343 T344 L345 E351	E343-T347 WeakPolarHBondContact O-CG2 3.46Å; E343-T347 PolarHBondContact O-N 3.46Å; E343-T347 PolarHBondContact O-OG1 3.44Å; T344-T347 WeakPolarHBondContact CA-OG1 3.49Å; T344-T347 PolarHBondContact O-N 3.23Å; T344-T347 PolarHBondContact O-OG1 3.09Å; L345-T347 VanDerWaalsContact C-N 3.34Å; L345-T347 PolarHBondContact O-N 3.42Å; T347-E351 WeakPolarHBondContact O-CB 3.29Å; T347-E351 VanDerWaalsContact O-CG 3.25Å; T347-E351 WeakPolarHBondContact O-CG 3.43Å; T347-E351 PolarHBondContact O-N 3.14Å
348	T	87.8	Confident	84.5	Confident	13 Å²	13	65.3 Å²	65.3	8%	0.08	32%	0.318	C	S	.	.	H	α-helix	trans	-68.9	-42.9	177.4	-56.6	0	0	0	0	110.8	T344 L345 Y346 E351 H352 W422 M425	T344-T348 WeakPolarHBondContact O-CB 3.47Å; T344-T348 PolarHBondContact O-N 2.89Å; T344-T348 PolarHBondContact O-OG1 3.39Å; L345-T348 WeakPolarHBondContact O-CB 3.29Å; L345-T348 PolarHBondContact O-N 3.16Å; Y346-T348 VanDerWaalsContact C-N 3.27Å; Y346-T348 PolarHBondContact O-N 2.81Å; T348-E351 PolarHBondContact O-N 2.91Å; T348-H352 WeakPolarHBondContact O-CB 3.42Å; T348-H352 PolarHBondContact O-N 3.29Å; T348-W422 HydrophobicContact CG2-CB 3.83Å; T348-W422 HydrophobicContact CG2-CG 3.91Å; T348-M425 HydrophobicContact CG2-CB 4.5Å
349	E	87.2	Confident	85.4	Confident	106 Å²	106	61 Å²	61	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-67.8	-41	176.7	-171.2	60.6	-155.4	0	0	111.9	L345 Y346 E351 H352 F353	L345-E349 PolarHBondContact O-N 3.44Å; Y346-E349 PolarHBondContact O-N 3.22Å; E349-E351 VanDerWaalsContact C-N 3.33Å; E349-E351 PolarHBondContact O-N 2.75Å; E349-H352 PolarHBondContact O-N 2.73Å; E349-F353 WeakPolarHBondContact O-CB 3.41Å; E349-F353 PolarHBondContact O-N 2.8Å
350	D	89.1	Confident	85.8	Confident	65 Å²	65	63.5 Å²	63.5	35%	0.348	32%	0.324	S	S	.	.	H	α-helix	trans	-57.6	-45.3	172.3	-92.8	20.9	0	0	0	110.8	R158 Y346 F353 E354	R158-D350 IonicContact CZ-OD2 3.62Å; R158-D350 IonicContact NH1-OD2 2.79Å; R158-D350 PolarHBondContact NH1-OD2 2.84Å; R158-D350 IonicContact NH2-OD2 3.91Å; Y346-D350 WeakPolarHBondContact O-CB 3.43Å; Y346-D350 PolarHBondContact O-N 3.12Å; D350-F353 PolarHBondContact O-N 2.96Å; D350-E354 WeakPolarHBondContact O-CB 3.46Å; D350-E354 VanDerWaalsContact O-CG 3.25Å; D350-E354 WeakPolarHBondContact O-CG 3.46Å; D350-E354 PolarHBondContact O-N 3.28Å
351	E	87.4	Confident	86	Confident	79 Å²	79	63.8 Å²	63.8	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-39.7	177.8	-76.8	176	-170.5	0	0	112.3	K155 T347 T348 E349 T355 W422	K155-E351 IonicContact NZ-OE1 2.91Å; T347-E351 WeakPolarHBondContact O-CB 3.29Å; T347-E351 VanDerWaalsContact O-CG 3.25Å; T347-E351 WeakPolarHBondContact O-CG 3.43Å; T347-E351 PolarHBondContact O-N 3.14Å; T348-E351 PolarHBondContact O-N 2.91Å; E349-E351 VanDerWaalsContact C-N 3.33Å; E349-E351 PolarHBondContact O-N 2.75Å; E351-T355 WeakPolarHBondContact O-CB 3.45Å; E351-T355 PolarHBondContact O-N 3.4Å; E351-T355 VanDerWaalsContact O-N 3.12Å; E351-T355 PolarHBondContact O-OG1 3.48Å; E351-W422 HydrophobicContact CB-CZ2 4.07Å; E351-W422 PolarHBondContact OE2-NE1 2.91Å
352	H	87.4	Confident	85.9	Confident	55 Å²	55	62.2 Å²	62.2	26%	0.255	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-51.9	174.7	-177.2	-102.6	0	0	0	110.8	T348 E349 E354 T355 D356 W422	T348-H352 WeakPolarHBondContact O-CB 3.42Å; T348-H352 PolarHBondContact O-N 3.29Å; E349-H352 PolarHBondContact O-N 2.73Å; H352-E354 PolarHBondContact O-N 2.91Å; H352-T355 WeakPolarHBondContact O-CB 3.48Å; H352-T355 PolarHBondContact O-N 2.84Å; H352-T355 VanDerWaalsContact O-N 3.17Å; H352-D356 IonicContact CE1-OD2 3.87Å; H352-D356 PolarHBondContact CE1-OD2 3.44Å; H352-D356 IonicContact ND1-OD2 2.64Å; H352-D356 IonicContact NE2-OD2 3.53Å; H352-D356 PolarHBondContact O-N 3.29Å; H352-W422 HydrophobicContact CB-CE3 4.35Å; H352-W422 HydrophobicContact CB-CH2 4.46Å; H352-W422 HydrophobicContact CB-CZ3 4.33Å; H352-W422 AromaticContact CD2-CE3 3.6Å; H352-W422 AromaticContact CD2-CZ3 3.51Å
353	F	88.3	Confident	85.7	Confident	120 Å²	120	66.7 Å²	66.7	53%	0.526	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-44.6	179.9	-179.6	-109.2	0	0	0	112.9	E349 D350 T355 D356 I357	E349-F353 WeakPolarHBondContact O-CB 3.41Å; E349-F353 PolarHBondContact O-N 2.8Å; D350-F353 PolarHBondContact O-N 2.96Å; F353-T355 VanDerWaalsContact C-N 3.3Å; F353-T355 PolarHBondContact O-N 3.14Å; F353-D356 PolarHBondContact O-N 3.38Å; F353-I357 HydrophobicContact CD1-CD1 3.57Å; F353-I357 HydrophobicContact CD1-CG1 4.46Å; F353-I357 HydrophobicContact CE1-CD1 3.14Å; F353-I357 HydrophobicContact CE1-CG1 4.16Å; F353-I357 HydrophobicContact CE2-CD1 4.16Å; F353-I357 HydrophobicContact CE2-CG1 4.36Å; F353-I357 HydrophobicContact CG-CD1 4.26Å; F353-I357 HydrophobicContact CZ-CD1 3.47Å; F353-I357 VanDerWaalsContact CZ-CD1 3.47Å; F353-I357 HydrophobicContact CZ-CG1 4.09Å; F353-I357 WeakPolarHBondContact O-CG1 3.22Å; F353-I357 PolarHBondContact O-N 2.75Å
354	E	87.2	Confident	85.7	Confident	79 Å²	79	65.1 Å²	65.1	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-39.2	175.7	-76.2	-75.2	155.6	0	0	111.8	R154 D350 H352 I357 V358	R154-E354 IonicContact NH1-OE2 3.7Å; R154-E354 PolarHBondContact NH1-OE2 2.99Å; D350-E354 WeakPolarHBondContact O-CB 3.46Å; D350-E354 VanDerWaalsContact O-CG 3.25Å; D350-E354 WeakPolarHBondContact O-CG 3.46Å; D350-E354 PolarHBondContact O-N 3.28Å; H352-E354 PolarHBondContact O-N 2.91Å; E354-I357 PolarHBondContact O-N 3.06Å; E354-V358 VanDerWaalsContact O-CG2 3.31Å; E354-V358 WeakPolarHBondContact O-CG2 3.24Å; E354-V358 PolarHBondContact O-N 3.01Å
355	T	86	Confident	85.4	Confident	10 Å²	10	67 Å²	67	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-66.3	-43.6	177.3	-56.5	0	0	0	0	111.1	E351 H352 F353 V358 I359 L415 W422	E351-T355 WeakPolarHBondContact O-CB 3.45Å; E351-T355 PolarHBondContact O-N 3.4Å; E351-T355 VanDerWaalsContact O-N 3.12Å; E351-T355 PolarHBondContact O-OG1 3.48Å; H352-T355 WeakPolarHBondContact O-CB 3.48Å; H352-T355 PolarHBondContact O-N 2.84Å; H352-T355 VanDerWaalsContact O-N 3.17Å; F353-T355 VanDerWaalsContact C-N 3.3Å; F353-T355 PolarHBondContact O-N 3.14Å; T355-V358 PolarHBondContact O-N 3.02Å; T355-I359 HydrophobicContact CG2-CD1 4.01Å; T355-I359 WeakPolarHBondContact O-CG1 3.44Å; T355-I359 PolarHBondContact O-N 2.73Å; T355-L415 HydrophobicContact CG2-CD1 4.11Å; T355-W422 HydrophobicContact CG2-CH2 4.06Å; T355-W422 WeakPolarHBondContact OG1-CH2 3.46Å
356	D	86	Confident	84.8	Confident	66 Å²	66	66.4 Å²	66.4	35%	0.353	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-40.4	176.6	-79.6	-12.4	0	0	0	112.1	H352 F353 V358 I359 A360	H352-D356 IonicContact CE1-OD2 3.87Å; H352-D356 PolarHBondContact CE1-OD2 3.44Å; H352-D356 IonicContact ND1-OD2 2.64Å; H352-D356 IonicContact NE2-OD2 3.53Å; H352-D356 PolarHBondContact O-N 3.29Å; F353-D356 PolarHBondContact O-N 3.38Å; D356-V358 PolarHBondContact O-N 3.1Å; D356-I359 PolarHBondContact O-N 3.27Å; D356-A360 VanDerWaalsContact O-CB 3.3Å; D356-A360 WeakPolarHBondContact O-CB 2.94Å; D356-A360 PolarHBondContact O-N 3.2Å
357	I	87.2	Confident	84.6	Confident	65 Å²	65	65.7 Å²	65.7	33%	0.333	34%	0.341	S	S	.	.	H	α-helix	trans	-58.7	-49.1	173	-72.3	166.6	0	0	0	110.4	F353 E354 I359 A360 V361	F353-I357 HydrophobicContact CD1-CD1 3.57Å; F353-I357 HydrophobicContact CD1-CG1 4.46Å; F353-I357 HydrophobicContact CE1-CD1 3.14Å; F353-I357 HydrophobicContact CE1-CG1 4.16Å; F353-I357 HydrophobicContact CE2-CD1 4.16Å; F353-I357 HydrophobicContact CE2-CG1 4.36Å; F353-I357 HydrophobicContact CG-CD1 4.26Å; F353-I357 HydrophobicContact CZ-CD1 3.47Å; F353-I357 VanDerWaalsContact CZ-CD1 3.47Å; F353-I357 HydrophobicContact CZ-CG1 4.09Å; F353-I357 WeakPolarHBondContact O-CG1 3.22Å; F353-I357 PolarHBondContact O-N 2.75Å; E354-I357 PolarHBondContact O-N 3.06Å; I357-I359 VanDerWaalsContact C-N 3.3Å; I357-I359 PolarHBondContact O-N 2.98Å; I357-A360 PolarHBondContact O-N 3.48Å; I357-V361 HydrophobicContact CG2-CG2 4.17Å; I357-V361 WeakPolarHBondContact O-CB 3.39Å; I357-V361 VanDerWaalsContact O-CG2 3.28Å; I357-V361 WeakPolarHBondContact O-CG2 3.46Å; I357-V361 PolarHBondContact O-N 3.47Å
358	V	84.3	Confident	84.2	Confident	36 Å²	36	65.4 Å²	65.4	22%	0.218	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-41.2	-178.5	171.3	0	0	0	0	110.9	E354 T355 D356 N362 W411	E354-V358 VanDerWaalsContact O-CG2 3.31Å; E354-V358 WeakPolarHBondContact O-CG2 3.24Å; E354-V358 PolarHBondContact O-N 3.01Å; T355-V358 PolarHBondContact O-N 3.02Å; D356-V358 PolarHBondContact O-N 3.1Å; V358-N362 WeakPolarHBondContact O-CB 3.46Å; V358-N362 PolarHBondContact O-N 2.8Å; V358-N362 PolarHBondContact O-ND2 3.02Å; V358-W411 HydrophobicContact CG1-CD2 4.01Å; V358-W411 HydrophobicContact CG1-CG 4.47Å; V358-W411 HydrophobicContact CG1-CH2 4.29Å; V358-W411 HydrophobicContact CG1-CZ2 3.75Å
359	I	83.9	Confident	83.5	Confident	23 Å²	23	68.1 Å²	68.1	12%	0.118	36%	0.361	C	S	.	.	H	α-helix	trans	-65	-45.7	176	-68	170.5	0	0	0	110.8	T355 D356 I357 V361 N362 R363 W411 L415	T355-I359 HydrophobicContact CG2-CD1 4.01Å; T355-I359 WeakPolarHBondContact O-CG1 3.44Å; T355-I359 PolarHBondContact O-N 2.73Å; D356-I359 PolarHBondContact O-N 3.27Å; I357-I359 VanDerWaalsContact C-N 3.3Å; I357-I359 PolarHBondContact O-N 2.98Å; I359-V361 PolarHBondContact O-N 3.45Å; I359-N362 PolarHBondContact O-N 2.74Å; I359-R363 VanDerWaalsContact O-CB 3.27Å; I359-R363 WeakPolarHBondContact O-CB 3.43Å; I359-R363 PolarHBondContact O-N 2.95Å; I359-W411 HydrophobicContact CG1-CB 4.26Å; I359-L415 HydrophobicContact CD1-CB 4.38Å; I359-L415 HydrophobicContact CD1-CD1 4.3Å; I359-L415 HydrophobicContact CD1-CD2 3.82Å; I359-L415 HydrophobicContact CD1-CG 4.39Å
360	A	85	Confident	82.9	Confident	58 Å²	58	67 Å²	67	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-42.3	179.4	0	0	0	0	0	112.2	D356 I357 R363 C364	D356-A360 VanDerWaalsContact O-CB 3.3Å; D356-A360 WeakPolarHBondContact O-CB 2.94Å; D356-A360 PolarHBondContact O-N 3.2Å; I357-A360 PolarHBondContact O-N 3.48Å; A360-R363 PolarHBondContact O-N 2.86Å; A360-C364 WeakPolarHBondContact O-CB 3.01Å; A360-C364 PolarHBondContact O-N 3.19Å
361	V	84.7	Confident	82.3	Confident	86 Å²	86	67.7 Å²	67.7	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-46	176.3	172.3	0	0	0	0	110.9	I357 I359 R363 C364 L365	I357-V361 HydrophobicContact CG2-CG2 4.17Å; I357-V361 WeakPolarHBondContact O-CB 3.39Å; I357-V361 VanDerWaalsContact O-CG2 3.28Å; I357-V361 WeakPolarHBondContact O-CG2 3.46Å; I357-V361 PolarHBondContact O-N 3.47Å; I359-V361 PolarHBondContact O-N 3.45Å; V361-R363 VanDerWaalsContact C-N 3.32Å; V361-R363 PolarHBondContact O-N 3.48Å; V361-C364 PolarHBondContact O-N 2.74Å; V361-L365 WeakPolarHBondContact O-CB 3.48Å; V361-L365 PolarHBondContact O-N 3.3Å
362	N	82	Confident	81.5	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-39.8	177.3	-72.7	-22.8	0	0	0	111.9	V358 I359 L365 T366 W411	V358-N362 WeakPolarHBondContact O-CB 3.46Å; V358-N362 PolarHBondContact O-N 2.8Å; V358-N362 PolarHBondContact O-ND2 3.02Å; I359-N362 PolarHBondContact O-N 2.74Å; N362-L365 PolarHBondContact O-N 3.14Å; N362-T366 WeakPolarHBondContact O-CB 3.14Å; N362-T366 PolarHBondContact O-N 3.35Å; N362-T366 PolarHBondContact O-OG1 2.83Å; N362-W411 VanDerWaalsContact ND2-CD1 3.28Å
363	R	78.2	Confident	80.6	Confident	155 Å²	155	66.4 Å²	66.4	59%	0.585	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-51.2	175.1	179.2	-179.9	172.8	-176.4	-2.3	111.1	I359 A360 V361 L365 T366 E367	I359-R363 VanDerWaalsContact O-CB 3.27Å; I359-R363 WeakPolarHBondContact O-CB 3.43Å; I359-R363 PolarHBondContact O-N 2.95Å; A360-R363 PolarHBondContact O-N 2.86Å; V361-R363 VanDerWaalsContact C-N 3.32Å; V361-R363 PolarHBondContact O-N 3.48Å; R363-L365 VanDerWaalsContact C-N 3.31Å; R363-L365 PolarHBondContact O-N 3.32Å; R363-T366 PolarHBondContact O-N 2.91Å; R363-T366 VanDerWaalsContact O-N 3.11Å; R363-E367 HydrophobicContact CG-CG 4.39Å; R363-E367 IonicContact CZ-OE1 3.92Å; R363-E367 IonicContact NE-OE1 3.05Å; R363-E367 PolarHBondContact NE-OE1 3.29Å; R363-E367 IonicContact NH2-OE1 3.88Å; R363-E367 PolarHBondContact NH2-OE1 2.93Å; R363-E367 WeakPolarHBondContact O-CG 3.41Å; R363-E367 PolarHBondContact O-N 3.41Å
364	C	82.2	Confident	79.9	Confident	86 Å²	86	62.7 Å²	62.7	58%	0.581	36%	0.362	S	S	*	.	H	α-helix	trans	-58.6	-43.2	178.1	-176.6	0	0	0	0	111.6	A360 V361 T366 G368	A360-C364 WeakPolarHBondContact O-CB 3.01Å; A360-C364 PolarHBondContact O-N 3.19Å; V361-C364 PolarHBondContact O-N 2.74Å; C364-T366 PolarHBondContact O-N 2.99Å; C364-G368 PolarHBondContact O-N 2.88Å
365	L	79.5	Confident	78.9	Confident	85 Å²	85	64.6 Å²	64.6	45%	0.445	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.5	-177.4	61.5	0	0	0	111.7	V361 N362 R363 L369 L404	V361-L365 WeakPolarHBondContact O-CB 3.48Å; V361-L365 PolarHBondContact O-N 3.3Å; N362-L365 PolarHBondContact O-N 3.14Å; R363-L365 VanDerWaalsContact C-N 3.31Å; R363-L365 PolarHBondContact O-N 3.32Å; L365-L369 HydrophobicContact CD1-CD1 4.08Å; L365-L369 HydrophobicContact CD1-CG 4.18Å; L365-L369 HydrophobicContact CG-CD1 3.96Å; L365-L369 HydrophobicContact CG-CG 4.46Å; L365-L369 VanDerWaalsContact O-CB 3.31Å; L365-L369 WeakPolarHBondContact O-CB 2.89Å; L365-L369 WeakPolarHBondContact O-CG 3.03Å; L365-L369 PolarHBondContact O-N 3.08Å; L365-L404 HydrophobicContact CB-CD2 4.14Å; L365-L404 HydrophobicContact CD2-CD1 3.64Å; L365-L404 HydrophobicContact CD2-CD2 3.62Å; L365-L404 HydrophobicContact CD2-CG 4.29Å; L365-L404 HydrophobicContact CG-CD2 3.62Å
366	T	75.6	Confident	77.9	Confident	22 Å²	22	65.7 Å²	65.7	14%	0.135	38%	0.378	C	S	.	.	H	α-helix	trans	-67.2	-46.7	178	-55.1	0	0	0	0	111.5	N362 R363 C364 G368 L369 L370	N362-T366 WeakPolarHBondContact O-CB 3.14Å; N362-T366 PolarHBondContact O-N 3.35Å; N362-T366 PolarHBondContact O-OG1 2.83Å; R363-T366 PolarHBondContact O-N 2.91Å; R363-T366 VanDerWaalsContact O-N 3.11Å; C364-T366 PolarHBondContact O-N 2.99Å; T366-G368 VanDerWaalsContact C-N 3.34Å; T366-G368 PolarHBondContact O-N 2.91Å; T366-L369 PolarHBondContact O-N 3.41Å; T366-L370 HydrophobicContact CG2-CD1 3.99Å; T366-L370 HydrophobicContact CG2-CG 4.39Å; T366-L370 WeakPolarHBondContact O-CB 3.2Å; T366-L370 VanDerWaalsContact O-CG 3.25Å; T366-L370 WeakPolarHBondContact O-CG 3.5Å; T366-L370 PolarHBondContact O-N 2.99Å
367	E	79.8	Confident	76.9	Confident	100 Å²	100	69.9 Å²	69.9	47%	0.467	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-41.9	175.8	-72.1	176.1	179	0	0	111.2	R363 L370 S371	R363-E367 HydrophobicContact CG-CG 4.39Å; R363-E367 IonicContact CZ-OE1 3.92Å; R363-E367 IonicContact NE-OE1 3.05Å; R363-E367 PolarHBondContact NE-OE1 3.29Å; R363-E367 IonicContact NH2-OE1 3.88Å; R363-E367 PolarHBondContact NH2-OE1 2.93Å; R363-E367 WeakPolarHBondContact O-CG 3.41Å; R363-E367 PolarHBondContact O-N 3.41Å; E367-L370 PolarHBondContact O-N 3.47Å; E367-S371 VanDerWaalsContact O-CB 3.3Å; E367-S371 WeakPolarHBondContact O-CB 3.25Å; E367-S371 PolarHBondContact O-N 3.06Å
368	G	78.8	Confident	75.8	Confident	43 Å²	43	75.7 Å²	75.7	44%	0.443	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-44.1	175.2	0	0	0	0	0	112.9	C364 T366 S371 A372	C364-G368 PolarHBondContact O-N 2.88Å; T366-G368 VanDerWaalsContact C-N 3.34Å; T366-G368 PolarHBondContact O-N 2.91Å; G368-S371 PolarHBondContact O-N 2.98Å; G368-A372 WeakPolarHBondContact O-CB 3.31Å; G368-A372 PolarHBondContact O-N 3.45Å
369	L	72.8	Confident	74.6	Confident	69 Å²	69	77.5 Å²	77.5	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-68.7	-38.6	177.1	-72.8	172.2	0	0	0	112.4	L365 T366 A372 E373 L401 L404	L365-L369 HydrophobicContact CD1-CD1 4.08Å; L365-L369 HydrophobicContact CD1-CG 4.18Å; L365-L369 HydrophobicContact CG-CD1 3.96Å; L365-L369 HydrophobicContact CG-CG 4.46Å; L365-L369 VanDerWaalsContact O-CB 3.31Å; L365-L369 WeakPolarHBondContact O-CB 2.89Å; L365-L369 WeakPolarHBondContact O-CG 3.03Å; L365-L369 PolarHBondContact O-N 3.08Å; T366-L369 PolarHBondContact O-N 3.41Å; L369-A372 PolarHBondContact O-N 3.4Å; L369-E373 WeakPolarHBondContact O-CB 3.28Å; L369-E373 PolarHBondContact O-N 3.25Å; L369-L401 HydrophobicContact CB-CD1 3.83Å; L369-L401 HydrophobicContact CD1-CD1 3.79Å; L369-L401 HydrophobicContact CG-CD1 4.42Å; L369-L404 HydrophobicContact CD1-CD2 3.86Å
370	L	76.4	Confident	73.3	Confident	84 Å²	84	81 Å²	81	44%	0.44	43%	0.429	S	S	.	.	H	α-helix	trans	-67	-39.1	175	-73.4	172.3	0	0	0	111.7	T366 E367 E373 A374	T366-L370 HydrophobicContact CG2-CD1 3.99Å; T366-L370 HydrophobicContact CG2-CG 4.39Å; T366-L370 WeakPolarHBondContact O-CB 3.2Å; T366-L370 VanDerWaalsContact O-CG 3.25Å; T366-L370 WeakPolarHBondContact O-CG 3.5Å; T366-L370 PolarHBondContact O-N 2.99Å; E367-L370 PolarHBondContact O-N 3.47Å; L370-E373 PolarHBondContact O-N 3.39Å; L370-A374 WeakPolarHBondContact O-CB 3.34Å; L370-A374 PolarHBondContact O-N 3Å
371	S	76.7	Confident	72.1	Confident	78 Å²	78	86.3 Å²	86.3	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-63.6	-43.2	173.1	-175	0	0	0	0	111.4	E367 G368 A374 M375	E367-S371 VanDerWaalsContact O-CB 3.3Å; E367-S371 WeakPolarHBondContact O-CB 3.25Å; E367-S371 PolarHBondContact O-N 3.06Å; G368-S371 PolarHBondContact O-N 2.98Å; S371-A374 PolarHBondContact O-N 2.91Å; S371-M375 WeakPolarHBondContact O-CB 3.43Å; S371-M375 PolarHBondContact O-N 2.77Å
372	A	69.5	Low	70.7	Confident	48 Å²	48	90.5 Å²	90.5	40%	0.397	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-42.1	173.9	0	0	0	0	0	111.8	G368 L369 M375 V376	G368-A372 WeakPolarHBondContact O-CB 3.31Å; G368-A372 PolarHBondContact O-N 3.45Å; L369-A372 PolarHBondContact O-N 3.4Å; A372-M375 PolarHBondContact O-N 2.83Å; A372-V376 WeakPolarHBondContact O-CB 3.46Å; A372-V376 WeakPolarHBondContact O-CG2 3.45Å; A372-V376 PolarHBondContact O-N 3.39Å
373	E	69	Low	69	Low	60 Å²	60	97.2 Å²	97.2	28%	0.28	48%	0.481	S	S	.	.	H	α-helix	trans	-62.9	-42.7	175.6	-167.9	-170.5	175.9	0	0	111.5	L369 L370 V376 R377	L369-E373 WeakPolarHBondContact O-CB 3.28Å; L369-E373 PolarHBondContact O-N 3.25Å; L370-E373 PolarHBondContact O-N 3.39Å; E373-V376 PolarHBondContact O-N 3.29Å; E373-R377 WeakPolarHBondContact O-CG 3.25Å; E373-R377 PolarHBondContact O-N 2.68Å; E373-R377 IonicContact OE1-CZ 2.7Å; E373-R377 IonicContact OE1-NH1 3.61Å; E373-R377 PolarHBondContact OE1-NH1 3.49Å; E373-R377 IonicContact OE1-NH2 2.77Å; E373-R377 PolarHBondContact OE1-NH2 2.79Å; E373-R377 IonicContact OE2-NH1 3.59Å
374	A	72.7	Confident	67.4	Low	42 Å²	42	96.2 Å²	96.2	35%	0.347	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-41.6	175.7	0	0	0	0	0	112.1	L370 S371 V376 R377 R378	L370-A374 WeakPolarHBondContact O-CB 3.34Å; L370-A374 PolarHBondContact O-N 3Å; S371-A374 PolarHBondContact O-N 2.91Å; A374-V376 VanDerWaalsContact C-N 3.34Å; A374-R377 PolarHBondContact O-N 3.46Å; A374-R378 WeakPolarHBondContact O-CG 3.48Å; A374-R378 PolarHBondContact O-N 2.88Å
375	M	66.9	Low	65.9	Low	119 Å²	119	96.1 Å²	96.1	59%	0.586	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-42.7	174.1	-179	174.1	-91.2	0	0	110.9	S371 A372 R378 L379	S371-M375 WeakPolarHBondContact O-CB 3.43Å; S371-M375 PolarHBondContact O-N 2.77Å; A372-M375 PolarHBondContact O-N 2.83Å; M375-R378 PolarHBondContact O-N 3.29Å; M375-L379 HydrophobicContact CG-CD1 3.91Å; M375-L379 HydrophobicContact CG-CG 4.42Å; M375-L379 WeakPolarHBondContact O-CB 3.42Å; M375-L379 VanDerWaalsContact O-CG 3.31Å; M375-L379 WeakPolarHBondContact O-CG 3.37Å; M375-L379 PolarHBondContact O-N 3.05Å
376	V	64.3	Low	64.8	Low	32 Å²	32	98.5 Å²	98.5	19%	0.194	50%	0.504	C	S	.	.	H	α-helix	trans	-68.9	-38.2	178.3	171.1	0	0	0	0	111.4	A372 E373 A374 R378 L379 K380 L389	A372-V376 WeakPolarHBondContact O-CB 3.46Å; A372-V376 WeakPolarHBondContact O-CG2 3.45Å; A372-V376 PolarHBondContact O-N 3.39Å; E373-V376 PolarHBondContact O-N 3.29Å; A374-V376 VanDerWaalsContact C-N 3.34Å; V376-R378 VanDerWaalsContact C-N 3.34Å; V376-R378 PolarHBondContact O-N 3.22Å; V376-L379 PolarHBondContact O-N 3.03Å; V376-K380 HydrophobicContact CG1-CD 4.5Å; V376-K380 HydrophobicContact CG1-CG 4.44Å; V376-K380 WeakPolarHBondContact O-CB 3.49Å; V376-K380 WeakPolarHBondContact O-CG 3.5Å; V376-K380 PolarHBondContact O-N 3.03Å; V376-L389 HydrophobicContact CB-CD2 3.76Å; V376-L389 HydrophobicContact CG1-CD2 3.51Å; V376-L389 HydrophobicContact CG1-CG 4.29Å; V376-L389 HydrophobicContact CG2-CD2 3.15Å
377	R	66.5	Low	63.9	Low	154 Å²	154	102.1 Å²	102.1	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-60	-42.9	171.3	-79.4	-172.6	176.4	108	7.3	111.7	E373 A374 Q381	E373-R377 WeakPolarHBondContact O-CG 3.25Å; E373-R377 PolarHBondContact O-N 2.68Å; E373-R377 IonicContact OE1-CZ 2.7Å; E373-R377 IonicContact OE1-NH1 3.61Å; E373-R377 PolarHBondContact OE1-NH1 3.49Å; E373-R377 IonicContact OE1-NH2 2.77Å; E373-R377 PolarHBondContact OE1-NH2 2.79Å; E373-R377 IonicContact OE2-NH1 3.59Å; A374-R377 PolarHBondContact O-N 3.46Å; R377-Q381 PolarHBondContact O-N 2.89Å
378	R	62.7	Low	62.7	Low	187 Å²	187	98.6 Å²	98.6	71%	0.706	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-41.8	175.5	-75.4	179.6	-178.9	159.8	0.9	112.2	A374 M375 V376 Q381	A374-R378 WeakPolarHBondContact O-CG 3.48Å; A374-R378 PolarHBondContact O-N 2.88Å; M375-R378 PolarHBondContact O-N 3.29Å; V376-R378 VanDerWaalsContact C-N 3.34Å; V376-R378 PolarHBondContact O-N 3.22Å; R378-Q381 PolarHBondContact O-N 3.44Å
379	L	58.6	Low	61.6	Low	74 Å²	74	100.8 Å²	100.8	39%	0.387	51%	0.51	S	S	.	.	H	α-helix	trans	-70.9	-35.7	180	-70.5	170.6	0	0	0	112	M375 V376 Q381 K382 Y383 L385	M375-L379 HydrophobicContact CG-CD1 3.91Å; M375-L379 HydrophobicContact CG-CG 4.42Å; M375-L379 WeakPolarHBondContact O-CB 3.42Å; M375-L379 VanDerWaalsContact O-CG 3.31Å; M375-L379 WeakPolarHBondContact O-CG 3.37Å; M375-L379 PolarHBondContact O-N 3.05Å; V376-L379 PolarHBondContact O-N 3.03Å; L379-Q381 PolarHBondContact O-N 2.88Å; L379-K382 PolarHBondContact O-N 2.96Å; L379-Y383 PolarHBondContact O-N 3.44Å; L379-Y383 VanDerWaalsContact O-O 3.11Å; L379-L385 HydrophobicContact CB-CD1 3.47Å; L379-L385 VanDerWaalsContact CB-CD1 3.47Å; L379-L385 HydrophobicContact CD1-CD1 4.49Å; L379-L385 HydrophobicContact CG-CD1 4.48Å
380	K	58.3	Low	60.7	Low	96 Å²	96	105.3 Å²	105.3	42%	0.417	54%	0.535	S	S	.	.	H	α-helix	trans	-59	-26.4	171.6	-82.9	-173.1	175.1	-173.5	0	113.8	V376	V376-K380 HydrophobicContact CG1-CD 4.5Å; V376-K380 HydrophobicContact CG1-CG 4.44Å; V376-K380 WeakPolarHBondContact O-CB 3.49Å; V376-K380 WeakPolarHBondContact O-CG 3.5Å; V376-K380 PolarHBondContact O-N 3.03Å
381	Q	59.4	Low	59.9	Low	171 Å²	171	103.9 Å²	103.9	80%	0.799	53%	0.529	S	S	*	.	H	α-helix	trans	-79.4	-19.6	175.7	-72.8	179.1	-16.2	0	0	113.4	R377 R378 L379	R377-Q381 PolarHBondContact O-N 2.89Å; R378-Q381 PolarHBondContact O-N 3.44Å; L379-Q381 PolarHBondContact O-N 2.88Å
382	K	54.5	Low	58.9	Low	173 Å²	173	112.7 Å²	112.7	75%	0.752	55%	0.551	S	S	*	*	H	α-helix	trans	-108.4	-24.9	-179.7	-92	-175.8	172.4	-178.1	0	114.2	L379	L379-K382 PolarHBondContact O-N 2.96Å
383	Y	47.6	Very low	58.3	Low	164 Å²	164	112.2 Å²	112.2	64%	0.643	54%	0.544	S	S	*	.	S	Bend	trans	-145.6	138.1	-177.5	-63.6	-80.5	0	0	0	110	L379 L385	L379-Y383 PolarHBondContact O-N 3.44Å; L379-Y383 VanDerWaalsContact O-O 3.11Å; Y383-L385 VanDerWaalsContact C-N 3.26Å; Y383-L385 PolarHBondContact O-N 3.39Å
384	S	44.4	Very low	58	Low	133 Å²	133	111.2 Å²	111.2	93%	0.93	54%	0.542	S	S	*	.			trans	-64.8	84.7	172.7	162.9	0	0	0	0	109.7
385	L	51	Low	57.8	Low	85 Å²	85	113.5 Å²	113.5	45%	0.445	55%	0.552	S	S	.	*			trans	-93	125.6	174.3	-82.6	144.5	0	0	0	109.8	L379 Y383	L379-L385 HydrophobicContact CB-CD1 3.47Å; L379-L385 VanDerWaalsContact CB-CD1 3.47Å; L379-L385 HydrophobicContact CD1-CD1 4.49Å; L379-L385 HydrophobicContact CG-CD1 4.48Å; Y383-L385 VanDerWaalsContact C-N 3.26Å; Y383-L385 PolarHBondContact O-N 3.39Å
386	D	54.6	Low	57.9	Low	134 Å²	134	113 Å²	113	72%	0.717	55%	0.551	S	S	*	*			trans	-54.2	139.7	176.4	-162	-4.8	0	0	0	110.5	A388	D386-A388 PolarHBondContact O-N 3.46Å
387	I	56.9	Low	57.8	Low	99 Å²	99	113 Å²	113	51%	0.508	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	-17.6	-169.1	-55.4	175.1	0	0	0	110.8	L389 V394	I387-L389 VanDerWaalsContact C-N 3.34Å; I387-L389 PolarHBondContact O-N 3.23Å; I387-V394 HydrophobicContact CB-CG2 4.07Å; I387-V394 HydrophobicContact CG2-CB 4.42Å; I387-V394 HydrophobicContact CG2-CG1 3.91Å; I387-V394 HydrophobicContact CG2-CG2 3.61Å; I387-V394 WeakPolarHBondContact O-CG2 3.28Å
388	A	55.6	Low	57.8	Low	26 Å²	26	110.7 Å²	110.7	22%	0.215	55%	0.55	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65.8	-12.9	-173.1	0	0	0	0	0	116.9	D386 N390 T391	D386-A388 PolarHBondContact O-N 3.46Å; A388-N390 PolarHBondContact O-N 3.37Å; A388-T391 WeakPolarHBondContact CB-O 3.23Å; A388-T391 WeakPolarHBondContact O-CA 3.45Å; A388-T391 PolarHBondContact O-N 3.37Å; A388-T391 VanDerWaalsContact O-O 3.05Å; A388-T391 PolarHBondContact O-OG1 2.69Å
389	L	54.5	Low	58.2	Low	88 Å²	88	110 Å²	110	46%	0.461	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	34.3	174.3	-83.1	170.5	0	0	0	113.9	V376 I387 T391	V376-L389 HydrophobicContact CB-CD2 3.76Å; V376-L389 HydrophobicContact CG1-CD2 3.51Å; V376-L389 HydrophobicContact CG1-CG 4.29Å; V376-L389 HydrophobicContact CG2-CD2 3.15Å; I387-L389 VanDerWaalsContact C-N 3.34Å; I387-L389 PolarHBondContact O-N 3.23Å; L389-T391 PolarHBondContact O-N 3.37Å; L389-T391 VanDerWaalsContact O-N 3.11Å
390	N	55.7	Low	58.8	Low	165 Å²	165	109 Å²	109	88%	0.882	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.9	19.6	-172.7	-137	28.8	0	0	0	115.3	A388	A388-N390 PolarHBondContact O-N 3.37Å
391	T	58.2	Low	59.3	Low	53 Å²	53	106.2 Å²	106.2	33%	0.325	54%	0.54	S	S	.	.	S	Bend	trans	-106.3	145.5	169	66.4	0	0	0	0	108.9	A388 L389 S393 A397	A388-T391 WeakPolarHBondContact CB-O 3.23Å; A388-T391 WeakPolarHBondContact O-CA 3.45Å; A388-T391 PolarHBondContact O-N 3.37Å; A388-T391 VanDerWaalsContact O-O 3.05Å; A388-T391 PolarHBondContact O-OG1 2.69Å; L389-T391 PolarHBondContact O-N 3.37Å; L389-T391 VanDerWaalsContact O-N 3.11Å; T391-S393 PolarHBondContact O-N 3.01Å; T391-S393 PolarHBondContact OG1-O 3.39Å; T391-A397 HydrophobicContact CG2-CB 4.5Å
392	R	55.9	Low	60	Low	263 Å²	263	106 Å²	106	99%	0.992	53%	0.531	S	S	*	.	S	Bend	trans	-62.3	-11.6	176.5	-67.1	-177.4	-177.5	178.3	-1	113.3
393	S	57.4	Low	61	Low	38 Å²	38	102.1 Å²	102.1	27%	0.266	52%	0.517	S	S	.	.			trans	-157	125.3	177.2	176.9	0	0	0	0	112.7	T391 T395 I396	T391-S393 PolarHBondContact O-N 3.01Å; T391-S393 PolarHBondContact OG1-O 3.39Å; S393-T395 PolarHBondContact O-N 3.07Å; S393-T395 VanDerWaalsContact O-N 3.15Å; S393-T395 PolarHBondContact OG-N 3.29Å; S393-T395 PolarHBondContact OG-OG1 3.35Å; S393-I396 PolarHBondContact O-N 2.84Å; S393-I396 VanDerWaalsContact O-N 3.11Å
394	V	62.8	Low	62.3	Low	39 Å²	39	95.4 Å²	95.4	24%	0.236	49%	0.492	C	S	.	.	H	α-helix	trans	-52	-34	171.3	-171.8	0	0	0	0	112.1	I387 I396 A397 Q398	I387-V394 HydrophobicContact CB-CG2 4.07Å; I387-V394 HydrophobicContact CG2-CB 4.42Å; I387-V394 HydrophobicContact CG2-CG1 3.91Å; I387-V394 HydrophobicContact CG2-CG2 3.61Å; I387-V394 WeakPolarHBondContact O-CG2 3.28Å; V394-I396 VanDerWaalsContact C-N 3.3Å; V394-I396 PolarHBondContact O-N 3.04Å; V394-A397 PolarHBondContact O-N 3.06Å; V394-Q398 HydrophobicContact CG1-CG 4.39Å; V394-Q398 WeakPolarHBondContact O-CG 3.24Å; V394-Q398 PolarHBondContact O-N 3.34Å; V394-Q398 VanDerWaalsContact O-N 3.12Å
395	T	68.6	Low	63.8	Low	91 Å²	91	93.5 Å²	93.5	56%	0.558	47%	0.47	S	S	*	.	H	α-helix	trans	-69.7	-28.9	-176	64.8	0	0	0	0	112.2	S393 R399	S393-T395 PolarHBondContact O-N 3.07Å; S393-T395 VanDerWaalsContact O-N 3.15Å; S393-T395 PolarHBondContact OG-N 3.29Å; S393-T395 PolarHBondContact OG-OG1 3.35Å; T395-R399 WeakPolarHBondContact O-CB 3.21Å; T395-R399 PolarHBondContact O-N 2.72Å
396	I	67.9	Low	65.2	Low	108 Å²	108	95.3 Å²	95.3	55%	0.554	48%	0.476	S	S	*	.	H	α-helix	trans	-70.9	-47.4	178.9	-62.2	173.2	0	0	0	109.7	S393 V394 R399 A400	S393-I396 PolarHBondContact O-N 2.84Å; S393-I396 VanDerWaalsContact O-N 3.11Å; V394-I396 VanDerWaalsContact C-N 3.3Å; V394-I396 PolarHBondContact O-N 3.04Å; I396-R399 PolarHBondContact O-N 3.07Å; I396-A400 VanDerWaalsContact O-CB 3.25Å; I396-A400 WeakPolarHBondContact O-CB 3.2Å; I396-A400 PolarHBondContact O-N 3.18Å
397	A	62.7	Low	66.3	Low	32 Å²	32	94.5 Å²	94.5	26%	0.264	47%	0.466	S	S	.	.	H	α-helix	trans	-62.1	-45.5	177.9	0	0	0	0	0	111.7	T391 V394 R399 A400 L401	T391-A397 HydrophobicContact CG2-CB 4.5Å; V394-A397 PolarHBondContact O-N 3.06Å; A397-R399 PolarHBondContact O-N 3.12Å; A397-A400 PolarHBondContact O-N 3.24Å; A397-L401 WeakPolarHBondContact O-CB 3.34Å; A397-L401 PolarHBondContact O-N 3.19Å
398	Q	67.1	Low	67.3	Low	106 Å²	106	91.2 Å²	91.2	50%	0.495	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-36.6	177.1	-71.8	179.6	-10.5	0	0	113.1	V394 R402	V394-Q398 HydrophobicContact CG1-CG 4.39Å; V394-Q398 WeakPolarHBondContact O-CG 3.24Å; V394-Q398 PolarHBondContact O-N 3.34Å; V394-Q398 VanDerWaalsContact O-N 3.12Å; Q398-R402 WeakPolarHBondContact O-CB 3.4Å; Q398-R402 WeakPolarHBondContact O-CG 3.46Å; Q398-R402 PolarHBondContact O-N 3.36Å; Q398-R402 VanDerWaalsContact O-N 3.1Å; Q398-R402 PolarHBondContact O-NE 3.45Å
399	R	71.6	Confident	68.5	Low	172 Å²	172	94.2 Å²	94.2	65%	0.649	46%	0.462	S	S	*	.	H	α-helix	trans	-69.8	-42.9	175.2	-174.9	175.4	-175.8	163.7	1.8	110.9	T395 I396 A397 R402 M403	T395-R399 WeakPolarHBondContact O-CB 3.21Å; T395-R399 PolarHBondContact O-N 2.72Å; I396-R399 PolarHBondContact O-N 3.07Å; A397-R399 PolarHBondContact O-N 3.12Å; R399-R402 PolarHBondContact O-N 3.42Å; R399-M403 HydrophobicContact CG-CG 4.4Å; R399-M403 HydrophobicContact CG-SD 4.07Å; R399-M403 WeakPolarHBondContact O-CB 3.44Å; R399-M403 VanDerWaalsContact O-CG 3.27Å; R399-M403 WeakPolarHBondContact O-CG 3.48Å; R399-M403 PolarHBondContact O-N 3.01Å
400	A	69.8	Low	69.8	Low	54 Å²	54	93 Å²	93	45%	0.446	46%	0.456	S	S	.	.	H	α-helix	trans	-60.4	-44.9	176.5	0	0	0	0	0	111.4	I396 A397 M403 L404	I396-A400 VanDerWaalsContact O-CB 3.25Å; I396-A400 WeakPolarHBondContact O-CB 3.2Å; I396-A400 PolarHBondContact O-N 3.18Å; A397-A400 PolarHBondContact O-N 3.24Å; A400-M403 PolarHBondContact O-N 2.99Å; A400-L404 WeakPolarHBondContact O-CB 3.24Å; A400-L404 PolarHBondContact O-N 3.38Å
401	L	69.8	Low	70.9	Confident	37 Å²	37	88.3 Å²	88.3	19%	0.194	43%	0.426	C	S	.	.	H	α-helix	trans	-62.4	-47	176.7	-168.2	74	0	0	0	111.7	L369 A397 M403 L404 M405	L369-L401 HydrophobicContact CB-CD1 3.83Å; L369-L401 HydrophobicContact CD1-CD1 3.79Å; L369-L401 HydrophobicContact CG-CD1 4.42Å; A397-L401 WeakPolarHBondContact O-CB 3.34Å; A397-L401 PolarHBondContact O-N 3.19Å; L401-M403 PolarHBondContact O-N 3.34Å; L401-L404 PolarHBondContact O-N 3.03Å; L401-M405 HydrophobicContact CG-SD 4.32Å; L401-M405 WeakPolarHBondContact O-CG 3.4Å; L401-M405 PolarHBondContact O-N 2.91Å
402	R	73.6	Confident	71.9	Confident	166 Å²	166	89.3 Å²	89.3	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-60.4	-43.3	175.9	-79.5	-173.6	-75.5	169.4	-7.7	112.4	Q398 R399 L404 M405 Q406	Q398-R402 WeakPolarHBondContact O-CB 3.4Å; Q398-R402 WeakPolarHBondContact O-CG 3.46Å; Q398-R402 PolarHBondContact O-N 3.36Å; Q398-R402 VanDerWaalsContact O-N 3.1Å; Q398-R402 PolarHBondContact O-NE 3.45Å; R399-R402 PolarHBondContact O-N 3.42Å; R402-L404 VanDerWaalsContact C-N 3.33Å; R402-M405 PolarHBondContact O-N 2.87Å; R402-Q406 VanDerWaalsContact O-CB 3.31Å; R402-Q406 WeakPolarHBondContact O-CB 3.45Å; R402-Q406 PolarHBondContact O-N 3.43Å
403	M	76.1	Confident	73.2	Confident	92 Å²	92	82.1 Å²	82.1	45%	0.453	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-37.2	176.1	-73.4	-178.8	69.9	0	0	112	R399 A400 L401 K407	R399-M403 HydrophobicContact CG-CG 4.4Å; R399-M403 HydrophobicContact CG-SD 4.07Å; R399-M403 WeakPolarHBondContact O-CB 3.44Å; R399-M403 VanDerWaalsContact O-CG 3.27Å; R399-M403 WeakPolarHBondContact O-CG 3.48Å; R399-M403 PolarHBondContact O-N 3.01Å; A400-M403 PolarHBondContact O-N 2.99Å; L401-M403 PolarHBondContact O-N 3.34Å; M403-K407 VanDerWaalsContact O-CB 3.3Å; M403-K407 WeakPolarHBondContact O-CB 3.31Å; M403-K407 WeakPolarHBondContact O-CG 3.26Å; M403-K407 PolarHBondContact O-N 2.97Å
404	L	74.5	Confident	74.5	Confident	22 Å²	22	84 Å²	84	12%	0.115	41%	0.41	C	S	.	.	H	α-helix	trans	-68	-44.6	177.5	-167.9	76.7	0	0	0	111.3	L365 L369 A400 L401 R402 K407 N408	L365-L404 HydrophobicContact CB-CD2 4.14Å; L365-L404 HydrophobicContact CD2-CD1 3.64Å; L365-L404 HydrophobicContact CD2-CD2 3.62Å; L365-L404 HydrophobicContact CD2-CG 4.29Å; L365-L404 HydrophobicContact CG-CD2 3.62Å; L369-L404 HydrophobicContact CD1-CD2 3.86Å; A400-L404 WeakPolarHBondContact O-CB 3.24Å; A400-L404 PolarHBondContact O-N 3.38Å; L401-L404 PolarHBondContact O-N 3.03Å; R402-L404 VanDerWaalsContact C-N 3.33Å; L404-K407 PolarHBondContact O-N 3.42Å; L404-N408 VanDerWaalsContact O-CB 3.31Å; L404-N408 WeakPolarHBondContact O-CB 3.21Å; L404-N408 PolarHBondContact O-N 3.16Å
405	M	76.1	Confident	75.5	Confident	94 Å²	94	83.2 Å²	83.2	46%	0.463	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-45.4	175.9	-69	178.1	74	0	0	111.5	L401 R402 K407 N408 D409	L401-M405 HydrophobicContact CG-SD 4.32Å; L401-M405 WeakPolarHBondContact O-CG 3.4Å; L401-M405 PolarHBondContact O-N 2.91Å; R402-M405 PolarHBondContact O-N 2.87Å; M405-K407 PolarHBondContact O-N 2.89Å; M405-N408 WeakPolarHBondContact O-CB 3.32Å; M405-N408 PolarHBondContact O-N 3.4Å; M405-D409 PolarHBondContact O-N 3.18Å
406	Q	79.3	Confident	76.2	Confident	123 Å²	123	87.4 Å²	87.4	58%	0.575	41%	0.41	S	S	*	.	H	α-helix	trans	-60.6	-46.1	175.5	-176.2	175.5	9.9	0	0	111.6	R402 N408 D409 D410	R402-Q406 VanDerWaalsContact O-CB 3.31Å; R402-Q406 WeakPolarHBondContact O-CB 3.45Å; R402-Q406 PolarHBondContact O-N 3.43Å; Q406-N408 VanDerWaalsContact C-N 3.31Å; Q406-N408 PolarHBondContact O-N 2.91Å; Q406-D409 PolarHBondContact O-N 3.4Å; Q406-D410 VanDerWaalsContact O-CG 3.27Å; Q406-D410 PolarHBondContact O-N 3.2Å
407	K	78.5	Confident	77	Confident	117 Å²	117	90.3 Å²	90.3	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-60.7	-41.1	174.5	-82.1	-173.5	174.8	-176.3	0	111.6	M403 L404 M405 D409 D410 W411	M403-K407 VanDerWaalsContact O-CB 3.3Å; M403-K407 WeakPolarHBondContact O-CB 3.31Å; M403-K407 WeakPolarHBondContact O-CG 3.26Å; M403-K407 PolarHBondContact O-N 2.97Å; L404-K407 PolarHBondContact O-N 3.42Å; M405-K407 PolarHBondContact O-N 2.89Å; K407-D409 VanDerWaalsContact C-N 3.34Å; K407-D409 PolarHBondContact O-N 3.32Å; K407-D410 PolarHBondContact O-N 3.05Å; K407-W411 PolarHBondContact O-N 3.3Å
408	N	78	Confident	78.1	Confident	30 Å²	30	90.2 Å²	90.2	16%	0.16	41%	0.408	C	S	.	.	H	α-helix	trans	-59.3	-46.2	177	-173.8	65.8	0	0	0	110.8	L404 M405 Q406 D410 W411 H412	L404-N408 VanDerWaalsContact O-CB 3.31Å; L404-N408 WeakPolarHBondContact O-CB 3.21Å; L404-N408 PolarHBondContact O-N 3.16Å; M405-N408 WeakPolarHBondContact O-CB 3.32Å; M405-N408 PolarHBondContact O-N 3.4Å; Q406-N408 VanDerWaalsContact C-N 3.31Å; Q406-N408 PolarHBondContact O-N 2.91Å; N408-D410 VanDerWaalsContact C-N 3.34Å; N408-D410 PolarHBondContact O-N 3.47Å; N408-W411 PolarHBondContact O-N 3.48Å; N408-H412 PolarHBondContact ND2-CE1 3.02Å; N408-H412 PolarHBondContact O-N 2.71Å; N408-H412 PolarHBondContact O-ND1 3.03Å; N408-H412 PolarHBondContact OD1-CE1 3.41Å; N408-H412 VanDerWaalsContact OD1-CE1 3.29Å
409	D	79.6	Confident	79.1	Confident	88 Å²	88	89.8 Å²	89.8	47%	0.471	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-39.9	176.2	-70.2	-18	0	0	0	112.4	M405 Q406 K407 H412 K413	M405-D409 PolarHBondContact O-N 3.18Å; Q406-D409 PolarHBondContact O-N 3.4Å; K407-D409 VanDerWaalsContact C-N 3.34Å; K407-D409 PolarHBondContact O-N 3.32Å; D409-H412 PolarHBondContact O-N 3.42Å; D409-K413 WeakPolarHBondContact O-CG 3.5Å; D409-K413 PolarHBondContact O-N 2.85Å
410	D	82.9	Confident	79.9	Confident	63 Å²	63	84.7 Å²	84.7	34%	0.337	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-39.9	176.8	-68.2	-19.9	0	0	0	111.6	Q406 K407 N408 H412 K413 N414	Q406-D410 VanDerWaalsContact O-CG 3.27Å; Q406-D410 PolarHBondContact O-N 3.2Å; K407-D410 PolarHBondContact O-N 3.05Å; N408-D410 VanDerWaalsContact C-N 3.34Å; N408-D410 PolarHBondContact O-N 3.47Å; D410-H412 PolarHBondContact O-N 3.04Å; D410-K413 PolarHBondContact O-N 2.81Å; D410-K413 IonicContact OD1-NZ 2.67Å; D410-K413 PolarHBondContact OD1-NZ 2.94Å; D410-N414 WeakPolarHBondContact O-CB 3Å; D410-N414 VanDerWaalsContact O-CG 3.25Å; D410-N414 PolarHBondContact O-N 2.89Å; D410-N414 PolarHBondContact O-ND2 2.9Å
411	W	78.5	Confident	80.6	Confident	67 Å²	67	86.5 Å²	86.5	25%	0.254	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-40.5	171.9	-75.3	115.7	0	0	0	112	V358 I359 N362 K407 N408 N414 L415	V358-W411 HydrophobicContact CG1-CD2 4.01Å; V358-W411 HydrophobicContact CG1-CG 4.47Å; V358-W411 HydrophobicContact CG1-CH2 4.29Å; V358-W411 HydrophobicContact CG1-CZ2 3.75Å; I359-W411 HydrophobicContact CG1-CB 4.26Å; N362-W411 VanDerWaalsContact ND2-CD1 3.28Å; K407-W411 PolarHBondContact O-N 3.3Å; N408-W411 PolarHBondContact O-N 3.48Å; W411-N414 PolarHBondContact O-N 3.47Å; W411-L415 WeakPolarHBondContact O-CB 3.21Å; W411-L415 PolarHBondContact O-N 3.21Å
412	H	79	Confident	81.4	Confident	74 Å²	74	85.9 Å²	85.9	34%	0.343	39%	0.389	S	S	.	.	H	α-helix	trans	-69	-33.9	176.4	-74.6	79.8	0	0	0	112.9	N408 D409 D410 R416	N408-H412 PolarHBondContact ND2-CE1 3.02Å; N408-H412 PolarHBondContact O-N 2.71Å; N408-H412 PolarHBondContact O-ND1 3.03Å; N408-H412 PolarHBondContact OD1-CE1 3.41Å; N408-H412 VanDerWaalsContact OD1-CE1 3.29Å; D409-H412 PolarHBondContact O-N 3.42Å; D410-H412 PolarHBondContact O-N 3.04Å; H412-R416 PolarHBondContact O-N 2.94Å; H412-R416 PolarHBondContact O-NE 3.37Å
413	K	84	Confident	82.1	Confident	112 Å²	112	83.8 Å²	83.8	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-68.2	-44.6	171.6	-70.6	169.1	-165.8	160.5	0	111.2	D409 D410 R416 R417	D409-K413 WeakPolarHBondContact O-CG 3.5Å; D409-K413 PolarHBondContact O-N 2.85Å; D410-K413 PolarHBondContact O-N 2.81Å; D410-K413 IonicContact OD1-NZ 2.67Å; D410-K413 PolarHBondContact OD1-NZ 2.94Å; K413-R416 WeakPolarHBondContact O-CB 3.06Å; K413-R416 PolarHBondContact O-N 2.84Å; K413-R417 PolarHBondContact O-N 3.35Å
414	N	83.3	Confident	82.5	Confident	77 Å²	77	85.2 Å²	85.2	41%	0.412	39%	0.392	S	S	.	.	H	α-helix	trans	-62.7	-43	177.1	-74	-19	0	0	0	111.3	D410 W411 R416 R417 M418	D410-N414 WeakPolarHBondContact O-CB 3Å; D410-N414 VanDerWaalsContact O-CG 3.25Å; D410-N414 PolarHBondContact O-N 2.89Å; D410-N414 PolarHBondContact O-ND2 2.9Å; W411-N414 PolarHBondContact O-N 3.47Å; N414-R416 VanDerWaalsContact C-N 3.29Å; N414-R416 PolarHBondContact O-N 2.87Å; N414-R417 CarbonylContact O-C 3.55Å; N414-R417 WeakPolarHBondContact O-CA 3.39Å; N414-R417 WeakPolarHBondContact O-CB 3.45Å; N414-R417 PolarHBondContact O-N 3.2Å; N414-M418 HydrophobicContact CB-SD 4.44Å; N414-M418 VanDerWaalsContact O-CG 3.27Å; N414-M418 WeakPolarHBondContact O-CG 3.11Å; N414-M418 PolarHBondContact O-N 3.46Å
415	L	84.4	Confident	82.9	Confident	22 Å²	22	88 Å²	88	12%	0.115	41%	0.406	C	S	.	.	H	α-helix	trans	-57.9	-41	176.3	-173.7	69	0	0	0	112	T355 I359 W411 R417 M418 K419 W422	T355-L415 HydrophobicContact CG2-CD1 4.11Å; I359-L415 HydrophobicContact CD1-CB 4.38Å; I359-L415 HydrophobicContact CD1-CD1 4.3Å; I359-L415 HydrophobicContact CD1-CD2 3.82Å; I359-L415 HydrophobicContact CD1-CG 4.39Å; W411-L415 WeakPolarHBondContact O-CB 3.21Å; W411-L415 PolarHBondContact O-N 3.21Å; L415-R417 PolarHBondContact O-N 2.91Å; L415-M418 PolarHBondContact O-N 2.8Å; L415-K419 HydrophobicContact CD1-CD 4.48Å; L415-K419 HydrophobicContact CD1-CG 4.13Å; L415-K419 HydrophobicContact CG-CD 4.17Å; L415-K419 HydrophobicContact CG-CG 4.2Å; L415-K419 WeakPolarHBondContact O-CB 3.36Å; L415-K419 WeakPolarHBondContact O-CG 3.3Å; L415-K419 PolarHBondContact O-N 3.19Å; L415-W422 HydrophobicContact CD1-CH2 4.48Å; L415-W422 HydrophobicContact CD1-CZ3 3.93Å
416	R	83.6	Confident	83.3	Confident	180 Å²	180	86.8 Å²	86.8	68%	0.679	40%	0.401	S	S	*	.	H	α-helix	trans	-61.8	-31.7	175.3	-78.7	-177.5	-86.8	-158.4	-3.2	113.1	H412 K413 N414 P420	H412-R416 PolarHBondContact O-N 2.94Å; H412-R416 PolarHBondContact O-NE 3.37Å; K413-R416 WeakPolarHBondContact O-CB 3.06Å; K413-R416 PolarHBondContact O-N 2.84Å; N414-R416 VanDerWaalsContact C-N 3.29Å; N414-R416 PolarHBondContact O-N 2.87Å; R416-P420 VanDerWaalsContact O-CD 3.28Å; R416-P420 WeakPolarHBondContact O-CD 3.45Å
417	R	85	Confident	83.4	Confident	169 Å²	169	85.4 Å²	85.4	64%	0.638	40%	0.396	S	S	*	.	H	α-helix	trans	-80.2	-38.4	175.2	-174.7	-178.7	173.5	179.1	-1.2	112.3	K413 N414 L415 P420 M421	K413-R417 PolarHBondContact O-N 3.35Å; N414-R417 CarbonylContact O-C 3.55Å; N414-R417 WeakPolarHBondContact O-CA 3.39Å; N414-R417 WeakPolarHBondContact O-CB 3.45Å; N414-R417 PolarHBondContact O-N 3.2Å; L415-R417 PolarHBondContact O-N 2.91Å; R417-P420 WeakPolarHBondContact O-CD 3.46Å; R417-P420 WeakPolarHBondContact O-CG 3.48Å; R417-M421 HydrophobicContact CG-CE 4.2Å; R417-M421 WeakPolarHBondContact O-CE 3.47Å
418	M	85.6	Confident	83.5	Confident	29 Å²	29	83.8 Å²	83.8	14%	0.143	39%	0.393	C	S	.	.	H	α-helix	trans	-77.8	-38.3	-173.8	-66.9	174.5	84.2	0	0	113.1	N414 L415 M421 W422	N414-M418 HydrophobicContact CB-SD 4.44Å; N414-M418 VanDerWaalsContact O-CG 3.27Å; N414-M418 WeakPolarHBondContact O-CG 3.11Å; N414-M418 PolarHBondContact O-N 3.46Å; L415-M418 PolarHBondContact O-N 2.8Å; M418-M421 HydrophobicContact CB-CE 4.4Å; M418-M421 HydrophobicContact CG-CE 4.07Å; M418-M421 WeakPolarHBondContact O-CB 3.5Å; M418-M421 PolarHBondContact O-N 3.23Å; M418-W422 HydrophobicContact CB-CD2 4.08Å; M418-W422 HydrophobicContact CB-CE3 4Å; M418-W422 HydrophobicContact CB-CH2 3.87Å; M418-W422 HydrophobicContact CB-CZ2 3.97Å; M418-W422 HydrophobicContact CB-CZ3 3.88Å; M418-W422 HydrophobicContact CE-CH2 3.82Å; M418-W422 HydrophobicContact CE-CZ2 3.19Å; M418-W422 PolarHBondContact O-N 2.86Å; M418-W422 HydrophobicContact SD-CH2 4.17Å; M418-W422 HydrophobicContact SD-CZ2 4.12Å
419	K	87	Confident	83.8	Confident	98 Å²	98	82.8 Å²	82.8	43%	0.426	39%	0.389	S	S	.	.	H	α-helix	trans	-48.6	-53.9	178.3	-81.5	-175.2	173.2	-170.8	0	114.4	L415 M421 W422 Q423	L415-K419 HydrophobicContact CD1-CD 4.48Å; L415-K419 HydrophobicContact CD1-CG 4.13Å; L415-K419 HydrophobicContact CG-CD 4.17Å; L415-K419 HydrophobicContact CG-CG 4.2Å; L415-K419 WeakPolarHBondContact O-CB 3.36Å; L415-K419 WeakPolarHBondContact O-CG 3.3Å; L415-K419 PolarHBondContact O-N 3.19Å; K419-M421 VanDerWaalsContact C-N 3.3Å; K419-M421 PolarHBondContact O-N 3.08Å; K419-W422 PolarHBondContact O-N 2.82Å; K419-Q423 WeakPolarHBondContact O-CB 3.49Å; K419-Q423 VanDerWaalsContact O-CG 3.27Å; K419-Q423 WeakPolarHBondContact O-CG 3.41Å; K419-Q423 PolarHBondContact O-N 2.63Å
420	P	88.9	Confident	84	Confident	65 Å²	65	83 Å²	83	42%	0.422	38%	0.383	S	S	.	.	H	α-helix	trans	-64.6	-34.7	179.3	24.4	-33.9	0	0	0	112.4	R416 R417 Q423 E424	R416-P420 VanDerWaalsContact O-CD 3.28Å; R416-P420 WeakPolarHBondContact O-CD 3.45Å; R417-P420 WeakPolarHBondContact O-CD 3.46Å; R417-P420 WeakPolarHBondContact O-CG 3.48Å; P420-Q423 PolarHBondContact O-N 2.97Å; P420-E424 WeakPolarHBondContact O-CB 3.25Å; P420-E424 PolarHBondContact O-N 3.03Å
421	M	85	Confident	83.9	Confident	91 Å²	91	80.9 Å²	80.9	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-43.5	177.6	-63.9	-171.4	-63.1	0	0	112	R417 M418 K419 E424 M425	R417-M421 HydrophobicContact CG-CE 4.2Å; R417-M421 WeakPolarHBondContact O-CE 3.47Å; M418-M421 HydrophobicContact CB-CE 4.4Å; M418-M421 HydrophobicContact CG-CE 4.07Å; M418-M421 WeakPolarHBondContact O-CB 3.5Å; M418-M421 PolarHBondContact O-N 3.23Å; K419-M421 VanDerWaalsContact C-N 3.3Å; K419-M421 PolarHBondContact O-N 3.08Å; M421-E424 PolarHBondContact O-N 3.45Å; M421-M425 WeakPolarHBondContact O-CB 3.49Å; M421-M425 PolarHBondContact O-N 3.37Å
422	W	87.6	Confident	84	Confident	24 Å²	24	79.7 Å²	79.7	9%	0.091	37%	0.367	C	S	.	.	H	α-helix	trans	-66.2	-39	175.7	-66.8	-33.7	0	0	0	111.9	T348 E351 H352 T355 L415 M418 K419 M425 N426	T348-W422 HydrophobicContact CG2-CB 3.83Å; T348-W422 HydrophobicContact CG2-CG 3.91Å; E351-W422 HydrophobicContact CB-CZ2 4.07Å; E351-W422 PolarHBondContact OE2-NE1 2.91Å; H352-W422 HydrophobicContact CB-CE3 4.35Å; H352-W422 HydrophobicContact CB-CH2 4.46Å; H352-W422 HydrophobicContact CB-CZ3 4.33Å; H352-W422 AromaticContact CD2-CE3 3.6Å; H352-W422 AromaticContact CD2-CZ3 3.51Å; T355-W422 HydrophobicContact CG2-CH2 4.06Å; T355-W422 WeakPolarHBondContact OG1-CH2 3.46Å; L415-W422 HydrophobicContact CD1-CH2 4.48Å; L415-W422 HydrophobicContact CD1-CZ3 3.93Å; M418-W422 HydrophobicContact CB-CD2 4.08Å; M418-W422 HydrophobicContact CB-CE3 4Å; M418-W422 HydrophobicContact CB-CH2 3.87Å; M418-W422 HydrophobicContact CB-CZ2 3.97Å; M418-W422 HydrophobicContact CB-CZ3 3.88Å; M418-W422 HydrophobicContact CE-CH2 3.82Å; M418-W422 HydrophobicContact CE-CZ2 3.19Å; M418-W422 PolarHBondContact O-N 2.86Å; M418-W422 HydrophobicContact SD-CH2 4.17Å; M418-W422 HydrophobicContact SD-CZ2 4.12Å; K419-W422 PolarHBondContact O-N 2.82Å; W422-M425 PolarHBondContact O-N 3.19Å; W422-N426 VanDerWaalsContact O-CB 3.27Å; W422-N426 WeakPolarHBondContact O-CB 3.42Å; W422-N426 PolarHBondContact O-N 3.5Å
423	Q	86.6	Confident	84.2	Confident	123 Å²	123	77 Å²	77	58%	0.575	36%	0.357	S	S	*	.	H	α-helix	trans	-61.6	-47	173.7	-75.1	173.8	-11.6	0	0	111.6	K419 P420 N426 I427	K419-Q423 WeakPolarHBondContact O-CB 3.49Å; K419-Q423 VanDerWaalsContact O-CG 3.27Å; K419-Q423 WeakPolarHBondContact O-CG 3.41Å; K419-Q423 PolarHBondContact O-N 2.63Å; P420-Q423 PolarHBondContact O-N 2.97Å; Q423-N426 PolarHBondContact O-N 2.95Å; Q423-I427 VanDerWaalsContact O-CG1 3.26Å; Q423-I427 WeakPolarHBondContact O-CG1 3.29Å; Q423-I427 PolarHBondContact O-N 2.94Å
424	E	84.8	Confident	84.1	Confident	121 Å²	121	75.3 Å²	75.3	57%	0.565	35%	0.353	S	S	*	.	H	α-helix	trans	-60.9	-45.6	176.5	-177.9	176.8	-174.2	0	0	111.5	P420 M421 N426 I427 N428	P420-E424 WeakPolarHBondContact O-CB 3.25Å; P420-E424 PolarHBondContact O-N 3.03Å; M421-E424 PolarHBondContact O-N 3.45Å; E424-N426 VanDerWaalsContact C-N 3.34Å; E424-N426 PolarHBondContact O-N 2.87Å; E424-I427 PolarHBondContact O-N 3.38Å; E424-N428 VanDerWaalsContact O-CB 3.3Å; E424-N428 WeakPolarHBondContact O-CB 3.11Å; E424-N428 PolarHBondContact O-N 2.93Å; E424-N428 PolarHBondContact O-ND2 3.44Å
425	M	83.4	Confident	83.9	Confident	82 Å²	82	71.8 Å²	71.8	40%	0.404	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-44.1	176	-171.4	62.3	72	0	0	111.6	T344 T348 M421 W422 N428 C429	T344-M425 HydrophobicContact CG2-CG 3.83Å; T344-M425 HydrophobicContact CG2-SD 3.55Å; T344-M425 VanDerWaalsContact CG2-SD 3.55Å; T348-M425 HydrophobicContact CG2-CB 4.5Å; M421-M425 WeakPolarHBondContact O-CB 3.49Å; M421-M425 PolarHBondContact O-N 3.37Å; W422-M425 PolarHBondContact O-N 3.19Å; M425-N428 PolarHBondContact O-N 3.18Å; M425-C429 VanDerWaalsContact O-CB 3.3Å; M425-C429 WeakPolarHBondContact O-CB 3.32Å; M425-C429 PolarHBondContact O-N 3.18Å
426	N	84.7	Confident	83.5	Confident	68 Å²	68	78.3 Å²	78.3	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-49.9	179.3	-163.1	-11.9	0	0	0	110.7	L345 W422 Q423 E424 N428 C429 Y430	L345-N426 HydrophobicContact CD2-CB 4.24Å; L345-N426 VanDerWaalsContact CD2-OD1 3.26Å; L345-N426 WeakPolarHBondContact CD2-OD1 3.31Å; W422-N426 VanDerWaalsContact O-CB 3.27Å; W422-N426 WeakPolarHBondContact O-CB 3.42Å; W422-N426 PolarHBondContact O-N 3.5Å; Q423-N426 PolarHBondContact O-N 2.95Å; E424-N426 VanDerWaalsContact C-N 3.34Å; E424-N426 PolarHBondContact O-N 2.87Å; N426-N428 VanDerWaalsContact C-N 3.33Å; N426-N428 PolarHBondContact O-N 2.79Å; N426-C429 PolarHBondContact O-N 3.49Å; N426-Y430 WeakPolarHBondContact O-CA 3.17Å; N426-Y430 WeakPolarHBondContact O-CB 3.4Å; N426-Y430 PolarHBondContact O-N 2.67Å
427	I	81.6	Confident	83.2	Confident	93 Å²	93	73 Å²	73	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-45.3	177.2	-67.7	165.2	0	0	0	111.4	Q423 E424	Q423-I427 VanDerWaalsContact O-CG1 3.26Å; Q423-I427 WeakPolarHBondContact O-CG1 3.29Å; Q423-I427 PolarHBondContact O-N 2.94Å; E424-I427 PolarHBondContact O-N 3.38Å
428	N	81.1	Confident	82.8	Confident	84 Å²	84	66.2 Å²	66.2	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-70.2	-33.3	-177.4	-70.7	-19.8	0	0	0	113.1	E424 M425 N426	E424-N428 VanDerWaalsContact O-CB 3.3Å; E424-N428 WeakPolarHBondContact O-CB 3.11Å; E424-N428 PolarHBondContact O-N 2.93Å; E424-N428 PolarHBondContact O-ND2 3.44Å; M425-N428 PolarHBondContact O-N 3.18Å; N426-N428 VanDerWaalsContact C-N 3.33Å; N426-N428 PolarHBondContact O-N 2.79Å
429	C	84.2	Confident	82.3	Confident	9 Å²	9	67.7 Å²	67.7	6%	0.061	33%	0.326	C	S	.	.	H	α-helix	trans	-91.3	-22.8	-179.5	-70.4	0	0	0	0	113.5	F341 L345 M425 N426 W431 K432 A433	F341-C429 HydrophobicContact CB-CB 4.32Å; L345-C429 HydrophobicContact CD2-CB 3.75Å; L345-C429 HydrophobicContact CG-CB 3.85Å; M425-C429 VanDerWaalsContact O-CB 3.3Å; M425-C429 WeakPolarHBondContact O-CB 3.32Å; M425-C429 PolarHBondContact O-N 3.18Å; N426-C429 PolarHBondContact O-N 3.49Å; C429-W431 PolarHBondContact O-N 3.12Å; C429-K432 CarbonylContact O-C 3.49Å; C429-K432 PolarHBondContact O-N 3.24Å; C429-K432 VanDerWaalsContact O-N 3.12Å; C429-A433 VanDerWaalsContact O-CB 3.3Å; C429-A433 WeakPolarHBondContact O-CB 3.3Å; C429-A433 PolarHBondContact O-N 3.42Å
430	Y	82.8	Confident	82	Confident	91 Å²	91	66.2 Å²	66.2	36%	0.357	33%	0.325	S	S	.	.	H	α-helix	trans	-51.6	-58.7	-172.2	-179.6	-104.5	0	0	0	112.9	N426 K432 A433 L434	N426-Y430 WeakPolarHBondContact O-CA 3.17Å; N426-Y430 WeakPolarHBondContact O-CB 3.4Å; N426-Y430 PolarHBondContact O-N 2.67Å; Y430-K432 VanDerWaalsContact C-N 3.31Å; Y430-K432 PolarHBondContact O-N 3.05Å; Y430-A433 PolarHBondContact O-N 3.31Å; Y430-L434 HydrophobicContact CD1-CD1 4.08Å; Y430-L434 HydrophobicContact CE1-CD1 3.59Å; Y430-L434 HydrophobicContact CE2-CD1 4.28Å; Y430-L434 WeakPolarHBondContact O-CG 3.02Å; Y430-L434 PolarHBondContact O-N 2.83Å; Y430-L434 VanDerWaalsContact O-N 3.12Å
431	W	79.9	Confident	81.9	Confident	20 Å²	20	64.8 Å²	64.8	8%	0.076	31%	0.312	C	S	.	.	H	α-helix	trans	-67.3	-32.4	-179.6	-68.6	107.2	0	0	0	113.2	C429 A433 L434 D435 Y674 L675 T678 T726 L727	C429-W431 PolarHBondContact O-N 3.12Å; W431-A433 VanDerWaalsContact C-N 3.32Å; W431-L434 HydrophobicContact CE3-CD1 3.99Å; W431-L434 HydrophobicContact CZ3-CD1 4.14Å; W431-D435 PolarHBondContact O-N 3.39Å; W431-Y674 AromaticContact CH2-CD2 3.91Å; W431-Y674 HydrophobicContact CH2-CD2 3.91Å; W431-Y674 HydrophobicContact CH2-CE2 4.23Å; W431-Y674 WeakPolarHBondContact CZ2-O 3.24Å; W431-L675 HydrophobicContact CH2-CD2 4.15Å; W431-T678 HydrophobicContact CG-CG2 4.33Å; W431-T726 HydrophobicContact CD2-CG2 4.03Å; W431-T726 HydrophobicContact CE3-CG2 3.97Å; W431-T726 HydrophobicContact CH2-CG2 4.23Å; W431-T726 HydrophobicContact CZ2-CG2 4.31Å; W431-T726 HydrophobicContact CZ3-CG2 4.08Å; W431-L727 HydrophobicContact CZ3-CG 4.44Å
432	K	82.3	Confident	81.9	Confident	41 Å²	41	63.7 Å²	63.7	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-72.5	-27.4	177.1	-55.7	-174	-179.5	-170.9	0	112.3	S339 F341 C429 Y430 D719	S339-K432 PolarHBondContact OG-O 3.19Å; F341-K432 HydrophobicContact CB-CB 3.74Å; F341-K432 HydrophobicContact CD1-CB 3.74Å; F341-K432 HydrophobicContact CD1-CD 3.61Å; F341-K432 HydrophobicContact CD1-CG 4.31Å; F341-K432 HydrophobicContact CD2-CB 3.37Å; F341-K432 HydrophobicContact CD2-CD 4.28Å; F341-K432 HydrophobicContact CD2-CG 4.4Å; F341-K432 HydrophobicContact CE1-CB 4.18Å; F341-K432 HydrophobicContact CE1-CD 3.34Å; F341-K432 HydrophobicContact CE1-CG 4.39Å; F341-K432 HydrophobicContact CE2-CB 3.84Å; F341-K432 HydrophobicContact CE2-CD 4.03Å; F341-K432 HydrophobicContact CE2-CG 4.45Å; F341-K432 HydrophobicContact CG-CB 3.3Å; F341-K432 HydrophobicContact CG-CD 4.08Å; F341-K432 HydrophobicContact CG-CG 4.32Å; F341-K432 HydrophobicContact CZ-CB 4.23Å; F341-K432 HydrophobicContact CZ-CD 3.57Å; F341-K432 HydrophobicContact CZ-CG 4.46Å; C429-K432 CarbonylContact O-C 3.49Å; C429-K432 PolarHBondContact O-N 3.24Å; C429-K432 VanDerWaalsContact O-N 3.12Å; Y430-K432 VanDerWaalsContact C-N 3.31Å; Y430-K432 PolarHBondContact O-N 3.05Å; K432-D719 WeakPolarHBondContact CE-OD1 3.23Å; K432-D719 IonicContact NZ-OD1 3.68Å; K432-D719 PolarHBondContact NZ-OD1 3.17Å; K432-D719 IonicContact NZ-OD2 3.83Å; K432-D719 PolarHBondContact NZ-OD2 3.46Å
433	A	82.2	Confident	81.8	Confident	17 Å²	17	65 Å²	65	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-79.5	-31.2	176.2	0	0	0	0	0	112.3	F341 Q342 L345 C429 Y430 W431 D435	F341-A433 HydrophobicContact CB-CB 4.12Å; Q342-A433 HydrophobicContact CB-CB 4.11Å; L345-A433 HydrophobicContact CD1-CB 3.39Å; L345-A433 HydrophobicContact CG-CB 4.35Å; C429-A433 VanDerWaalsContact O-CB 3.3Å; C429-A433 WeakPolarHBondContact O-CB 3.3Å; C429-A433 PolarHBondContact O-N 3.42Å; Y430-A433 PolarHBondContact O-N 3.31Å; W431-A433 VanDerWaalsContact C-N 3.32Å; A433-D435 VanDerWaalsContact C-N 3.32Å
434	L	81.5	Confident	81.9	Confident	77 Å²	77	62.2 Å²	62.2	40%	0.403	31%	0.307	S	S	.	.	H	α-helix	trans	-72.9	-23.1	175.4	-68.5	174.8	0	0	0	113.3	Y430 W431 Y436 L727	Y430-L434 HydrophobicContact CD1-CD1 4.08Å; Y430-L434 HydrophobicContact CE1-CD1 3.59Å; Y430-L434 HydrophobicContact CE2-CD1 4.28Å; Y430-L434 WeakPolarHBondContact O-CG 3.02Å; Y430-L434 PolarHBondContact O-N 2.83Å; Y430-L434 VanDerWaalsContact O-N 3.12Å; W431-L434 HydrophobicContact CE3-CD1 3.99Å; W431-L434 HydrophobicContact CZ3-CD1 4.14Å; L434-Y436 PolarHBondContact O-N 2.98Å; L434-L727 HydrophobicContact CB-CD2 3.63Å
435	D	79.3	Confident	82.1	Confident	3 Å²	3	57 Å²	57	2%	0.016	28%	0.283	C	S	.	.			trans	-81.6	81.6	177.7	-166.4	-8.5	0	0	0	111.9	W431 A433 H437 D438 L727	W431-D435 PolarHBondContact O-N 3.39Å; A433-D435 VanDerWaalsContact C-N 3.32Å; D435-H437 PolarHBondContact O-N 2.67Å; D435-H437 PolarHBondContact OD1-N 3.22Å; D435-H437 VanDerWaalsContact OD1-N 3.16Å; D435-D438 HydrophobicContact CB-CB 4.49Å; D435-D438 PolarHBondContact OD1-N 3.43Å; D435-D438 VanDerWaalsContact OD1-N 3.09Å; D435-L727 HydrophobicContact CB-CD2 4.5Å
436	Y	77	Confident	82.2	Confident	159 Å²	159	57.3 Å²	57.3	62%	0.624	28%	0.283	S	S	*	.			trans	-72	-18.2	174.3	68.6	-92.6	0	0	0	113.2	L434	L434-Y436 PolarHBondContact O-N 2.98Å
437	H	77.1	Confident	82.4	Confident	70 Å²	70	59.8 Å²	59.8	32%	0.324	29%	0.291	S	S	.	.	S	Bend	trans	-75.1	-38.3	-177.3	-68	96.9	0	0	0	111.4	D435 I439 T440 F441 Y730	D435-H437 PolarHBondContact O-N 2.67Å; D435-H437 PolarHBondContact OD1-N 3.22Å; D435-H437 VanDerWaalsContact OD1-N 3.16Å; H437-I439 PolarHBondContact O-N 3.15Å; H437-I439 VanDerWaalsContact O-N 3.08Å; H437-T440 PolarHBondContact O-N 3.47Å; H437-F441 WeakPolarHBondContact O-CB 3.44Å; H437-F441 PolarHBondContact O-N 2.96Å; H437-Y730 HydrophobicContact CB-CD1 4.15Å; H437-Y730 HydrophobicContact CB-CD2 4.21Å; H437-Y730 HydrophobicContact CB-CE1 4.22Å; H437-Y730 HydrophobicContact CB-CE2 4.24Å; H437-Y730 HydrophobicContact CB-CG 4.16Å
438	D	76.5	Confident	82.7	Confident	25 Å²	25	59.5 Å²	59.5	13%	0.134	29%	0.29	C	S	.	.	H	α-helix	trans	-50.5	-37.6	-178.5	-168.6	15	0	0	0	112.9	D435 T440 F441 K442 R722 F733	D435-D438 HydrophobicContact CB-CB 4.49Å; D435-D438 PolarHBondContact OD1-N 3.43Å; D435-D438 VanDerWaalsContact OD1-N 3.09Å; D438-T440 VanDerWaalsContact C-N 3.33Å; D438-T440 PolarHBondContact O-N 3.36Å; D438-F441 PolarHBondContact O-N 2.68Å; D438-K442 WeakPolarHBondContact OD1-CE 3.3Å; D438-R722 IonicContact OD2-NH2 3.07Å; D438-R722 PolarHBondContact OD2-NH2 3.38Å; D438-F733 HydrophobicContact CB-CE2 4.45Å; D438-F733 VanDerWaalsContact OD1-CD2 3.26Å; D438-F733 WeakPolarHBondContact OD1-CD2 3.35Å; D438-F733 WeakPolarHBondContact OD1-CE2 3.25Å
439	I	74.7	Confident	83	Confident	61 Å²	61	58 Å²	58	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-55.7	-42.1	-173.7	-53.5	179.8	0	0	0	113.1	K337 H437	K337-I439 HydrophobicContact CB-CG2 4.07Å; K337-I439 HydrophobicContact CD-CG2 4.39Å; K337-I439 WeakPolarHBondContact O-CD1 3.35Å; H437-I439 PolarHBondContact O-N 3.15Å; H437-I439 VanDerWaalsContact O-N 3.08Å
440	T	81.2	Confident	83.3	Confident	66 Å²	66	63.8 Å²	63.8	41%	0.405	30%	0.3	S	S	.	.	H	α-helix	trans	-108.9	-22.9	-178.9	73.7	0	0	0	0	112.4	H437 D438 K442 S443 D444	H437-T440 PolarHBondContact O-N 3.47Å; D438-T440 VanDerWaalsContact C-N 3.33Å; D438-T440 PolarHBondContact O-N 3.36Å; T440-K442 PolarHBondContact O-N 3.37Å; T440-S443 PolarHBondContact O-N 3.34Å; T440-S443 PolarHBondContact O-OG 2.91Å; T440-D444 WeakPolarHBondContact CB-OD2 3.21Å; T440-D444 VanDerWaalsContact O-CG 3.28Å; T440-D444 PolarHBondContact O-N 3.48Å; T440-D444 PolarHBondContact OG1-OD2 3.23Å
441	F	85.7	Confident	83.6	Confident	36 Å²	36	61.2 Å²	61.2	16%	0.158	29%	0.294	C	S	.	.	H	α-helix	trans	-55.7	-47.1	-171	-178.9	-99.1	0	0	0	113	H437 D438 S443 D444 D445 Y730 T734	H437-F441 WeakPolarHBondContact O-CB 3.44Å; H437-F441 PolarHBondContact O-N 2.96Å; D438-F441 PolarHBondContact O-N 2.68Å; F441-S443 VanDerWaalsContact C-N 3.29Å; F441-S443 PolarHBondContact O-N 3.35Å; F441-D444 PolarHBondContact O-N 2.95Å; F441-D445 HydrophobicContact CD1-CB 4.49Å; F441-D445 HydrophobicContact CE1-CB 4.22Å; F441-D445 HydrophobicContact CE2-CB 4.3Å; F441-D445 HydrophobicContact CZ-CB 4.12Å; F441-D445 WeakPolarHBondContact O-CB 3.48Å; F441-D445 PolarHBondContact O-N 2.85Å; F441-Y730 HydrophobicContact CB-CD2 4.16Å; F441-Y730 AromaticContact CD1-CD2 3.7Å; F441-Y730 HydrophobicContact CD1-CD2 3.7Å; F441-Y730 WeakPolarHBondContact CD1-O 3.4Å; F441-Y730 AromaticContact CD2-CD2 3.59Å; F441-Y730 HydrophobicContact CD2-CD2 3.59Å; F441-Y730 AromaticContact CD2-CE2 3.65Å; F441-Y730 HydrophobicContact CD2-CE2 3.65Å; F441-Y730 AromaticContact CE1-CD2 3.91Å; F441-Y730 HydrophobicContact CE1-CD2 3.91Å; F441-Y730 WeakPolarHBondContact CE1-O 3.44Å; F441-Y730 AromaticContact CE2-CD2 3.81Å; F441-Y730 HydrophobicContact CE2-CD2 3.81Å; F441-Y730 AromaticContact CE2-CE2 3.69Å; F441-Y730 HydrophobicContact CE2-CE2 3.69Å; F441-Y730 AromaticContact CG-CD2 3.52Å; F441-Y730 HydrophobicContact CG-CD2 3.52Å; F441-Y730 HydrophobicContact CG-CE2 4.1Å; F441-Y730 AromaticContact CZ-CD2 3.97Å; F441-Y730 HydrophobicContact CZ-CD2 3.97Å; F441-Y730 HydrophobicContact CZ-CE2 4.16Å; F441-T734 HydrophobicContact CE1-CG2 4.39Å
442	K	85.6	Confident	84.2	Confident	67 Å²	67	70.1 Å²	70.1	29%	0.291	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-41.7	-180	-63.6	-174.1	-167.2	178.5	0	112.2	D438 T440 Q446 E718 F733 T734	D438-K442 WeakPolarHBondContact OD1-CE 3.3Å; T440-K442 PolarHBondContact O-N 3.37Å; K442-Q446 WeakPolarHBondContact O-CB 3.34Å; K442-Q446 PolarHBondContact O-N 3.2Å; K442-Q446 VanDerWaalsContact O-N 3.16Å; K442-E718 IonicContact NZ-OE1 2.82Å; K442-E718 PolarHBondContact NZ-OE1 3.02Å; K442-E718 IonicContact NZ-OE2 3.37Å; K442-E718 PolarHBondContact NZ-OE2 3.37Å; K442-F733 HydrophobicContact CG-CB 4.47Å; K442-T734 HydrophobicContact CB-CG2 4.43Å; K442-T734 HydrophobicContact CG-CG2 4.35Å
443	S	85.8	Confident	84.7	Confident	51 Å²	51	70.1 Å²	70.1	36%	0.357	33%	0.333	S	S	.	.	H	α-helix	trans	-75.8	-35.5	-178.6	68.5	0	0	0	0	113.3	T440 F441 K447	T440-S443 PolarHBondContact O-N 3.34Å; T440-S443 PolarHBondContact O-OG 2.91Å; F441-S443 VanDerWaalsContact C-N 3.29Å; F441-S443 PolarHBondContact O-N 3.35Å; S443-K447 WeakPolarHBondContact O-CD 3.44Å; S443-K447 VanDerWaalsContact O-CG 3.26Å; S443-K447 WeakPolarHBondContact O-CG 3.28Å; S443-K447 PolarHBondContact O-N 2.76Å
444	D	87.4	Confident	85.2	Confident	65 Å²	65	69.8 Å²	69.8	35%	0.348	33%	0.329	S	S	.	.	H	α-helix	trans	-75.7	-46.2	-179.2	-64.2	-24.1	0	0	0	109.9	T440 F441 Q446 K447 D448	T440-D444 WeakPolarHBondContact CB-OD2 3.21Å; T440-D444 VanDerWaalsContact O-CG 3.28Å; T440-D444 PolarHBondContact O-N 3.48Å; T440-D444 PolarHBondContact OG1-OD2 3.23Å; F441-D444 PolarHBondContact O-N 2.95Å; D444-Q446 PolarHBondContact O-N 3.18Å; D444-K447 WeakPolarHBondContact O-CB 3.38Å; D444-K447 PolarHBondContact O-N 3.45Å; D444-K447 VanDerWaalsContact O-N 3.07Å; D444-D448 WeakPolarHBondContact O-CB 3.34Å; D444-D448 PolarHBondContact O-N 3.46Å
445	D	90.3	Very high	85.7	Confident	11 Å²	11	67.4 Å²	67.4	6%	0.059	32%	0.316	C	S	.	.	H	α-helix	trans	-64.8	-38.9	178.7	-168.1	61.3	0	0	0	112	F441 K447 D448 K449 R652 T734	F441-D445 HydrophobicContact CD1-CB 4.49Å; F441-D445 HydrophobicContact CE1-CB 4.22Å; F441-D445 HydrophobicContact CE2-CB 4.3Å; F441-D445 HydrophobicContact CZ-CB 4.12Å; F441-D445 WeakPolarHBondContact O-CB 3.48Å; F441-D445 PolarHBondContact O-N 2.85Å; D445-K447 VanDerWaalsContact C-N 3.27Å; D445-K447 PolarHBondContact O-N 3.03Å; D445-D448 PolarHBondContact O-N 2.96Å; D445-K449 WeakPolarHBondContact O-CB 3.33Å; D445-K449 VanDerWaalsContact O-CG 3.3Å; D445-K449 WeakPolarHBondContact O-CG 3.41Å; D445-K449 PolarHBondContact O-N 3.43Å; D445-K449 VanDerWaalsContact OD1-CE 3.26Å; D445-K449 WeakPolarHBondContact OD1-CE 3.44Å; D445-K449 WeakPolarHBondContact OD1-CG 3.31Å; D445-R652 IonicContact OD1-NH2 3.43Å; D445-R652 PolarHBondContact OD1-NH2 3.41Å; D445-R652 IonicContact OD2-CZ 3.67Å; D445-R652 IonicContact OD2-NH1 3.36Å; D445-R652 IonicContact OD2-NH2 2.67Å; D445-R652 PolarHBondContact OD2-NH2 3.32Å; D445-T734 HydrophobicContact CB-CG2 4.45Å; D445-T734 WeakPolarHBondContact OD2-CB 3.32Å; D445-T734 PolarHBondContact OD2-OG1 3.42Å
446	Q	86	Confident	86.3	Confident	89 Å²	89	69.7 Å²	69.7	42%	0.416	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-33.4	173.6	-173.8	179.9	32.4	0	0	112.6	K442 D444 Q737	K442-Q446 WeakPolarHBondContact O-CB 3.34Å; K442-Q446 PolarHBondContact O-N 3.2Å; K442-Q446 VanDerWaalsContact O-N 3.16Å; D444-Q446 PolarHBondContact O-N 3.18Å; Q446-Q737 VanDerWaalsContact CG-OE1 3.31Å
447	K	88.6	Confident	87	Confident	121 Å²	121	64.5 Å²	64.5	53%	0.526	33%	0.326	S	S	.	.	H	α-helix	trans	-74	-46.6	174.8	-71.2	167.7	-171.9	168.8	0	110.7	S443 D444 D445 K449 S453	S443-K447 WeakPolarHBondContact O-CD 3.44Å; S443-K447 VanDerWaalsContact O-CG 3.26Å; S443-K447 WeakPolarHBondContact O-CG 3.28Å; S443-K447 PolarHBondContact O-N 2.76Å; D444-K447 WeakPolarHBondContact O-CB 3.38Å; D444-K447 PolarHBondContact O-N 3.45Å; D444-K447 VanDerWaalsContact O-N 3.07Å; D445-K447 VanDerWaalsContact C-N 3.27Å; D445-K447 PolarHBondContact O-N 3.03Å; K447-K449 PolarHBondContact O-N 3.18Å; K447-S453 WeakPolarHBondContact O-CB 3.43Å; K447-S453 PolarHBondContact O-OG 3.48Å
448	D	88.1	Confident	87.6	Confident	86 Å²	86	61.2 Å²	61.2	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-36.8	-175.9	-75	-2.6	0	0	0	113.1	D444 D445	D444-D448 WeakPolarHBondContact O-CB 3.34Å; D444-D448 PolarHBondContact O-N 3.46Å; D445-D448 PolarHBondContact O-N 2.96Å
449	K	87.4	Confident	88.3	Confident	52 Å²	52	62.3 Å²	62.3	23%	0.226	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	1	-175.3	-51.5	-44.1	177.4	-141	0	113.7	D445 K447 L645 I648	D445-K449 WeakPolarHBondContact O-CB 3.33Å; D445-K449 VanDerWaalsContact O-CG 3.3Å; D445-K449 WeakPolarHBondContact O-CG 3.41Å; D445-K449 PolarHBondContact O-N 3.43Å; D445-K449 VanDerWaalsContact OD1-CE 3.26Å; D445-K449 WeakPolarHBondContact OD1-CE 3.44Å; D445-K449 WeakPolarHBondContact OD1-CG 3.31Å; K447-K449 PolarHBondContact O-N 3.18Å; K449-L645 HydrophobicContact CB-CD2 4.09Å; K449-I648 HydrophobicContact CD-CD1 3.64Å; K449-I648 HydrophobicContact CD-CG2 4.47Å
450	R	89.2	Confident	89.1	Confident	131 Å²	131	62.1 Å²	62.1	49%	0.494	32%	0.322	S	S	.	.	S	Bend	trans	-64.1	141.5	173.5	-168.1	177	-71.2	179.5	-4.9	110.2	R452 S453 L454	R450-R452 VanDerWaalsContact C-N 3.25Å; R450-R452 PolarHBondContact O-N 3.34Å; R450-R452 VanDerWaalsContact O-N 3.13Å; R450-S453 WeakPolarHBondContact O-CB 3.31Å; R450-S453 PolarHBondContact O-N 3.41Å; R450-L454 PolarHBondContact O-N 2.76Å; R450-L454 VanDerWaalsContact O-N 3.09Å
451	T	90.8	Very high	89.5	Confident	38 Å²	38	61.9 Å²	61.9	23%	0.233	32%	0.318	C	S	.	.	H	α-helix	trans	-46.1	-46.7	177.1	-51.7	0	0	0	0	112.9	S453 L455 V641 Q745	T451-S453 PolarHBondContact O-N 3.47Å; T451-L455 HydrophobicContact CG2-CD1 4.12Å; T451-L455 WeakPolarHBondContact O-CG 3.38Å; T451-L455 PolarHBondContact O-N 3.05Å; T451-L455 VanDerWaalsContact O-N 3.12Å; T451-V641 HydrophobicContact CG2-CG1 4.17Å; T451-V641 HydrophobicContact CG2-CG2 3.96Å; T451-Q745 PolarHBondContact OG1-NE2 3.27Å
452	R	92	Very high	89.6	Confident	206 Å²	206	61 Å²	61	78%	0.777	32%	0.315	S	S	*	.	H	α-helix	trans	-64.2	-37.4	179.6	-65.2	-175	-172.7	173.5	1.5	113	R450 A456	R450-R452 VanDerWaalsContact C-N 3.25Å; R450-R452 PolarHBondContact O-N 3.34Å; R450-R452 VanDerWaalsContact O-N 3.13Å; R452-A456 WeakPolarHBondContact O-CB 3.35Å; R452-A456 PolarHBondContact O-N 2.87Å
453	S	92.2	Very high	89.7	Confident	42 Å²	42	62.3 Å²	62.3	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-70.1	-44.9	-179.7	-172.9	0	0	0	0	111.2	K447 R450 T451 L455 A456 A457	K447-S453 WeakPolarHBondContact O-CB 3.43Å; K447-S453 PolarHBondContact O-OG 3.48Å; R450-S453 WeakPolarHBondContact O-CB 3.31Å; R450-S453 PolarHBondContact O-N 3.41Å; T451-S453 PolarHBondContact O-N 3.47Å; S453-L455 VanDerWaalsContact C-N 3.32Å; S453-L455 PolarHBondContact O-N 3.37Å; S453-A456 PolarHBondContact O-N 3.18Å; S453-A457 WeakPolarHBondContact O-CB 3.37Å; S453-A457 PolarHBondContact O-N 3.02Å
454	L	92.1	Very high	89.8	Confident	9 Å²	9	66.2 Å²	66.2	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-39.9	176.6	-68.5	174	0	0	0	112.4	R450 V458 Y640 V641 L645	R450-L454 PolarHBondContact O-N 2.76Å; R450-L454 VanDerWaalsContact O-N 3.09Å; L454-V458 PolarHBondContact O-N 3.3Å; L454-Y640 HydrophobicContact CB-CE1 4.21Å; L454-V641 HydrophobicContact CD1-CG1 4.08Å; L454-L645 HydrophobicContact CD1-CD2 3.87Å; L454-L645 HydrophobicContact CD1-CG 4.05Å
455	L	92.3	Very high	89.7	Confident	27 Å²	27	66.8 Å²	66.8	14%	0.141	34%	0.335	C	S	.	.	H	α-helix	trans	-69.7	-48.1	175.9	-68	172.8	0	0	0	111.7	T451 S453 A457 V458 E459 Y640 V641 F799	T451-L455 HydrophobicContact CG2-CD1 4.12Å; T451-L455 WeakPolarHBondContact O-CG 3.38Å; T451-L455 PolarHBondContact O-N 3.05Å; T451-L455 VanDerWaalsContact O-N 3.12Å; S453-L455 VanDerWaalsContact C-N 3.32Å; S453-L455 PolarHBondContact O-N 3.37Å; L455-A457 PolarHBondContact O-N 2.93Å; L455-V458 PolarHBondContact O-N 3.31Å; L455-V458 VanDerWaalsContact O-N 3.12Å; L455-E459 WeakPolarHBondContact O-CB 3.27Å; L455-E459 WeakPolarHBondContact O-CG 3.46Å; L455-E459 PolarHBondContact O-N 2.95Å; L455-Y640 HydrophobicContact CD2-CD1 3.86Å; L455-Y640 HydrophobicContact CD2-CE1 4.37Å; L455-V641 HydrophobicContact CD1-CG2 4.48Å; L455-V641 HydrophobicContact CD2-CG2 4Å; L455-V641 HydrophobicContact CG-CG2 4.04Å; L455-F799 HydrophobicContact CD2-CE2 4.23Å; L455-F799 HydrophobicContact CD2-CZ 3.78Å
456	A	92.4	Very high	89.4	Confident	51 Å²	51	71.1 Å²	71.1	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-58.1	-36	177.2	0	0	0	0	0	112.5	R452 S453 E459 A460	R452-A456 WeakPolarHBondContact O-CB 3.35Å; R452-A456 PolarHBondContact O-N 2.87Å; S453-A456 PolarHBondContact O-N 3.18Å; A456-E459 PolarHBondContact O-N 3.48Å; A456-A460 VanDerWaalsContact O-CB 3.31Å; A456-A460 WeakPolarHBondContact O-CB 3.39Å; A456-A460 PolarHBondContact O-N 2.68Å
457	A	91.5	Very high	89.5	Confident	50 Å²	50	69 Å²	69	41%	0.413	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-40.5	176.7	0	0	0	0	0	112.9	S453 L455 L461	S453-A457 WeakPolarHBondContact O-CB 3.37Å; S453-A457 PolarHBondContact O-N 3.02Å; L455-A457 PolarHBondContact O-N 2.93Å; A457-L461 WeakPolarHBondContact O-CG 3.34Å; A457-L461 PolarHBondContact O-N 2.89Å
458	V	91	Very high	89.3	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.006	35%	0.348	C	S	.	.	H	α-helix	trans	-73.1	-39.1	176	-177.9	0	0	0	0	111.5	L454 L455 L461 F462 H481 V482 Y640 F799 L815	L454-V458 PolarHBondContact O-N 3.3Å; L455-V458 PolarHBondContact O-N 3.31Å; L455-V458 VanDerWaalsContact O-N 3.12Å; V458-L461 PolarHBondContact O-N 3.41Å; V458-F462 WeakPolarHBondContact O-CB 3.49Å; V458-F462 PolarHBondContact O-N 3.03Å; V458-H481 HydrophobicContact CG1-CB 4.13Å; V458-V482 HydrophobicContact CG2-CG2 3.81Å; V458-Y640 HydrophobicContact CG2-CE1 3.78Å; V458-Y640 HydrophobicContact CG2-CE2 3.67Å; V458-Y640 WeakPolarHBondContact CG2-OH 3.39Å; V458-F799 HydrophobicContact CB-CE1 4.49Å; V458-F799 HydrophobicContact CG1-CE1 4.05Å; V458-L815 HydrophobicContact CG1-CB 4.08Å
459	E	90.4	Very high	89.1	Confident	48 Å²	48	65.7 Å²	65.7	22%	0.224	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-45.9	177.2	-69.3	164.3	-161.4	0	0	110.8	L455 A456 L461 F462 D463 K797 L815	L455-E459 WeakPolarHBondContact O-CB 3.27Å; L455-E459 WeakPolarHBondContact O-CG 3.46Å; L455-E459 PolarHBondContact O-N 2.95Å; A456-E459 PolarHBondContact O-N 3.48Å; E459-L461 VanDerWaalsContact C-N 3.31Å; E459-L461 PolarHBondContact O-N 3.37Å; E459-F462 CarbonylContact O-C 3.58Å; E459-F462 WeakPolarHBondContact O-CA 3.24Å; E459-F462 WeakPolarHBondContact O-CB 3.21Å; E459-F462 PolarHBondContact O-N 3.22Å; E459-F462 VanDerWaalsContact O-N 3.08Å; E459-D463 WeakPolarHBondContact O-CB 3.34Å; E459-D463 VanDerWaalsContact O-CG 3.27Å; E459-D463 PolarHBondContact O-N 3.37Å; E459-K797 HydrophobicContact CG-CD 4.47Å; E459-K797 IonicContact OE1-NZ 3.03Å; E459-K797 PolarHBondContact OE1-NZ 2.93Å; E459-K797 IonicContact OE2-NZ 3.94Å; E459-K797 PolarHBondContact OE2-NZ 3.48Å; E459-L815 HydrophobicContact CG-CD2 4.28Å
460	A	90.9	Very high	89	Confident	57 Å²	57	69 Å²	69	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-39.1	175	0	0	0	0	0	112.8	A456 Q464	A456-A460 VanDerWaalsContact O-CB 3.31Å; A456-A460 WeakPolarHBondContact O-CB 3.39Å; A456-A460 PolarHBondContact O-N 2.68Å; A460-Q464 VanDerWaalsContact O-CB 3.27Å; A460-Q464 WeakPolarHBondContact O-CB 3.39Å; A460-Q464 PolarHBondContact O-N 3.2Å
461	L	89.2	Confident	88.8	Confident	62 Å²	62	71.5 Å²	71.5	33%	0.325	36%	0.362	S	S	.	.	H	α-helix	trans	-68	-35.4	175.2	-71.4	171.4	0	0	0	112.4	A457 V458 E459 R465 V482	A457-L461 WeakPolarHBondContact O-CG 3.34Å; A457-L461 PolarHBondContact O-N 2.89Å; V458-L461 PolarHBondContact O-N 3.41Å; E459-L461 VanDerWaalsContact C-N 3.31Å; E459-L461 PolarHBondContact O-N 3.37Å; L461-R465 WeakPolarHBondContact O-CG 3.4Å; L461-R465 PolarHBondContact O-N 2.83Å; L461-V482 HydrophobicContact CD1-CG2 3.78Å
462	F	87.8	Confident	88.5	Confident	18 Å²	18	73.4 Å²	73.4	8%	0.079	37%	0.368	C	S	.	.	H	α-helix	trans	-67.5	-48.8	174.6	176.5	-90	0	0	0	110.8	V458 E459 Q464 R465 R466 H481 L815 D817	V458-F462 WeakPolarHBondContact O-CB 3.49Å; V458-F462 PolarHBondContact O-N 3.03Å; E459-F462 CarbonylContact O-C 3.58Å; E459-F462 WeakPolarHBondContact O-CA 3.24Å; E459-F462 WeakPolarHBondContact O-CB 3.21Å; E459-F462 PolarHBondContact O-N 3.22Å; E459-F462 VanDerWaalsContact O-N 3.08Å; F462-Q464 VanDerWaalsContact C-N 3.31Å; F462-Q464 PolarHBondContact O-N 3.33Å; F462-R465 WeakPolarHBondContact O-CB 3.48Å; F462-R465 PolarHBondContact O-N 2.59Å; F462-R465 VanDerWaalsContact O-N 3.1Å; F462-R466 PolarHBondContact O-N 3.04Å; F462-H481 AromaticContact CD2-CE1 3.75Å; F462-H481 AromaticContact CD2-NE2 3.39Å; F462-H481 WeakPolarHBondContact CD2-NE2 3.25Å; F462-L815 HydrophobicContact CB-CD2 3.93Å; F462-L815 HydrophobicContact CD1-CD2 4.3Å; F462-L815 HydrophobicContact CD2-CB 4.1Å; F462-L815 HydrophobicContact CD2-CD2 4.19Å; F462-L815 HydrophobicContact CD2-CG 4.21Å; F462-L815 HydrophobicContact CG-CD2 3.88Å; F462-L815 HydrophobicContact CG-CG 4.4Å; F462-D817 HydrophobicContact CE2-CB 4.19Å; F462-D817 HydrophobicContact CZ-CB 3.71Å
463	D	88	Confident	87.6	Confident	93 Å²	93	71.2 Å²	71.2	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-38.6	178	-66.4	-23.5	0	0	0	111.5	E459 R465 R466 A467	E459-D463 WeakPolarHBondContact O-CB 3.34Å; E459-D463 VanDerWaalsContact O-CG 3.27Å; E459-D463 PolarHBondContact O-N 3.37Å; D463-R465 VanDerWaalsContact C-N 3.33Å; D463-R465 PolarHBondContact O-N 2.86Å; D463-R466 PolarHBondContact O-N 3.01Å; D463-A467 VanDerWaalsContact O-CB 3.31Å; D463-A467 WeakPolarHBondContact O-CB 3.29Å; D463-A467 PolarHBondContact O-N 2.91Å
464	Q	87.9	Confident	86.8	Confident	134 Å²	134	76.8 Å²	76.8	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-61	-40.9	174.2	-174	-177.6	20.7	0	0	112.1	A460 F462 K468	A460-Q464 VanDerWaalsContact O-CB 3.27Å; A460-Q464 WeakPolarHBondContact O-CB 3.39Å; A460-Q464 PolarHBondContact O-N 3.2Å; F462-Q464 VanDerWaalsContact C-N 3.31Å; F462-Q464 PolarHBondContact O-N 3.33Å; Q464-K468 WeakPolarHBondContact O-CB 3.3Å; Q464-K468 PolarHBondContact O-N 2.9Å
465	R	85.3	Confident	85.9	Confident	77 Å²	77	85 Å²	85	29%	0.291	43%	0.425	S	S	.	.	H	α-helix	trans	-69.7	-42.5	176.6	-74.4	173.9	-170.3	-167	-11.2	112	L461 F462 D463 K468 A469 G479 P480 H481	L461-R465 WeakPolarHBondContact O-CG 3.4Å; L461-R465 PolarHBondContact O-N 2.83Å; F462-R465 WeakPolarHBondContact O-CB 3.48Å; F462-R465 PolarHBondContact O-N 2.59Å; F462-R465 VanDerWaalsContact O-N 3.1Å; D463-R465 VanDerWaalsContact C-N 3.33Å; D463-R465 PolarHBondContact O-N 2.86Å; R465-K468 PolarHBondContact O-N 3.16Å; R465-A469 WeakPolarHBondContact O-CB 3.4Å; R465-A469 PolarHBondContact O-N 3.45Å; R465-G479 PolarHBondContact NH1-O 3.25Å; R465-P480 PolarHBondContact NH2-O 2.69Å; R465-H481 WeakPolarHBondContact CD-NE2 3.26Å; R465-H481 PolarHBondContact NH1-CD2 3.29Å; R465-H481 PolarHBondContact NH1-CE1 2.9Å; R465-H481 PolarHBondContact NH1-ND1 3.16Å; R465-H481 PolarHBondContact NH1-NE2 3.31Å; R465-H481 VanDerWaalsContact NH1-NE2 3.17Å; R465-H481 VanDerWaalsContact NH2-CA 3.28Å
466	R	84.9	Confident	84.9	Confident	102 Å²	102	87.1 Å²	87.1	39%	0.385	44%	0.435	S	S	.	.	H	α-helix	trans	-59.9	-48.9	176.3	-177.7	177.5	170.8	165.5	3.7	111	F462 D463 K468 A469 E470 I476	F462-R466 PolarHBondContact O-N 3.04Å; D463-R466 PolarHBondContact O-N 3.01Å; R466-K468 VanDerWaalsContact C-N 3.27Å; R466-K468 PolarHBondContact O-N 3.12Å; R466-A469 WeakPolarHBondContact O-CB 3.49Å; R466-A469 PolarHBondContact O-N 3.43Å; R466-A469 VanDerWaalsContact O-N 3.14Å; R466-E470 WeakPolarHBondContact CG-OE1 3.17Å; R466-E470 IonicContact CZ-OE1 2.78Å; R466-E470 IonicContact NE-OE1 2.98Å; R466-E470 PolarHBondContact NE-OE1 2.9Å; R466-E470 IonicContact NH2-OE1 3.1Å; R466-E470 WeakPolarHBondContact O-CG 3.47Å; R466-E470 PolarHBondContact O-N 3.44Å; R466-I476 HydrophobicContact CB-CD1 4.5Å; R466-I476 HydrophobicContact CG-CD1 4.15Å
467	A	87	Confident	83.6	Confident	43 Å²	43	91.7 Å²	91.7	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-33.9	176.3	0	0	0	0	0	112.9	D463 K471	D463-A467 VanDerWaalsContact O-CB 3.31Å; D463-A467 WeakPolarHBondContact O-CB 3.29Å; D463-A467 PolarHBondContact O-N 2.91Å; A467-K471 WeakPolarHBondContact O-CB 3.05Å; A467-K471 VanDerWaalsContact O-CG 3.28Å; A467-K471 WeakPolarHBondContact O-CG 3.32Å; A467-K471 PolarHBondContact O-N 3.47Å; A467-K471 VanDerWaalsContact O-N 3.1Å
468	K	85.8	Confident	82.6	Confident	126 Å²	126	93.6 Å²	93.6	55%	0.548	46%	0.459	S	S	.	.	H	α-helix	trans	-69.8	-42.1	174	-173	178.1	176.2	-178.1	0	111.9	Q464 R465 R466 K471 E472	Q464-K468 WeakPolarHBondContact O-CB 3.3Å; Q464-K468 PolarHBondContact O-N 2.9Å; R465-K468 PolarHBondContact O-N 3.16Å; R466-K468 VanDerWaalsContact C-N 3.27Å; R466-K468 PolarHBondContact O-N 3.12Å; K468-K471 PolarHBondContact O-N 3.05Å; K468-E472 WeakPolarHBondContact CE-OE1 3.44Å; K468-E472 IonicContact NZ-OE1 2.81Å; K468-E472 WeakPolarHBondContact O-CG 3Å; K468-E472 PolarHBondContact O-N 3.1Å
469	A	84	Confident	82	Confident	12 Å²	12	94.4 Å²	94.4	10%	0.099	47%	0.467	C	S	.	.	H	α-helix	trans	-63.6	-42.7	176.8	0	0	0	0	0	111.6	R465 R466 E472 N473 R474 I476	R465-A469 WeakPolarHBondContact O-CB 3.4Å; R465-A469 PolarHBondContact O-N 3.45Å; R466-A469 WeakPolarHBondContact O-CB 3.49Å; R466-A469 PolarHBondContact O-N 3.43Å; R466-A469 VanDerWaalsContact O-N 3.14Å; A469-E472 PolarHBondContact O-N 2.92Å; A469-N473 PolarHBondContact O-N 2.84Å; A469-R474 PolarHBondContact O-N 3.34Å; A469-I476 HydrophobicContact CB-CG1 4.05Å
470	E	83.8	Confident	81.7	Confident	121 Å²	121	94.3 Å²	94.3	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-62.2	-42.1	174.7	-72.5	171.2	-175	0	0	111.8	R466 N473	R466-E470 WeakPolarHBondContact CG-OE1 3.17Å; R466-E470 IonicContact CZ-OE1 2.78Å; R466-E470 IonicContact NE-OE1 2.98Å; R466-E470 PolarHBondContact NE-OE1 2.9Å; R466-E470 IonicContact NH2-OE1 3.1Å; R466-E470 WeakPolarHBondContact O-CG 3.47Å; R466-E470 PolarHBondContact O-N 3.44Å; E470-N473 PolarHBondContact O-N 3.05Å
471	K	85.9	Confident	81.4	Confident	185 Å²	185	92.4 Å²	92.4	80%	0.804	45%	0.452	S	S	*	.	H	α-helix	trans	-65.9	-35.5	175.3	-77	177.1	-178.2	-175.7	0	113.7	A467 K468 N473	A467-K471 WeakPolarHBondContact O-CB 3.05Å; A467-K471 VanDerWaalsContact O-CG 3.28Å; A467-K471 WeakPolarHBondContact O-CG 3.32Å; A467-K471 PolarHBondContact O-N 3.47Å; A467-K471 VanDerWaalsContact O-N 3.1Å; K468-K471 PolarHBondContact O-N 3.05Å; K471-N473 VanDerWaalsContact C-N 3.34Å
472	E	84.8	Confident	81.3	Confident	77 Å²	77	90.2 Å²	90.2	36%	0.36	44%	0.441	S	S	.	.	H	α-helix	trans	-87.6	-2.6	-179.8	-68.2	-178.7	-163.3	0	0	113	K468 A469 R474	K468-E472 WeakPolarHBondContact CE-OE1 3.44Å; K468-E472 IonicContact NZ-OE1 2.81Å; K468-E472 WeakPolarHBondContact O-CG 3Å; K468-E472 PolarHBondContact O-N 3.1Å; A469-E472 PolarHBondContact O-N 2.92Å; E472-R474 HydrophobicContact CB-CB 4.37Å; E472-R474 HydrophobicContact CB-CG 4.16Å; E472-R474 PolarHBondContact O-N 3.1Å; E472-R474 IonicContact OE2-CZ 2.76Å; E472-R474 IonicContact OE2-NE 2.68Å; E472-R474 IonicContact OE2-NH1 3.06Å; E472-R474 PolarHBondContact OE2-NH1 3.2Å
473	N	71.8	Confident	81.5	Confident	160 Å²	160	94.3 Å²	94.3	86%	0.856	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	41.2	-172.4	-145.7	24.7	0	0	0	112.6	A469 E470 K471	A469-N473 PolarHBondContact O-N 2.84Å; E470-N473 PolarHBondContact O-N 3.05Å; K471-N473 VanDerWaalsContact C-N 3.34Å
474	R	77.2	Confident	81.6	Confident	160 Å²	160	90.2 Å²	90.2	60%	0.604	44%	0.441	S	S	*	.			trans	-117.5	156	-178.5	-74.3	175.3	179.4	169.3	-6.3	110.4	A469 E472	A469-R474 PolarHBondContact O-N 3.34Å; E472-R474 HydrophobicContact CB-CB 4.37Å; E472-R474 HydrophobicContact CB-CG 4.16Å; E472-R474 PolarHBondContact O-N 3.1Å; E472-R474 IonicContact OE2-CZ 2.76Å; E472-R474 IonicContact OE2-NE 2.68Å; E472-R474 IonicContact OE2-NH1 3.06Å; E472-R474 PolarHBondContact OE2-NH1 3.2Å
475	E	71.6	Confident	81.7	Confident	181 Å²	181	88.3 Å²	88.3	85%	0.846	43%	0.432	S	S	*	.			trans	-60.7	146.7	170.1	-67.5	179.5	177.9	0	0	111	Q477	E475-Q477 PolarHBondContact O-N 2.81Å
476	I	71.1	Confident	81.8	Confident	72 Å²	72	84.8 Å²	84.8	37%	0.369	42%	0.418	S	S	.	.			trans	-61	113.6	177.6	-58.8	174.1	0	0	0	107.9	R466 A469 S478	R466-I476 HydrophobicContact CB-CD1 4.5Å; R466-I476 HydrophobicContact CG-CD1 4.15Å; A469-I476 HydrophobicContact CB-CG1 4.05Å; I476-S478 PolarHBondContact O-N 3.3Å; I476-S478 VanDerWaalsContact O-N 3.07Å
477	Q	66.5	Low	81.8	Confident	146 Å²	146	80.7 Å²	80.7	68%	0.682	41%	0.405	S	S	*	.			trans	-60.7	114.8	179.1	-66.7	-179.2	0.4	0	0	109.9	E475	E475-Q477 PolarHBondContact O-N 2.81Å
478	S	70.5	Confident	81.5	Confident	91 Å²	91	83.2 Å²	83.2	64%	0.636	42%	0.42	S	S	*	.			trans	-66.9	133.9	171.5	179	0	0	0	0	109.9	I476 E814	I476-S478 PolarHBondContact O-N 3.3Å; I476-S478 VanDerWaalsContact O-N 3.07Å; S478-E814 WeakPolarHBondContact CA-OE1 3.39Å; S478-E814 PolarHBondContact OG-OE1 2.84Å
479	G	77.2	Confident	81.4	Confident	17 Å²	17	78.4 Å²	78.4	18%	0.175	40%	0.402	C	S	.	.			trans	166.1	164.8	-176.6	0	0	0	0	0	114.4	R465 H481 E814	R465-G479 PolarHBondContact NH1-O 3.25Å; G479-H481 PolarHBondContact O-N 3.3Å; G479-H481 PolarHBondContact O-ND1 3.24Å; G479-E814 PolarHBondContact N-OE1 3.19Å; G479-E814 WeakPolarHBondContact O-CG 3.31Å
480	P	83.8	Confident	81.5	Confident	46 Å²	46	80.5 Å²	80.5	30%	0.299	41%	0.414	S	S	.	.			trans	-68.8	123.1	-172.6	31	-37.9	0	0	0	112.2	R465 I483 T812	R465-P480 PolarHBondContact NH2-O 2.69Å; P480-I483 HydrophobicContact CB-CG1 4.06Å; P480-I483 HydrophobicContact CG-CD1 4.01Å; P480-I483 HydrophobicContact CG-CG1 4.11Å; P480-T812 HydrophobicContact CB-CG2 3.93Å; P480-T812 HydrophobicContact CG-CG2 4.37Å
481	H	85.2	Confident	81.6	Confident	18 Å²	18	79.2 Å²	79.2	8%	0.083	41%	0.408	C	S	.	.	S	Bend	trans	-71.8	-45.1	177.2	-68.8	78.7	0	0	0	112	V458 F462 R465 G479 F813 E814 L815	V458-H481 HydrophobicContact CG1-CB 4.13Å; F462-H481 AromaticContact CD2-CE1 3.75Å; F462-H481 AromaticContact CD2-NE2 3.39Å; F462-H481 WeakPolarHBondContact CD2-NE2 3.25Å; R465-H481 WeakPolarHBondContact CD-NE2 3.26Å; R465-H481 PolarHBondContact NH1-CD2 3.29Å; R465-H481 PolarHBondContact NH1-CE1 2.9Å; R465-H481 PolarHBondContact NH1-ND1 3.16Å; R465-H481 PolarHBondContact NH1-NE2 3.31Å; R465-H481 VanDerWaalsContact NH1-NE2 3.17Å; R465-H481 VanDerWaalsContact NH2-CA 3.28Å; G479-H481 PolarHBondContact O-N 3.3Å; G479-H481 PolarHBondContact O-ND1 3.24Å; H481-F813 WeakPolarHBondContact CA-O 3.44Å; H481-F813 WeakPolarHBondContact CB-O 3.34Å; H481-F813 PolarHBondContact N-O 3.21Å; H481-E814 WeakPolarHBondContact ND1-CA 2.98Å; H481-L815 PolarHBondContact ND1-N 3.06Å
482	V	88.4	Confident	81.7	Confident	15 Å²	15	70.4 Å²	70.4	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.2	178.9	178.4	0	0	0	0	108.7	V458 L461 V484 T812 F813	V458-V482 HydrophobicContact CG2-CG2 3.81Å; L461-V482 HydrophobicContact CD1-CG2 3.78Å; V482-V484 HydrophobicContact CG1-CG2 3.72Å; V482-T812 WeakPolarHBondContact O-CA 3.49Å; V482-F813 HydrophobicContact CB-CB 4.34Å; V482-F813 HydrophobicContact CB-CD2 4.34Å; V482-F813 HydrophobicContact CG1-CD2 4.35Å; V482-F813 PolarHBondContact N-O 2.84Å; V482-F813 VanDerWaalsContact N-O 3.08Å; V482-F813 PolarHBondContact O-N 3.41Å
483	I	90.7	Very high	82	Confident	104 Å²	104	66.8 Å²	66.8	53%	0.533	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.6	175.1	-54.9	176.7	0	0	0	107.2	P480 T812	P480-I483 HydrophobicContact CB-CG1 4.06Å; P480-I483 HydrophobicContact CG-CD1 4.01Å; P480-I483 HydrophobicContact CG-CG1 4.11Å; I483-T812 HydrophobicContact CG1-CG2 4.13Å; I483-T812 HydrophobicContact CG2-CG2 4.31Å
484	V	89.8	Confident	82.9	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.8	-177.7	-163.2	0	0	0	0	108.7	V482 C647 K810 V811 F813	V482-V484 HydrophobicContact CG1-CG2 3.72Å; V484-C647 HydrophobicContact CG1-CB 3.81Å; V484-C647 WeakPolarHBondContact CG1-SG 3.38Å; V484-K810 CarbonylContact O-C 3.6Å; V484-K810 WeakPolarHBondContact O-CA 3.48Å; V484-V811 PolarHBondContact N-O 3.46Å; V484-V811 PolarHBondContact O-N 3.49Å; V484-F813 HydrophobicContact CB-CE2 4.23Å; V484-F813 HydrophobicContact CG2-CD2 3.95Å; V484-F813 HydrophobicContact CG2-CE2 3.55Å
485	Q	90.1	Very high	83.6	Confident	94 Å²	94	53.9 Å²	53.9	44%	0.439	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.8	178.9	-175.7	175.4	-23.7	0	0	109.2	N808 K810	Q485-N808 WeakPolarHBondContact CG-O 3.04Å; Q485-K810 HydrophobicContact CB-CG 4.36Å; Q485-K810 HydrophobicContact CG-CG 4.36Å
486	F	88	Confident	84.6	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.009	25%	0.254	C	S	.	.			trans	-70.6	146.4	175.2	-80.4	-111	0	0	0	110.2	F493 F530 Y646 C647 R809 V811	F486-F493 HydrophobicContact CD1-CD2 4.03Å; F486-F493 AromaticContact CD1-CE2 3.95Å; F486-F493 HydrophobicContact CD1-CE2 3.95Å; F486-F493 HydrophobicContact CE1-CE2 4.08Å; F486-F530 HydrophobicContact CB-CE1 4.29Å; F486-F530 AromaticContact CD1-CE1 3.91Å; F486-F530 HydrophobicContact CD1-CE1 3.91Å; F486-F530 HydrophobicContact CD1-CZ 4Å; F486-F530 AromaticContact CD2-CE1 3.52Å; F486-F530 HydrophobicContact CD2-CE1 3.52Å; F486-F530 HydrophobicContact CD2-CZ 4.01Å; F486-F530 HydrophobicContact CE1-CE1 4.05Å; F486-F530 HydrophobicContact CE1-CE2 4.43Å; F486-F530 AromaticContact CE1-CZ 3.68Å; F486-F530 HydrophobicContact CE1-CZ 3.68Å; F486-F530 AromaticContact CE2-CE1 3.72Å; F486-F530 HydrophobicContact CE2-CE1 3.72Å; F486-F530 AromaticContact CE2-CZ 3.73Å; F486-F530 HydrophobicContact CE2-CZ 3.73Å; F486-F530 HydrophobicContact CG-CD1 4.35Å; F486-F530 AromaticContact CG-CE1 3.63Å; F486-F530 HydrophobicContact CG-CE1 3.63Å; F486-F530 HydrophobicContact CG-CZ 4.14Å; F486-F530 AromaticContact CZ-CE1 3.97Å; F486-F530 HydrophobicContact CZ-CE1 3.97Å; F486-F530 AromaticContact CZ-CZ 3.55Å; F486-F530 HydrophobicContact CZ-CZ 3.55Å; F486-Y646 AromaticContact CE1-CD1 3.77Å; F486-Y646 HydrophobicContact CE1-CD1 3.77Å; F486-Y646 HydrophobicContact CE1-CE1 4.47Å; F486-C647 HydrophobicContact CD1-CB 4.37Å; F486-C647 HydrophobicContact CD2-CB 4.33Å; F486-C647 HydrophobicContact CE1-CB 3.97Å; F486-C647 HydrophobicContact CE2-CB 3.89Å; F486-C647 HydrophobicContact CZ-CB 3.7Å; F486-R809 HydrophobicContact CB-CB 4.01Å; F486-R809 PolarHBondContact N-O 2.82Å; F486-R809 VanDerWaalsContact N-O 3.1Å; F486-V811 HydrophobicContact CD2-CB 4.38Å; F486-V811 HydrophobicContact CD2-CG2 3.68Å; F486-V811 HydrophobicContact CE2-CB 3.95Å; F486-V811 HydrophobicContact CE2-CG2 3.41Å; F486-V811 VanDerWaalsContact CE2-CG2 3.41Å; F486-V811 HydrophobicContact CZ-CG2 4.4Å
487	P	84.7	Confident	85.6	Confident	17 Å²	17	42 Å²	42	11%	0.11	24%	0.238	C	C	.	.			trans	-61	144.9	-179.5	25.2	-34.1	0	0	0	111.6	C489 S650 R809	P487-C489 PolarHBondContact O-N 3.24Å; P487-S650 WeakPolarHBondContact CD-OG 3.36Å; P487-S650 WeakPolarHBondContact CG-OG 3.44Å; P487-R809 PolarHBondContact O-NH1 2.96Å
488	S	80.2	Confident	86.8	Confident	95 Å²	95	39 Å²	39	66%	0.664	22%	0.224	S	C	*	.	S	Bend	trans	-65.5	-26.4	176.8	-57.2	0	0	0	0	112.1	T490 R809	S488-T490 PolarHBondContact O-N 3.32Å; S488-R809 PolarHBondContact O-NH1 3.4Å
489	C	83.9	Confident	87.9	Confident	26 Å²	26	34.6 Å²	34.6	18%	0.176	19%	0.193	C	C	.	.			trans	-64.6	106.2	178.7	-173.5	0	0	0	0	110.8	P487 Q491 A492 F493	P487-C489 PolarHBondContact O-N 3.24Å; C489-Q491 VanDerWaalsContact C-N 3.29Å; C489-Q491 PolarHBondContact O-N 3.4Å; C489-A492 HydrophobicContact CB-CB 4.06Å; C489-F493 PolarHBondContact O-N 3.35Å
490	T	85.9	Confident	88.7	Confident	56 Å²	56	33.9 Å²	33.9	34%	0.344	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-33.4	178	-52.9	0	0	0	0	111.9	S488 F493 H494 L532 R809	S488-T490 PolarHBondContact O-N 3.32Å; T490-F493 WeakPolarHBondContact O-CB 3.43Å; T490-F493 PolarHBondContact O-N 2.87Å; T490-H494 PolarHBondContact O-CD2 3.12Å; T490-H494 PolarHBondContact O-N 3.48Å; T490-L532 HydrophobicContact CG2-CD1 4.4Å; T490-L532 HydrophobicContact CG2-CD2 3.54Å; T490-R809 PolarHBondContact OG1-NH2 3.26Å
491	Q	87	Confident	89	Confident	94 Å²	94	31.9 Å²	31.9	44%	0.439	17%	0.172	S	C	.	.	H	α-helix	trans	-63.7	-49.7	179.1	-172.1	58.6	33.7	0	0	111.3	C489 F493 H494 D495	C489-Q491 VanDerWaalsContact C-N 3.29Å; C489-Q491 PolarHBondContact O-N 3.4Å; Q491-F493 PolarHBondContact O-N 3.22Å; Q491-F493 VanDerWaalsContact O-N 3.16Å; Q491-H494 PolarHBondContact O-N 2.97Å; Q491-D495 WeakPolarHBondContact CG-OD2 3.25Å; Q491-D495 PolarHBondContact NE2-OD1 3.22Å; Q491-D495 PolarHBondContact O-N 3.14Å
492	A	88.5	Confident	89.3	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-34.1	176.6	0	0	0	0	0	112.7	C489 T496 L653	C489-A492 HydrophobicContact CB-CB 4.06Å; A492-T496 WeakPolarHBondContact O-CB 3.32Å; A492-T496 PolarHBondContact O-N 3.24Å; A492-T496 PolarHBondContact O-OG1 3.05Å; A492-L653 HydrophobicContact CB-CB 4.06Å
493	F	90.3	Very high	89.5	Confident	1 Å²	1	34 Å²	34	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-45	175.2	-175.9	-83.7	0	0	0	111.9	F486 C489 T490 Q491 G497 L526 P527 F530 L532 Y646	F486-F493 HydrophobicContact CD1-CD2 4.03Å; F486-F493 AromaticContact CD1-CE2 3.95Å; F486-F493 HydrophobicContact CD1-CE2 3.95Å; F486-F493 HydrophobicContact CE1-CE2 4.08Å; C489-F493 PolarHBondContact O-N 3.35Å; T490-F493 WeakPolarHBondContact O-CB 3.43Å; T490-F493 PolarHBondContact O-N 2.87Å; Q491-F493 PolarHBondContact O-N 3.22Å; Q491-F493 VanDerWaalsContact O-N 3.16Å; F493-G497 PolarHBondContact O-N 2.99Å; F493-L526 HydrophobicContact CZ-CB 4.28Å; F493-P527 HydrophobicContact CE1-CB 4.3Å; F493-P527 HydrophobicContact CE1-CG 4.14Å; F493-F530 AromaticContact CE2-CD2 3.57Å; F493-F530 HydrophobicContact CE2-CD2 3.57Å; F493-F530 AromaticContact CE2-CE2 3.67Å; F493-F530 HydrophobicContact CE2-CE2 3.67Å; F493-F530 HydrophobicContact CE2-CG 4.06Å; F493-F530 HydrophobicContact CE2-CZ 4.2Å; F493-F530 AromaticContact CZ-CD2 3.47Å; F493-F530 HydrophobicContact CZ-CD2 3.47Å; F493-F530 VanDerWaalsContact CZ-CD2 3.47Å; F493-F530 AromaticContact CZ-CE2 3.75Å; F493-F530 HydrophobicContact CZ-CE2 3.75Å; F493-F530 HydrophobicContact CZ-CG 4.25Å; F493-L532 HydrophobicContact CB-CD1 4.12Å; F493-L532 HydrophobicContact CD1-CD1 3.39Å; F493-L532 HydrophobicContact CD2-CD1 4.13Å; F493-L532 HydrophobicContact CE1-CD1 3.78Å; F493-L532 HydrophobicContact CE2-CD1 4.44Å; F493-L532 HydrophobicContact CG-CD1 3.6Å; F493-L532 HydrophobicContact CZ-CD1 4.29Å; F493-Y646 HydrophobicContact CD2-CD1 4.49Å; F493-Y646 AromaticContact CD2-CE1 3.66Å; F493-Y646 HydrophobicContact CD2-CE1 3.66Å; F493-Y646 HydrophobicContact CE1-CE1 4.37Å; F493-Y646 HydrophobicContact CE2-CD1 4.23Å; F493-Y646 AromaticContact CE2-CE1 3.52Å; F493-Y646 HydrophobicContact CE2-CE1 3.52Å; F493-Y646 HydrophobicContact CG-CE1 4.16Å; F493-Y646 AromaticContact CZ-CE1 3.9Å; F493-Y646 HydrophobicContact CZ-CE1 3.9Å; F493-Y646 PolarHBondContact O-OH 3.09Å
494	H	90.5	Very high	89.4	Confident	45 Å²	45	29.2 Å²	29.2	21%	0.208	16%	0.155	C	C	.	.	H	α-helix	trans	-70.5	-40.7	177.8	-71	-64.8	0	0	0	112.1	T490 Q491 T496 G497 E498 K533	T490-H494 PolarHBondContact O-CD2 3.12Å; T490-H494 PolarHBondContact O-N 3.48Å; Q491-H494 PolarHBondContact O-N 2.97Å; H494-T496 VanDerWaalsContact C-N 3.29Å; H494-T496 PolarHBondContact O-N 2.81Å; H494-G497 CarbonylContact O-C 3.55Å; H494-G497 WeakPolarHBondContact O-CA 3.29Å; H494-G497 PolarHBondContact O-N 3.44Å; H494-E498 PolarHBondContact O-N 3.42Å; H494-K533 PolarHBondContact CE1-O 2.75Å; H494-K533 VanDerWaalsContact CE1-O 3.29Å
495	D	92	Very high	89.3	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-36.3	177.4	-61.2	-28.9	0	0	0	112.3	Q491 G497 E498 L499 L653 Y697 L701	Q491-D495 WeakPolarHBondContact CG-OD2 3.25Å; Q491-D495 PolarHBondContact NE2-OD1 3.22Å; Q491-D495 PolarHBondContact O-N 3.14Å; D495-G497 VanDerWaalsContact C-N 3.27Å; D495-G497 PolarHBondContact O-N 3.28Å; D495-E498 PolarHBondContact O-N 2.88Å; D495-L499 WeakPolarHBondContact O-CG 3.47Å; D495-L499 PolarHBondContact O-N 2.7Å; D495-L653 HydrophobicContact CB-CD1 4Å; D495-Y697 WeakPolarHBondContact OD2-CE1 3.27Å; D495-Y697 VanDerWaalsContact OD2-CZ 3.28Å; D495-Y697 PolarHBondContact OD2-OH 3.4Å; D495-L701 HydrophobicContact CB-CD1 4.24Å; D495-L701 HydrophobicContact CB-CD2 4.27Å
496	T	93.5	Very high	89.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.2	-46.2	172.2	-60	0	0	0	0	110.4	A492 H494 V500 Y646 L649 S650 L653 M742	A492-T496 WeakPolarHBondContact O-CB 3.32Å; A492-T496 PolarHBondContact O-N 3.24Å; A492-T496 PolarHBondContact O-OG1 3.05Å; H494-T496 VanDerWaalsContact C-N 3.29Å; H494-T496 PolarHBondContact O-N 2.81Å; T496-V500 VanDerWaalsContact O-CG2 3.3Å; T496-V500 WeakPolarHBondContact O-CG2 3.33Å; T496-V500 PolarHBondContact O-N 2.92Å; T496-Y646 HydrophobicContact CG2-CD1 3.74Å; T496-Y646 HydrophobicContact CG2-CD2 3.95Å; T496-Y646 HydrophobicContact CG2-CE1 3.64Å; T496-Y646 HydrophobicContact CG2-CE2 3.84Å; T496-Y646 HydrophobicContact CG2-CG 3.91Å; T496-L649 HydrophobicContact CG2-CB 4Å; T496-L649 HydrophobicContact CG2-CD2 3.83Å; T496-L649 HydrophobicContact CG2-CG 3.88Å; T496-S650 VanDerWaalsContact OG1-CA 3.31Å; T496-S650 WeakPolarHBondContact OG1-CA 3.46Å; T496-S650 WeakPolarHBondContact OG1-CB 3.3Å; T496-L653 WeakPolarHBondContact OG1-CD1 3.38Å; T496-M742 HydrophobicContact CG2-CE 4.25Å
497	G	91.7	Very high	89.1	Confident	3 Å²	3	36.5 Å²	36.5	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-39.2	176.5	0	0	0	0	0	112.7	F493 H494 D495 V500 V501 Y646	F493-G497 PolarHBondContact O-N 2.99Å; H494-G497 CarbonylContact O-C 3.55Å; H494-G497 WeakPolarHBondContact O-CA 3.29Å; H494-G497 PolarHBondContact O-N 3.44Å; D495-G497 VanDerWaalsContact C-N 3.27Å; D495-G497 PolarHBondContact O-N 3.28Å; G497-V500 PolarHBondContact O-N 3.29Å; G497-V501 WeakPolarHBondContact O-CB 3.48Å; G497-V501 VanDerWaalsContact O-CG2 3.28Å; G497-V501 WeakPolarHBondContact O-CG2 3.46Å; G497-V501 PolarHBondContact O-N 2.94Å; G497-Y646 PolarHBondContact N-OH 3.5Å
498	E	91.7	Very high	89	Confident	82 Å²	82	41.6 Å²	41.6	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-62.4	-44.2	175.4	-70.3	-151.4	155	0	0	113.1	H494 D495 V500 V501 H502 K705	H494-E498 PolarHBondContact O-N 3.42Å; D495-E498 PolarHBondContact O-N 2.88Å; E498-V500 VanDerWaalsContact C-N 3.34Å; E498-V500 PolarHBondContact O-N 2.85Å; E498-V501 PolarHBondContact O-N 2.95Å; E498-H502 WeakPolarHBondContact O-CB 3.17Å; E498-H502 PolarHBondContact O-N 3.32Å; E498-K705 IonicContact OE2-NZ 2.83Å; E498-K705 PolarHBondContact OE2-NZ 3.25Å
499	L	93.3	Very high	89	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-42.2	179.7	-72.9	177	0	0	0	111.6	D495 H502 Y503 L653 L701 T704 K705 L708 V739	D495-L499 WeakPolarHBondContact O-CG 3.47Å; D495-L499 PolarHBondContact O-N 2.7Å; L499-H502 PolarHBondContact O-N 2.94Å; L499-Y503 WeakPolarHBondContact O-CB 3.35Å; L499-Y503 PolarHBondContact O-N 3.27Å; L499-L653 HydrophobicContact CD1-CD1 3.92Å; L499-L653 HydrophobicContact CD1-CD2 4.16Å; L499-L701 HydrophobicContact CD1-CD1 3.93Å; L499-L701 HydrophobicContact CD2-CD1 3.82Å; L499-L701 HydrophobicContact CG-CD1 3.93Å; L499-T704 HydrophobicContact CD1-CG2 4.44Å; L499-T704 HydrophobicContact CD2-CG2 4.27Å; L499-K705 HydrophobicContact CD2-CG 3.73Å; L499-L708 HydrophobicContact CB-CD1 4.4Å; L499-L708 HydrophobicContact CD2-CD1 3.93Å; L499-V739 HydrophobicContact CB-CG2 4.45Å
500	V	92.8	Very high	88.9	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-45.4	177.5	175.8	0	0	0	0	110.6	T496 G497 E498 Y503 M504 M742 L746	T496-V500 VanDerWaalsContact O-CG2 3.3Å; T496-V500 WeakPolarHBondContact O-CG2 3.33Å; T496-V500 PolarHBondContact O-N 2.92Å; G497-V500 PolarHBondContact O-N 3.29Å; E498-V500 VanDerWaalsContact C-N 3.34Å; E498-V500 PolarHBondContact O-N 2.85Å; V500-Y503 PolarHBondContact O-N 2.88Å; V500-M504 VanDerWaalsContact O-CB 3.32Å; V500-M504 WeakPolarHBondContact O-CB 3.27Å; V500-M504 PolarHBondContact O-N 2.82Å; V500-M742 HydrophobicContact CG2-CB 4.36Å; V500-M742 HydrophobicContact CG2-CE 3.6Å; V500-M742 HydrophobicContact CG2-SD 4.14Å; V500-L746 HydrophobicContact CG1-CD2 4.09Å
501	V	91.6	Very high	88.8	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-39	177.5	170.7	0	0	0	0	111.4	G497 E498 M504 K505 A519 V522 K523 E541	G497-V501 WeakPolarHBondContact O-CB 3.48Å; G497-V501 VanDerWaalsContact O-CG2 3.28Å; G497-V501 WeakPolarHBondContact O-CG2 3.46Å; G497-V501 PolarHBondContact O-N 2.94Å; E498-V501 PolarHBondContact O-N 2.95Å; V501-M504 HydrophobicContact CG1-CE 4.17Å; V501-M504 HydrophobicContact CG2-CE 4.38Å; V501-M504 PolarHBondContact O-N 3.45Å; V501-K505 HydrophobicContact CG1-CD 4.36Å; V501-K505 HydrophobicContact CG1-CG 4.5Å; V501-K505 WeakPolarHBondContact O-CG 3.3Å; V501-K505 PolarHBondContact O-N 2.93Å; V501-A519 HydrophobicContact CG2-CB 4.5Å; V501-V522 HydrophobicContact CG2-CB 4.32Å; V501-V522 HydrophobicContact CG2-CG1 4.19Å; V501-K523 HydrophobicContact CG2-CG 4.5Å; V501-E541 WeakPolarHBondContact CG1-OE1 3.48Å
502	H	91	Very high	88.6	Confident	42 Å²	42	42.6 Å²	42.6	19%	0.194	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-46.7	176.1	-176.7	-106.1	0	0	0	111.5	E498 L499 K505 R506 K705 D709	E498-H502 WeakPolarHBondContact O-CB 3.17Å; E498-H502 PolarHBondContact O-N 3.32Å; L499-H502 PolarHBondContact O-N 2.94Å; H502-K505 PolarHBondContact O-N 3.04Å; H502-R506 PolarHBondContact NE2-NH2 3.22Å; H502-K705 PolarHBondContact CE1-O 3.48Å; H502-D709 IonicContact CE1-OD1 3.49Å; H502-D709 PolarHBondContact CE1-OD1 2.92Å; H502-D709 IonicContact CE1-OD2 3.79Å; H502-D709 IonicContact ND1-OD1 3.93Å; H502-D709 IonicContact NE2-OD1 3.2Å
503	Y	91.6	Very high	88.2	Confident	37 Å²	37	46.6 Å²	46.6	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-44	175.5	-174.1	-99.5	0	0	0	112.2	L499 V500 K505 R506 Q507 L708 V739 H740 Y743	L499-Y503 WeakPolarHBondContact O-CB 3.35Å; L499-Y503 PolarHBondContact O-N 3.27Å; V500-Y503 PolarHBondContact O-N 2.88Å; Y503-K505 PolarHBondContact O-N 3.19Å; Y503-R506 PolarHBondContact O-N 3.04Å; Y503-Q507 HydrophobicContact CE1-CG 4.45Å; Y503-Q507 PolarHBondContact OH-NE2 3.31Å; Y503-L708 HydrophobicContact CD2-CB 4.28Å; Y503-L708 HydrophobicContact CD2-CD2 4.07Å; Y503-V739 HydrophobicContact CD1-CG1 4.16Å; Y503-V739 HydrophobicContact CD2-CG1 4.31Å; Y503-V739 HydrophobicContact CG-CG1 3.75Å; Y503-H740 HydrophobicContact CE1-CB 4.38Å; Y503-H740 AromaticContact CE1-ND1 3.73Å; Y503-H740 AromaticContact CZ-ND1 3.6Å; Y503-H740 PolarHBondContact OH-ND1 3.39Å; Y503-Y743 HydrophobicContact CD1-CD1 4.23Å; Y503-Y743 AromaticContact CD1-CG 3.99Å; Y503-Y743 HydrophobicContact CD1-CG 3.99Å; Y503-Y743 AromaticContact CE1-CD1 3.83Å; Y503-Y743 HydrophobicContact CE1-CD1 3.83Å; Y503-Y743 HydrophobicContact CE1-CE1 4.49Å; Y503-Y743 HydrophobicContact CE1-CG 4.07Å
504	M	90.4	Very high	88	Confident	3 Å²	3	50 Å²	50	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-40.7	178.9	175.3	-173.1	72.8	0	0	113.1	V500 V501 R506 Q507 K515 M518 A519 Y743	V500-M504 VanDerWaalsContact O-CB 3.32Å; V500-M504 WeakPolarHBondContact O-CB 3.27Å; V500-M504 PolarHBondContact O-N 2.82Å; V501-M504 HydrophobicContact CG1-CE 4.17Å; V501-M504 HydrophobicContact CG2-CE 4.38Å; V501-M504 PolarHBondContact O-N 3.45Å; M504-R506 PolarHBondContact O-N 3.31Å; M504-R506 VanDerWaalsContact O-N 3.15Å; M504-Q507 WeakPolarHBondContact O-CB 3.41Å; M504-Q507 PolarHBondContact O-N 3.32Å; M504-Q507 VanDerWaalsContact O-N 3.12Å; M504-K515 HydrophobicContact CE-CB 4.37Å; M504-K515 WeakPolarHBondContact CE-O 3.49Å; M504-K515 HydrophobicContact CG-CG 4.25Å; M504-K515 HydrophobicContact SD-CB 4.44Å; M504-M518 HydrophobicContact CE-CB 4.3Å; M504-M518 HydrophobicContact CG-CE 4Å; M504-M518 HydrophobicContact CG-SD 4.5Å; M504-M518 HydrophobicContact SD-CB 3.3Å; M504-M518 WeakPolarHBondContact SD-CB 3.4Å; M504-M518 HydrophobicContact SD-CE 3.62Å; M504-M518 HydrophobicContact SD-CG 4.11Å; M504-M518 HydrophobicContact SD-SD 3.81Å; M504-A519 HydrophobicContact CE-CB 4Å; M504-Y743 HydrophobicContact CB-CD2 4.05Å; M504-Y743 HydrophobicContact CB-CE2 4.38Å; M504-Y743 HydrophobicContact CG-CD2 4.2Å; M504-Y743 HydrophobicContact CG-CE2 4.17Å
505	K	87.4	Confident	87.9	Confident	85 Å²	85	49.2 Å²	49.2	37%	0.37	25%	0.25	S	C	.	.	H	α-helix	trans	-54.9	-35.2	-178.8	-81.2	177.7	-179.9	-179.7	0	111.9	V501 H502 Y503 K515 S538 E541	V501-K505 HydrophobicContact CG1-CD 4.36Å; V501-K505 HydrophobicContact CG1-CG 4.5Å; V501-K505 WeakPolarHBondContact O-CG 3.3Å; V501-K505 PolarHBondContact O-N 2.93Å; H502-K505 PolarHBondContact O-N 3.04Å; Y503-K505 PolarHBondContact O-N 3.19Å; K505-K515 PolarHBondContact O-NZ 2.8Å; K505-S538 PolarHBondContact NZ-OG 2.87Å; K505-E541 WeakPolarHBondContact CE-OE1 3.44Å; K505-E541 IonicContact NZ-OE1 2.87Å; K505-E541 PolarHBondContact NZ-OE1 2.97Å
506	R	86	Confident	87.5	Confident	126 Å²	126	51.6 Å²	51.6	48%	0.475	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.7	-176.8	-62.7	-178.6	-175	-113.2	5.2	115	H502 Y503 M504 T508 D709	H502-R506 PolarHBondContact NE2-NH2 3.22Å; Y503-R506 PolarHBondContact O-N 3.04Å; M504-R506 PolarHBondContact O-N 3.31Å; M504-R506 VanDerWaalsContact O-N 3.15Å; R506-T508 PolarHBondContact O-N 2.84Å; R506-D709 VanDerWaalsContact CD-OD1 3.27Å; R506-D709 WeakPolarHBondContact CD-OD1 3.44Å; R506-D709 IonicContact CZ-OD1 3.5Å; R506-D709 IonicContact CZ-OD2 3.46Å; R506-D709 IonicContact NE-OD1 2.91Å; R506-D709 PolarHBondContact NE-OD1 3.1Å; R506-D709 IonicContact NE-OD2 2.83Å; R506-D709 IonicContact NH1-OD1 2.73Å; R506-D709 PolarHBondContact NH1-OD1 2.9Å; R506-D709 IonicContact NH1-OD2 2.74Å; R506-D709 PolarHBondContact NH1-OD2 3.05Å; R506-D709 IonicContact NH2-OD1 3.44Å; R506-D709 PolarHBondContact NH2-OD1 3.08Å; R506-D709 IonicContact NH2-OD2 3.85Å; R506-D709 PolarHBondContact NH2-OD2 2.9Å
507	Q	87.6	Confident	87	Confident	45 Å²	45	53.3 Å²	53.3	21%	0.21	27%	0.267	C	S	.	.			trans	-71.1	113.1	179.5	-59.1	-62.7	-38	0	0	109.6	Y503 M504 N509 K515 Y743	Y503-Q507 HydrophobicContact CE1-CG 4.45Å; Y503-Q507 PolarHBondContact OH-NE2 3.31Å; M504-Q507 WeakPolarHBondContact O-CB 3.41Å; M504-Q507 PolarHBondContact O-N 3.32Å; M504-Q507 VanDerWaalsContact O-N 3.12Å; Q507-N509 VanDerWaalsContact C-N 3.31Å; Q507-N509 PolarHBondContact O-N 2.8Å; Q507-K515 WeakPolarHBondContact O-CE 3.47Å; Q507-K515 PolarHBondContact O-NZ 3.04Å; Q507-Y743 HydrophobicContact CB-CE2 4.32Å; Q507-Y743 WeakPolarHBondContact CB-OH 3.33Å; Q507-Y743 HydrophobicContact CG-CE1 3.95Å; Q507-Y743 HydrophobicContact CG-CE2 3.86Å
508	T	81.8	Confident	86.8	Confident	124 Å²	124	53.1 Å²	53.1	76%	0.761	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.9	-177.1	50.4	0	0	0	0	113.3	R506 V510	R506-T508 PolarHBondContact O-N 2.84Å; T508-V510 VanDerWaalsContact C-N 3.34Å; T508-V510 PolarHBondContact O-N 3.12Å
509	N	80.7	Confident	86.6	Confident	143 Å²	143	49.3 Å²	49.3	77%	0.765	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	4.5	-167.4	-57.3	-8.7	0	0	0	113.6	Q507	Q507-N509 VanDerWaalsContact C-N 3.31Å; Q507-N509 PolarHBondContact O-N 2.8Å
510	V	81.7	Confident	86.2	Confident	12 Å²	12	49.8 Å²	49.8	7%	0.073	25%	0.25	C	C	.	.	S	Bend	trans	-114.5	130.7	-177	177.6	0	0	0	0	111	T508 Y514 K515 M518 Y743 Y747	T508-V510 VanDerWaalsContact C-N 3.34Å; T508-V510 PolarHBondContact O-N 3.12Å; V510-Y514 HydrophobicContact CG1-CD2 4.37Å; V510-K515 HydrophobicContact CB-CG 4.49Å; V510-K515 HydrophobicContact CG1-CG 4.07Å; V510-K515 WeakPolarHBondContact O-CE 3.48Å; V510-M518 HydrophobicContact CG1-CE 3.71Å; V510-Y743 HydrophobicContact CG2-CE2 4.48Å; V510-Y743 WeakPolarHBondContact CG2-OH 3.34Å; V510-Y747 HydrophobicContact CB-CE2 4.39Å; V510-Y747 HydrophobicContact CG1-CD2 3.96Å; V510-Y747 HydrophobicContact CG1-CE2 3.85Å; V510-Y747 HydrophobicContact CG2-CD2 3.82Å; V510-Y747 HydrophobicContact CG2-CE2 3.74Å
511	G	82.8	Confident	85.9	Confident	41 Å²	41	49.9 Å²	49.9	42%	0.423	25%	0.25	S	S	.	.			trans	-57.7	146.3	176.9	0	0	0	0	0	113.1	L513 Y514 K515	G511-L513 VanDerWaalsContact C-N 3.28Å; G511-L513 PolarHBondContact O-N 2.88Å; G511-Y514 PolarHBondContact O-N 3.37Å; G511-K515 PolarHBondContact O-N 2.87Å; G511-K515 VanDerWaalsContact O-N 3.12Å
512	L	83	Confident	85.8	Confident	97 Å²	97	49.8 Å²	49.8	51%	0.508	25%	0.25	S	C	.	.	H	α-helix	trans	-58.1	-37.2	-177.7	-68.4	179.8	0	0	0	113.1	K515 R516 L544	L512-K515 WeakPolarHBondContact O-CB 3.23Å; L512-K515 PolarHBondContact O-N 3.47Å; L512-R516 PolarHBondContact O-N 3.39Å; L512-L544 HydrophobicContact CB-CD2 3.91Å; L512-L544 HydrophobicContact CD1-CD2 4.2Å; L512-L544 HydrophobicContact CD2-CD2 3.72Å; L512-L544 HydrophobicContact CG-CD2 4.13Å
513	L	81.4	Confident	85.5	Confident	84 Å²	84	48.8 Å²	48.8	44%	0.44	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-46.7	176.6	-65.1	179	0	0	0	111.9	G511 K515 R516 Q517 P545	G511-L513 VanDerWaalsContact C-N 3.28Å; G511-L513 PolarHBondContact O-N 2.88Å; L513-K515 VanDerWaalsContact C-N 3.33Å; L513-K515 PolarHBondContact O-N 2.86Å; L513-R516 WeakPolarHBondContact O-CB 3.12Å; L513-R516 PolarHBondContact O-N 3.46Å; L513-Q517 WeakPolarHBondContact O-CG 3.46Å; L513-Q517 PolarHBondContact O-N 3.02Å; L513-P545 HydrophobicContact CD2-CG 4.39Å; L513-P545 VanDerWaalsContact CD2-O 3.22Å; L513-P545 WeakPolarHBondContact CD2-O 3.32Å
514	Y	85.6	Confident	85	Confident	71 Å²	71	48 Å²	48	28%	0.278	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-39.8	176.9	-60.7	-41.2	0	0	0	111.4	V510 G511 R516 Q517 M518 Y747 V750	V510-Y514 HydrophobicContact CG1-CD2 4.37Å; G511-Y514 PolarHBondContact O-N 3.37Å; Y514-R516 VanDerWaalsContact C-N 3.32Å; Y514-R516 PolarHBondContact O-N 3.08Å; Y514-Q517 PolarHBondContact O-N 3.47Å; Y514-M518 VanDerWaalsContact O-CB 3.31Å; Y514-M518 WeakPolarHBondContact O-CB 3.43Å; Y514-M518 WeakPolarHBondContact O-CE 3.27Å; Y514-M518 WeakPolarHBondContact O-CG 3.31Å; Y514-M518 PolarHBondContact O-N 3.34Å; Y514-Y747 HydrophobicContact CD2-CE2 4.24Å; Y514-V750 HydrophobicContact CD1-CG1 3.5Å; Y514-V750 HydrophobicContact CE1-CG1 4.33Å; Y514-V750 HydrophobicContact CG-CG1 4.15Å
515	K	87.3	Confident	84.6	Confident	29 Å²	29	48 Å²	48	13%	0.126	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-42.2	173.7	-68	-174.3	179.1	-177.4	0	112.4	M504 K505 Q507 V510 G511 L512 L513 A519 L544	M504-K515 HydrophobicContact CE-CB 4.37Å; M504-K515 WeakPolarHBondContact CE-O 3.49Å; M504-K515 HydrophobicContact CG-CG 4.25Å; M504-K515 HydrophobicContact SD-CB 4.44Å; K505-K515 PolarHBondContact O-NZ 2.8Å; Q507-K515 WeakPolarHBondContact O-CE 3.47Å; Q507-K515 PolarHBondContact O-NZ 3.04Å; V510-K515 HydrophobicContact CB-CG 4.49Å; V510-K515 HydrophobicContact CG1-CG 4.07Å; V510-K515 WeakPolarHBondContact O-CE 3.48Å; G511-K515 PolarHBondContact O-N 2.87Å; G511-K515 VanDerWaalsContact O-N 3.12Å; L512-K515 WeakPolarHBondContact O-CB 3.23Å; L512-K515 PolarHBondContact O-N 3.47Å; L513-K515 VanDerWaalsContact C-N 3.33Å; L513-K515 PolarHBondContact O-N 2.86Å; K515-A519 WeakPolarHBondContact O-CB 3.35Å; K515-A519 PolarHBondContact O-N 2.88Å; K515-L544 HydrophobicContact CB-CD1 4.5Å
516	R	83.5	Confident	84.5	Confident	55 Å²	55	44 Å²	44	21%	0.208	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-52.4	175.9	-178.2	172.6	164.2	-176.6	-5.7	111.1	L512 L513 Y514 M518 A519 I520 L544 A546	L512-R516 PolarHBondContact O-N 3.39Å; L513-R516 WeakPolarHBondContact O-CB 3.12Å; L513-R516 PolarHBondContact O-N 3.46Å; Y514-R516 VanDerWaalsContact C-N 3.32Å; Y514-R516 PolarHBondContact O-N 3.08Å; R516-M518 VanDerWaalsContact C-N 3.32Å; R516-M518 PolarHBondContact O-N 3.22Å; R516-A519 PolarHBondContact O-N 3.4Å; R516-A519 VanDerWaalsContact O-N 3.14Å; R516-I520 HydrophobicContact CG-CD1 3.66Å; R516-I520 HydrophobicContact CG-CG1 4.36Å; R516-I520 VanDerWaalsContact O-CG1 3.24Å; R516-I520 WeakPolarHBondContact O-CG1 3.45Å; R516-I520 PolarHBondContact O-N 3.03Å; R516-L544 HydrophobicContact CB-CB 4Å; R516-L544 HydrophobicContact CB-CD1 3.74Å; R516-L544 WeakPolarHBondContact CD-O 3.43Å; R516-L544 HydrophobicContact CG-CB 4.4Å; R516-L544 PolarHBondContact NH1-O 3.42Å; R516-A546 VanDerWaalsContact NH1-N 3.15Å
517	Q	84.5	Confident	84.4	Confident	35 Å²	35	38 Å²	38	16%	0.164	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-45.5	179.8	-72.9	171.5	-26.6	0	0	111.8	L513 Y514 I520 I521 V750	L513-Q517 WeakPolarHBondContact O-CG 3.46Å; L513-Q517 PolarHBondContact O-N 3.02Å; Y514-Q517 PolarHBondContact O-N 3.47Å; Q517-I520 PolarHBondContact O-N 3.43Å; Q517-I521 WeakPolarHBondContact O-CG1 3.47Å; Q517-I521 PolarHBondContact O-N 2.87Å; Q517-V750 HydrophobicContact CB-CG1 3.75Å; Q517-V750 HydrophobicContact CB-CG2 4.22Å
518	M	87.5	Confident	84	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-43.7	175.7	-72.5	-166.7	-85	0	0	112.8	M504 V510 Y514 R516 I520 I521 V522 Y743 L746 Y747 V750	M504-M518 HydrophobicContact CE-CB 4.3Å; M504-M518 HydrophobicContact CG-CE 4Å; M504-M518 HydrophobicContact CG-SD 4.5Å; M504-M518 HydrophobicContact SD-CB 3.3Å; M504-M518 WeakPolarHBondContact SD-CB 3.4Å; M504-M518 HydrophobicContact SD-CE 3.62Å; M504-M518 HydrophobicContact SD-CG 4.11Å; M504-M518 HydrophobicContact SD-SD 3.81Å; V510-M518 HydrophobicContact CG1-CE 3.71Å; Y514-M518 VanDerWaalsContact O-CB 3.31Å; Y514-M518 WeakPolarHBondContact O-CB 3.43Å; Y514-M518 WeakPolarHBondContact O-CE 3.27Å; Y514-M518 WeakPolarHBondContact O-CG 3.31Å; Y514-M518 PolarHBondContact O-N 3.34Å; R516-M518 VanDerWaalsContact C-N 3.32Å; R516-M518 PolarHBondContact O-N 3.22Å; M518-I520 VanDerWaalsContact C-N 3.33Å; M518-I520 PolarHBondContact O-N 3.47Å; M518-I521 PolarHBondContact O-N 2.73Å; M518-V522 WeakPolarHBondContact O-CG2 3.43Å; M518-V522 PolarHBondContact O-N 3.22Å; M518-V522 VanDerWaalsContact O-N 3.16Å; M518-Y743 HydrophobicContact CE-CE2 4.42Å; M518-L746 HydrophobicContact CB-CD2 3.69Å; M518-L746 HydrophobicContact CB-CG 3.93Å; M518-L746 HydrophobicContact CG-CD2 3.99Å; M518-L746 HydrophobicContact CG-CG 3.7Å; M518-L746 HydrophobicContact SD-CB 4.24Å; M518-L746 HydrophobicContact SD-CD2 4.12Å; M518-L746 HydrophobicContact SD-CG 3.91Å; M518-Y747 HydrophobicContact CE-CD2 4.3Å; M518-V750 HydrophobicContact CG-CB 4.12Å; M518-V750 HydrophobicContact CG-CG1 4.46Å; M518-V750 HydrophobicContact CG-CG2 3.63Å
519	A	87.4	Confident	83.8	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-42.8	177.3	0	0	0	0	0	111.8	V501 M504 K515 R516 V522 K523 L537 E541	V501-A519 HydrophobicContact CG2-CB 4.5Å; M504-A519 HydrophobicContact CE-CB 4Å; K515-A519 WeakPolarHBondContact O-CB 3.35Å; K515-A519 PolarHBondContact O-N 2.88Å; R516-A519 PolarHBondContact O-N 3.4Å; R516-A519 VanDerWaalsContact O-N 3.14Å; A519-V522 PolarHBondContact O-N 3.16Å; A519-K523 WeakPolarHBondContact O-CB 3.36Å; A519-K523 PolarHBondContact O-N 2.97Å; A519-L537 HydrophobicContact CB-CD2 4.37Å; A519-E541 HydrophobicContact CB-CG 4.24Å
520	I	84.3	Confident	83.7	Confident	10 Å²	10	24 Å²	24	5%	0.051	13%	0.127	C	C	.	.	H	α-helix	trans	-71.5	-37.1	-178	-56.9	162.4	0	0	0	111.3	R516 Q517 M518 V522 V524 M525 L537 L618 L621	R516-I520 HydrophobicContact CG-CD1 3.66Å; R516-I520 HydrophobicContact CG-CG1 4.36Å; R516-I520 VanDerWaalsContact O-CG1 3.24Å; R516-I520 WeakPolarHBondContact O-CG1 3.45Å; R516-I520 PolarHBondContact O-N 3.03Å; Q517-I520 PolarHBondContact O-N 3.43Å; M518-I520 VanDerWaalsContact C-N 3.33Å; M518-I520 PolarHBondContact O-N 3.47Å; I520-V522 VanDerWaalsContact C-N 3.3Å; I520-V522 PolarHBondContact O-N 3.19Å; I520-V524 HydrophobicContact CG2-CB 3.73Å; I520-V524 HydrophobicContact CG2-CG2 3.81Å; I520-V524 WeakPolarHBondContact O-CA 3.14Å; I520-V524 WeakPolarHBondContact O-CB 3.36Å; I520-V524 PolarHBondContact O-N 3.43Å; I520-M525 PolarHBondContact O-N 2.85Å; I520-L537 HydrophobicContact CG1-CD1 3.91Å; I520-L537 HydrophobicContact CG1-CD2 4.19Å; I520-L618 HydrophobicContact CB-CD2 3.22Å; I520-L618 HydrophobicContact CB-CG 4Å; I520-L618 HydrophobicContact CD1-CB 4.21Å; I520-L618 HydrophobicContact CD1-CD2 3.7Å; I520-L618 HydrophobicContact CD1-CG 4.38Å; I520-L618 HydrophobicContact CG1-CD2 4.05Å; I520-L618 HydrophobicContact CG2-CB 4Å; I520-L618 HydrophobicContact CG2-CD1 4.37Å; I520-L618 HydrophobicContact CG2-CD2 3.1Å; I520-L618 HydrophobicContact CG2-CG 3.27Å; I520-L621 HydrophobicContact CG2-CD1 3.74Å
521	I	86.9	Confident	83.4	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	14%	0.14	C	C	.	.	I	π-helix	trans	-53.6	-51.1	170.6	-73.7	170.2	0	0	0	109.9	Q517 M518 M525 L526 W639 L746 I749 V750	Q517-I521 WeakPolarHBondContact O-CG1 3.47Å; Q517-I521 PolarHBondContact O-N 2.87Å; M518-I521 PolarHBondContact O-N 2.73Å; I521-M525 HydrophobicContact CG2-CE 3.75Å; I521-M525 WeakPolarHBondContact O-CB 3.38Å; I521-M525 PolarHBondContact O-N 3.39Å; I521-L526 WeakPolarHBondContact O-CG 3.34Å; I521-L526 PolarHBondContact O-N 3.44Å; I521-W639 HydrophobicContact CG2-CH2 4.01Å; I521-W639 HydrophobicContact CG2-CZ3 4.33Å; I521-L746 HydrophobicContact CB-CD1 4.3Å; I521-L746 HydrophobicContact CD1-CD1 4.41Å; I521-L746 HydrophobicContact CG2-CD1 3.74Å; I521-I749 HydrophobicContact CD1-CG2 4.08Å; I521-V750 HydrophobicContact CD1-CG2 3.53Å
522	V	88.5	Confident	83.2	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.012	12%	0.124	C	C	.	.	I	π-helix	trans	-71.6	-45.9	-174.8	173.9	0	0	0	0	112.9	V501 M518 A519 I520 F642 Y646 L746	V501-V522 HydrophobicContact CG2-CB 4.32Å; V501-V522 HydrophobicContact CG2-CG1 4.19Å; M518-V522 WeakPolarHBondContact O-CG2 3.43Å; M518-V522 PolarHBondContact O-N 3.22Å; M518-V522 VanDerWaalsContact O-N 3.16Å; A519-V522 PolarHBondContact O-N 3.16Å; I520-V522 VanDerWaalsContact C-N 3.3Å; I520-V522 PolarHBondContact O-N 3.19Å; V522-F642 HydrophobicContact CG2-CZ 4.1Å; V522-Y646 HydrophobicContact CG1-CE2 4.43Å; V522-L746 HydrophobicContact CG2-CD1 4.3Å; V522-L746 HydrophobicContact CG2-CD2 3.62Å
523	K	85.2	Confident	82.9	Confident	20 Å²	20	29.4 Å²	29.4	9%	0.087	14%	0.137	C	C	.	.	I	π-helix	trans	-92.1	-24.6	-170.6	-72.4	-176.9	168.5	-174.8	0	114.6	V501 A519 P527 A535 L537 E541	V501-K523 HydrophobicContact CG2-CG 4.5Å; A519-K523 WeakPolarHBondContact O-CB 3.36Å; A519-K523 PolarHBondContact O-N 2.97Å; K523-P527 WeakPolarHBondContact O-CG 3.4Å; K523-A535 HydrophobicContact CB-CB 4.1Å; K523-A535 HydrophobicContact CG-CB 4.26Å; K523-A535 PolarHBondContact O-N 2.93Å; K523-L537 HydrophobicContact CB-CD2 4.13Å; K523-L537 HydrophobicContact CD-CD2 4.06Å; K523-E541 VanDerWaalsContact NZ-CD 3.3Å; K523-E541 IonicContact NZ-OE1 2.66Å; K523-E541 PolarHBondContact NZ-OE1 3.47Å; K523-E541 IonicContact NZ-OE2 3.97Å; K523-E541 PolarHBondContact NZ-OE2 3.35Å
524	V	81	Confident	82.7	Confident	22 Å²	22	29 Å²	29	13%	0.133	14%	0.139	C	C	.	.	I	π-helix	trans	-121.2	-38.6	-169.6	-161.3	0	0	0	0	112.2	I520 P528 P534 L537 L621	I520-V524 HydrophobicContact CG2-CB 3.73Å; I520-V524 HydrophobicContact CG2-CG2 3.81Å; I520-V524 WeakPolarHBondContact O-CA 3.14Å; I520-V524 WeakPolarHBondContact O-CB 3.36Å; I520-V524 PolarHBondContact O-N 3.43Å; V524-P528 WeakPolarHBondContact O-CD 3.4Å; V524-P528 WeakPolarHBondContact O-CG 3.44Å; V524-P534 HydrophobicContact CG1-CB 4.13Å; V524-L537 HydrophobicContact CG2-CD1 4.11Å; V524-L537 HydrophobicContact CG2-CD2 3.92Å; V524-L537 HydrophobicContact CG2-CG 3.92Å; V524-L621 HydrophobicContact CB-CD1 3.94Å; V524-L621 HydrophobicContact CB-CD2 4.23Å; V524-L621 HydrophobicContact CG1-CB 4.41Å; V524-L621 HydrophobicContact CG1-CD1 3.39Å; V524-L621 HydrophobicContact CG1-CD2 3.72Å; V524-L621 HydrophobicContact CG1-CG 4Å
525	M	82.1	Confident	82.2	Confident	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.	I	π-helix	trans	-81.5	-49	179.4	-175.6	-78.1	-70.9	0	0	112.9	I520 I521 P528 L529 L621 L624 W639 F759	I520-M525 PolarHBondContact O-N 2.85Å; I521-M525 HydrophobicContact CG2-CE 3.75Å; I521-M525 WeakPolarHBondContact O-CB 3.38Å; I521-M525 PolarHBondContact O-N 3.39Å; M525-P528 WeakPolarHBondContact O-CD 3.42Å; M525-L529 HydrophobicContact SD-CD1 3.43Å; M525-L529 WeakPolarHBondContact SD-CD1 2.89Å; M525-L529 HydrophobicContact SD-CG 4.15Å; M525-L621 HydrophobicContact CB-CD2 4.44Å; M525-L624 HydrophobicContact CG-CD1 4.42Å; M525-W639 HydrophobicContact CE-CH2 3.41Å; M525-W639 VanDerWaalsContact CE-CH2 3.41Å; M525-W639 HydrophobicContact CE-CZ3 3.61Å; M525-F759 HydrophobicContact CE-CE2 3.97Å; M525-F759 HydrophobicContact CG-CE2 3.55Å; M525-F759 HydrophobicContact CG-CZ 3.46Å; M525-F759 VanDerWaalsContact CG-CZ 3.46Å; M525-F759 HydrophobicContact SD-CE2 3.81Å; M525-F759 HydrophobicContact SD-CZ 4.35Å
526	L	85.2	Confident	81.3	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-46.9	-176.8	-70.2	172.8	0	0	0	113.6	F493 I521 L529 F530 F642 L643 Y646	F493-L526 HydrophobicContact CZ-CB 4.28Å; I521-L526 WeakPolarHBondContact O-CG 3.34Å; I521-L526 PolarHBondContact O-N 3.44Å; L526-L529 HydrophobicContact CD2-CD1 4.49Å; L526-L529 WeakPolarHBondContact O-CB 3.37Å; L526-L529 PolarHBondContact O-N 2.75Å; L526-L529 VanDerWaalsContact O-N 3.08Å; L526-F530 VanDerWaalsContact O-CD2 3.27Å; L526-F530 WeakPolarHBondContact O-CD2 3.5Å; L526-F642 HydrophobicContact CD1-CE1 3.69Å; L526-F642 HydrophobicContact CD1-CZ 4.07Å; L526-L643 HydrophobicContact CD2-CD2 3.71Å; L526-Y646 HydrophobicContact CD1-CD2 4.17Å; L526-Y646 HydrophobicContact CD1-CE2 3.9Å
527	P	84.6	Confident	80.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-44.7	-173.7	-20.5	31.1	0	0	0	114	F493 K523 L529 F530 N531 L532 K533	F493-P527 HydrophobicContact CE1-CB 4.3Å; F493-P527 HydrophobicContact CE1-CG 4.14Å; K523-P527 WeakPolarHBondContact O-CG 3.4Å; P527-L529 VanDerWaalsContact C-N 3.26Å; P527-L529 PolarHBondContact O-N 2.89Å; P527-F530 CarbonylContact O-C 3.57Å; P527-F530 PolarHBondContact O-N 3.39Å; P527-N531 PolarHBondContact O-N 3.29Å; P527-L532 CarbonylContact C-O 3.6Å; P527-L532 VanDerWaalsContact C-O 3.32Å; P527-L532 HydrophobicContact CB-CB 3.74Å; P527-L532 WeakPolarHBondContact O-CA 3.29Å; P527-L532 WeakPolarHBondContact O-CB 3.28Å; P527-L532 PolarHBondContact O-N 2.88Å; P527-K533 WeakPolarHBondContact CB-O 3.3Å
528	P	78	Confident	79.8	Confident	14 Å²	14	29.8 Å²	29.8	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-55.8	-34	174.1	-29.9	36.8	0	0	0	115.1	V524 M525 F530 N531 P534 L624	V524-P528 WeakPolarHBondContact O-CD 3.4Å; V524-P528 WeakPolarHBondContact O-CG 3.44Å; M525-P528 WeakPolarHBondContact O-CD 3.42Å; P528-F530 PolarHBondContact O-N 2.84Å; P528-N531 PolarHBondContact O-N 3.26Å; P528-P534 HydrophobicContact CG-CG 3.92Å; P528-L624 HydrophobicContact CB-CB 4.12Å
529	L	79.5	Confident	78.4	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-25	176.5	-64.8	178.5	0	0	0	112.5	M525 L526 P527 L624 F803	M525-L529 HydrophobicContact SD-CD1 3.43Å; M525-L529 WeakPolarHBondContact SD-CD1 2.89Å; M525-L529 HydrophobicContact SD-CG 4.15Å; L526-L529 HydrophobicContact CD2-CD1 4.49Å; L526-L529 WeakPolarHBondContact O-CB 3.37Å; L526-L529 PolarHBondContact O-N 2.75Å; L526-L529 VanDerWaalsContact O-N 3.08Å; P527-L529 VanDerWaalsContact C-N 3.26Å; P527-L529 PolarHBondContact O-N 2.89Å; L529-L624 HydrophobicContact CD2-CD2 4.47Å; L529-F803 HydrophobicContact CB-CD1 4.09Å; L529-F803 HydrophobicContact CB-CE1 4.39Å; L529-F803 HydrophobicContact CB-CG 4.16Å; L529-F803 HydrophobicContact CD1-CD2 4.29Å; L529-F803 HydrophobicContact CD1-CE1 4.14Å; L529-F803 HydrophobicContact CD1-CE2 3.85Å; L529-F803 HydrophobicContact CD1-CZ 3.76Å
530	F	78	Confident	77.2	Confident	4 Å²	4	40 Å²	40	2%	0.018	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.8	176.5	-64.6	-84.5	0	0	0	113.7	F486 F493 L526 P527 P528 L532 F803 R809 V811	F486-F530 HydrophobicContact CB-CE1 4.29Å; F486-F530 AromaticContact CD1-CE1 3.91Å; F486-F530 HydrophobicContact CD1-CE1 3.91Å; F486-F530 HydrophobicContact CD1-CZ 4Å; F486-F530 AromaticContact CD2-CE1 3.52Å; F486-F530 HydrophobicContact CD2-CE1 3.52Å; F486-F530 HydrophobicContact CD2-CZ 4.01Å; F486-F530 HydrophobicContact CE1-CE1 4.05Å; F486-F530 HydrophobicContact CE1-CE2 4.43Å; F486-F530 AromaticContact CE1-CZ 3.68Å; F486-F530 HydrophobicContact CE1-CZ 3.68Å; F486-F530 AromaticContact CE2-CE1 3.72Å; F486-F530 HydrophobicContact CE2-CE1 3.72Å; F486-F530 AromaticContact CE2-CZ 3.73Å; F486-F530 HydrophobicContact CE2-CZ 3.73Å; F486-F530 HydrophobicContact CG-CD1 4.35Å; F486-F530 AromaticContact CG-CE1 3.63Å; F486-F530 HydrophobicContact CG-CE1 3.63Å; F486-F530 HydrophobicContact CG-CZ 4.14Å; F486-F530 AromaticContact CZ-CE1 3.97Å; F486-F530 HydrophobicContact CZ-CE1 3.97Å; F486-F530 AromaticContact CZ-CZ 3.55Å; F486-F530 HydrophobicContact CZ-CZ 3.55Å; F493-F530 AromaticContact CE2-CD2 3.57Å; F493-F530 HydrophobicContact CE2-CD2 3.57Å; F493-F530 AromaticContact CE2-CE2 3.67Å; F493-F530 HydrophobicContact CE2-CE2 3.67Å; F493-F530 HydrophobicContact CE2-CG 4.06Å; F493-F530 HydrophobicContact CE2-CZ 4.2Å; F493-F530 AromaticContact CZ-CD2 3.47Å; F493-F530 HydrophobicContact CZ-CD2 3.47Å; F493-F530 VanDerWaalsContact CZ-CD2 3.47Å; F493-F530 AromaticContact CZ-CE2 3.75Å; F493-F530 HydrophobicContact CZ-CE2 3.75Å; F493-F530 HydrophobicContact CZ-CG 4.25Å; L526-F530 VanDerWaalsContact O-CD2 3.27Å; L526-F530 WeakPolarHBondContact O-CD2 3.5Å; P527-F530 CarbonylContact O-C 3.57Å; P527-F530 PolarHBondContact O-N 3.39Å; P528-F530 PolarHBondContact O-N 2.84Å; F530-L532 HydrophobicContact CB-CD1 4.08Å; F530-L532 HydrophobicContact CB-CG 4.03Å; F530-L532 PolarHBondContact O-N 3.21Å; F530-F803 HydrophobicContact CE1-CD1 4.07Å; F530-F803 HydrophobicContact CE2-CD1 4.09Å; F530-F803 HydrophobicContact CE2-CE1 4.01Å; F530-F803 AromaticContact CZ-CD1 3.72Å; F530-F803 HydrophobicContact CZ-CD1 3.72Å; F530-F803 AromaticContact CZ-CE1 3.76Å; F530-F803 HydrophobicContact CZ-CE1 3.76Å; F530-R809 HydrophobicContact CD1-CB 4.28Å; F530-V811 HydrophobicContact CE1-CG2 3.44Å; F530-V811 VanDerWaalsContact CE1-CG2 3.44Å; F530-V811 HydrophobicContact CZ-CG2 3.81Å
531	N	74.9	Confident	76.2	Confident	67 Å²	67	39.8 Å²	39.8	36%	0.358	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	32.7	-168.7	-72.6	-22.1	0	0	0	113.3	P527 P528 M627 P805	P527-N531 PolarHBondContact O-N 3.29Å; P528-N531 PolarHBondContact O-N 3.26Å; N531-M627 PolarHBondContact OD1-N 3.17Å; N531-P805 HydrophobicContact CB-CB 3.96Å; N531-P805 WeakPolarHBondContact ND2-CB 3.27Å; N531-P805 WeakPolarHBondContact ND2-CG 3.44Å
532	L	78.8	Confident	74.9	Confident	16 Å²	16	45.3 Å²	45.3	8%	0.084	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-97.5	152.4	172.5	-63.6	177.8	0	0	0	110.4	T490 F493 P527 F530 R809	T490-L532 HydrophobicContact CG2-CD1 4.4Å; T490-L532 HydrophobicContact CG2-CD2 3.54Å; F493-L532 HydrophobicContact CB-CD1 4.12Å; F493-L532 HydrophobicContact CD1-CD1 3.39Å; F493-L532 HydrophobicContact CD2-CD1 4.13Å; F493-L532 HydrophobicContact CE1-CD1 3.78Å; F493-L532 HydrophobicContact CE2-CD1 4.44Å; F493-L532 HydrophobicContact CG-CD1 3.6Å; F493-L532 HydrophobicContact CZ-CD1 4.29Å; P527-L532 CarbonylContact C-O 3.6Å; P527-L532 VanDerWaalsContact C-O 3.32Å; P527-L532 HydrophobicContact CB-CB 3.74Å; P527-L532 WeakPolarHBondContact O-CA 3.29Å; P527-L532 WeakPolarHBondContact O-CB 3.28Å; P527-L532 PolarHBondContact O-N 2.88Å; F530-L532 HydrophobicContact CB-CD1 4.08Å; F530-L532 HydrophobicContact CB-CG 4.03Å; F530-L532 PolarHBondContact O-N 3.21Å; L532-R809 VanDerWaalsContact CD2-NH2 3.27Å
533	K	76.3	Confident	73.1	Confident	180 Å²	180	52.9 Å²	52.9	78%	0.783	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-68.4	136.3	173.9	-68.8	-177.4	179.3	178.8	0	109	H494 P527	H494-K533 PolarHBondContact CE1-O 2.75Å; H494-K533 VanDerWaalsContact CE1-O 3.29Å; P527-K533 WeakPolarHBondContact CB-O 3.3Å
534	P	77.1	Confident	71.7	Confident	75 Å²	75	53.1 Å²	53.1	49%	0.487	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-53.4	139.5	170.2	-26.4	34.7	0	0	0	111.6	V524 P528	V524-P534 HydrophobicContact CG1-CB 4.13Å; P528-P534 HydrophobicContact CG-CG 3.92Å
535	A	75.6	Confident	70.1	Confident	30 Å²	30	55.8 Å²	55.8	25%	0.248	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-78.2	145.1	171.1	0	0	0	0	0	109.6	K523 L537	K523-A535 HydrophobicContact CB-CB 4.1Å; K523-A535 HydrophobicContact CG-CB 4.26Å; K523-A535 PolarHBondContact O-N 2.93Å; A535-L537 PolarHBondContact O-N 3.26Å
536	S	68.8	Low	68.4	Low	105 Å²	105	58.2 Å²	58.2	73%	0.734	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-64.2	133.8	174.5	46.6	0	0	0	0	110.5
537	L	67.8	Low	66.6	Low	35 Å²	35	62.1 Å²	62.1	18%	0.183	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-71.7	132.6	167.2	-65.3	171.2	0	0	0	107.9	A519 I520 K523 V524 A535 E541 Q542	A519-L537 HydrophobicContact CB-CD2 4.37Å; I520-L537 HydrophobicContact CG1-CD1 3.91Å; I520-L537 HydrophobicContact CG1-CD2 4.19Å; K523-L537 HydrophobicContact CB-CD2 4.13Å; K523-L537 HydrophobicContact CD-CD2 4.06Å; V524-L537 HydrophobicContact CG2-CD1 4.11Å; V524-L537 HydrophobicContact CG2-CD2 3.92Å; V524-L537 HydrophobicContact CG2-CG 3.92Å; A535-L537 PolarHBondContact O-N 3.26Å; L537-E541 VanDerWaalsContact CA-OE2 3.24Å; L537-E541 WeakPolarHBondContact CA-OE2 3.44Å; L537-E541 HydrophobicContact CB-CB 4.09Å; L537-E541 HydrophobicContact CD2-CB 4.39Å; L537-Q542 HydrophobicContact CB-CG 3.85Å; L537-Q542 PolarHBondContact O-NE2 2.91Å
538	S	68.3	Low	64.2	Low	37 Å²	37	70.6 Å²	70.6	26%	0.259	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.6	155.8	176.1	62.7	0	0	0	0	110.5	K505 V540 E541 Q542	K505-S538 PolarHBondContact NZ-OG 2.87Å; S538-V540 PolarHBondContact O-N 3.46Å; S538-V540 VanDerWaalsContact O-N 3.11Å; S538-E541 PolarHBondContact N-OE2 3.46Å; S538-E541 WeakPolarHBondContact O-CA 3.26Å; S538-E541 VanDerWaalsContact O-CB 3.28Å; S538-E541 WeakPolarHBondContact O-CB 3.42Å; S538-E541 PolarHBondContact O-N 2.81Å; S538-E541 VanDerWaalsContact OG-CG 3.23Å; S538-E541 WeakPolarHBondContact OG-CG 3.19Å; S538-E541 PolarHBondContact OG-OE1 2.65Å; S538-Q542 PolarHBondContact O-N 3.02Å; S538-Q542 VanDerWaalsContact O-N 3.13Å
539	D	58	Low	62.2	Low	120 Å²	120	76.3 Å²	76.3	64%	0.642	42%	0.421	S	S	*	.	H	α-helix	trans	-49.8	-43	179.8	-55.4	-14.5	0	0	0	112.4	E541 Q542 E543	D539-E541 VanDerWaalsContact C-N 3.25Å; D539-E541 PolarHBondContact O-N 3.18Å; D539-Q542 PolarHBondContact O-N 3.4Å; D539-E543 WeakPolarHBondContact O-CG 3.37Å; D539-E543 PolarHBondContact O-N 2.88Å
540	V	61.4	Low	60	Low	95 Å²	95	87.5 Å²	87.5	58%	0.576	46%	0.463	S	S	*	.	H	α-helix	trans	-61.5	-28.6	175.3	-177.3	0	0	0	0	113.5	S538 L544	S538-V540 PolarHBondContact O-N 3.46Å; S538-V540 VanDerWaalsContact O-N 3.11Å; V540-L544 WeakPolarHBondContact O-CG 3.42Å
541	E	63.5	Low	58.1	Low	6 Å²	6	94.5 Å²	94.5	3%	0.028	50%	0.501	C	S	.	.	H	α-helix	trans	-80.5	-29	176.7	-69.5	159.2	-165.6	0	0	111.6	V501 K505 A519 K523 L537 S538 D539	V501-E541 WeakPolarHBondContact CG1-OE1 3.48Å; K505-E541 WeakPolarHBondContact CE-OE1 3.44Å; K505-E541 IonicContact NZ-OE1 2.87Å; K505-E541 PolarHBondContact NZ-OE1 2.97Å; A519-E541 HydrophobicContact CB-CG 4.24Å; K523-E541 VanDerWaalsContact NZ-CD 3.3Å; K523-E541 IonicContact NZ-OE1 2.66Å; K523-E541 PolarHBondContact NZ-OE1 3.47Å; K523-E541 IonicContact NZ-OE2 3.97Å; K523-E541 PolarHBondContact NZ-OE2 3.35Å; L537-E541 VanDerWaalsContact CA-OE2 3.24Å; L537-E541 WeakPolarHBondContact CA-OE2 3.44Å; L537-E541 HydrophobicContact CB-CB 4.09Å; L537-E541 HydrophobicContact CD2-CB 4.39Å; S538-E541 PolarHBondContact N-OE2 3.46Å; S538-E541 WeakPolarHBondContact O-CA 3.26Å; S538-E541 VanDerWaalsContact O-CB 3.28Å; S538-E541 WeakPolarHBondContact O-CB 3.42Å; S538-E541 PolarHBondContact O-N 2.81Å; S538-E541 VanDerWaalsContact OG-CG 3.23Å; S538-E541 WeakPolarHBondContact OG-CG 3.19Å; S538-E541 PolarHBondContact OG-OE1 2.65Å; D539-E541 VanDerWaalsContact C-N 3.25Å; D539-E541 PolarHBondContact O-N 3.18Å
542	Q	59.7	Low	56.3	Low	119 Å²	119	100.6 Å²	100.6	56%	0.556	52%	0.524	S	S	*	.	H	α-helix	trans	-78.4	-33.5	177.1	-61.5	-177.3	18.1	0	0	112	L537 S538 D539 L544	L537-Q542 HydrophobicContact CB-CG 3.85Å; L537-Q542 PolarHBondContact O-NE2 2.91Å; S538-Q542 PolarHBondContact O-N 3.02Å; S538-Q542 VanDerWaalsContact O-N 3.13Å; D539-Q542 PolarHBondContact O-N 3.4Å; Q542-L544 VanDerWaalsContact C-N 3.34Å; Q542-L544 PolarHBondContact O-N 3.01Å
543	E	52.3	Low	54.3	Low	162 Å²	162	107.5 Å²	107.5	76%	0.757	56%	0.561	S	S	*	*	S	Bend	trans	-76.8	-8.2	-178.6	-72.8	-177.4	173.9	0	0	115.2	D539	D539-E543 WeakPolarHBondContact O-CG 3.37Å; D539-E543 PolarHBondContact O-N 2.88Å
544	L	55.3	Low	52.4	Low	24 Å²	24	104.1 Å²	104.1	13%	0.126	56%	0.56	C	S	.	*	S	Bend	trans	-68.5	129.2	177.4	-60.7	168.8	0	0	0	109.1	L512 K515 R516 V540 Q542 A546	L512-L544 HydrophobicContact CB-CD2 3.91Å; L512-L544 HydrophobicContact CD1-CD2 4.2Å; L512-L544 HydrophobicContact CD2-CD2 3.72Å; L512-L544 HydrophobicContact CG-CD2 4.13Å; K515-L544 HydrophobicContact CB-CD1 4.5Å; R516-L544 HydrophobicContact CB-CB 4Å; R516-L544 HydrophobicContact CB-CD1 3.74Å; R516-L544 WeakPolarHBondContact CD-O 3.43Å; R516-L544 HydrophobicContact CG-CB 4.4Å; R516-L544 PolarHBondContact NH1-O 3.42Å; V540-L544 WeakPolarHBondContact O-CG 3.42Å; Q542-L544 VanDerWaalsContact C-N 3.34Å; Q542-L544 PolarHBondContact O-N 3.01Å; L544-A546 PolarHBondContact O-N 3.19Å
545	P	47.2	Very low	50.5	Low	79 Å²	79	105.6 Å²	105.6	51%	0.513	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-53	123.9	-162.9	18.4	-31.2	0	0	0	111.6	L513	L513-P545 HydrophobicContact CD2-CG 4.39Å; L513-P545 VanDerWaalsContact CD2-O 3.22Å; L513-P545 WeakPolarHBondContact CD2-O 3.32Å
546	A	46.6	Very low	48.7	Very low	52 Å²	52	110.3 Å²	110.3	43%	0.43	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-65	152.6	164.9	0	0	0	0	0	108.4	R516 L544 E548	R516-A546 VanDerWaalsContact NH1-N 3.15Å; L544-A546 PolarHBondContact O-N 3.19Å; A546-E548 PolarHBondContact O-N 3.26Å
547	V	46.9	Very low	47.2	Very low	83 Å²	83	108.9 Å²	108.9	50%	0.503	59%	0.593	S	S	.	*			trans	-58.3	105.2	176.4	178	0	0	0	0	108	N549	V547-N549 PolarHBondContact O-N 3.24Å; V547-N549 VanDerWaalsContact O-N 3.08Å
548	E	35.3	Very low	45.6	Very low	178 Å²	178	115 Å²	115	83%	0.832	63%	0.625	S	S	*	*			trans	-67.8	105.6	167.4	-77.9	-175.4	169	0	0	107.4	A546 R550	A546-E548 PolarHBondContact O-N 3.26Å; E548-R550 PolarHBondContact O-N 3.23Å
549	N	34.4	Very low	44.1	Very low	134 Å²	134	116.7 Å²	116.7	72%	0.717	65%	0.649	S	S	*	*			trans	-59.8	105.9	164.4	-78.6	-35.2	0	0	0	107.9	V547 D551	V547-N549 PolarHBondContact O-N 3.24Å; V547-N549 VanDerWaalsContact O-N 3.08Å; N549-D551 VanDerWaalsContact C-N 3.28Å; N549-D551 PolarHBondContact O-N 2.94Å
550	R	33.6	Very low	43.1	Very low	237 Å²	237	116.7 Å²	116.7	89%	0.894	66%	0.658	S	S	*	*			trans	-69.1	90.1	165.2	-87.7	-177.3	164.5	-179.1	-4.5	108.3	E548 K552	E548-R550 PolarHBondContact O-N 3.23Å; R550-K552 PolarHBondContact O-N 3.34Å
551	D	37.5	Very low	41.8	Very low	150 Å²	150	119.6 Å²	119.6	80%	0.802	67%	0.67	S	S	*	*			trans	-65.3	103.3	163	-75.9	-28.7	0	0	0	108.8	N549 N553	N549-D551 VanDerWaalsContact C-N 3.28Å; N549-D551 PolarHBondContact O-N 2.94Å; D551-N553 PolarHBondContact O-N 3.38Å; D551-N553 VanDerWaalsContact O-N 3.11Å
552	K	37.5	Very low	40.7	Very low	196 Å²	196	124.6 Å²	124.6	85%	0.852	71%	0.706	S	S	*	*			trans	-66.4	100.3	162.1	-71.9	176.6	179.4	174.1	0	107.6	R550	R550-K552 PolarHBondContact O-N 3.34Å
553	N	37.1	Very low	39.7	Very low	160 Å²	160	129 Å²	129	86%	0.856	72%	0.718	S	S	*	*			trans	-139.3	88	150.1	-94.3	-17.4	0	0	0	108.6	D551	D551-N553 PolarHBondContact O-N 3.38Å; D551-N553 VanDerWaalsContact O-N 3.11Å
554	S	37.3	Very low	39	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	72%	0.721	S	S	*	*			trans	-69.7	136.8	159.6	53.7	0	0	0	0	109.3
555	S	37.3	Very low	38.2	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	75%	0.75	S	S	*	*			trans	112.9	104.1	151.4	85	0	0	0	0	116.1
556	T	36.4	Very low	37.8	Very low	129 Å²	129	133.9 Å²	133.9	79%	0.791	77%	0.767	S	S	*	*				110	107.7	123.9	-36.6	0	0	0	0	117.9
557	A	37	Very low	37.3	Very low	75 Å²	75	139.3 Å²	139.3	62%	0.62	79%	0.788	S	S	*	*			trans	85.3	112.8	134.1	0	0	0	0	0	122.2
558	N	35.8	Very low	36.9	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	81%	0.808	S	S	*	*				85.6	119.1	121.4	-67.8	-7.4	0	0	0	122.2
559	G	35.7	Very low	36.9	Very low	73 Å²	73	140.9 Å²	140.9	75%	0.753	81%	0.809	S	S	*	*			trans	80.6	137.7	145	0	0	0	0	0	115.4
560	S	38.3	Very low	37	Very low	119 Å²	119	138.6 Å²	138.6	83%	0.832	82%	0.818	S	S	*	*			cis	-173.2	137.6	9.9	17.8	0	0	0	0	108.6
561	N	33.5	Very low	36.9	Very low	156 Å²	156	138.2 Å²	138.2	83%	0.834	82%	0.816	S	S	*	*			trans	13.7	128.5	153.5	-66.8	-20.6	0	0	0	122.4
562	S	40.1	Very low	36.9	Very low	112 Å²	112	137 Å²	137	78%	0.783	82%	0.818	S	S	*	*				-174.4	96.8	126.5	-171.5	0	0	0	0	109.3
563	R	38.7	Very low	36.8	Very low	212 Å²	212	139.3 Å²	139.3	80%	0.8	82%	0.821	S	S	*	*				67.2	118.3	95.2	-73.8	-173.7	-178.5	164.4	1.6	117
564	N	37.9	Very low	36.6	Very low	155 Å²	155	135.8 Å²	135.8	83%	0.829	82%	0.823	S	S	*	*			trans	71.9	148.6	146	-63.2	-5.3	0	0	0	118.8
565	A	37.6	Very low	36.4	Very low	88 Å²	88	133.7 Å²	133.7	73%	0.727	82%	0.819	S	S	*	*			cis	175.7	136.5	-18	0	0	0	0	0	105
566	S	38.5	Very low	36.2	Very low	124 Å²	124	140.4 Å²	140.4	87%	0.867	83%	0.829	S	S	*	*			trans	177.2	118.6	134.9	60.7	0	0	0	0	112.3
567	N	35.9	Very low	36	Very low	165 Å²	165	145.9 Å²	145.9	88%	0.882	84%	0.836	S	S	*	*			trans	-70	142.5	169.2	-107.2	-21.2	0	0	0	112.7
568	K	40.1	Very low	36	Very low	212 Å²	212	153.8 Å²	153.8	92%	0.922	85%	0.85	S	S	*	*			trans	-161.6	119.1	145.3	-94.7	177.3	-177	175.6	0	104.4
569	G	35.3	Very low	36	Very low	83 Å²	83	157.2 Å²	157.2	86%	0.856	85%	0.85	S	S	*	*			cis	117.2	105.4	26.4	0	0	0	0	0	107.8
570	G	35	Very low	35.9	Very low	86 Å²	86	158.6 Å²	158.6	89%	0.887	86%	0.855	S	S	*	*			trans	160.2	88.8	172.1	0	0	0	0	0	116.5
571	R	32.7	Very low	35.7	Very low	228 Å²	228	157 Å²	157	86%	0.86	86%	0.856	S	S	*	*			trans	-78.2	155.5	170.2	-99.3	173.6	169.1	167.8	-2	111.9
572	C	37	Very low	35.8	Very low	126 Å²	126	154 Å²	154	85%	0.851	85%	0.854	S	S	*	*				166.1	99.9	127	-86.6	0	0	0	0	109.9
573	R	35.3	Very low	35.6	Very low	243 Å²	243	159.2 Å²	159.2	92%	0.917	86%	0.862	S	S	*	*				68.5	118.8	84.6	-94.7	-166.5	175.7	-171.4	0.4	117.4
574	G	34.1	Very low	35.4	Very low	86 Å²	86	153.1 Å²	153.1	89%	0.887	87%	0.866	S	S	*	*			trans	138.4	116.3	153.5	0	0	0	0	0	112.4
575	G	32.6	Very low	35.3	Very low	66 Å²	66	158.2 Å²	158.2	68%	0.68	87%	0.873	S	S	*	*			cis	119.9	76.5	6.8	0	0	0	0	0	112.4
576	Y	33.8	Very low	35.2	Very low	247 Å²	247	158 Å²	158	97%	0.969	88%	0.879	S	S	*	*			trans	-142.9	105	158	-82.6	-78.5	0	0	0	111.3
577	R	30.5	Very low	34.9	Very low	244 Å²	244	160 Å²	160	92%	0.921	88%	0.881	S	S	*	*			trans	-113.3	138.1	162.3	-108.7	-168.8	-169.8	-168.2	4.5	107.4
578	R	38.4	Very low	34.9	Very low	242 Å²	242	156.6 Å²	156.6	91%	0.913	88%	0.875	S	S	*	*			trans	160.7	137.5	151	-92.3	171.6	-159.8	-150.9	8.4	106
579	R	35.2	Very low	34.5	Very low	234 Å²	234	156.4 Å²	156.4	88%	0.883	87%	0.874	S	S	*	*			cis	-164.2	134.7	16.8	-164.7	173.7	-172.8	174.4	0	107.1
580	A	33	Very low	34.4	Very low	103 Å²	103	158.2 Å²	158.2	85%	0.851	87%	0.869	S	S	*	*			trans	-76.1	147.1	168.7	0	0	0	0	0	110.7
581	G	35.1	Very low	34.4	Very low	84 Å²	84	159.3 Å²	159.3	87%	0.866	87%	0.869	S	S	*	*			trans	-135.9	106.2	165.7	0	0	0	0	0	108.7
582	A	35.6	Very low	34.4	Very low	94 Å²	94	153.6 Å²	153.6	78%	0.777	86%	0.86	S	S	*	*			trans	-91.8	145.4	176.4	0	0	0	0	0	110.7
583	K	35.3	Very low	34.2	Very low	221 Å²	221	154.4 Å²	154.4	96%	0.961	86%	0.861	S	S	*	*			trans	176.4	128.9	142.9	-99.9	168.3	-175.8	-176.6	0	110.1
584	G	34.5	Very low	34.1	Very low	85 Å²	85	148.3 Å²	148.3	88%	0.876	85%	0.853	S	S	*	*			trans	159.3	67.5	172.3	0	0	0	0	0	113.6
585	R	36	Very low	34.1	Very low	262 Å²	262	149.4 Å²	149.4	99%	0.989	85%	0.847	S	S	*	*			trans	-75.1	135.5	169.8	-96.9	170.9	142.1	170.8	-7.1	109.8
586	G	34.9	Very low	34.1	Very low	82 Å²	82	151.7 Å²	151.7	85%	0.845	85%	0.852	S	S	*	*			trans	-155.8	114.6	162.9	0	0	0	0	0	108.8
587	N	32.6	Very low	34.2	Very low	168 Å²	168	145.1 Å²	145.1	90%	0.898	84%	0.842	S	S	*	*			trans	-117.4	163.2	-168.4	-147.9	35.4	0	0	0	109.6
588	A	35.5	Very low	34.2	Very low	93 Å²	93	139.5 Å²	139.5	77%	0.769	84%	0.836	S	S	*	*			trans	87.6	138.2	171.8	0	0	0	0	0	115.6
589	K	32.2	Very low	33.9	Very low	207 Å²	207	137.4 Å²	137.4	90%	0.9	84%	0.836	S	S	*	*			cis	-158.8	142.5	30.8	-158.2	170.8	-177	177.4	0	111.2
590	V	33.4	Very low	33.6	Very low	122 Å²	122	131.2 Å²	131.2	74%	0.739	83%	0.829	S	S	*	*			trans	-79.8	146.6	174.2	169.6	0	0	0	0	110.3	T592	V590-T592 WeakPolarHBondContact CG1-OG1 3.46Å
591	A	35	Very low	33.6	Very low	108 Å²	108	133.6 Å²	133.6	89%	0.893	83%	0.833	S	S	*	*			trans	-144	119	151.9	0	0	0	0	0	109.2
592	T	31.6	Very low	33.2	Very low	109 Å²	109	134.3 Å²	134.3	67%	0.669	83%	0.831	S	S	*	*			trans	-113.4	140	-177.4	-58.3	0	0	0	0	107.7	V590 P594	V590-T592 WeakPolarHBondContact CG1-OG1 3.46Å; T592-P594 HydrophobicContact CG2-CG 4.44Å
593	T	32.9	Very low	33.2	Very low	143 Å²	143	136.7 Å²	136.7	88%	0.877	84%	0.835	S	S	*	*			trans	-140.7	122.5	162.1	32.3	0	0	0	0	109.2
594	P	34.2	Very low	32.8	Very low	115 Å²	115	133.2 Å²	133.2	75%	0.747	83%	0.827	S	S	*	*			trans	-133	141	160	33.8	-15.8	0	0	0	112.4	T592	T592-P594 HydrophobicContact CG2-CG 4.44Å
595	S	34.7	Very low	32.8	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	83%	0.827	S	S	*	*			trans	-165.3	105	162.9	53.4	0	0	0	0	106.3
596	S	31.7	Very low	32.2	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	82%	0.82	S	S	*	*				70	101.7	64.6	80.5	0	0	0	0	115.2
597	S	36.3	Very low	32.1	Very low	109 Å²	109	138.5 Å²	138.5	76%	0.762	82%	0.82	S	S	*	*			trans	174.9	90	142.4	53.3	0	0	0	0	107.2
598	T	30	Very low	32.1	Very low	127 Å²	127	139.7 Å²	139.7	78%	0.779	82%	0.817	S	S	*	*				58.7	105	87.7	-37.7	0	0	0	0	113
599	E	32.4	Very low	32.1	Very low	198 Å²	198	141 Å²	141	93%	0.925	82%	0.821	S	S	*	*				-161.1	136.1	126.3	-111.6	172.8	-165.8	0	0	110.7
600	S	28.9	Very low	32.7	Very low	104 Å²	104	137 Å²	137	73%	0.727	81%	0.805	S	S	*	*			trans	-103.3	137.8	-158.4	35.5	0	0	0	0	112.1
601	T	32.1	Very low	33.2	Very low	153 Å²	153	133.5 Å²	133.5	94%	0.939	79%	0.786	S	S	*	*			trans	-142.5	125.6	148.1	31.9	0	0	0	0	109.3
602	A	28.2	Very low	34.1	Very low	99 Å²	99	131.4 Å²	131.4	82%	0.818	76%	0.76	S	S	*	*			trans	-84.4	135.9	-173.4	0	0	0	0	0	111.9
603	V	34.2	Very low	35	Very low	143 Å²	143	134.1 Å²	134.1	87%	0.867	77%	0.765	S	S	*	*			trans	-146.7	127.4	151.9	-174.6	0	0	0	0	109
604	D	27.3	Very low	35.4	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	75%	0.749	S	S	*	*			trans	-42.9	137.8	173.7	-69	-60.9	0	0	0	115.1
605	K	33.7	Very low	36.1	Very low	201 Å²	201	127.8 Å²	127.8	87%	0.874	72%	0.718	S	S	*	*				-176.3	134.7	125.8	-95.2	152.4	-167.9	178	0	112.5	E607	K605-E607 PolarHBondContact O-N 3.07Å
606	N	25.1	Very low	37	Very low	160 Å²	160	126.4 Å²	126.4	86%	0.856	71%	0.707	S	S	*	*			trans	-73.2	102.1	-177	-165.9	13.6	0	0	0	110.8
607	E	32.1	Very low	37.9	Very low	180 Å²	180	122.1 Å²	122.1	84%	0.841	68%	0.675	S	S	*	*			trans	-108.7	101.6	169.2	-75.4	-170.9	170.4	0	0	110.2	K605 S609	K605-E607 PolarHBondContact O-N 3.07Å; E607-S609 PolarHBondContact O-N 2.85Å
608	K	33.3	Very low	38.7	Very low	192 Å²	192	117.6 Å²	117.6	84%	0.835	64%	0.642	S	S	*	*			trans	-61.8	118.5	167.4	-96.7	176.6	174.5	175.9	0	108.9	E610	K608-E610 PolarHBondContact O-N 2.81Å
609	S	35.6	Very low	39.5	Very low	122 Å²	122	118.3 Å²	118.3	85%	0.853	64%	0.636	S	S	*	*			trans	-63.9	103.9	173.1	-34.2	0	0	0	0	110	E607 S611	E607-S609 PolarHBondContact O-N 2.85Å; S609-S611 PolarHBondContact O-N 3.18Å
610	E	43.8	Very low	40.1	Very low	122 Å²	122	113.4 Å²	113.4	57%	0.57	62%	0.616	S	S	*	*			trans	-68.3	124.7	177.7	-66.6	-177.7	158.7	0	0	110.9	K608 K757	K608-E610 PolarHBondContact O-N 2.81Å; E610-K757 WeakPolarHBondContact OE2-CE 3.4Å; E610-K757 IonicContact OE2-NZ 2.87Å; E610-K757 PolarHBondContact OE2-NZ 2.74Å
611	S	44.9	Very low	41	Very low	48 Å²	48	110.7 Å²	110.7	34%	0.336	59%	0.594	S	S	.	*			trans	-100.3	148.6	-178.1	78.4	0	0	0	0	111.3	S609 Q613 D614	S609-S611 PolarHBondContact O-N 3.18Å; S611-Q613 PolarHBondContact O-N 2.95Å; S611-D614 PolarHBondContact N-OD2 3.39Å; S611-D614 VanDerWaalsContact N-OD2 3.1Å; S611-D614 WeakPolarHBondContact O-CB 3.43Å; S611-D614 PolarHBondContact O-N 3.27Å; S611-D614 PolarHBondContact OG-OD2 3.22Å
612	L	53.7	Low	41.6	Very low	65 Å²	65	109.2 Å²	109.2	34%	0.34	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-58.7	-18.2	177.2	-75.4	165.5	0	0	0	113.6	D614 S751 L753	L612-D614 VanDerWaalsContact C-N 3.25Å; L612-D614 PolarHBondContact O-N 3.29Å; L612-S751 VanDerWaalsContact CD1-O 3.25Å; L612-S751 WeakPolarHBondContact CD1-O 3.26Å; L612-L753 HydrophobicContact CD2-CB 4.17Å; L612-L753 HydrophobicContact CD2-CD1 3.65Å; L612-L753 HydrophobicContact CG-CD1 4.41Å
613	Q	50	Low	42.4	Very low	166 Å²	166	108.6 Å²	108.6	78%	0.776	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-73.1	-18.3	177.7	-62.8	179.9	4.1	0	0	112.4	S611 F615	S611-Q613 PolarHBondContact O-N 2.95Å; Q613-F615 PolarHBondContact O-N 3.5Å
614	D	40.1	Very low	43.2	Very low	101 Å²	101	103.3 Å²	103.3	54%	0.54	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-82.3	1.2	179.8	-57.7	-50.3	0	0	0	113.3	S611 L612 P616	S611-D614 PolarHBondContact N-OD2 3.39Å; S611-D614 VanDerWaalsContact N-OD2 3.1Å; S611-D614 WeakPolarHBondContact O-CB 3.43Å; S611-D614 PolarHBondContact O-N 3.27Å; S611-D614 PolarHBondContact OG-OD2 3.22Å; L612-D614 VanDerWaalsContact C-N 3.25Å; L612-D614 PolarHBondContact O-N 3.29Å; D614-P616 VanDerWaalsContact O-CD 3.24Å; D614-P616 WeakPolarHBondContact O-CD 3.48Å
615	F	50.7	Low	44.3	Very low	24 Å²	24	97.8 Å²	97.8	11%	0.105	51%	0.511	C	S	.	.			trans	-111.9	89.4	179	-61.2	-87.8	0	0	0	109.8	Q613 I617 L753 V756 K757 K760	Q613-F615 PolarHBondContact O-N 3.5Å; F615-I617 PolarHBondContact O-N 2.8Å; F615-L753 HydrophobicContact CD2-CD1 4.08Å; F615-L753 HydrophobicContact CE2-CD1 3.57Å; F615-L753 HydrophobicContact CZ-CD1 4.11Å; F615-V756 HydrophobicContact CB-CG1 3.99Å; F615-V756 HydrophobicContact CG-CG1 4.22Å; F615-K757 HydrophobicContact CE1-CG 4.02Å; F615-K757 HydrophobicContact CZ-CG 4.13Å; F615-K760 HydrophobicContact CD1-CD 3.64Å; F615-K760 HydrophobicContact CE1-CD 4.12Å
616	P	53.2	Low	45.2	Very low	79 Å²	79	93.3 Å²	93.3	51%	0.513	50%	0.503	S	S	.	.			trans	-67.8	88	168.2	27.1	-31.2	0	0	0	108.3	D614 L618	D614-P616 VanDerWaalsContact O-CD 3.24Å; D614-P616 WeakPolarHBondContact O-CD 3.48Å; P616-L618 PolarHBondContact O-N 3.43Å
617	I	50.6	Low	46.6	Very low	23 Å²	23	86.4 Å²	86.4	12%	0.118	47%	0.466	C	S	.	.			trans	-72.1	114.4	167.7	-50.9	171.9	0	0	0	105.7	F615 V756 F759	F615-I617 PolarHBondContact O-N 2.8Å; I617-V756 HydrophobicContact CD1-CB 4.05Å; I617-V756 HydrophobicContact CD1-CG1 3.42Å; I617-V756 VanDerWaalsContact CD1-CG1 3.42Å; I617-V756 HydrophobicContact CD1-CG2 3.57Å; I617-V756 HydrophobicContact CG1-CG1 3.81Å; I617-F759 HydrophobicContact CG2-CD1 4.17Å; I617-F759 HydrophobicContact CG2-CE1 4.29Å
618	L	51.7	Low	47.8	Very low	15 Å²	15	80 Å²	80	8%	0.079	44%	0.44	C	S	.	.	S	Bend	trans	80.4	83.5	174.9	-65.6	-1.3	0	0	0	117.7	I520 P616 L621 F759	I520-L618 HydrophobicContact CB-CD2 3.22Å; I520-L618 HydrophobicContact CB-CG 4Å; I520-L618 HydrophobicContact CD1-CB 4.21Å; I520-L618 HydrophobicContact CD1-CD2 3.7Å; I520-L618 HydrophobicContact CD1-CG 4.38Å; I520-L618 HydrophobicContact CG1-CD2 4.05Å; I520-L618 HydrophobicContact CG2-CB 4Å; I520-L618 HydrophobicContact CG2-CD1 4.37Å; I520-L618 HydrophobicContact CG2-CD2 3.1Å; I520-L618 HydrophobicContact CG2-CG 3.27Å; P616-L618 PolarHBondContact O-N 3.43Å; L618-L621 HydrophobicContact CB-CD1 4.21Å; L618-L621 HydrophobicContact CD1-CD1 4.44Å; L618-L621 HydrophobicContact CG-CD1 3.95Å; L618-F759 HydrophobicContact CD1-CE1 4.03Å; L618-F759 HydrophobicContact CD1-CZ 4.5Å
619	E	48.4	Very low	49.3	Very low	142 Å²	142	76 Å²	76	66%	0.664	42%	0.42	S	S	*	.	S	Bend	trans	-120.9	-29.5	146.3	-72.9	-177.4	166.4	0	0	111.9	L621	E619-L621 PolarHBondContact O-N 3.37Å
620	D	45	Very low	51.2	Low	94 Å²	94	72.7 Å²	72.7	50%	0.503	39%	0.389	S	S	.	.			trans	-103.9	48	-173.1	-73.9	-24.9	0	0	0	115.7	T622 L623	D620-T622 PolarHBondContact O-N 2.88Å; D620-L623 HydrophobicContact CB-CD1 4.43Å; D620-L623 PolarHBondContact O-N 3.49Å
621	L	48	Very low	53	Low	48 Å²	48	67.1 Å²	67.1	25%	0.251	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-61.1	-10.4	170	-85.4	145.8	0	0	0	113.8	I520 V524 M525 L618 E619 L623 L624	I520-L621 HydrophobicContact CG2-CD1 3.74Å; V524-L621 HydrophobicContact CB-CD1 3.94Å; V524-L621 HydrophobicContact CB-CD2 4.23Å; V524-L621 HydrophobicContact CG1-CB 4.41Å; V524-L621 HydrophobicContact CG1-CD1 3.39Å; V524-L621 HydrophobicContact CG1-CD2 3.72Å; V524-L621 HydrophobicContact CG1-CG 4Å; M525-L621 HydrophobicContact CB-CD2 4.44Å; L618-L621 HydrophobicContact CB-CD1 4.21Å; L618-L621 HydrophobicContact CD1-CD1 4.44Å; L618-L621 HydrophobicContact CG-CD1 3.95Å; E619-L621 PolarHBondContact O-N 3.37Å; L621-L623 PolarHBondContact O-N 3.32Å; L621-L624 HydrophobicContact CD2-CD1 4.02Å; L621-L624 PolarHBondContact O-N 3.16Å
622	T	44.3	Very low	55	Low	121 Å²	121	65.2 Å²	65.2	74%	0.742	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17.3	174.6	54	0	0	0	0	113.2	D620	D620-T622 PolarHBondContact O-N 2.88Å
623	L	45	Very low	56.7	Low	86 Å²	86	62.2 Å²	62.2	45%	0.45	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-86.2	-9.1	179.1	-64.7	176.3	0	0	0	114.8	D620 L621 G625 P767 R770	D620-L623 HydrophobicContact CB-CD1 4.43Å; D620-L623 PolarHBondContact O-N 3.49Å; L621-L623 PolarHBondContact O-N 3.32Å; L623-G625 PolarHBondContact O-N 3.27Å; L623-P767 HydrophobicContact CB-CG 4.46Å; L623-P767 HydrophobicContact CD1-CG 4.38Å; L623-R770 PolarHBondContact O-NH2 3.45Å
624	L	51.2	Low	58.6	Low	33 Å²	33	54.4 Å²	54.4	17%	0.173	30%	0.297	C	S	.	.			trans	-88.7	44.3	174	-72.4	170.7	0	0	0	112.2	M525 P528 L529 L621 M627	M525-L624 HydrophobicContact CG-CD1 4.42Å; P528-L624 HydrophobicContact CB-CB 4.12Å; L529-L624 HydrophobicContact CD2-CD2 4.47Å; L621-L624 HydrophobicContact CD2-CD1 4.02Å; L621-L624 PolarHBondContact O-N 3.16Å; L624-M627 HydrophobicContact CD2-SD 4.41Å
625	G	50.4	Low	60.9	Low	31 Å²	31	49.6 Å²	49.6	32%	0.32	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-55.6	161.7	169.4	0	0	0	0	0	112.4	L623 M627 R770	L623-G625 PolarHBondContact O-N 3.27Å; G625-M627 PolarHBondContact O-N 2.98Å; G625-R770 PolarHBondContact O-NH1 3.41Å
626	P	51.7	Low	62.8	Low	107 Å²	107	48.4 Å²	48.4	70%	0.695	27%	0.266	S	S	*	.	S	Bend	trans	-46.7	124.9	-173.3	14.5	-28.5	0	0	0	112.2
627	M	55.1	Low	64.7	Low	16 Å²	16	46 Å²	46	8%	0.079	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-75	134.5	-163	-63.7	-61.8	-77.7	0	0	112.5	N531 L624 G625 R629 S631 R770	N531-M627 PolarHBondContact OD1-N 3.17Å; L624-M627 HydrophobicContact CD2-SD 4.41Å; G625-M627 PolarHBondContact O-N 2.98Å; M627-R629 PolarHBondContact O-N 3.2Å; M627-S631 WeakPolarHBondContact CE-OG 3.43Å; M627-R770 PolarHBondContact SD-NH1 3.49Å; M627-R770 PolarHBondContact SD-NH2 2.91Å
628	P	58	Low	66.7	Low	46 Å²	46	45.5 Å²	45.5	30%	0.299	25%	0.249	S	C	.	.	S	Bend	trans	-76.2	114.1	171.5	29	-32.2	0	0	0	111.6	Y630 R770	P628-Y630 PolarHBondContact O-N 3.26Å; P628-R770 HydrophobicContact CG-CB 4.31Å; P628-R770 HydrophobicContact CG-CG 3.71Å
629	R	63.6	Low	68.6	Low	108 Å²	108	44.8 Å²	44.8	41%	0.408	25%	0.245	S	C	.	.	S	Bend	trans	52.9	-55.6	178	-62.3	-165	-161.6	-170.4	10.4	117.1	M627 R902	M627-R629 PolarHBondContact O-N 3.2Å; R629-R902 VanDerWaalsContact CZ-NH1 3.3Å; R629-R902 VanDerWaalsContact NE-NH1 3.11Å; R629-R902 VanDerWaalsContact NE-NH2 3.14Å
630	Y	76.4	Confident	70.8	Confident	52 Å²	52	38 Å²	38	20%	0.204	21%	0.214	C	C	.	.			trans	-151.5	156.3	-179.7	64.7	-91	0	0	0	112.7	P628 I632 R778 E782 F803 L804	P628-Y630 PolarHBondContact O-N 3.26Å; Y630-I632 HydrophobicContact CD2-CD1 4.28Å; Y630-I632 HydrophobicContact CD2-CG1 3.83Å; Y630-I632 HydrophobicContact CE2-CD1 3.76Å; Y630-I632 HydrophobicContact CE2-CG1 3.81Å; Y630-R778 PolarHBondContact O-NH2 3.43Å; Y630-R778 PolarHBondContact OH-NE 3.01Å; Y630-E782 WeakPolarHBondContact CE2-OE1 3.32Å; Y630-E782 VanDerWaalsContact CZ-OE1 3.31Å; Y630-E782 PolarHBondContact OH-OE1 2.74Å; Y630-E782 PolarHBondContact OH-OE2 2.95Å; Y630-F803 CarbonylContact C-O 3.32Å; Y630-F803 WeakPolarHBondContact CA-O 3.25Å; Y630-F803 VanDerWaalsContact CB-O 3.29Å; Y630-F803 WeakPolarHBondContact CB-O 3.44Å; Y630-L804 HydrophobicContact CG-CD2 4.45Å
631	S	81.2	Confident	73.1	Confident	5 Å²	5	33.6 Å²	33.6	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.8	168.7	-166.3	0	0	0	0	110.3	M627 H762 Q802 F803	M627-S631 WeakPolarHBondContact CE-OG 3.43Å; S631-H762 PolarHBondContact OG-CE1 3.2Å; S631-Q802 CarbonylContact O-C 3.49Å; S631-Q802 VanDerWaalsContact O-CA 3.24Å; S631-Q802 WeakPolarHBondContact O-CA 3.13Å; S631-F803 PolarHBondContact N-O 3.15Å; S631-F803 PolarHBondContact O-N 3.34Å
632	I	86.3	Confident	75.4	Confident	8 Å²	8	31.3 Å²	31.3	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.8	171.4	-54.8	-174.5	0	0	0	108.9	Y630 F634 H762 E782 K800 I801 Q802	Y630-I632 HydrophobicContact CD2-CD1 4.28Å; Y630-I632 HydrophobicContact CD2-CG1 3.83Å; Y630-I632 HydrophobicContact CE2-CD1 3.76Å; Y630-I632 HydrophobicContact CE2-CG1 3.81Å; I632-F634 HydrophobicContact CG2-CD2 4.09Å; I632-F634 HydrophobicContact CG2-CE1 4.34Å; I632-F634 HydrophobicContact CG2-CE2 3.64Å; I632-F634 HydrophobicContact CG2-CZ 3.76Å; I632-H762 PolarHBondContact O-CE1 3.35Å; I632-H762 PolarHBondContact O-ND1 3.1Å; I632-E782 HydrophobicContact CD1-CG 3.92Å; I632-K800 HydrophobicContact CG2-CG 4.12Å; I632-I801 CarbonylContact C-O 3.57Å; I632-I801 WeakPolarHBondContact CA-O 3.36Å; I632-Q802 HydrophobicContact CD1-CG 4.48Å; I632-Q802 HydrophobicContact CG1-CG 4.12Å
633	L	89.4	Confident	77.7	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.2	168.6	174.6	65.3	0	0	0	107.9	W639 F759 H762 I801 F803	L633-W639 HydrophobicContact CD2-CD2 4.07Å; L633-W639 HydrophobicContact CD2-CE3 3.97Å; L633-W639 HydrophobicContact CD2-CZ3 4.36Å; L633-F759 HydrophobicContact CD1-CD2 4.42Å; L633-H762 HydrophobicContact CD1-CB 3.58Å; L633-I801 HydrophobicContact CB-CB 4.38Å; L633-I801 PolarHBondContact N-O 3.14Å; L633-I801 WeakPolarHBondContact O-CA 3.5Å; L633-I801 WeakPolarHBondContact O-CB 3.32Å; L633-I801 PolarHBondContact O-N 3.43Å; L633-F803 HydrophobicContact CB-CE2 3.91Å; L633-F803 HydrophobicContact CD2-CE2 4.39Å
634	F	90.4	Very high	80	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.7	166	-63.9	-79.4	0	0	0	109.4	I632 Y785 Q786 A789 F799 K800 L816	I632-F634 HydrophobicContact CG2-CD2 4.09Å; I632-F634 HydrophobicContact CG2-CE1 4.34Å; I632-F634 HydrophobicContact CG2-CE2 3.64Å; I632-F634 HydrophobicContact CG2-CZ 3.76Å; F634-Y785 AromaticContact CD2-CD1 3.43Å; F634-Y785 HydrophobicContact CD2-CD1 3.43Å; F634-Y785 VanDerWaalsContact CD2-CD1 3.43Å; F634-Y785 AromaticContact CD2-CD2 3.95Å; F634-Y785 HydrophobicContact CD2-CD2 3.95Å; F634-Y785 AromaticContact CD2-CE1 3.28Å; F634-Y785 HydrophobicContact CD2-CE1 3.28Å; F634-Y785 AromaticContact CD2-CE2 3.79Å; F634-Y785 HydrophobicContact CD2-CE2 3.79Å; F634-Y785 AromaticContact CD2-CG 3.76Å; F634-Y785 HydrophobicContact CD2-CG 3.76Å; F634-Y785 AromaticContact CD2-CZ 3.46Å; F634-Y785 VanDerWaalsContact CD2-CZ 3.46Å; F634-Y785 AromaticContact CE2-CD1 3.36Å; F634-Y785 HydrophobicContact CE2-CD1 3.36Å; F634-Y785 HydrophobicContact CE2-CD2 4.41Å; F634-Y785 AromaticContact CE2-CE1 3.64Å; F634-Y785 HydrophobicContact CE2-CE1 3.64Å; F634-Y785 AromaticContact CE2-CG 3.77Å; F634-Y785 HydrophobicContact CE2-CG 3.77Å; F634-Y785 HydrophobicContact CG-CE1 4.43Å; F634-Y785 PolarHBondContact N-OH 2.95Å; F634-Q786 HydrophobicContact CE1-CB 3.98Å; F634-Q786 HydrophobicContact CE1-CG 3.84Å; F634-Q786 HydrophobicContact CE2-CB 4.07Å; F634-Q786 HydrophobicContact CZ-CB 3.58Å; F634-Q786 HydrophobicContact CZ-CG 3.96Å; F634-A789 HydrophobicContact CB-CB 3.37Å; F634-A789 HydrophobicContact CD2-CB 4.1Å; F634-A789 HydrophobicContact CG-CB 3.82Å; F634-F799 WeakPolarHBondContact CA-O 3.38Å; F634-K800 HydrophobicContact CD1-CB 3.71Å; F634-K800 HydrophobicContact CD1-CG 4.03Å; F634-K800 HydrophobicContact CE1-CB 3.43Å; F634-K800 VanDerWaalsContact CE1-CB 3.43Å; F634-K800 HydrophobicContact CE1-CD 3.65Å; F634-K800 HydrophobicContact CE1-CG 3.38Å; F634-K800 HydrophobicContact CZ-CB 4.46Å; F634-K800 HydrophobicContact CZ-CD 4.04Å; F634-K800 HydrophobicContact CZ-CG 3.94Å; F634-L816 HydrophobicContact CD1-CD1 3.81Å; F634-L816 HydrophobicContact CE1-CD1 3.82Å
635	G	88.1	Confident	82.1	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	162.8	-179.9	0	0	0	0	0	114.2	F799	G635-F799 PolarHBondContact N-O 3.26Å; G635-F799 PolarHBondContact O-N 3.15Å
636	P	91.4	Very high	84.2	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	172.5	175.9	28.5	-36.6	0	0	0	112.7	P638 W639 T754 P755	P636-P638 VanDerWaalsContact C-N 3.3Å; P636-P638 WeakPolarHBondContact O-CD 3.45Å; P636-P638 VanDerWaalsContact O-N 3.07Å; P636-W639 PolarHBondContact O-N 3.08Å; P636-W639 VanDerWaalsContact O-N 3.1Å; P636-T754 HydrophobicContact CG-CG2 4.49Å; P636-P755 HydrophobicContact CG-CB 3.86Å; P636-P755 HydrophobicContact CG-CG 3.67Å
637	S	92.5	Very high	86.2	Confident	27 Å²	27	16 Å²	16	19%	0.189	8%	0.075	C	C	.	.	H	α-helix	trans	-42.2	-39.6	179.1	-56.3	0	0	0	0	116.6	W639 Y640 V641	S637-W639 VanDerWaalsContact C-N 3.3Å; S637-W639 PolarHBondContact O-N 2.75Å; S637-Y640 WeakPolarHBondContact O-CB 3.41Å; S637-Y640 PolarHBondContact O-N 3.25Å; S637-V641 WeakPolarHBondContact O-CG2 3.49Å; S637-V641 PolarHBondContact O-N 3.24Å
638	P	93	Very high	88	Confident	13 Å²	13	16 Å²	16	8%	0.084	8%	0.075	C	C	.	.	H	α-helix	trans	-58.5	-37.5	-179.9	-27.1	36.8	0	0	0	114	P636 F642 V748 I749	P636-P638 VanDerWaalsContact C-N 3.3Å; P636-P638 WeakPolarHBondContact O-CD 3.45Å; P636-P638 VanDerWaalsContact O-N 3.07Å; P638-F642 WeakPolarHBondContact O-CB 3.39Å; P638-F642 PolarHBondContact O-N 3.21Å; P638-V748 HydrophobicContact CB-CG1 4.09Å; P638-V748 HydrophobicContact CG-CG1 3.61Å; P638-I749 HydrophobicContact CB-CD1 4.43Å; P638-I749 HydrophobicContact CB-CG1 3.75Å
639	W	92.2	Very high	89.7	Confident	1 Å²	1	13.9 Å²	13.9	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-65	-43.5	176.5	-82.5	108.3	0	0	0	112	I521 M525 L633 P636 S637 L643 I749 F759 I801	I521-W639 HydrophobicContact CG2-CH2 4.01Å; I521-W639 HydrophobicContact CG2-CZ3 4.33Å; M525-W639 HydrophobicContact CE-CH2 3.41Å; M525-W639 VanDerWaalsContact CE-CH2 3.41Å; M525-W639 HydrophobicContact CE-CZ3 3.61Å; L633-W639 HydrophobicContact CD2-CD2 4.07Å; L633-W639 HydrophobicContact CD2-CE3 3.97Å; L633-W639 HydrophobicContact CD2-CZ3 4.36Å; P636-W639 PolarHBondContact O-N 3.08Å; P636-W639 VanDerWaalsContact O-N 3.1Å; S637-W639 VanDerWaalsContact C-N 3.3Å; S637-W639 PolarHBondContact O-N 2.75Å; W639-L643 WeakPolarHBondContact O-CB 3.31Å; W639-L643 WeakPolarHBondContact O-CG 3.49Å; W639-L643 PolarHBondContact O-N 3.17Å; W639-I749 HydrophobicContact CD2-CD1 3.95Å; W639-I749 HydrophobicContact CD2-CG1 4.38Å; W639-I749 HydrophobicContact CD2-CG2 4.43Å; W639-I749 HydrophobicContact CE3-CD1 4.04Å; W639-I749 HydrophobicContact CG-CD1 4.3Å; W639-I749 HydrophobicContact CG-CG1 4.48Å; W639-I749 HydrophobicContact CH2-CG2 4.01Å; W639-I749 HydrophobicContact CZ2-CG2 3.44Å; W639-I749 VanDerWaalsContact CZ2-CG2 3.44Å; W639-I749 HydrophobicContact CZ3-CD1 4.4Å; W639-F759 HydrophobicContact CH2-CD2 4.22Å; W639-F759 HydrophobicContact CZ2-CB 4.22Å; W639-F759 AromaticContact CZ2-CD2 3.95Å; W639-F759 HydrophobicContact CZ2-CD2 3.95Å; W639-F759 HydrophobicContact CZ2-CG 4.3Å; W639-I801 HydrophobicContact CB-CD1 4.01Å
640	Y	93.4	Very high	91.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.3	-52	176.4	168.8	-98.5	0	0	0	111.2	L454 L455 V458 S637 L643 R644 F799 F813	L454-Y640 HydrophobicContact CB-CE1 4.21Å; L455-Y640 HydrophobicContact CD2-CD1 3.86Å; L455-Y640 HydrophobicContact CD2-CE1 4.37Å; V458-Y640 HydrophobicContact CG2-CE1 3.78Å; V458-Y640 HydrophobicContact CG2-CE2 3.67Å; V458-Y640 WeakPolarHBondContact CG2-OH 3.39Å; S637-Y640 WeakPolarHBondContact O-CB 3.41Å; S637-Y640 PolarHBondContact O-N 3.25Å; Y640-L643 PolarHBondContact O-N 3.04Å; Y640-R644 HydrophobicContact CD2-CG 4.14Å; Y640-R644 HydrophobicContact CE1-CG 4.09Å; Y640-R644 HydrophobicContact CE2-CG 3.59Å; Y640-R644 WeakPolarHBondContact O-CB 3.43Å; Y640-R644 VanDerWaalsContact O-CG 3.26Å; Y640-R644 WeakPolarHBondContact O-CG 3.19Å; Y640-R644 PolarHBondContact O-N 3.35Å; Y640-R644 PolarHBondContact OH-NE 3.46Å; Y640-R644 VanDerWaalsContact OH-NE 3.14Å; Y640-F799 HydrophobicContact CD1-CE1 4.15Å; Y640-F799 HydrophobicContact CD1-CZ 4.26Å; Y640-F799 AromaticContact CD2-CD1 3.86Å; Y640-F799 HydrophobicContact CD2-CD1 3.86Å; Y640-F799 AromaticContact CD2-CE1 3.99Å; Y640-F799 HydrophobicContact CD2-CE1 3.99Å; Y640-F799 AromaticContact CG-CD1 3.89Å; Y640-F799 HydrophobicContact CG-CD1 3.89Å; Y640-F799 AromaticContact CG-CE1 3.8Å; Y640-F799 HydrophobicContact CG-CE1 3.8Å; Y640-F799 HydrophobicContact CG-CG 4.31Å; Y640-F799 HydrophobicContact CG-CZ 4.17Å; Y640-F813 HydrophobicContact CD2-CB 3.92Å; Y640-F813 AromaticContact CD2-CD1 3.41Å; Y640-F813 HydrophobicContact CD2-CD1 3.41Å; Y640-F813 VanDerWaalsContact CD2-CD1 3.41Å; Y640-F813 AromaticContact CD2-CE1 3.99Å; Y640-F813 HydrophobicContact CD2-CE1 3.99Å; Y640-F813 AromaticContact CD2-CG 3.71Å; Y640-F813 HydrophobicContact CD2-CG 3.71Å; Y640-F813 HydrophobicContact CE2-CB 3.81Å; Y640-F813 AromaticContact CE2-CD1 3.87Å; Y640-F813 HydrophobicContact CE2-CD1 3.87Å; Y640-F813 HydrophobicContact CE2-CD2 4.18Å; Y640-F813 HydrophobicContact CE2-CE1 4.46Å; Y640-F813 AromaticContact CE2-CG 3.68Å; Y640-F813 HydrophobicContact CE2-CG 3.68Å
641	V	94	Very high	91.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.2	-44.2	-176.8	178.7	0	0	0	0	110.7	T451 L454 L455 S637 R644 L645 Q745	T451-V641 HydrophobicContact CG2-CG1 4.17Å; T451-V641 HydrophobicContact CG2-CG2 3.96Å; L454-V641 HydrophobicContact CD1-CG1 4.08Å; L455-V641 HydrophobicContact CD1-CG2 4.48Å; L455-V641 HydrophobicContact CD2-CG2 4Å; L455-V641 HydrophobicContact CG-CG2 4.04Å; S637-V641 WeakPolarHBondContact O-CG2 3.49Å; S637-V641 PolarHBondContact O-N 3.24Å; V641-R644 PolarHBondContact O-N 3.32Å; V641-L645 HydrophobicContact CG1-CD1 3.91Å; V641-L645 HydrophobicContact CG1-CG 4.36Å; V641-L645 WeakPolarHBondContact O-CB 3.36Å; V641-L645 VanDerWaalsContact O-CG 3.3Å; V641-L645 WeakPolarHBondContact O-CG 3.47Å; V641-L645 PolarHBondContact O-N 2.86Å; V641-Q745 HydrophobicContact CB-CG 4.19Å; V641-Q745 HydrophobicContact CG1-CG 3.8Å
642	F	95	Very high	92.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.4	-49.8	178.1	174.7	-98.4	0	0	0	112.2	V522 L526 P638 R644 L645 Y646 M742 Q745 L746 I749	V522-F642 HydrophobicContact CG2-CZ 4.1Å; L526-F642 HydrophobicContact CD1-CE1 3.69Å; L526-F642 HydrophobicContact CD1-CZ 4.07Å; P638-F642 WeakPolarHBondContact O-CB 3.39Å; P638-F642 PolarHBondContact O-N 3.21Å; F642-R644 PolarHBondContact O-N 3.06Å; F642-L645 PolarHBondContact O-N 3.07Å; F642-Y646 HydrophobicContact CE1-CD2 4.18Å; F642-Y646 AromaticContact CZ-CD2 3.86Å; F642-Y646 HydrophobicContact CZ-CD2 3.86Å; F642-Y646 HydrophobicContact CZ-CE2 4.47Å; F642-Y646 WeakPolarHBondContact O-CB 3.35Å; F642-Y646 PolarHBondContact O-N 2.98Å; F642-M742 HydrophobicContact CD2-CB 4.3Å; F642-M742 HydrophobicContact CE2-CB 4.34Å; F642-M742 HydrophobicContact CE2-CE 3.97Å; F642-M742 HydrophobicContact CZ-CE 4.4Å; F642-Q745 HydrophobicContact CB-CB 4.04Å; F642-L746 HydrophobicContact CD2-CB 4.21Å; F642-L746 HydrophobicContact CD2-CD1 4.45Å; F642-L746 HydrophobicContact CE2-CB 4.1Å; F642-L746 HydrophobicContact CE2-CD1 4.02Å; F642-L746 HydrophobicContact CE2-CD2 4.39Å; F642-L746 HydrophobicContact CE2-CG 4.38Å; F642-L746 HydrophobicContact CZ-CD1 4.08Å; F642-I749 HydrophobicContact CB-CD1 3.97Å; F642-I749 HydrophobicContact CD1-CD1 4.44Å; F642-I749 HydrophobicContact CG-CD1 4.18Å
643	L	93.6	Very high	92.9	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-67.7	-34	-179.1	-71.1	170.7	0	0	0	112.9	L526 W639 Y640 C647 I801 F803 F813	L526-L643 HydrophobicContact CD2-CD2 3.71Å; W639-L643 WeakPolarHBondContact O-CB 3.31Å; W639-L643 WeakPolarHBondContact O-CG 3.49Å; W639-L643 PolarHBondContact O-N 3.17Å; Y640-L643 PolarHBondContact O-N 3.04Å; L643-C647 PolarHBondContact O-N 3.22Å; L643-C647 VanDerWaalsContact O-N 3.08Å; L643-I801 HydrophobicContact CD1-CD1 3.8Å; L643-I801 HydrophobicContact CD1-CG2 3.88Å; L643-F803 HydrophobicContact CD1-CE1 4.18Å; L643-F803 HydrophobicContact CD1-CZ 3.7Å; L643-F803 HydrophobicContact CD2-CE1 4.31Å; L643-F803 HydrophobicContact CD2-CZ 4.44Å; L643-F813 HydrophobicContact CB-CE1 4.03Å; L643-F813 HydrophobicContact CB-CZ 3.96Å; L643-F813 HydrophobicContact CD1-CE1 4.31Å
644	R	93.9	Very high	93.1	Very high	51 Å²	51	11.4 Å²	11.4	19%	0.192	6%	0.056	C	C	.	.	H	α-helix	trans	-65	-46.6	173.4	-74.5	-74.8	-83.3	156.1	-8.4	111.7	Y640 V641 F642 Y646 C647 I648 F813	Y640-R644 HydrophobicContact CD2-CG 4.14Å; Y640-R644 HydrophobicContact CE1-CG 4.09Å; Y640-R644 HydrophobicContact CE2-CG 3.59Å; Y640-R644 WeakPolarHBondContact O-CB 3.43Å; Y640-R644 VanDerWaalsContact O-CG 3.26Å; Y640-R644 WeakPolarHBondContact O-CG 3.19Å; Y640-R644 PolarHBondContact O-N 3.35Å; Y640-R644 PolarHBondContact OH-NE 3.46Å; Y640-R644 VanDerWaalsContact OH-NE 3.14Å; V641-R644 PolarHBondContact O-N 3.32Å; F642-R644 PolarHBondContact O-N 3.06Å; R644-Y646 VanDerWaalsContact C-N 3.34Å; R644-C647 PolarHBondContact O-N 3.16Å; R644-I648 VanDerWaalsContact O-CG1 3.3Å; R644-I648 WeakPolarHBondContact O-CG1 3.25Å; R644-I648 PolarHBondContact O-N 3.03Å; R644-I648 VanDerWaalsContact O-N 3.15Å; R644-F813 HydrophobicContact CG-CE2 4.22Å; R644-F813 HydrophobicContact CG-CZ 4.17Å
645	L	94.5	Very high	93.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-65.5	-38.2	176.8	-69.1	175.5	0	0	0	111.9	K449 L454 V641 F642 C647 I648 L649 I738 T741 M742	K449-L645 HydrophobicContact CB-CD2 4.09Å; L454-L645 HydrophobicContact CD1-CD2 3.87Å; L454-L645 HydrophobicContact CD1-CG 4.05Å; V641-L645 HydrophobicContact CG1-CD1 3.91Å; V641-L645 HydrophobicContact CG1-CG 4.36Å; V641-L645 WeakPolarHBondContact O-CB 3.36Å; V641-L645 VanDerWaalsContact O-CG 3.3Å; V641-L645 WeakPolarHBondContact O-CG 3.47Å; V641-L645 PolarHBondContact O-N 2.86Å; F642-L645 PolarHBondContact O-N 3.07Å; L645-C647 VanDerWaalsContact C-N 3.32Å; L645-C647 PolarHBondContact O-N 3.49Å; L645-I648 PolarHBondContact O-N 3.43Å; L645-L649 PolarHBondContact O-N 2.89Å; L645-I738 HydrophobicContact CB-CG2 4.36Å; L645-I738 HydrophobicContact CD2-CG2 4.42Å; L645-T741 HydrophobicContact CD1-CG2 3.57Å; L645-M742 HydrophobicContact CB-CG 3.46Å; L645-M742 VanDerWaalsContact CB-CG 3.46Å; L645-M742 HydrophobicContact CB-SD 4.06Å; L645-M742 HydrophobicContact CD1-CG 4.03Å; L645-M742 HydrophobicContact CG-CG 4.4Å
646	Y	94.5	Very high	93.4	Very high	3 Å²	3	13 Å²	13	1%	0.012	7%	0.072	C	C	.	.	H	α-helix	trans	-58	-45.8	174.6	-161.4	-70.1	0	0	0	111.3	F486 F493 T496 G497 V522 L526 F642 R644 L649 S650 M742	F486-Y646 AromaticContact CE1-CD1 3.77Å; F486-Y646 HydrophobicContact CE1-CD1 3.77Å; F486-Y646 HydrophobicContact CE1-CE1 4.47Å; F493-Y646 HydrophobicContact CD2-CD1 4.49Å; F493-Y646 AromaticContact CD2-CE1 3.66Å; F493-Y646 HydrophobicContact CD2-CE1 3.66Å; F493-Y646 HydrophobicContact CE1-CE1 4.37Å; F493-Y646 HydrophobicContact CE2-CD1 4.23Å; F493-Y646 AromaticContact CE2-CE1 3.52Å; F493-Y646 HydrophobicContact CE2-CE1 3.52Å; F493-Y646 HydrophobicContact CG-CE1 4.16Å; F493-Y646 AromaticContact CZ-CE1 3.9Å; F493-Y646 HydrophobicContact CZ-CE1 3.9Å; F493-Y646 PolarHBondContact O-OH 3.09Å; T496-Y646 HydrophobicContact CG2-CD1 3.74Å; T496-Y646 HydrophobicContact CG2-CD2 3.95Å; T496-Y646 HydrophobicContact CG2-CE1 3.64Å; T496-Y646 HydrophobicContact CG2-CE2 3.84Å; T496-Y646 HydrophobicContact CG2-CG 3.91Å; G497-Y646 PolarHBondContact N-OH 3.5Å; V522-Y646 HydrophobicContact CG1-CE2 4.43Å; L526-Y646 HydrophobicContact CD1-CD2 4.17Å; L526-Y646 HydrophobicContact CD1-CE2 3.9Å; F642-Y646 HydrophobicContact CE1-CD2 4.18Å; F642-Y646 AromaticContact CZ-CD2 3.86Å; F642-Y646 HydrophobicContact CZ-CD2 3.86Å; F642-Y646 HydrophobicContact CZ-CE2 4.47Å; F642-Y646 WeakPolarHBondContact O-CB 3.35Å; F642-Y646 PolarHBondContact O-N 2.98Å; R644-Y646 VanDerWaalsContact C-N 3.34Å; Y646-L649 PolarHBondContact O-N 2.9Å; Y646-S650 WeakPolarHBondContact O-CB 3.33Å; Y646-S650 PolarHBondContact O-N 3.28Å; Y646-S650 PolarHBondContact O-OG 2.93Å; Y646-M742 HydrophobicContact CD2-CE 3.48Å; Y646-M742 VanDerWaalsContact CD2-CE 3.48Å; Y646-M742 HydrophobicContact CE2-CE 4.39Å; Y646-M742 HydrophobicContact CG-CE 3.89Å
647	C	93.2	Very high	93.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.9	-47.9	177.3	-163.6	0	0	0	0	111.5	V484 F486 L643 R644 L645 L649 S650 E651	V484-C647 HydrophobicContact CG1-CB 3.81Å; V484-C647 WeakPolarHBondContact CG1-SG 3.38Å; F486-C647 HydrophobicContact CD1-CB 4.37Å; F486-C647 HydrophobicContact CD2-CB 4.33Å; F486-C647 HydrophobicContact CE1-CB 3.97Å; F486-C647 HydrophobicContact CE2-CB 3.89Å; F486-C647 HydrophobicContact CZ-CB 3.7Å; L643-C647 PolarHBondContact O-N 3.22Å; L643-C647 VanDerWaalsContact O-N 3.08Å; R644-C647 PolarHBondContact O-N 3.16Å; L645-C647 VanDerWaalsContact C-N 3.32Å; L645-C647 PolarHBondContact O-N 3.49Å; C647-L649 VanDerWaalsContact C-N 3.34Å; C647-L649 PolarHBondContact O-N 2.91Å; C647-S650 WeakPolarHBondContact CA-OG 3.49Å; C647-S650 PolarHBondContact O-N 2.95Å; C647-S650 VanDerWaalsContact O-N 3.16Å; C647-S650 PolarHBondContact O-OG 3.36Å; C647-E651 WeakPolarHBondContact O-CG 3.5Å; C647-E651 PolarHBondContact O-N 2.87Å; C647-E651 PolarHBondContact SG-OE1 3.45Å
648	I	93.3	Very high	93.4	Very high	18 Å²	18	17.9 Å²	17.9	9%	0.092	9%	0.092	C	C	.	.	H	α-helix	trans	-61.4	-42.1	-178.9	-65.5	169.4	0	0	0	111.5	K449 R644 L645 R652 I738	K449-I648 HydrophobicContact CD-CD1 3.64Å; K449-I648 HydrophobicContact CD-CG2 4.47Å; R644-I648 VanDerWaalsContact O-CG1 3.3Å; R644-I648 WeakPolarHBondContact O-CG1 3.25Å; R644-I648 PolarHBondContact O-N 3.03Å; R644-I648 VanDerWaalsContact O-N 3.15Å; L645-I648 PolarHBondContact O-N 3.43Å; I648-R652 WeakPolarHBondContact O-CG 3.45Å; I648-R652 PolarHBondContact O-N 2.98Å; I648-R652 VanDerWaalsContact O-N 3.15Å; I648-I738 HydrophobicContact CG2-CD1 4.25Å
649	L	94.6	Very high	93.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-44.2	175.8	-176.5	52.6	0	0	0	111.1	T496 L645 Y646 C647 E651 R652 L653 I735 I738 V739 M742	T496-L649 HydrophobicContact CG2-CB 4Å; T496-L649 HydrophobicContact CG2-CD2 3.83Å; T496-L649 HydrophobicContact CG2-CG 3.88Å; L645-L649 PolarHBondContact O-N 2.89Å; Y646-L649 PolarHBondContact O-N 2.9Å; C647-L649 VanDerWaalsContact C-N 3.34Å; C647-L649 PolarHBondContact O-N 2.91Å; L649-E651 VanDerWaalsContact C-N 3.35Å; L649-E651 PolarHBondContact O-N 2.78Å; L649-R652 WeakPolarHBondContact O-CB 3.47Å; L649-R652 PolarHBondContact O-N 2.8Å; L649-L653 HydrophobicContact CD1-CG 4.35Å; L649-L653 WeakPolarHBondContact O-CG 3.45Å; L649-L653 PolarHBondContact O-N 3.02Å; L649-I735 HydrophobicContact CD1-CB 4.5Å; L649-I735 HydrophobicContact CD1-CG1 4.13Å; L649-I735 HydrophobicContact CD1-CG2 3.88Å; L649-I738 HydrophobicContact CB-CG2 4.04Å; L649-I738 HydrophobicContact CD2-CG2 4.39Å; L649-V739 HydrophobicContact CD2-CG2 3.64Å; L649-M742 HydrophobicContact CB-SD 4.24Å; L649-M742 HydrophobicContact CD2-SD 3.8Å
650	S	93.4	Very high	93.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-37.4	178.3	71.3	0	0	0	0	113	P487 T496 Y646 C647 R652 L653 S654	P487-S650 WeakPolarHBondContact CD-OG 3.36Å; P487-S650 WeakPolarHBondContact CG-OG 3.44Å; T496-S650 VanDerWaalsContact OG1-CA 3.31Å; T496-S650 WeakPolarHBondContact OG1-CA 3.46Å; T496-S650 WeakPolarHBondContact OG1-CB 3.3Å; Y646-S650 WeakPolarHBondContact O-CB 3.33Å; Y646-S650 PolarHBondContact O-N 3.28Å; Y646-S650 PolarHBondContact O-OG 2.93Å; C647-S650 WeakPolarHBondContact CA-OG 3.49Å; C647-S650 PolarHBondContact O-N 2.95Å; C647-S650 VanDerWaalsContact O-N 3.16Å; C647-S650 PolarHBondContact O-OG 3.36Å; S650-R652 VanDerWaalsContact C-N 3.35Å; S650-L653 PolarHBondContact O-N 2.78Å; S650-S654 WeakPolarHBondContact O-CB 3.48Å; S650-S654 PolarHBondContact O-N 3.43Å
651	E	93	Very high	92.8	Very high	90 Å²	90	24.4 Å²	24.4	42%	0.421	12%	0.115	S	C	.	.	H	α-helix	trans	-63.6	-40.4	174.4	-76.7	171.3	-163.5	0	0	111.5	C647 L649 G655	C647-E651 WeakPolarHBondContact O-CG 3.5Å; C647-E651 PolarHBondContact O-N 2.87Å; C647-E651 PolarHBondContact SG-OE1 3.45Å; L649-E651 VanDerWaalsContact C-N 3.35Å; L649-E651 PolarHBondContact O-N 2.78Å; E651-G655 PolarHBondContact O-N 2.64Å
652	R	93.5	Very high	92.5	Very high	19 Å²	19	26.3 Å²	26.3	7%	0.072	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-48.1	176.2	-71.8	175.1	-178.7	-157.8	10.8	111.9	D445 I648 L649 S650 S654 G655 F656 K731 T734	D445-R652 IonicContact OD1-NH2 3.43Å; D445-R652 PolarHBondContact OD1-NH2 3.41Å; D445-R652 IonicContact OD2-CZ 3.67Å; D445-R652 IonicContact OD2-NH1 3.36Å; D445-R652 IonicContact OD2-NH2 2.67Å; D445-R652 PolarHBondContact OD2-NH2 3.32Å; I648-R652 WeakPolarHBondContact O-CG 3.45Å; I648-R652 PolarHBondContact O-N 2.98Å; I648-R652 VanDerWaalsContact O-N 3.15Å; L649-R652 WeakPolarHBondContact O-CB 3.47Å; L649-R652 PolarHBondContact O-N 2.8Å; S650-R652 VanDerWaalsContact C-N 3.35Å; R652-S654 VanDerWaalsContact C-N 3.31Å; R652-S654 PolarHBondContact O-N 3.46Å; R652-G655 WeakPolarHBondContact O-CA 3.49Å; R652-G655 PolarHBondContact O-N 3.02Å; R652-G655 VanDerWaalsContact O-N 3.09Å; R652-F656 WeakPolarHBondContact O-CD2 3.3Å; R652-F656 PolarHBondContact O-N 3.08Å; R652-K731 PolarHBondContact NH1-O 2.76Å; R652-T734 PolarHBondContact NH1-OG1 3.08Å
653	L	94.2	Very high	92.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-41.9	177	-66.8	-176.4	0	0	0	111.3	A492 D495 T496 L499 L649 S650 G655 F656 Y657 Y697 F700	A492-L653 HydrophobicContact CB-CB 4.06Å; D495-L653 HydrophobicContact CB-CD1 4Å; T496-L653 WeakPolarHBondContact OG1-CD1 3.38Å; L499-L653 HydrophobicContact CD1-CD1 3.92Å; L499-L653 HydrophobicContact CD1-CD2 4.16Å; L649-L653 HydrophobicContact CD1-CG 4.35Å; L649-L653 WeakPolarHBondContact O-CG 3.45Å; L649-L653 PolarHBondContact O-N 3.02Å; S650-L653 PolarHBondContact O-N 2.78Å; L653-G655 VanDerWaalsContact C-N 3.3Å; L653-G655 PolarHBondContact O-N 2.78Å; L653-F656 PolarHBondContact O-N 3.34Å; L653-Y657 PolarHBondContact O-N 2.79Å; L653-Y697 WeakPolarHBondContact O-CE2 3.2Å; L653-F700 HydrophobicContact CD2-CE1 3.9Å
654	S	93	Very high	91.6	Very high	13 Å²	13	28.3 Å²	28.3	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-41.1	172.8	-167.2	0	0	0	0	111.6	S650 R652 F656 Y657 D658	S650-S654 WeakPolarHBondContact O-CB 3.48Å; S650-S654 PolarHBondContact O-N 3.43Å; R652-S654 VanDerWaalsContact C-N 3.31Å; R652-S654 PolarHBondContact O-N 3.46Å; S654-F656 VanDerWaalsContact C-N 3.35Å; S654-F656 PolarHBondContact O-N 3.13Å; S654-Y657 WeakPolarHBondContact O-CB 3.47Å; S654-Y657 PolarHBondContact O-N 2.91Å; S654-D658 PolarHBondContact O-N 2.86Å
655	G	92.5	Very high	91.1	Very high	32 Å²	32	29.2 Å²	29.2	33%	0.33	15%	0.154	S	C	.	.	H	α-helix	trans	-62.7	-36.6	175.4	0	0	0	0	0	113.7	E651 R652 L653 A659	E651-G655 PolarHBondContact O-N 2.64Å; R652-G655 WeakPolarHBondContact O-CA 3.49Å; R652-G655 PolarHBondContact O-N 3.02Å; R652-G655 VanDerWaalsContact O-N 3.09Å; L653-G655 VanDerWaalsContact C-N 3.3Å; L653-G655 PolarHBondContact O-N 2.78Å; G655-A659 VanDerWaalsContact O-CB 3.27Å; G655-A659 WeakPolarHBondContact O-CB 3.24Å; G655-A659 PolarHBondContact O-N 3.33Å
656	F	93.1	Very high	90.6	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-72.6	-34.7	173.8	-76.5	-68.7	0	0	0	112.7	R652 L653 S654 A659 S660 Y697 F700 V721 F725 K731 A732 I735	R652-F656 WeakPolarHBondContact O-CD2 3.3Å; R652-F656 PolarHBondContact O-N 3.08Å; L653-F656 PolarHBondContact O-N 3.34Å; S654-F656 VanDerWaalsContact C-N 3.35Å; S654-F656 PolarHBondContact O-N 3.13Å; F656-A659 PolarHBondContact O-N 3.42Å; F656-S660 WeakPolarHBondContact O-CB 3.34Å; F656-S660 PolarHBondContact O-N 3.2Å; F656-S660 PolarHBondContact O-OG 2.89Å; F656-Y697 HydrophobicContact CB-CD2 4.41Å; F656-Y697 HydrophobicContact CB-CE2 4.44Å; F656-F700 HydrophobicContact CB-CD1 4.1Å; F656-F700 HydrophobicContact CB-CE1 3.88Å; F656-F700 HydrophobicContact CB-CZ 4.45Å; F656-F700 HydrophobicContact CD1-CE1 4.48Å; F656-F700 HydrophobicContact CD1-CE2 4.43Å; F656-F700 HydrophobicContact CD1-CZ 4.29Å; F656-F700 AromaticContact CD2-CE1 3.76Å; F656-F700 HydrophobicContact CD2-CE1 3.76Å; F656-F700 HydrophobicContact CD2-CE2 4.41Å; F656-F700 AromaticContact CD2-CZ 3.59Å; F656-F700 HydrophobicContact CD2-CZ 3.59Å; F656-F700 HydrophobicContact CE1-CE2 4.46Å; F656-F700 HydrophobicContact CE2-CE1 4.48Å; F656-F700 HydrophobicContact CE2-CE2 4.46Å; F656-F700 AromaticContact CE2-CZ 3.86Å; F656-F700 HydrophobicContact CE2-CZ 3.86Å; F656-F700 HydrophobicContact CG-CD1 4.3Å; F656-F700 AromaticContact CG-CE1 3.78Å; F656-F700 HydrophobicContact CG-CE1 3.78Å; F656-F700 HydrophobicContact CG-CE2 4.42Å; F656-F700 AromaticContact CG-CZ 3.85Å; F656-F700 HydrophobicContact CG-CZ 3.85Å; F656-F700 HydrophobicContact CZ-CZ 4.34Å; F656-V721 HydrophobicContact CE1-CG1 4.39Å; F656-F725 HydrophobicContact CB-CZ 4.43Å; F656-F725 HydrophobicContact CD1-CD1 4.03Å; F656-F725 AromaticContact CD1-CD2 3.67Å; F656-F725 HydrophobicContact CD1-CD2 3.67Å; F656-F725 HydrophobicContact CD1-CE1 4.09Å; F656-F725 AromaticContact CD1-CE2 3.71Å; F656-F725 HydrophobicContact CD1-CE2 3.71Å; F656-F725 AromaticContact CD1-CG 3.81Å; F656-F725 HydrophobicContact CD1-CG 3.81Å; F656-F725 AromaticContact CD1-CZ 3.93Å; F656-F725 HydrophobicContact CD1-CZ 3.93Å; F656-F725 HydrophobicContact CE1-CB 4.22Å; F656-F725 AromaticContact CE1-CD2 3.8Å; F656-F725 HydrophobicContact CE1-CD2 3.8Å; F656-F725 HydrophobicContact CE1-CE2 4.26Å; F656-F725 AromaticContact CE1-CG 3.95Å; F656-F725 HydrophobicContact CE1-CG 3.95Å; F656-K731 HydrophobicContact CE2-CB 4.08Å; F656-K731 HydrophobicContact CZ-CB 4.04Å; F656-A732 HydrophobicContact CE1-CB 4.41Å; F656-A732 HydrophobicContact CE2-CB 3.89Å; F656-A732 HydrophobicContact CZ-CB 3.57Å; F656-I735 HydrophobicContact CE2-CD1 4.49Å
657	Y	92.2	Very high	89.8	Confident	62 Å²	62	36 Å²	36	24%	0.243	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-48	171.9	-173.9	-92.7	0	0	0	111.1	L653 S654 A659 S660 R661 D694 Y697	L653-Y657 PolarHBondContact O-N 2.79Å; S654-Y657 WeakPolarHBondContact O-CB 3.47Å; S654-Y657 PolarHBondContact O-N 2.91Å; Y657-A659 VanDerWaalsContact C-N 3.32Å; Y657-A659 PolarHBondContact O-N 3.09Å; Y657-S660 WeakPolarHBondContact O-CB 3.47Å; Y657-S660 PolarHBondContact O-N 2.92Å; Y657-R661 PolarHBondContact O-N 3.46Å; Y657-D694 WeakPolarHBondContact CE2-OD1 3.37Å; Y657-D694 PolarHBondContact OH-OD1 3.32Å; Y657-Y697 AromaticContact CD2-CD1 3.85Å; Y657-Y697 HydrophobicContact CD2-CD1 3.85Å; Y657-Y697 HydrophobicContact CD2-CD2 4.11Å; Y657-Y697 HydrophobicContact CD2-CE1 4.21Å; Y657-Y697 HydrophobicContact CD2-CE2 4.45Å; Y657-Y697 AromaticContact CD2-CG 3.78Å; Y657-Y697 HydrophobicContact CD2-CG 3.78Å
658	D	91.7	Very high	88.8	Confident	68 Å²	68	39.4 Å²	39.4	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-37.8	175.6	-71.5	-36	0	0	0	111.9	S654 R661 D662	S654-D658 PolarHBondContact O-N 2.86Å; D658-R661 PolarHBondContact O-N 2.96Å; D658-R661 IonicContact OD1-NH2 3.88Å; D658-D662 WeakPolarHBondContact O-CB 3.32Å; D658-D662 PolarHBondContact O-N 3.34Å
659	A	89.4	Confident	88.2	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-37.6	174.6	0	0	0	0	0	112.8	G655 F656 Y657 R661 D662 L663 F725	G655-A659 VanDerWaalsContact O-CB 3.27Å; G655-A659 WeakPolarHBondContact O-CB 3.24Å; G655-A659 PolarHBondContact O-N 3.33Å; F656-A659 PolarHBondContact O-N 3.42Å; Y657-A659 VanDerWaalsContact C-N 3.32Å; Y657-A659 PolarHBondContact O-N 3.09Å; A659-R661 VanDerWaalsContact C-N 3.33Å; A659-D662 PolarHBondContact O-N 2.92Å; A659-L663 WeakPolarHBondContact O-CB 3.16Å; A659-L663 WeakPolarHBondContact O-CG 3.34Å; A659-L663 PolarHBondContact O-N 3.39Å; A659-F725 HydrophobicContact CB-CD1 3.93Å; A659-F725 HydrophobicContact CB-CE1 4.15Å
660	S	89	Confident	87.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-40.3	174.7	-56.4	0	0	0	0	111.1	F656 Y657 A664 P693 F725	F656-S660 WeakPolarHBondContact O-CB 3.34Å; F656-S660 PolarHBondContact O-N 3.2Å; F656-S660 PolarHBondContact O-OG 2.89Å; Y657-S660 WeakPolarHBondContact O-CB 3.47Å; Y657-S660 PolarHBondContact O-N 2.92Å; S660-A664 WeakPolarHBondContact O-CB 3.47Å; S660-A664 PolarHBondContact O-N 3.12Å; S660-P693 WeakPolarHBondContact CB-O 3.45Å; S660-F725 WeakPolarHBondContact OG-CE1 3.46Å
661	R	87.9	Confident	86.5	Confident	150 Å²	150	59.5 Å²	59.5	57%	0.566	31%	0.313	S	S	*	.	H	α-helix	trans	-66	-43	173.8	-170.3	-176.5	68.7	-178.3	-3.8	112.5	Y657 D658 A659 A664 S665 P693	Y657-R661 PolarHBondContact O-N 3.46Å; D658-R661 PolarHBondContact O-N 2.96Å; D658-R661 IonicContact OD1-NH2 3.88Å; A659-R661 VanDerWaalsContact C-N 3.33Å; R661-A664 PolarHBondContact O-N 3.12Å; R661-S665 WeakPolarHBondContact O-CB 3.42Å; R661-S665 PolarHBondContact O-N 3.3Å; R661-S665 PolarHBondContact O-OG 3.26Å; R661-P693 HydrophobicContact CB-CB 4.38Å
662	D	87.5	Confident	85.8	Confident	40 Å²	40	57.1 Å²	57.1	21%	0.214	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-47.6	177.8	-171.7	29.8	0	0	0	110.8	D658 A659 S665 K666 R728	D658-D662 WeakPolarHBondContact O-CB 3.32Å; D658-D662 PolarHBondContact O-N 3.34Å; A659-D662 PolarHBondContact O-N 2.92Å; D662-S665 PolarHBondContact O-N 3Å; D662-S665 PolarHBondContact O-OG 2.98Å; D662-K666 WeakPolarHBondContact O-CB 3.41Å; D662-K666 WeakPolarHBondContact O-CG 3.46Å; D662-K666 PolarHBondContact O-N 2.94Å; D662-K666 WeakPolarHBondContact OD1-CD 3.3Å; D662-K666 WeakPolarHBondContact OD1-CE 2.92Å; D662-K666 IonicContact OD1-NZ 2.63Å; D662-K666 PolarHBondContact OD1-NZ 3.05Å; D662-K666 IonicContact OD2-NZ 3.64Å; D662-K666 PolarHBondContact OD2-NZ 3.18Å; D662-R728 IonicContact OD2-CZ 3.84Å; D662-R728 IonicContact OD2-NH1 2.9Å; D662-R728 PolarHBondContact OD2-NH1 3.29Å; D662-R728 IonicContact OD2-NH2 3.71Å; D662-R728 PolarHBondContact OD2-NH2 3.4Å
663	L	85	Confident	84.9	Confident	13 Å²	13	59.7 Å²	59.7	7%	0.068	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-49.1	174.2	-72.9	167.2	0	0	0	111.6	A659 S665 K666 F667 Y676 L681 V724 F725	A659-L663 WeakPolarHBondContact O-CB 3.16Å; A659-L663 WeakPolarHBondContact O-CG 3.34Å; A659-L663 PolarHBondContact O-N 3.39Å; L663-S665 PolarHBondContact O-N 3.42Å; L663-K666 PolarHBondContact O-N 3.44Å; L663-F667 PolarHBondContact O-N 3.22Å; L663-Y676 PolarHBondContact O-OH 2.8Å; L663-L681 HydrophobicContact CD2-CD1 4.45Å; L663-V724 WeakPolarHBondContact CD1-O 3.13Å; L663-F725 HydrophobicContact CD1-CD1 4.05Å; L663-F725 HydrophobicContact CD1-CE1 4.38Å
664	A	84.1	Confident	83.9	Confident	29 Å²	29	64.9 Å²	64.9	24%	0.24	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-33.8	177.8	0	0	0	0	0	112.8	S660 R661 P693	S660-A664 WeakPolarHBondContact O-CB 3.47Å; S660-A664 PolarHBondContact O-N 3.12Å; R661-A664 PolarHBondContact O-N 3.12Å; A664-P693 HydrophobicContact CB-CB 4.13Å
665	S	84.2	Confident	82.9	Confident	71 Å²	71	65 Å²	65	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-77.7	-30	-179.3	72.1	0	0	0	0	114.6	R661 D662 L663 F667	R661-S665 WeakPolarHBondContact O-CB 3.42Å; R661-S665 PolarHBondContact O-N 3.3Å; R661-S665 PolarHBondContact O-OG 3.26Å; D662-S665 PolarHBondContact O-N 3Å; D662-S665 PolarHBondContact O-OG 2.98Å; L663-S665 PolarHBondContact O-N 3.42Å; S665-F667 VanDerWaalsContact C-N 3.29Å
666	K	83.3	Confident	82.1	Confident	43 Å²	43	64.5 Å²	64.5	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-84.7	-5.2	-179.1	-75	172.2	171	160.3	0	113	D662 L663 G668 Q669 F672 L675	D662-K666 WeakPolarHBondContact O-CB 3.41Å; D662-K666 WeakPolarHBondContact O-CG 3.46Å; D662-K666 PolarHBondContact O-N 2.94Å; D662-K666 WeakPolarHBondContact OD1-CD 3.3Å; D662-K666 WeakPolarHBondContact OD1-CE 2.92Å; D662-K666 IonicContact OD1-NZ 2.63Å; D662-K666 PolarHBondContact OD1-NZ 3.05Å; D662-K666 IonicContact OD2-NZ 3.64Å; D662-K666 PolarHBondContact OD2-NZ 3.18Å; L663-K666 PolarHBondContact O-N 3.44Å; K666-G668 PolarHBondContact O-N 2.75Å; K666-Q669 PolarHBondContact O-N 2.57Å; K666-F672 HydrophobicContact CB-CB 4.12Å; K666-F672 HydrophobicContact CB-CD2 3.95Å; K666-F672 HydrophobicContact CB-CG 4.04Å; K666-F672 HydrophobicContact CD-CD1 3.91Å; K666-F672 HydrophobicContact CD-CD2 4.05Å; K666-F672 HydrophobicContact CD-CE1 4.05Å; K666-F672 HydrophobicContact CD-CE2 4.19Å; K666-F672 HydrophobicContact CD-CG 3.92Å; K666-F672 HydrophobicContact CD-CZ 4.19Å; K666-F672 HydrophobicContact CG-CD2 3.77Å; K666-F672 HydrophobicContact CG-CE2 4.01Å; K666-F672 HydrophobicContact CG-CG 4.05Å; K666-F672 HydrophobicContact CG-CZ 4.48Å; K666-L675 HydrophobicContact CD-CD1 4.43Å
667	F	77.9	Confident	81	Confident	103 Å²	103	68.7 Å²	68.7	45%	0.452	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	129.8	-179.1	179.7	-114.5	0	0	0	110.4	L663 S665 Y676 F685	L663-F667 PolarHBondContact O-N 3.22Å; S665-F667 VanDerWaalsContact C-N 3.29Å; F667-Y676 WeakPolarHBondContact CA-OH 3.25Å; F667-Y676 HydrophobicContact CB-CE1 4.25Å; F667-Y676 HydrophobicContact CD2-CD1 4.1Å; F667-Y676 AromaticContact CD2-CE1 3.78Å; F667-Y676 HydrophobicContact CD2-CE1 3.78Å; F667-Y676 HydrophobicContact CD2-CE2 4.37Å; F667-Y676 AromaticContact CD2-CZ 3.95Å; F667-Y676 HydrophobicContact CG-CE1 4.45Å; F667-Y676 PolarHBondContact N-OH 3.33Å; F667-F685 HydrophobicContact CB-CD1 4.01Å; F667-F685 HydrophobicContact CB-CE1 3.96Å; F667-F685 AromaticContact CD1-CD1 3.93Å; F667-F685 HydrophobicContact CD1-CD1 3.93Å; F667-F685 HydrophobicContact CD1-CE1 4.46Å; F667-F685 HydrophobicContact CD2-CB 3.81Å; F667-F685 AromaticContact CD2-CD1 3.39Å; F667-F685 HydrophobicContact CD2-CD1 3.39Å; F667-F685 HydrophobicContact CD2-CE1 4.18Å; F667-F685 AromaticContact CD2-CG 3.88Å; F667-F685 HydrophobicContact CD2-CG 3.88Å; F667-F685 HydrophobicContact CE1-CD1 4.26Å; F667-F685 HydrophobicContact CE2-CB 3.47Å; F667-F685 VanDerWaalsContact CE2-CB 3.47Å; F667-F685 AromaticContact CE2-CD1 3.83Å; F667-F685 HydrophobicContact CE2-CD1 3.83Å; F667-F685 HydrophobicContact CE2-CG 4.06Å; F667-F685 AromaticContact CG-CD1 3.47Å; F667-F685 HydrophobicContact CG-CD1 3.47Å; F667-F685 VanDerWaalsContact CG-CD1 3.47Å; F667-F685 AromaticContact CG-CE1 3.93Å; F667-F685 HydrophobicContact CG-CE1 3.93Å; F667-F685 HydrophobicContact CG-CG 4.4Å; F667-F685 HydrophobicContact CZ-CB 4.01Å; F667-F685 HydrophobicContact CZ-CD1 4.22Å; F667-F685 WeakPolarHBondContact CZ-O 3.42Å
668	G	72.7	Confident	79.9	Confident	72 Å²	72	66.1 Å²	66.1	74%	0.742	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-0.1	-177.1	0	0	0	0	0	115.5	K666	K666-G668 PolarHBondContact O-N 2.75Å
669	Q	80.4	Confident	78.8	Confident	95 Å²	95	66.2 Å²	66.2	44%	0.444	34%	0.344	S	S	.	.			trans	-93.5	124.4	173.7	-65.5	178.4	7	0	0	110.1	K666 E671 F672 S673	K666-Q669 PolarHBondContact O-N 2.57Å; Q669-E671 PolarHBondContact O-N 2.7Å; Q669-F672 HydrophobicContact CB-CD2 3.88Å; Q669-F672 PolarHBondContact O-N 2.77Å; Q669-S673 PolarHBondContact O-N 3.43Å
670	E	75.2	Confident	77.8	Confident	188 Å²	188	67.8 Å²	67.8	88%	0.879	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-56.5	-38.5	-178.2	-68.5	-175	170.1	0	0	112.4	F672 S673	E670-F672 PolarHBondContact O-N 2.9Å; E670-F672 VanDerWaalsContact O-N 3.08Å; E670-S673 WeakPolarHBondContact O-CB 3.28Å; E670-S673 PolarHBondContact O-N 3.23Å; E670-S673 VanDerWaalsContact O-N 3.15Å
671	E	77.6	Confident	76.9	Confident	157 Å²	157	67.8 Å²	67.8	73%	0.734	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-56.6	-27.2	178.2	-64.5	-175.4	178.2	0	0	113.4	Q669 Y674	Q669-E671 PolarHBondContact O-N 2.7Å; E671-Y674 WeakPolarHBondContact O-CD1 3.37Å; E671-Y674 WeakPolarHBondContact O-CE1 3.44Å
672	F	76.5	Confident	76	Confident	40 Å²	40	66 Å²	66	18%	0.175	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-110.9	9.7	-175.4	-62	-67	0	0	0	113.4	K666 Q669 E670 Y674 L675 Y676	K666-F672 HydrophobicContact CB-CB 4.12Å; K666-F672 HydrophobicContact CB-CD2 3.95Å; K666-F672 HydrophobicContact CB-CG 4.04Å; K666-F672 HydrophobicContact CD-CD1 3.91Å; K666-F672 HydrophobicContact CD-CD2 4.05Å; K666-F672 HydrophobicContact CD-CE1 4.05Å; K666-F672 HydrophobicContact CD-CE2 4.19Å; K666-F672 HydrophobicContact CD-CG 3.92Å; K666-F672 HydrophobicContact CD-CZ 4.19Å; K666-F672 HydrophobicContact CG-CD2 3.77Å; K666-F672 HydrophobicContact CG-CE2 4.01Å; K666-F672 HydrophobicContact CG-CG 4.05Å; K666-F672 HydrophobicContact CG-CZ 4.48Å; Q669-F672 HydrophobicContact CB-CD2 3.88Å; Q669-F672 PolarHBondContact O-N 2.77Å; E670-F672 PolarHBondContact O-N 2.9Å; E670-F672 VanDerWaalsContact O-N 3.08Å; F672-Y674 HydrophobicContact CD1-CE1 4.3Å; F672-Y674 PolarHBondContact O-N 2.88Å; F672-L675 HydrophobicContact CB-CD1 4.13Å; F672-L675 HydrophobicContact CD1-CD1 4.01Å; F672-L675 HydrophobicContact CG-CD1 4.44Å; F672-L675 WeakPolarHBondContact O-CB 3.27Å; F672-L675 PolarHBondContact O-N 3.46Å; F672-Y676 WeakPolarHBondContact O-CD2 3.47Å; F672-Y676 WeakPolarHBondContact O-CE2 3.12Å
673	S	74.9	Confident	75	Confident	73 Å²	73	69.4 Å²	69.4	51%	0.51	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-54.2	-38.3	-179.1	-171.4	0	0	0	0	112.5	Q669 E670 L675 Y676	Q669-S673 PolarHBondContact O-N 3.43Å; E670-S673 WeakPolarHBondContact O-CB 3.28Å; E670-S673 PolarHBondContact O-N 3.23Å; E670-S673 VanDerWaalsContact O-N 3.15Å; S673-L675 PolarHBondContact O-N 2.9Å; S673-L675 VanDerWaalsContact O-N 3.1Å; S673-Y676 PolarHBondContact O-N 3.28Å
674	Y	74.2	Confident	74.1	Confident	108 Å²	108	72.3 Å²	72.3	42%	0.424	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-56.7	-28.4	178.2	72.8	-88.4	0	0	0	113.6	W431 E671 F672 Y676 E677	W431-Y674 AromaticContact CH2-CD2 3.91Å; W431-Y674 HydrophobicContact CH2-CD2 3.91Å; W431-Y674 HydrophobicContact CH2-CE2 4.23Å; W431-Y674 WeakPolarHBondContact CZ2-O 3.24Å; E671-Y674 WeakPolarHBondContact O-CD1 3.37Å; E671-Y674 WeakPolarHBondContact O-CE1 3.44Å; F672-Y674 HydrophobicContact CD1-CE1 4.3Å; F672-Y674 PolarHBondContact O-N 2.88Å; Y674-Y676 PolarHBondContact O-N 3.08Å; Y674-E677 WeakPolarHBondContact O-CB 3.33Å; Y674-E677 PolarHBondContact O-N 3.1Å
675	L	72.2	Confident	73.5	Confident	17 Å²	17	71.3 Å²	71.3	9%	0.089	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-68.1	-25.7	178	-65.3	177	0	0	0	112.4	W431 K666 F672 S673 E677 L681	W431-L675 HydrophobicContact CH2-CD2 4.15Å; K666-L675 HydrophobicContact CD-CD1 4.43Å; F672-L675 HydrophobicContact CB-CD1 4.13Å; F672-L675 HydrophobicContact CD1-CD1 4.01Å; F672-L675 HydrophobicContact CG-CD1 4.44Å; F672-L675 WeakPolarHBondContact O-CB 3.27Å; F672-L675 PolarHBondContact O-N 3.46Å; S673-L675 PolarHBondContact O-N 2.9Å; S673-L675 VanDerWaalsContact O-N 3.1Å; L675-E677 VanDerWaalsContact C-N 3.3Å; L675-L681 WeakPolarHBondContact O-CD1 3.32Å
676	Y	75.4	Confident	72.5	Confident	21 Å²	21	72.4 Å²	72.4	8%	0.082	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-94	14.5	-178.3	-54.5	-84	0	0	0	112.5	L663 F667 F672 S673 Y674 L681 R682 F685	L663-Y676 PolarHBondContact O-OH 2.8Å; F667-Y676 WeakPolarHBondContact CA-OH 3.25Å; F667-Y676 HydrophobicContact CB-CE1 4.25Å; F667-Y676 HydrophobicContact CD2-CD1 4.1Å; F667-Y676 AromaticContact CD2-CE1 3.78Å; F667-Y676 HydrophobicContact CD2-CE1 3.78Å; F667-Y676 HydrophobicContact CD2-CE2 4.37Å; F667-Y676 AromaticContact CD2-CZ 3.95Å; F667-Y676 HydrophobicContact CG-CE1 4.45Å; F667-Y676 PolarHBondContact N-OH 3.33Å; F672-Y676 WeakPolarHBondContact O-CD2 3.47Å; F672-Y676 WeakPolarHBondContact O-CE2 3.12Å; S673-Y676 PolarHBondContact O-N 3.28Å; Y674-Y676 PolarHBondContact O-N 3.08Å; Y676-L681 HydrophobicContact CD1-CB 4.28Å; Y676-R682 WeakPolarHBondContact O-CA 3.17Å; Y676-R682 VanDerWaalsContact O-CB 3.25Å; Y676-R682 WeakPolarHBondContact O-CB 3.2Å; Y676-R682 PolarHBondContact O-N 2.92Å; Y676-F685 HydrophobicContact CD1-CB 4.06Å; Y676-F685 HydrophobicContact CD1-CD1 4.45Å; Y676-F685 AromaticContact CD1-CD2 3.8Å; Y676-F685 HydrophobicContact CD1-CD2 3.8Å; Y676-F685 HydrophobicContact CD1-CE2 4.32Å; Y676-F685 AromaticContact CD1-CG 3.86Å; Y676-F685 HydrophobicContact CD1-CG 3.86Å; Y676-F685 HydrophobicContact CE1-CD1 4.07Å; Y676-F685 AromaticContact CE1-CD2 3.88Å; Y676-F685 HydrophobicContact CE1-CD2 3.88Å; Y676-F685 HydrophobicContact CE1-CE1 4.16Å; Y676-F685 AromaticContact CE1-CE2 4Å; Y676-F685 HydrophobicContact CE1-CE2 4Å; Y676-F685 AromaticContact CE1-CG 3.9Å; Y676-F685 HydrophobicContact CE1-CG 3.9Å; Y676-F685 HydrophobicContact CE1-CZ 4.1Å
677	E	68.9	Low	71.3	Confident	91 Å²	91	73.4 Å²	73.4	43%	0.425	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-82.4	-17.7	177.7	-69.9	179	-173.6	0	0	113.7	Y674 L675 R682	Y674-E677 WeakPolarHBondContact O-CB 3.33Å; Y674-E677 PolarHBondContact O-N 3.1Å; L675-E677 VanDerWaalsContact C-N 3.3Å; E677-R682 PolarHBondContact O-NH2 2.89Å
678	T	70.3	Confident	70.1	Confident	7 Å²	7	76.8 Å²	76.8	4%	0.043	40%	0.404	C	S	.	.	S	Bend	trans	-60.7	141.6	169.8	28	0	0	0	0	110.2	W431 V680 L681 R682 D723	W431-T678 HydrophobicContact CG-CG2 4.33Å; T678-V680 PolarHBondContact O-N 2.85Å; T678-V680 VanDerWaalsContact O-N 3.13Å; T678-L681 PolarHBondContact O-N 3.13Å; T678-L681 WeakPolarHBondContact OG1-CD1 3.32Å; T678-R682 WeakPolarHBondContact O-CB 3.47Å; T678-R682 PolarHBondContact O-N 2.91Å; T678-D723 WeakPolarHBondContact CB-O 3.3Å; T678-D723 PolarHBondContact OG1-O 3.38Å; T678-D723 VanDerWaalsContact OG1-O 3.12Å
679	T	67.3	Low	69.5	Low	70 Å²	70	77.4 Å²	77.4	43%	0.429	40%	0.397	S	S	.	.	H	α-helix	trans	-51.9	-40.1	-179.1	53.4	0	0	0	0	112.4	N683	T679-N683 VanDerWaalsContact O-CB 3.28Å; T679-N683 WeakPolarHBondContact O-CB 3.49Å; T679-N683 PolarHBondContact O-N 3.21Å; T679-N683 PolarHBondContact O-ND2 3.49Å; T679-N683 VanDerWaalsContact O-ND2 3.16Å
680	V	69.1	Low	68.9	Low	35 Å²	35	81.8 Å²	81.8	21%	0.212	41%	0.414	C	S	.	.	H	α-helix	trans	-71.7	-48.6	-179.4	-179.9	0	0	0	0	112.3	T678 R684 D723 V724	T678-V680 PolarHBondContact O-N 2.85Å; T678-V680 VanDerWaalsContact O-N 3.13Å; V680-R684 WeakPolarHBondContact O-CB 3.4Å; V680-R684 VanDerWaalsContact O-CG 3.24Å; V680-R684 WeakPolarHBondContact O-CG 2.97Å; V680-R684 PolarHBondContact O-N 3.4Å; V680-D723 HydrophobicContact CB-CB 3.97Å; V680-D723 HydrophobicContact CG2-CB 3.58Å; V680-V724 HydrophobicContact CG1-CG2 3.96Å
681	L	70.6	Confident	68.8	Low	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-68.3	-42	179.3	-68.6	178.3	0	0	0	110.7	L663 L675 Y676 T678 N683 R684 F685	L663-L681 HydrophobicContact CD2-CD1 4.45Å; L675-L681 WeakPolarHBondContact O-CD1 3.32Å; Y676-L681 HydrophobicContact CD1-CB 4.28Å; T678-L681 PolarHBondContact O-N 3.13Å; T678-L681 WeakPolarHBondContact OG1-CD1 3.32Å; L681-N683 PolarHBondContact O-N 3.36Å; L681-R684 PolarHBondContact O-N 3.24Å; L681-F685 HydrophobicContact CB-CD2 4.4Å; L681-F685 HydrophobicContact CD2-CD2 4.09Å; L681-F685 HydrophobicContact CD2-CE2 3.71Å; L681-F685 VanDerWaalsContact O-CB 3.3Å; L681-F685 WeakPolarHBondContact O-CB 3.41Å; L681-F685 WeakPolarHBondContact O-CD2 3.09Å; L681-F685 PolarHBondContact O-N 3Å
682	R	68.1	Low	68.8	Low	113 Å²	113	71.9 Å²	71.9	43%	0.426	37%	0.37	S	S	.	.	H	α-helix	trans	-51.9	-61	172.5	-166.8	178.8	-66.1	165	-2.6	109.8	Y676 E677 T678 R684 F685 T686	Y676-R682 WeakPolarHBondContact O-CA 3.17Å; Y676-R682 VanDerWaalsContact O-CB 3.25Å; Y676-R682 WeakPolarHBondContact O-CB 3.2Å; Y676-R682 PolarHBondContact O-N 2.92Å; E677-R682 PolarHBondContact O-NH2 2.89Å; T678-R682 WeakPolarHBondContact O-CB 3.47Å; T678-R682 PolarHBondContact O-N 2.91Å; R682-R684 VanDerWaalsContact C-N 3.3Å; R682-R684 PolarHBondContact O-N 2.85Å; R682-F685 PolarHBondContact O-N 2.69Å; R682-T686 HydrophobicContact CG-CG2 3.86Å; R682-T686 VanDerWaalsContact O-CB 3.25Å; R682-T686 WeakPolarHBondContact O-CB 3.48Å; R682-T686 WeakPolarHBondContact O-CG2 3Å; R682-T686 PolarHBondContact O-N 3.24Å; R682-T686 PolarHBondContact O-OG1 3.23Å
683	N	67.2	Low	69	Low	111 Å²	111	71.4 Å²	71.4	59%	0.594	37%	0.371	S	S	*	.	H	α-helix	trans	-60.7	-36.1	-175.2	-70.3	-16.5	0	0	0	113.8	T679 L681 T686 S687	T679-N683 VanDerWaalsContact O-CB 3.28Å; T679-N683 WeakPolarHBondContact O-CB 3.49Å; T679-N683 PolarHBondContact O-N 3.21Å; T679-N683 PolarHBondContact O-ND2 3.49Å; T679-N683 VanDerWaalsContact O-ND2 3.16Å; L681-N683 PolarHBondContact O-N 3.36Å; N683-T686 PolarHBondContact O-OG1 2.87Å; N683-S687 PolarHBondContact O-OG 3.04Å
684	R	66.9	Low	69.5	Low	74 Å²	74	71.4 Å²	71.4	28%	0.279	37%	0.365	S	S	.	.	H	α-helix	trans	-75.1	-37.8	-178.6	-74.3	177.8	-175.4	-167.5	0.9	113.2	V680 L681 R682 S687	V680-R684 WeakPolarHBondContact O-CB 3.4Å; V680-R684 VanDerWaalsContact O-CG 3.24Å; V680-R684 WeakPolarHBondContact O-CG 2.97Å; V680-R684 PolarHBondContact O-N 3.4Å; L681-R684 PolarHBondContact O-N 3.24Å; R682-R684 VanDerWaalsContact C-N 3.3Å; R682-R684 PolarHBondContact O-N 2.85Å; R684-S687 PolarHBondContact O-OG 3.21Å
685	F	70.5	Confident	70	Confident	9 Å²	9	70 Å²	70	4%	0.039	37%	0.365	C	S	.	.	H	α-helix	trans	-94.2	-17.8	-176.1	-76.6	-86	0	0	0	112.7	F667 Y676 L681 R682 V691 L696	F667-F685 HydrophobicContact CB-CD1 4.01Å; F667-F685 HydrophobicContact CB-CE1 3.96Å; F667-F685 AromaticContact CD1-CD1 3.93Å; F667-F685 HydrophobicContact CD1-CD1 3.93Å; F667-F685 HydrophobicContact CD1-CE1 4.46Å; F667-F685 HydrophobicContact CD2-CB 3.81Å; F667-F685 AromaticContact CD2-CD1 3.39Å; F667-F685 HydrophobicContact CD2-CD1 3.39Å; F667-F685 HydrophobicContact CD2-CE1 4.18Å; F667-F685 AromaticContact CD2-CG 3.88Å; F667-F685 HydrophobicContact CD2-CG 3.88Å; F667-F685 HydrophobicContact CE1-CD1 4.26Å; F667-F685 HydrophobicContact CE2-CB 3.47Å; F667-F685 VanDerWaalsContact CE2-CB 3.47Å; F667-F685 AromaticContact CE2-CD1 3.83Å; F667-F685 HydrophobicContact CE2-CD1 3.83Å; F667-F685 HydrophobicContact CE2-CG 4.06Å; F667-F685 AromaticContact CG-CD1 3.47Å; F667-F685 HydrophobicContact CG-CD1 3.47Å; F667-F685 VanDerWaalsContact CG-CD1 3.47Å; F667-F685 AromaticContact CG-CE1 3.93Å; F667-F685 HydrophobicContact CG-CE1 3.93Å; F667-F685 HydrophobicContact CG-CG 4.4Å; F667-F685 HydrophobicContact CZ-CB 4.01Å; F667-F685 HydrophobicContact CZ-CD1 4.22Å; F667-F685 WeakPolarHBondContact CZ-O 3.42Å; Y676-F685 HydrophobicContact CD1-CB 4.06Å; Y676-F685 HydrophobicContact CD1-CD1 4.45Å; Y676-F685 AromaticContact CD1-CD2 3.8Å; Y676-F685 HydrophobicContact CD1-CD2 3.8Å; Y676-F685 HydrophobicContact CD1-CE2 4.32Å; Y676-F685 AromaticContact CD1-CG 3.86Å; Y676-F685 HydrophobicContact CD1-CG 3.86Å; Y676-F685 HydrophobicContact CE1-CD1 4.07Å; Y676-F685 AromaticContact CE1-CD2 3.88Å; Y676-F685 HydrophobicContact CE1-CD2 3.88Å; Y676-F685 HydrophobicContact CE1-CE1 4.16Å; Y676-F685 AromaticContact CE1-CE2 4Å; Y676-F685 HydrophobicContact CE1-CE2 4Å; Y676-F685 AromaticContact CE1-CG 3.9Å; Y676-F685 HydrophobicContact CE1-CG 3.9Å; Y676-F685 HydrophobicContact CE1-CZ 4.1Å; L681-F685 HydrophobicContact CB-CD2 4.4Å; L681-F685 HydrophobicContact CD2-CD2 4.09Å; L681-F685 HydrophobicContact CD2-CE2 3.71Å; L681-F685 VanDerWaalsContact O-CB 3.3Å; L681-F685 WeakPolarHBondContact O-CB 3.41Å; L681-F685 WeakPolarHBondContact O-CD2 3.09Å; L681-F685 PolarHBondContact O-N 3Å; R682-F685 PolarHBondContact O-N 2.69Å; F685-V691 HydrophobicContact CD1-CB 4.32Å; F685-V691 HydrophobicContact CD1-CG2 3.98Å; F685-V691 HydrophobicContact CE1-CB 3.86Å; F685-V691 HydrophobicContact CE1-CG1 4.34Å; F685-V691 HydrophobicContact CE1-CG2 4.01Å; F685-V691 HydrophobicContact CG-CG2 4.4Å; F685-V691 HydrophobicContact CZ-CB 4.19Å; F685-V691 HydrophobicContact CZ-CG1 4.16Å; F685-V691 HydrophobicContact CZ-CG2 4.43Å; F685-L696 HydrophobicContact CE2-CD1 4.22Å; F685-L696 HydrophobicContact CZ-CD1 3.87Å
686	T	62.4	Low	70.6	Confident	93 Å²	93	69.3 Å²	69.3	57%	0.571	36%	0.361	S	S	*	.	H	α-helix	trans	-78.1	-25.5	171.2	56.6	0	0	0	0	113.2	R682 N683 N688	R682-T686 HydrophobicContact CG-CG2 3.86Å; R682-T686 VanDerWaalsContact O-CB 3.25Å; R682-T686 WeakPolarHBondContact O-CB 3.48Å; R682-T686 WeakPolarHBondContact O-CG2 3Å; R682-T686 PolarHBondContact O-N 3.24Å; R682-T686 PolarHBondContact O-OG1 3.23Å; N683-T686 PolarHBondContact O-OG1 2.87Å; T686-N688 PolarHBondContact O-N 3.13Å
687	S	59.5	Low	71.4	Confident	65 Å²	65	68.4 Å²	68.4	46%	0.455	36%	0.358	S	S	.	.	S	Bend	trans	-70.6	114.2	165	57.3	0	0	0	0	107.1	N683 R684 S689	N683-S687 PolarHBondContact O-OG 3.04Å; R684-S687 PolarHBondContact O-OG 3.21Å; S687-S689 PolarHBondContact O-N 3.31Å
688	N	52.4	Low	72.4	Confident	173 Å²	173	67.3 Å²	67.3	93%	0.925	36%	0.355	S	S	*	.	S	Bend	trans	-54.3	27.2	-175.8	-80.1	-20.1	0	0	0	117.3	T686	T686-N688 PolarHBondContact O-N 3.13Å
689	S	60.5	Low	73.3	Confident	85 Å²	85	70.7 Å²	70.7	59%	0.594	37%	0.37	S	S	*	.	S	Bend	trans	-90.6	130.6	173.2	-169.6	0	0	0	0	109.9	S687 V691	S687-S689 PolarHBondContact O-N 3.31Å; S689-V691 PolarHBondContact O-N 2.8Å
690	K	67.9	Low	74.5	Confident	188 Å²	188	67.7 Å²	67.7	82%	0.817	35%	0.351	S	S	*	.			trans	-60.8	99.9	170.3	-68.4	179.3	179.6	178.7	0	108.8	Q692	K690-Q692 PolarHBondContact O-N 3.12Å
691	V	71.7	Confident	75.6	Confident	32 Å²	32	66.2 Å²	66.2	19%	0.194	34%	0.342	C	S	.	.			trans	-69	118.2	178.4	-178.5	0	0	0	0	108.8	F685 S689 L696	F685-V691 HydrophobicContact CD1-CB 4.32Å; F685-V691 HydrophobicContact CD1-CG2 3.98Å; F685-V691 HydrophobicContact CE1-CB 3.86Å; F685-V691 HydrophobicContact CE1-CG1 4.34Å; F685-V691 HydrophobicContact CE1-CG2 4.01Å; F685-V691 HydrophobicContact CG-CG2 4.4Å; F685-V691 HydrophobicContact CZ-CB 4.19Å; F685-V691 HydrophobicContact CZ-CG1 4.16Å; F685-V691 HydrophobicContact CZ-CG2 4.43Å; S689-V691 PolarHBondContact O-N 2.8Å; V691-L696 HydrophobicContact CG1-CD1 4.03Å; V691-L696 HydrophobicContact CG1-CD2 4.09Å; V691-L696 HydrophobicContact CG1-CG 3.8Å
692	Q	78.4	Confident	76.6	Confident	105 Å²	105	70.7 Å²	70.7	49%	0.491	37%	0.366	S	S	.	.			trans	-76.3	142.1	174.4	-64.3	-64.4	-24.7	0	0	109.9	K690 D694 D695	K690-Q692 PolarHBondContact O-N 3.12Å; Q692-D694 PolarHBondContact O-N 3.26Å; Q692-D695 PolarHBondContact O-N 2.94Å; Q692-D695 VanDerWaalsContact O-N 3.1Å
693	P	81.3	Confident	77.8	Confident	30 Å²	30	67.4 Å²	67.4	20%	0.195	36%	0.357	C	S	.	.	H	α-helix	trans	-61	-31.8	179.3	25.7	-34.2	0	0	0	112	S660 R661 A664 D695 L696 Y697	S660-P693 WeakPolarHBondContact CB-O 3.45Å; R661-P693 HydrophobicContact CB-CB 4.38Å; A664-P693 HydrophobicContact CB-CB 4.13Å; P693-D695 VanDerWaalsContact C-N 3.3Å; P693-D695 PolarHBondContact O-N 3.27Å; P693-L696 PolarHBondContact O-N 3.32Å; P693-Y697 PolarHBondContact O-N 3.37Å
694	D	84.7	Confident	79.1	Confident	72 Å²	72	62.1 Å²	62.1	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-33.8	178.1	-64.2	-20.7	0	0	0	111.8	Y657 Q692 Y697 N698	Y657-D694 WeakPolarHBondContact CE2-OD1 3.37Å; Y657-D694 PolarHBondContact OH-OD1 3.32Å; Q692-D694 PolarHBondContact O-N 3.26Å; D694-Y697 PolarHBondContact O-N 2.83Å; D694-N698 VanDerWaalsContact O-CB 3.23Å; D694-N698 WeakPolarHBondContact O-CB 3.22Å; D694-N698 PolarHBondContact O-N 3.37Å; D694-N698 PolarHBondContact O-ND2 2.96Å
695	D	85	Confident	80.3	Confident	80 Å²	80	60.5 Å²	60.5	43%	0.428	32%	0.324	S	S	.	.	H	α-helix	trans	-67.8	-39.5	179.7	-66.4	-29.3	0	0	0	111.5	Q692 P693 Q699	Q692-D695 PolarHBondContact O-N 2.94Å; Q692-D695 VanDerWaalsContact O-N 3.1Å; P693-D695 VanDerWaalsContact C-N 3.3Å; P693-D695 PolarHBondContact O-N 3.27Å; D695-Q699 WeakPolarHBondContact O-CB 3.5Å; D695-Q699 WeakPolarHBondContact O-CG 3.33Å; D695-Q699 PolarHBondContact O-N 2.97Å; D695-Q699 PolarHBondContact O-NE2 3.11Å; D695-Q699 VanDerWaalsContact O-NE2 3.12Å
696	L	85.1	Confident	81.3	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-66	-45.1	176.6	-68.3	174.3	0	0	0	111.2	F685 V691 P693 Q699 F700	F685-L696 HydrophobicContact CE2-CD1 4.22Å; F685-L696 HydrophobicContact CZ-CD1 3.87Å; V691-L696 HydrophobicContact CG1-CD1 4.03Å; V691-L696 HydrophobicContact CG1-CD2 4.09Å; V691-L696 HydrophobicContact CG1-CG 3.8Å; P693-L696 PolarHBondContact O-N 3.32Å; L696-Q699 PolarHBondContact O-N 3.1Å; L696-F700 PolarHBondContact O-N 3.43Å
697	Y	91.6	Very high	82.7	Confident	2 Å²	2	61 Å²	61	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-43.3	178.6	177	-101.7	0	0	0	112.2	D495 L653 F656 Y657 P693 D694 Q699 F700 L701	D495-Y697 WeakPolarHBondContact OD2-CE1 3.27Å; D495-Y697 VanDerWaalsContact OD2-CZ 3.28Å; D495-Y697 PolarHBondContact OD2-OH 3.4Å; L653-Y697 WeakPolarHBondContact O-CE2 3.2Å; F656-Y697 HydrophobicContact CB-CD2 4.41Å; F656-Y697 HydrophobicContact CB-CE2 4.44Å; Y657-Y697 AromaticContact CD2-CD1 3.85Å; Y657-Y697 HydrophobicContact CD2-CD1 3.85Å; Y657-Y697 HydrophobicContact CD2-CD2 4.11Å; Y657-Y697 HydrophobicContact CD2-CE1 4.21Å; Y657-Y697 HydrophobicContact CD2-CE2 4.45Å; Y657-Y697 AromaticContact CD2-CG 3.78Å; Y657-Y697 HydrophobicContact CD2-CG 3.78Å; P693-Y697 PolarHBondContact O-N 3.37Å; D694-Y697 PolarHBondContact O-N 2.83Å; Y697-Q699 VanDerWaalsContact C-N 3.32Å; Y697-Q699 PolarHBondContact O-N 3.15Å; Y697-F700 HydrophobicContact CD2-CD1 4.39Å; Y697-F700 HydrophobicContact CE2-CD1 4.43Å; Y697-F700 WeakPolarHBondContact O-CB 3.31Å; Y697-F700 PolarHBondContact O-N 3Å; Y697-L701 PolarHBondContact O-N 3.18Å
698	N	90.2	Very high	84.2	Confident	68 Å²	68	58.6 Å²	58.6	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-36.4	176.7	-75.6	-41.2	0	0	0	112.1	D694 L701 N702	D694-N698 VanDerWaalsContact O-CB 3.23Å; D694-N698 WeakPolarHBondContact O-CB 3.22Å; D694-N698 PolarHBondContact O-N 3.37Å; D694-N698 PolarHBondContact O-ND2 2.96Å; N698-L701 PolarHBondContact O-N 2.96Å; N698-N702 WeakPolarHBondContact O-CB 3.28Å; N698-N702 VanDerWaalsContact O-CG 3.25Å; N698-N702 PolarHBondContact O-N 2.99Å; N698-N702 PolarHBondContact O-ND2 2.68Å
699	Q	88.6	Confident	86	Confident	78 Å²	78	52.7 Å²	52.7	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-42.4	173.6	-75.4	173.6	60.3	0	0	112	D695 L696 Y697 N702 L703	D695-Q699 WeakPolarHBondContact O-CB 3.5Å; D695-Q699 WeakPolarHBondContact O-CG 3.33Å; D695-Q699 PolarHBondContact O-N 2.97Å; D695-Q699 PolarHBondContact O-NE2 3.11Å; D695-Q699 VanDerWaalsContact O-NE2 3.12Å; L696-Q699 PolarHBondContact O-N 3.1Å; Y697-Q699 VanDerWaalsContact C-N 3.32Å; Y697-Q699 PolarHBondContact O-N 3.15Å; Q699-N702 PolarHBondContact O-N 3.25Å; Q699-L703 WeakPolarHBondContact O-CB 3.37Å; Q699-L703 PolarHBondContact O-N 3.16Å
700	F	93	Very high	87.2	Confident	7 Å²	7	51.8 Å²	51.8	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-45	171.5	165.1	-106.5	0	0	0	112.1	L653 F656 L696 Y697 N702 L703 T704 V721 F725 A732 I735	L653-F700 HydrophobicContact CD2-CE1 3.9Å; F656-F700 HydrophobicContact CB-CD1 4.1Å; F656-F700 HydrophobicContact CB-CE1 3.88Å; F656-F700 HydrophobicContact CB-CZ 4.45Å; F656-F700 HydrophobicContact CD1-CE1 4.48Å; F656-F700 HydrophobicContact CD1-CE2 4.43Å; F656-F700 HydrophobicContact CD1-CZ 4.29Å; F656-F700 AromaticContact CD2-CE1 3.76Å; F656-F700 HydrophobicContact CD2-CE1 3.76Å; F656-F700 HydrophobicContact CD2-CE2 4.41Å; F656-F700 AromaticContact CD2-CZ 3.59Å; F656-F700 HydrophobicContact CD2-CZ 3.59Å; F656-F700 HydrophobicContact CE1-CE2 4.46Å; F656-F700 HydrophobicContact CE2-CE1 4.48Å; F656-F700 HydrophobicContact CE2-CE2 4.46Å; F656-F700 AromaticContact CE2-CZ 3.86Å; F656-F700 HydrophobicContact CE2-CZ 3.86Å; F656-F700 HydrophobicContact CG-CD1 4.3Å; F656-F700 AromaticContact CG-CE1 3.78Å; F656-F700 HydrophobicContact CG-CE1 3.78Å; F656-F700 HydrophobicContact CG-CE2 4.42Å; F656-F700 AromaticContact CG-CZ 3.85Å; F656-F700 HydrophobicContact CG-CZ 3.85Å; F656-F700 HydrophobicContact CZ-CZ 4.34Å; L696-F700 PolarHBondContact O-N 3.43Å; Y697-F700 HydrophobicContact CD2-CD1 4.39Å; Y697-F700 HydrophobicContact CE2-CD1 4.43Å; Y697-F700 WeakPolarHBondContact O-CB 3.31Å; Y697-F700 PolarHBondContact O-N 3Å; F700-N702 PolarHBondContact O-N 3.04Å; F700-L703 PolarHBondContact O-N 3.35Å; F700-T704 WeakPolarHBondContact O-CB 3.39Å; F700-T704 PolarHBondContact O-N 3.34Å; F700-T704 PolarHBondContact O-OG1 3.42Å; F700-V721 HydrophobicContact CD2-CG1 4.2Å; F700-V721 HydrophobicContact CD2-CG2 4.12Å; F700-V721 HydrophobicContact CE2-CG1 4.04Å; F700-V721 HydrophobicContact CE2-CG2 4.11Å; F700-F725 HydrophobicContact CB-CE2 3.74Å; F700-F725 HydrophobicContact CB-CZ 4.04Å; F700-F725 HydrophobicContact CD2-CD2 4.42Å; F700-F725 AromaticContact CD2-CE2 3.71Å; F700-F725 HydrophobicContact CD2-CE2 3.71Å; F700-F725 AromaticContact CG-CE2 3.74Å; F700-F725 HydrophobicContact CG-CE2 3.74Å; F700-F725 HydrophobicContact CG-CZ 4.23Å; F700-A732 HydrophobicContact CE2-CB 3.87Å; F700-A732 HydrophobicContact CZ-CB 4.18Å; F700-I735 HydrophobicContact CZ-CD1 3.92Å
701	L	92.8	Very high	88.1	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-41.1	179	-169.1	69.2	0	0	0	111.5	D495 L499 Y697 N698 T704 K705	D495-L701 HydrophobicContact CB-CD1 4.24Å; D495-L701 HydrophobicContact CB-CD2 4.27Å; L499-L701 HydrophobicContact CD1-CD1 3.93Å; L499-L701 HydrophobicContact CD2-CD1 3.82Å; L499-L701 HydrophobicContact CG-CD1 3.93Å; Y697-L701 PolarHBondContact O-N 3.18Å; N698-L701 PolarHBondContact O-N 2.96Å; L701-T704 PolarHBondContact O-N 3.07Å; L701-K705 WeakPolarHBondContact O-CB 3.3Å; L701-K705 VanDerWaalsContact O-CG 3.3Å; L701-K705 WeakPolarHBondContact O-CG 3.39Å; L701-K705 PolarHBondContact O-N 3.49Å
702	N	91.9	Very high	88.9	Confident	95 Å²	95	45.1 Å²	45.1	51%	0.508	26%	0.257	S	S	.	.	H	α-helix	trans	-67.4	-39.6	175.9	-73.1	-27.9	0	0	0	112.5	N698 Q699 F700 T704 K705 H706	N698-N702 WeakPolarHBondContact O-CB 3.28Å; N698-N702 VanDerWaalsContact O-CG 3.25Å; N698-N702 PolarHBondContact O-N 2.99Å; N698-N702 PolarHBondContact O-ND2 2.68Å; Q699-N702 PolarHBondContact O-N 3.25Å; F700-N702 PolarHBondContact O-N 3.04Å; N702-T704 VanDerWaalsContact C-N 3.34Å; N702-K705 PolarHBondContact O-N 3.08Å; N702-H706 PolarHBondContact O-N 2.74Å
703	L	92.1	Very high	89.5	Confident	44 Å²	44	47 Å²	47	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-43.4	173.4	-176.7	69.8	0	0	0	110.9	Q699 F700 H706 W707 I712 Y717 A720 V721	Q699-L703 WeakPolarHBondContact O-CB 3.37Å; Q699-L703 PolarHBondContact O-N 3.16Å; F700-L703 PolarHBondContact O-N 3.35Å; L703-H706 PolarHBondContact O-N 2.87Å; L703-W707 PolarHBondContact O-N 2.66Å; L703-I712 HydrophobicContact CD1-CD1 3.59Å; L703-Y717 HydrophobicContact CD2-CD2 4.15Å; L703-Y717 HydrophobicContact CD2-CE2 4.24Å; L703-Y717 HydrophobicContact CG-CD2 3.81Å; L703-Y717 HydrophobicContact CG-CE2 3.99Å; L703-A720 HydrophobicContact CD1-CB 4.24Å; L703-A720 HydrophobicContact CD2-CB 3.67Å; L703-V721 HydrophobicContact CD2-CG2 3.68Å
704	T	93.8	Very high	90	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-43.6	174.7	-52.2	0	0	0	0	111.2	L499 F700 L701 N702 H706 W707 L708 Y717 I735	L499-T704 HydrophobicContact CD1-CG2 4.44Å; L499-T704 HydrophobicContact CD2-CG2 4.27Å; F700-T704 WeakPolarHBondContact O-CB 3.39Å; F700-T704 PolarHBondContact O-N 3.34Å; F700-T704 PolarHBondContact O-OG1 3.42Å; L701-T704 PolarHBondContact O-N 3.07Å; N702-T704 VanDerWaalsContact C-N 3.34Å; T704-H706 PolarHBondContact O-N 2.87Å; T704-W707 PolarHBondContact O-N 3.27Å; T704-L708 HydrophobicContact CG2-CD1 4.35Å; T704-L708 WeakPolarHBondContact O-CB 3.26Å; T704-L708 VanDerWaalsContact O-CG 3.28Å; T704-L708 WeakPolarHBondContact O-CG 3.38Å; T704-L708 PolarHBondContact O-N 3.33Å; T704-Y717 PolarHBondContact OG1-OH 3.28Å; T704-Y717 VanDerWaalsContact OG1-OH 3.12Å; T704-I735 HydrophobicContact CG2-CG2 3.89Å
705	K	93.1	Very high	90.2	Very high	39 Å²	39	48.4 Å²	48.4	17%	0.17	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-46.2	173.6	-75.8	171.7	178.4	177.3	0	110.6	E498 L499 H502 L701 N702 W707 L708 D709	E498-K705 IonicContact OE2-NZ 2.83Å; E498-K705 PolarHBondContact OE2-NZ 3.25Å; L499-K705 HydrophobicContact CD2-CG 3.73Å; H502-K705 PolarHBondContact CE1-O 3.48Å; L701-K705 WeakPolarHBondContact O-CB 3.3Å; L701-K705 VanDerWaalsContact O-CG 3.3Å; L701-K705 WeakPolarHBondContact O-CG 3.39Å; L701-K705 PolarHBondContact O-N 3.49Å; N702-K705 PolarHBondContact O-N 3.08Å; K705-W707 PolarHBondContact O-N 3.31Å; K705-L708 PolarHBondContact O-N 2.83Å; K705-D709 PolarHBondContact O-N 3.31Å; K705-D709 VanDerWaalsContact O-N 3.14Å
706	H	91.2	Very high	90.4	Very high	93 Å²	93	48.4 Å²	48.4	43%	0.431	28%	0.281	S	S	.	.	H	α-helix	trans	-67.9	-32	179.7	-165.7	40.2	0	0	0	113.6	N702 L703 T704 D709 G711 I712	N702-H706 PolarHBondContact O-N 2.74Å; L703-H706 PolarHBondContact O-N 2.87Å; T704-H706 PolarHBondContact O-N 2.87Å; H706-D709 WeakPolarHBondContact O-CB 3.39Å; H706-D709 PolarHBondContact O-N 2.86Å; H706-G711 PolarHBondContact O-N 3.44Å; H706-I712 HydrophobicContact CB-CD1 3.84Å; H706-I712 HydrophobicContact CB-CG1 4.47Å; H706-I712 WeakPolarHBondContact CD2-CD1 3.34Å; H706-I712 WeakPolarHBondContact CD2-CG1 3.47Å
707	W	92.6	Very high	90.8	Very high	21 Å²	21	48.3 Å²	48.3	8%	0.08	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-44.8	171.3	175.8	49.8	0	0	0	112.2	L703 T704 K705 D709 G710 Y717 I735 D736	L703-W707 PolarHBondContact O-N 2.66Å; T704-W707 PolarHBondContact O-N 3.27Å; K705-W707 PolarHBondContact O-N 3.31Å; W707-D709 PolarHBondContact O-N 2.87Å; W707-D709 VanDerWaalsContact O-N 3.12Å; W707-G710 PolarHBondContact O-N 2.85Å; W707-Y717 HydrophobicContact CB-CD2 3.56Å; W707-Y717 HydrophobicContact CB-CE2 4.05Å; W707-Y717 HydrophobicContact CB-CG 3.89Å; W707-Y717 AromaticContact CD2-CD1 3.63Å; W707-Y717 HydrophobicContact CD2-CD1 3.63Å; W707-Y717 HydrophobicContact CD2-CD2 4.11Å; W707-Y717 AromaticContact CD2-CE1 3.85Å; W707-Y717 HydrophobicContact CD2-CE1 3.85Å; W707-Y717 HydrophobicContact CD2-CE2 4.34Å; W707-Y717 AromaticContact CD2-CG 3.76Å; W707-Y717 HydrophobicContact CD2-CG 3.76Å; W707-Y717 AromaticContact CE2-CD1 3.91Å; W707-Y717 AromaticContact CE3-CD1 3.68Å; W707-Y717 HydrophobicContact CE3-CD1 3.68Å; W707-Y717 HydrophobicContact CE3-CD2 4.22Å; W707-Y717 AromaticContact CE3-CE1 3.36Å; W707-Y717 HydrophobicContact CE3-CE1 3.36Å; W707-Y717 AromaticContact CE3-CE2 3.97Å; W707-Y717 HydrophobicContact CE3-CE2 3.97Å; W707-Y717 HydrophobicContact CE3-CG 4.09Å; W707-Y717 AromaticContact CE3-CZ 3.51Å; W707-Y717 HydrophobicContact CG-CD1 4.07Å; W707-Y717 AromaticContact CG-CD2 3.87Å; W707-Y717 HydrophobicContact CG-CD2 3.87Å; W707-Y717 HydrophobicContact CG-CE2 4.41Å; W707-Y717 AromaticContact CG-CG 3.68Å; W707-Y717 HydrophobicContact CG-CG 3.68Å; W707-Y717 HydrophobicContact CH2-CD1 4.16Å; W707-Y717 AromaticContact CH2-CE1 3.93Å; W707-Y717 HydrophobicContact CH2-CE1 3.93Å; W707-Y717 HydrophobicContact CZ2-CD1 4.19Å; W707-Y717 HydrophobicContact CZ2-CE1 4.42Å; W707-Y717 AromaticContact CZ3-CD1 3.94Å; W707-Y717 HydrophobicContact CZ3-CD1 3.94Å; W707-Y717 AromaticContact CZ3-CE1 3.4Å; W707-Y717 HydrophobicContact CZ3-CE1 3.4Å; W707-Y717 VanDerWaalsContact CZ3-CE1 3.4Å; W707-Y717 AromaticContact CZ3-CZ 3.85Å; W707-I735 HydrophobicContact CZ3-CB 4.21Å; W707-D736 HydrophobicContact CD2-CB 4.41Å; W707-D736 HydrophobicContact CE3-CB 4.13Å; W707-D736 HydrophobicContact CH2-CB 3.31Å; W707-D736 WeakPolarHBondContact CH2-OD1 3.37Å; W707-D736 HydrophobicContact CZ2-CB 3.56Å; W707-D736 WeakPolarHBondContact CZ2-OD1 3.45Å; W707-D736 HydrophobicContact CZ3-CB 3.59Å
708	L	91.3	Very high	90.7	Very high	14 Å²	14	49 Å²	49	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-21.7	174.6	-71	174.9	0	0	0	113.1	L499 Y503 T704 K705 G710 D736 V739	L499-L708 HydrophobicContact CB-CD1 4.4Å; L499-L708 HydrophobicContact CD2-CD1 3.93Å; Y503-L708 HydrophobicContact CD2-CB 4.28Å; Y503-L708 HydrophobicContact CD2-CD2 4.07Å; T704-L708 HydrophobicContact CG2-CD1 4.35Å; T704-L708 WeakPolarHBondContact O-CB 3.26Å; T704-L708 VanDerWaalsContact O-CG 3.28Å; T704-L708 WeakPolarHBondContact O-CG 3.38Å; T704-L708 PolarHBondContact O-N 3.33Å; K705-L708 PolarHBondContact O-N 2.83Å; L708-G710 VanDerWaalsContact C-N 3.27Å; L708-D736 HydrophobicContact CD2-CB 4.1Å; L708-V739 HydrophobicContact CD1-CG1 4.35Å; L708-V739 HydrophobicContact CD1-CG2 4.5Å; L708-V739 HydrophobicContact CD2-CB 4.24Å; L708-V739 HydrophobicContact CD2-CG1 4.22Å
709	D	88.7	Confident	90.6	Very high	48 Å²	48	48.1 Å²	48.1	26%	0.257	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-12	176.4	-60.8	-16.1	0	0	0	113.7	H502 R506 K705 H706 W707 G711	H502-D709 IonicContact CE1-OD1 3.49Å; H502-D709 PolarHBondContact CE1-OD1 2.92Å; H502-D709 IonicContact CE1-OD2 3.79Å; H502-D709 IonicContact ND1-OD1 3.93Å; H502-D709 IonicContact NE2-OD1 3.2Å; R506-D709 VanDerWaalsContact CD-OD1 3.27Å; R506-D709 WeakPolarHBondContact CD-OD1 3.44Å; R506-D709 IonicContact CZ-OD1 3.5Å; R506-D709 IonicContact CZ-OD2 3.46Å; R506-D709 IonicContact NE-OD1 2.91Å; R506-D709 PolarHBondContact NE-OD1 3.1Å; R506-D709 IonicContact NE-OD2 2.83Å; R506-D709 IonicContact NH1-OD1 2.73Å; R506-D709 PolarHBondContact NH1-OD1 2.9Å; R506-D709 IonicContact NH1-OD2 2.74Å; R506-D709 PolarHBondContact NH1-OD2 3.05Å; R506-D709 IonicContact NH2-OD1 3.44Å; R506-D709 PolarHBondContact NH2-OD1 3.08Å; R506-D709 IonicContact NH2-OD2 3.85Å; R506-D709 PolarHBondContact NH2-OD2 2.9Å; K705-D709 PolarHBondContact O-N 3.31Å; K705-D709 VanDerWaalsContact O-N 3.14Å; H706-D709 WeakPolarHBondContact O-CB 3.39Å; H706-D709 PolarHBondContact O-N 2.86Å; W707-D709 PolarHBondContact O-N 2.87Å; W707-D709 VanDerWaalsContact O-N 3.12Å; D709-G711 VanDerWaalsContact C-N 3.29Å
710	G	86.5	Confident	90.6	Very high	67 Å²	67	45.9 Å²	45.9	69%	0.691	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	17.5	-168.7	0	0	0	0	0	113.5	W707 L708	W707-G710 PolarHBondContact O-N 2.85Å; L708-G710 VanDerWaalsContact C-N 3.27Å
711	G	86.1	Confident	90.4	Very high	49 Å²	49	45.6 Å²	45.6	51%	0.505	27%	0.274	S	S	.	.			trans	-81.6	-19.2	178.8	0	0	0	0	0	114.4	H706 D709	H706-G711 PolarHBondContact O-N 3.44Å; D709-G711 VanDerWaalsContact C-N 3.29Å
712	I	90	Very high	90.2	Very high	31 Å²	31	45.7 Å²	45.7	16%	0.159	27%	0.274	C	S	.	.	S	Bend	trans	-127.3	141.1	-178.7	-53.9	163.4	0	0	0	109.2	L703 H706 T716	L703-I712 HydrophobicContact CD1-CD1 3.59Å; H706-I712 HydrophobicContact CB-CD1 3.84Å; H706-I712 HydrophobicContact CB-CG1 4.47Å; H706-I712 WeakPolarHBondContact CD2-CD1 3.34Å; H706-I712 WeakPolarHBondContact CD2-CG1 3.47Å; I712-T716 HydrophobicContact CG2-CG2 3.7Å
713	E	90.8	Very high	89.8	Confident	143 Å²	143	43.7 Å²	43.7	67%	0.668	26%	0.263	S	S	*	.			trans	-71.5	149.6	171.4	-63.1	-176.2	177	0	0	111.9	T715 T716 Y717	E713-T715 VanDerWaalsContact C-N 3.29Å; E713-T715 PolarHBondContact O-N 3.34Å; E713-T716 PolarHBondContact O-N 3.31Å; E713-T716 VanDerWaalsContact O-N 3.08Å; E713-Y717 PolarHBondContact O-N 3.1Å
714	S	90.3	Very high	89.4	Confident	53 Å²	53	42.2 Å²	42.2	37%	0.371	26%	0.256	S	S	.	.	H	α-helix	trans	-51.6	-46.3	-177.8	-163.3	0	0	0	0	112.7	T716 Y717 E718	S714-T716 PolarHBondContact O-N 3.36Å; S714-Y717 PolarHBondContact O-N 2.9Å; S714-E718 WeakPolarHBondContact O-CB 3.4Å; S714-E718 WeakPolarHBondContact O-CG 3.5Å; S714-E718 PolarHBondContact O-N 3.38Å; S714-E718 PolarHBondContact OG-OE1 3.06Å
715	T	88.9	Confident	89	Confident	80 Å²	80	42.5 Å²	42.5	49%	0.491	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-40.5	-179.3	49.1	0	0	0	0	112.5	E713 E718 D719	E713-T715 VanDerWaalsContact C-N 3.29Å; E713-T715 PolarHBondContact O-N 3.34Å; T715-E718 PolarHBondContact O-N 3Å; T715-D719 WeakPolarHBondContact O-CB 3.46Å; T715-D719 VanDerWaalsContact O-CG 3.3Å; T715-D719 PolarHBondContact O-N 2.83Å
716	T	90.8	Very high	88.6	Confident	79 Å²	79	41.2 Å²	41.2	49%	0.485	25%	0.252	S	S	.	.	H	α-helix	trans	-70.4	-39.1	179.5	-57.7	0	0	0	0	111.2	I712 E713 S714 A720	I712-T716 HydrophobicContact CG2-CG2 3.7Å; E713-T716 PolarHBondContact O-N 3.31Å; E713-T716 VanDerWaalsContact O-N 3.08Å; S714-T716 PolarHBondContact O-N 3.36Å; T716-A720 WeakPolarHBondContact O-CB 3.33Å; T716-A720 PolarHBondContact O-N 3.22Å
717	Y	92.6	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-47.7	173.1	170	-100.9	0	0	0	111.2	L703 T704 W707 E713 S714 D719 A720 V721 A732	L703-Y717 HydrophobicContact CD2-CD2 4.15Å; L703-Y717 HydrophobicContact CD2-CE2 4.24Å; L703-Y717 HydrophobicContact CG-CD2 3.81Å; L703-Y717 HydrophobicContact CG-CE2 3.99Å; T704-Y717 PolarHBondContact OG1-OH 3.28Å; T704-Y717 VanDerWaalsContact OG1-OH 3.12Å; W707-Y717 HydrophobicContact CB-CD2 3.56Å; W707-Y717 HydrophobicContact CB-CE2 4.05Å; W707-Y717 HydrophobicContact CB-CG 3.89Å; W707-Y717 AromaticContact CD2-CD1 3.63Å; W707-Y717 HydrophobicContact CD2-CD1 3.63Å; W707-Y717 HydrophobicContact CD2-CD2 4.11Å; W707-Y717 AromaticContact CD2-CE1 3.85Å; W707-Y717 HydrophobicContact CD2-CE1 3.85Å; W707-Y717 HydrophobicContact CD2-CE2 4.34Å; W707-Y717 AromaticContact CD2-CG 3.76Å; W707-Y717 HydrophobicContact CD2-CG 3.76Å; W707-Y717 AromaticContact CE2-CD1 3.91Å; W707-Y717 AromaticContact CE3-CD1 3.68Å; W707-Y717 HydrophobicContact CE3-CD1 3.68Å; W707-Y717 HydrophobicContact CE3-CD2 4.22Å; W707-Y717 AromaticContact CE3-CE1 3.36Å; W707-Y717 HydrophobicContact CE3-CE1 3.36Å; W707-Y717 AromaticContact CE3-CE2 3.97Å; W707-Y717 HydrophobicContact CE3-CE2 3.97Å; W707-Y717 HydrophobicContact CE3-CG 4.09Å; W707-Y717 AromaticContact CE3-CZ 3.51Å; W707-Y717 HydrophobicContact CG-CD1 4.07Å; W707-Y717 AromaticContact CG-CD2 3.87Å; W707-Y717 HydrophobicContact CG-CD2 3.87Å; W707-Y717 HydrophobicContact CG-CE2 4.41Å; W707-Y717 AromaticContact CG-CG 3.68Å; W707-Y717 HydrophobicContact CG-CG 3.68Å; W707-Y717 HydrophobicContact CH2-CD1 4.16Å; W707-Y717 AromaticContact CH2-CE1 3.93Å; W707-Y717 HydrophobicContact CH2-CE1 3.93Å; W707-Y717 HydrophobicContact CZ2-CD1 4.19Å; W707-Y717 HydrophobicContact CZ2-CE1 4.42Å; W707-Y717 AromaticContact CZ3-CD1 3.94Å; W707-Y717 HydrophobicContact CZ3-CD1 3.94Å; W707-Y717 AromaticContact CZ3-CE1 3.4Å; W707-Y717 HydrophobicContact CZ3-CE1 3.4Å; W707-Y717 VanDerWaalsContact CZ3-CE1 3.4Å; W707-Y717 AromaticContact CZ3-CZ 3.85Å; E713-Y717 PolarHBondContact O-N 3.1Å; S714-Y717 PolarHBondContact O-N 2.9Å; Y717-D719 VanDerWaalsContact C-N 3.33Å; Y717-D719 PolarHBondContact O-N 3.04Å; Y717-A720 PolarHBondContact O-N 2.89Å; Y717-V721 HydrophobicContact CD1-CG2 4.46Å; Y717-V721 HydrophobicContact CD2-CG2 4.09Å; Y717-V721 HydrophobicContact CE1-CG2 4.08Å; Y717-V721 HydrophobicContact CE2-CG2 3.64Å; Y717-V721 HydrophobicContact CG-CG2 4.48Å; Y717-V721 VanDerWaalsContact O-CG2 3.31Å; Y717-V721 WeakPolarHBondContact O-CG2 3.49Å; Y717-V721 PolarHBondContact O-N 3.3Å; Y717-A732 HydrophobicContact CE1-CB 4.37Å
718	E	90.4	Very high	87.9	Confident	15 Å²	15	44.8 Å²	44.8	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-44	179.3	-69.9	167	-156.1	0	0	112	K442 S714 T715 V721 R722 F733	K442-E718 IonicContact NZ-OE1 2.82Å; K442-E718 PolarHBondContact NZ-OE1 3.02Å; K442-E718 IonicContact NZ-OE2 3.37Å; K442-E718 PolarHBondContact NZ-OE2 3.37Å; S714-E718 WeakPolarHBondContact O-CB 3.4Å; S714-E718 WeakPolarHBondContact O-CG 3.5Å; S714-E718 PolarHBondContact O-N 3.38Å; S714-E718 PolarHBondContact OG-OE1 3.06Å; T715-E718 PolarHBondContact O-N 3Å; E718-V721 PolarHBondContact O-N 3.06Å; E718-R722 VanDerWaalsContact O-CB 3.23Å; E718-R722 WeakPolarHBondContact O-CB 3.47Å; E718-R722 PolarHBondContact O-N 2.97Å; E718-R722 PolarHBondContact O-NH1 3.14Å; E718-F733 HydrophobicContact CB-CD1 3.98Å; E718-F733 HydrophobicContact CB-CE1 3.69Å; E718-F733 HydrophobicContact CB-CE2 4.48Å; E718-F733 HydrophobicContact CB-CG 4.49Å; E718-F733 HydrophobicContact CB-CZ 3.98Å; E718-F733 HydrophobicContact CG-CB 4.26Å; E718-F733 HydrophobicContact CG-CD1 3.51Å; E718-F733 HydrophobicContact CG-CD2 4.19Å; E718-F733 HydrophobicContact CG-CE1 3.79Å; E718-F733 HydrophobicContact CG-CE2 4.44Å; E718-F733 HydrophobicContact CG-CG 3.73Å; E718-F733 HydrophobicContact CG-CZ 4.26Å
719	D	87	Confident	87.8	Confident	50 Å²	50	44.1 Å²	44.1	27%	0.267	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-46.2	177.1	-74.7	-7.9	0	0	0	111.6	K432 T715 Y717 V721 R722 D723	K432-D719 WeakPolarHBondContact CE-OD1 3.23Å; K432-D719 IonicContact NZ-OD1 3.68Å; K432-D719 PolarHBondContact NZ-OD1 3.17Å; K432-D719 IonicContact NZ-OD2 3.83Å; K432-D719 PolarHBondContact NZ-OD2 3.46Å; T715-D719 WeakPolarHBondContact O-CB 3.46Å; T715-D719 VanDerWaalsContact O-CG 3.3Å; T715-D719 PolarHBondContact O-N 2.83Å; Y717-D719 VanDerWaalsContact C-N 3.33Å; Y717-D719 PolarHBondContact O-N 3.04Å; D719-V721 VanDerWaalsContact C-N 3.34Å; D719-V721 PolarHBondContact O-N 3Å; D719-R722 PolarHBondContact O-N 3.23Å; D719-R722 VanDerWaalsContact O-N 3.13Å; D719-R722 IonicContact OD1-NH1 2.96Å; D719-R722 PolarHBondContact OD1-NH1 2.96Å; D719-D723 VanDerWaalsContact O-CG 3.29Å; D719-D723 PolarHBondContact O-N 3.42Å
720	A	88.5	Confident	87.8	Confident	32 Å²	32	43.5 Å²	43.5	26%	0.264	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-35.6	178.1	0	0	0	0	0	113.4	L703 T716 Y717	L703-A720 HydrophobicContact CD1-CB 4.24Å; L703-A720 HydrophobicContact CD2-CB 3.67Å; T716-A720 WeakPolarHBondContact O-CB 3.33Å; T716-A720 PolarHBondContact O-N 3.22Å; Y717-A720 PolarHBondContact O-N 2.89Å
721	V	90.3	Very high	88	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-72.3	-38.5	173.8	179.3	0	0	0	0	110.8	F656 F700 L703 Y717 E718 D719 D723 V724 F725 A729 A732	F656-V721 HydrophobicContact CE1-CG1 4.39Å; F700-V721 HydrophobicContact CD2-CG1 4.2Å; F700-V721 HydrophobicContact CD2-CG2 4.12Å; F700-V721 HydrophobicContact CE2-CG1 4.04Å; F700-V721 HydrophobicContact CE2-CG2 4.11Å; L703-V721 HydrophobicContact CD2-CG2 3.68Å; Y717-V721 HydrophobicContact CD1-CG2 4.46Å; Y717-V721 HydrophobicContact CD2-CG2 4.09Å; Y717-V721 HydrophobicContact CE1-CG2 4.08Å; Y717-V721 HydrophobicContact CE2-CG2 3.64Å; Y717-V721 HydrophobicContact CG-CG2 4.48Å; Y717-V721 VanDerWaalsContact O-CG2 3.31Å; Y717-V721 WeakPolarHBondContact O-CG2 3.49Å; Y717-V721 PolarHBondContact O-N 3.3Å; E718-V721 PolarHBondContact O-N 3.06Å; D719-V721 VanDerWaalsContact C-N 3.34Å; D719-V721 PolarHBondContact O-N 3Å; V721-D723 VanDerWaalsContact C-N 3.33Å; V721-V724 PolarHBondContact O-N 2.93Å; V721-F725 HydrophobicContact CG1-CD2 3.84Å; V721-F725 PolarHBondContact O-N 3.33Å; V721-A729 HydrophobicContact CB-CB 4.46Å; V721-A729 HydrophobicContact CG1-CB 3.84Å; V721-A732 HydrophobicContact CG1-CB 3.82Å
722	R	87.6	Confident	88.3	Confident	6 Å²	6	42.1 Å²	42.1	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-34.2	177.8	-163	-178.7	-67.9	101.2	-11.3	112.2	D438 E718 D719 V724 T726 A729 F733	D438-R722 IonicContact OD2-NH2 3.07Å; D438-R722 PolarHBondContact OD2-NH2 3.38Å; E718-R722 VanDerWaalsContact O-CB 3.23Å; E718-R722 WeakPolarHBondContact O-CB 3.47Å; E718-R722 PolarHBondContact O-N 2.97Å; E718-R722 PolarHBondContact O-NH1 3.14Å; D719-R722 PolarHBondContact O-N 3.23Å; D719-R722 VanDerWaalsContact O-N 3.13Å; D719-R722 IonicContact OD1-NH1 2.96Å; D719-R722 PolarHBondContact OD1-NH1 2.96Å; R722-V724 PolarHBondContact O-N 2.95Å; R722-T726 WeakPolarHBondContact O-CA 3.29Å; R722-T726 PolarHBondContact O-N 3.46Å; R722-A729 HydrophobicContact CB-CB 3.96Å; R722-A729 HydrophobicContact CG-CB 4.25Å; R722-F733 VanDerWaalsContact NH2-CE2 3.26Å; R722-F733 VanDerWaalsContact NH2-CZ 3.28Å
723	D	83	Confident	88.4	Confident	53 Å²	53	40.8 Å²	40.8	28%	0.283	21%	0.212	S	C	.	.	H	α-helix	trans	-62.7	-27.9	174.7	-72.7	-17.9	0	0	0	112.9	T678 V680 D719 V721	T678-D723 WeakPolarHBondContact CB-O 3.3Å; T678-D723 PolarHBondContact OG1-O 3.38Å; T678-D723 VanDerWaalsContact OG1-O 3.12Å; V680-D723 HydrophobicContact CB-CB 3.97Å; V680-D723 HydrophobicContact CG2-CB 3.58Å; D719-D723 VanDerWaalsContact O-CG 3.29Å; D719-D723 PolarHBondContact O-N 3.42Å; V721-D723 VanDerWaalsContact C-N 3.33Å
724	V	84.4	Confident	88.5	Confident	13 Å²	13	34 Å²	34	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-94.6	-43.8	-179.8	-179.1	0	0	0	0	112.6	L663 V680 V721 R722	L663-V724 WeakPolarHBondContact CD1-O 3.13Å; V680-V724 HydrophobicContact CG1-CG2 3.96Å; V721-V724 PolarHBondContact O-N 2.93Å; R722-V724 PolarHBondContact O-N 2.95Å
725	F	86.1	Confident	88.7	Confident	6 Å²	6	31.5 Å²	31.5	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-111.9	3.7	-172.2	-62.6	-70.8	0	0	0	114.9	F656 A659 S660 L663 F700 V721 L727 R728 A729	F656-F725 HydrophobicContact CB-CZ 4.43Å; F656-F725 HydrophobicContact CD1-CD1 4.03Å; F656-F725 AromaticContact CD1-CD2 3.67Å; F656-F725 HydrophobicContact CD1-CD2 3.67Å; F656-F725 HydrophobicContact CD1-CE1 4.09Å; F656-F725 AromaticContact CD1-CE2 3.71Å; F656-F725 HydrophobicContact CD1-CE2 3.71Å; F656-F725 AromaticContact CD1-CG 3.81Å; F656-F725 HydrophobicContact CD1-CG 3.81Å; F656-F725 AromaticContact CD1-CZ 3.93Å; F656-F725 HydrophobicContact CD1-CZ 3.93Å; F656-F725 HydrophobicContact CE1-CB 4.22Å; F656-F725 AromaticContact CE1-CD2 3.8Å; F656-F725 HydrophobicContact CE1-CD2 3.8Å; F656-F725 HydrophobicContact CE1-CE2 4.26Å; F656-F725 AromaticContact CE1-CG 3.95Å; F656-F725 HydrophobicContact CE1-CG 3.95Å; A659-F725 HydrophobicContact CB-CD1 3.93Å; A659-F725 HydrophobicContact CB-CE1 4.15Å; S660-F725 WeakPolarHBondContact OG-CE1 3.46Å; L663-F725 HydrophobicContact CD1-CD1 4.05Å; L663-F725 HydrophobicContact CD1-CE1 4.38Å; F700-F725 HydrophobicContact CB-CE2 3.74Å; F700-F725 HydrophobicContact CB-CZ 4.04Å; F700-F725 HydrophobicContact CD2-CD2 4.42Å; F700-F725 AromaticContact CD2-CE2 3.71Å; F700-F725 HydrophobicContact CD2-CE2 3.71Å; F700-F725 AromaticContact CG-CE2 3.74Å; F700-F725 HydrophobicContact CG-CE2 3.74Å; F700-F725 HydrophobicContact CG-CZ 4.23Å; V721-F725 HydrophobicContact CG1-CD2 3.84Å; V721-F725 PolarHBondContact O-N 3.33Å; F725-L727 PolarHBondContact O-N 3.43Å; F725-L727 VanDerWaalsContact O-N 3.11Å; F725-R728 HydrophobicContact CB-CB 4.38Å; F725-R728 PolarHBondContact O-N 2.9Å; F725-A729 HydrophobicContact CB-CB 4.46Å
726	T	83.9	Confident	88.9	Confident	12 Å²	12	30 Å²	30	7%	0.074	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	46.4	-113.6	177.2	66.8	0	0	0	0	112	W431 R722 R728 A729	W431-T726 HydrophobicContact CD2-CG2 4.03Å; W431-T726 HydrophobicContact CE3-CG2 3.97Å; W431-T726 HydrophobicContact CH2-CG2 4.23Å; W431-T726 HydrophobicContact CZ2-CG2 4.31Å; W431-T726 HydrophobicContact CZ3-CG2 4.08Å; R722-T726 WeakPolarHBondContact O-CA 3.29Å; R722-T726 PolarHBondContact O-N 3.46Å; T726-R728 VanDerWaalsContact C-N 3.26Å; T726-R728 PolarHBondContact O-N 2.91Å; T726-A729 WeakPolarHBondContact O-CB 3.38Å; T726-A729 PolarHBondContact O-N 3.36Å
727	L	83	Confident	88.9	Confident	75 Å²	75	29.3 Å²	29.3	39%	0.393	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-72.2	-11.6	-175.8	-57.1	174.1	0	0	0	114.2	W431 L434 D435 F725 Y730	W431-L727 HydrophobicContact CZ3-CG 4.44Å; L434-L727 HydrophobicContact CB-CD2 3.63Å; D435-L727 HydrophobicContact CB-CD2 4.5Å; F725-L727 PolarHBondContact O-N 3.43Å; F725-L727 VanDerWaalsContact O-N 3.11Å; L727-Y730 WeakPolarHBondContact O-CD1 3.49Å; L727-Y730 VanDerWaalsContact O-CE1 3.28Å; L727-Y730 WeakPolarHBondContact O-CE1 3.42Å
728	R	86.2	Confident	89	Confident	113 Å²	113	29.5 Å²	29.5	43%	0.426	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-92.4	-6.9	177.9	-64.9	-178.3	178.8	158.2	4.5	112.7	D662 F725 T726 Y730	D662-R728 IonicContact OD2-CZ 3.84Å; D662-R728 IonicContact OD2-NH1 2.9Å; D662-R728 PolarHBondContact OD2-NH1 3.29Å; D662-R728 IonicContact OD2-NH2 3.71Å; D662-R728 PolarHBondContact OD2-NH2 3.4Å; F725-R728 HydrophobicContact CB-CB 4.38Å; F725-R728 PolarHBondContact O-N 2.9Å; T726-R728 VanDerWaalsContact C-N 3.26Å; T726-R728 PolarHBondContact O-N 2.91Å; R728-Y730 VanDerWaalsContact C-N 3.34Å; R728-Y730 PolarHBondContact O-N 2.77Å
729	A	89.2	Confident	89.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65.6	-30.8	-173.3	0	0	0	0	0	114	V721 R722 F725 T726 K731 A732 F733	V721-A729 HydrophobicContact CB-CB 4.46Å; V721-A729 HydrophobicContact CG1-CB 3.84Å; R722-A729 HydrophobicContact CB-CB 3.96Å; R722-A729 HydrophobicContact CG-CB 4.25Å; F725-A729 HydrophobicContact CB-CB 4.46Å; T726-A729 WeakPolarHBondContact O-CB 3.38Å; T726-A729 PolarHBondContact O-N 3.36Å; A729-K731 PolarHBondContact O-N 3.2Å; A729-A732 VanDerWaalsContact O-CB 3.29Å; A729-A732 WeakPolarHBondContact O-CB 3.2Å; A729-A732 PolarHBondContact O-N 3.12Å; A729-F733 HydrophobicContact CB-CE1 3.95Å; A729-F733 HydrophobicContact CB-CZ 3.92Å; A729-F733 WeakPolarHBondContact O-CD1 3.47Å; A729-F733 VanDerWaalsContact O-CE1 3.28Å; A729-F733 WeakPolarHBondContact O-CE1 3.15Å
730	Y	89.2	Confident	89.6	Confident	35 Å²	35	28.9 Å²	28.9	14%	0.137	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-54.2	-29.9	-176.3	72.3	-89.7	0	0	0	114.2	H437 F441 L727 R728 A732 F733	H437-Y730 HydrophobicContact CB-CD1 4.15Å; H437-Y730 HydrophobicContact CB-CD2 4.21Å; H437-Y730 HydrophobicContact CB-CE1 4.22Å; H437-Y730 HydrophobicContact CB-CE2 4.24Å; H437-Y730 HydrophobicContact CB-CG 4.16Å; F441-Y730 HydrophobicContact CB-CD2 4.16Å; F441-Y730 AromaticContact CD1-CD2 3.7Å; F441-Y730 HydrophobicContact CD1-CD2 3.7Å; F441-Y730 WeakPolarHBondContact CD1-O 3.4Å; F441-Y730 AromaticContact CD2-CD2 3.59Å; F441-Y730 HydrophobicContact CD2-CD2 3.59Å; F441-Y730 AromaticContact CD2-CE2 3.65Å; F441-Y730 HydrophobicContact CD2-CE2 3.65Å; F441-Y730 AromaticContact CE1-CD2 3.91Å; F441-Y730 HydrophobicContact CE1-CD2 3.91Å; F441-Y730 WeakPolarHBondContact CE1-O 3.44Å; F441-Y730 AromaticContact CE2-CD2 3.81Å; F441-Y730 HydrophobicContact CE2-CD2 3.81Å; F441-Y730 AromaticContact CE2-CE2 3.69Å; F441-Y730 HydrophobicContact CE2-CE2 3.69Å; F441-Y730 AromaticContact CG-CD2 3.52Å; F441-Y730 HydrophobicContact CG-CD2 3.52Å; F441-Y730 HydrophobicContact CG-CE2 4.1Å; F441-Y730 AromaticContact CZ-CD2 3.97Å; F441-Y730 HydrophobicContact CZ-CD2 3.97Å; F441-Y730 HydrophobicContact CZ-CE2 4.16Å; L727-Y730 WeakPolarHBondContact O-CD1 3.49Å; L727-Y730 VanDerWaalsContact O-CE1 3.28Å; L727-Y730 WeakPolarHBondContact O-CE1 3.42Å; R728-Y730 VanDerWaalsContact C-N 3.34Å; R728-Y730 PolarHBondContact O-N 2.77Å; Y730-A732 PolarHBondContact O-N 3.38Å; Y730-F733 PolarHBondContact O-N 3.4Å
731	K	90.9	Very high	89.8	Confident	87 Å²	87	29 Å²	29	38%	0.378	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-65.1	-20.9	176.4	-64.8	-177.1	-178.8	179.2	0	113.6	R652 F656 A729	R652-K731 PolarHBondContact NH1-O 2.76Å; F656-K731 HydrophobicContact CE2-CB 4.08Å; F656-K731 HydrophobicContact CZ-CB 4.04Å; A729-K731 PolarHBondContact O-N 3.2Å
732	A	92.2	Very high	90	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-82.7	-21.1	178.3	0	0	0	0	0	113.4	F656 F700 Y717 V721 A729 Y730 T734 I735	F656-A732 HydrophobicContact CE1-CB 4.41Å; F656-A732 HydrophobicContact CE2-CB 3.89Å; F656-A732 HydrophobicContact CZ-CB 3.57Å; F700-A732 HydrophobicContact CE2-CB 3.87Å; F700-A732 HydrophobicContact CZ-CB 4.18Å; Y717-A732 HydrophobicContact CE1-CB 4.37Å; V721-A732 HydrophobicContact CG1-CB 3.82Å; A729-A732 VanDerWaalsContact O-CB 3.29Å; A729-A732 WeakPolarHBondContact O-CB 3.2Å; A729-A732 PolarHBondContact O-N 3.12Å; Y730-A732 PolarHBondContact O-N 3.38Å; A732-T734 PolarHBondContact O-N 3.44Å; A732-I735 HydrophobicContact CB-CD1 4.05Å; A732-I735 WeakPolarHBondContact O-CB 3.14Å; A732-I735 WeakPolarHBondContact O-CG1 3.38Å; A732-I735 PolarHBondContact O-N 3.09Å
733	F	91.2	Very high	90.3	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.018	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.4	-167.1	-57	-13.6	0	0	0	114.3	D438 K442 E718 R722 A729 Y730	D438-F733 HydrophobicContact CB-CE2 4.45Å; D438-F733 VanDerWaalsContact OD1-CD2 3.26Å; D438-F733 WeakPolarHBondContact OD1-CD2 3.35Å; D438-F733 WeakPolarHBondContact OD1-CE2 3.25Å; K442-F733 HydrophobicContact CG-CB 4.47Å; E718-F733 HydrophobicContact CB-CD1 3.98Å; E718-F733 HydrophobicContact CB-CE1 3.69Å; E718-F733 HydrophobicContact CB-CE2 4.48Å; E718-F733 HydrophobicContact CB-CG 4.49Å; E718-F733 HydrophobicContact CB-CZ 3.98Å; E718-F733 HydrophobicContact CG-CB 4.26Å; E718-F733 HydrophobicContact CG-CD1 3.51Å; E718-F733 HydrophobicContact CG-CD2 4.19Å; E718-F733 HydrophobicContact CG-CE1 3.79Å; E718-F733 HydrophobicContact CG-CE2 4.44Å; E718-F733 HydrophobicContact CG-CG 3.73Å; E718-F733 HydrophobicContact CG-CZ 4.26Å; R722-F733 VanDerWaalsContact NH2-CE2 3.26Å; R722-F733 VanDerWaalsContact NH2-CZ 3.28Å; A729-F733 HydrophobicContact CB-CE1 3.95Å; A729-F733 HydrophobicContact CB-CZ 3.92Å; A729-F733 WeakPolarHBondContact O-CD1 3.47Å; A729-F733 VanDerWaalsContact O-CE1 3.28Å; A729-F733 WeakPolarHBondContact O-CE1 3.15Å; Y730-F733 PolarHBondContact O-N 3.4Å
734	T	92.6	Very high	90.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	11.7	176.9	61	0	0	0	0	113	F441 K442 D445 R652 A732 D736 Q737 I738	F441-T734 HydrophobicContact CE1-CG2 4.39Å; K442-T734 HydrophobicContact CB-CG2 4.43Å; K442-T734 HydrophobicContact CG-CG2 4.35Å; D445-T734 HydrophobicContact CB-CG2 4.45Å; D445-T734 WeakPolarHBondContact OD2-CB 3.32Å; D445-T734 PolarHBondContact OD2-OG1 3.42Å; R652-T734 PolarHBondContact NH1-OG1 3.08Å; A732-T734 PolarHBondContact O-N 3.44Å; T734-D736 VanDerWaalsContact C-N 3.28Å; T734-D736 PolarHBondContact O-N 3.16Å; T734-Q737 PolarHBondContact O-N 2.93Å; T734-I738 WeakPolarHBondContact O-CG1 3.44Å; T734-I738 PolarHBondContact O-N 3.39Å; T734-I738 VanDerWaalsContact O-N 3.16Å
735	I	94	Very high	91.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-38.6	178.4	-71.9	175.5	0	0	0	110.9	L649 F656 F700 T704 W707 A732 Q737 I738 V739	L649-I735 HydrophobicContact CD1-CB 4.5Å; L649-I735 HydrophobicContact CD1-CG1 4.13Å; L649-I735 HydrophobicContact CD1-CG2 3.88Å; F656-I735 HydrophobicContact CE2-CD1 4.49Å; F700-I735 HydrophobicContact CZ-CD1 3.92Å; T704-I735 HydrophobicContact CG2-CG2 3.89Å; W707-I735 HydrophobicContact CZ3-CB 4.21Å; A732-I735 HydrophobicContact CB-CD1 4.05Å; A732-I735 WeakPolarHBondContact O-CB 3.14Å; A732-I735 WeakPolarHBondContact O-CG1 3.38Å; A732-I735 PolarHBondContact O-N 3.09Å; I735-Q737 PolarHBondContact O-N 2.8Å; I735-I738 PolarHBondContact O-N 3.12Å; I735-V739 HydrophobicContact CG2-CG2 4.03Å; I735-V739 WeakPolarHBondContact O-CB 3Å; I735-V739 VanDerWaalsContact O-CG2 3.27Å; I735-V739 WeakPolarHBondContact O-CG2 3.09Å; I735-V739 PolarHBondContact O-N 3.24Å
736	D	93.1	Very high	91.6	Very high	48 Å²	48	34.3 Å²	34.3	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-56.7	-46.5	175.6	68.3	-41.4	0	0	0	112.6	W707 L708 T734 I738 V739 H740	W707-D736 HydrophobicContact CD2-CB 4.41Å; W707-D736 HydrophobicContact CE3-CB 4.13Å; W707-D736 HydrophobicContact CH2-CB 3.31Å; W707-D736 WeakPolarHBondContact CH2-OD1 3.37Å; W707-D736 HydrophobicContact CZ2-CB 3.56Å; W707-D736 WeakPolarHBondContact CZ2-OD1 3.45Å; W707-D736 HydrophobicContact CZ3-CB 3.59Å; L708-D736 HydrophobicContact CD2-CB 4.1Å; T734-D736 VanDerWaalsContact C-N 3.28Å; T734-D736 PolarHBondContact O-N 3.16Å; D736-I738 VanDerWaalsContact C-N 3.34Å; D736-I738 PolarHBondContact O-N 3.07Å; D736-V739 PolarHBondContact O-N 2.76Å; D736-H740 VanDerWaalsContact O-CB 3.24Å; D736-H740 WeakPolarHBondContact O-CB 3.41Å; D736-H740 PolarHBondContact O-N 2.89Å
737	Q	92.3	Very high	92	Very high	64 Å²	64	37.7 Å²	37.7	30%	0.299	17%	0.165	S	C	.	.	H	α-helix	trans	-67.5	-38.4	-178.4	-64.4	-177.1	19.8	0	0	110.9	Q446 T734 I735 T741	Q446-Q737 VanDerWaalsContact CG-OE1 3.31Å; T734-Q737 PolarHBondContact O-N 2.93Å; I735-Q737 PolarHBondContact O-N 2.8Å; Q737-T741 WeakPolarHBondContact O-CB 3.19Å; Q737-T741 PolarHBondContact O-N 3.05Å; Q737-T741 PolarHBondContact O-OG1 2.86Å
738	I	94.6	Very high	92.4	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-50.4	174.9	-65.3	171.4	0	0	0	109.9	L645 I648 L649 T734 I735 D736 H740 T741 M742	L645-I738 HydrophobicContact CB-CG2 4.36Å; L645-I738 HydrophobicContact CD2-CG2 4.42Å; I648-I738 HydrophobicContact CG2-CD1 4.25Å; L649-I738 HydrophobicContact CB-CG2 4.04Å; L649-I738 HydrophobicContact CD2-CG2 4.39Å; T734-I738 WeakPolarHBondContact O-CG1 3.44Å; T734-I738 PolarHBondContact O-N 3.39Å; T734-I738 VanDerWaalsContact O-N 3.16Å; I735-I738 PolarHBondContact O-N 3.12Å; D736-I738 VanDerWaalsContact C-N 3.34Å; D736-I738 PolarHBondContact O-N 3.07Å; I738-H740 VanDerWaalsContact C-N 3.34Å; I738-H740 PolarHBondContact O-N 3.38Å; I738-T741 PolarHBondContact O-N 3.4Å; I738-M742 HydrophobicContact CG2-CG 4.28Å; I738-M742 HydrophobicContact CG2-SD 3.84Å; I738-M742 WeakPolarHBondContact O-CB 3.43Å; I738-M742 VanDerWaalsContact O-CG 3.26Å; I738-M742 WeakPolarHBondContact O-CG 3.26Å; I738-M742 PolarHBondContact O-N 3.3Å
739	V	94.8	Very high	92.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-43.4	178.9	171.9	0	0	0	0	111	L499 Y503 L649 L708 I735 D736 T741 M742 Y743	L499-V739 HydrophobicContact CB-CG2 4.45Å; Y503-V739 HydrophobicContact CD1-CG1 4.16Å; Y503-V739 HydrophobicContact CD2-CG1 4.31Å; Y503-V739 HydrophobicContact CG-CG1 3.75Å; L649-V739 HydrophobicContact CD2-CG2 3.64Å; L708-V739 HydrophobicContact CD1-CG1 4.35Å; L708-V739 HydrophobicContact CD1-CG2 4.5Å; L708-V739 HydrophobicContact CD2-CB 4.24Å; L708-V739 HydrophobicContact CD2-CG1 4.22Å; I735-V739 HydrophobicContact CG2-CG2 4.03Å; I735-V739 WeakPolarHBondContact O-CB 3Å; I735-V739 VanDerWaalsContact O-CG2 3.27Å; I735-V739 WeakPolarHBondContact O-CG2 3.09Å; I735-V739 PolarHBondContact O-N 3.24Å; D736-V739 PolarHBondContact O-N 2.76Å; V739-T741 PolarHBondContact O-N 3.44Å; V739-M742 PolarHBondContact O-N 2.96Å; V739-Y743 WeakPolarHBondContact O-CB 3.33Å; V739-Y743 PolarHBondContact O-N 3.43Å
740	H	93.4	Very high	92.6	Very high	52 Å²	52	30.7 Å²	30.7	24%	0.241	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-45.3	176	-177.4	73.4	0	0	0	111.9	Y503 D736 I738 Y743 R744	Y503-H740 HydrophobicContact CE1-CB 4.38Å; Y503-H740 AromaticContact CE1-ND1 3.73Å; Y503-H740 AromaticContact CZ-ND1 3.6Å; Y503-H740 PolarHBondContact OH-ND1 3.39Å; D736-H740 VanDerWaalsContact O-CB 3.24Å; D736-H740 WeakPolarHBondContact O-CB 3.41Å; D736-H740 PolarHBondContact O-N 2.89Å; I738-H740 VanDerWaalsContact C-N 3.34Å; I738-H740 PolarHBondContact O-N 3.38Å; H740-Y743 PolarHBondContact O-N 2.88Å; H740-R744 PolarHBondContact NE2-NE 2.91Å; H740-R744 PolarHBondContact NE2-NH2 3.4Å; H740-R744 WeakPolarHBondContact O-CG 3.09Å; H740-R744 PolarHBondContact O-N 3.42Å
741	T	93.6	Very high	92.5	Very high	33 Å²	33	30.2 Å²	30.2	20%	0.202	14%	0.139	C	C	.	.	H	α-helix	trans	-67.1	-41.7	178.8	-54.6	0	0	0	0	111	L645 Q737 I738 V739 R744 Q745	L645-T741 HydrophobicContact CD1-CG2 3.57Å; Q737-T741 WeakPolarHBondContact O-CB 3.19Å; Q737-T741 PolarHBondContact O-N 3.05Å; Q737-T741 PolarHBondContact O-OG1 2.86Å; I738-T741 PolarHBondContact O-N 3.4Å; V739-T741 PolarHBondContact O-N 3.44Å; T741-R744 PolarHBondContact O-N 3.05Å; T741-Q745 WeakPolarHBondContact O-CG 3.47Å; T741-Q745 PolarHBondContact O-N 2.97Å
742	M	94.9	Very high	92.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-47.6	174	-74.5	176.9	69.7	0	0	111.6	T496 V500 F642 L645 Y646 L649 I738 V739 R744 Q745 L746	T496-M742 HydrophobicContact CG2-CE 4.25Å; V500-M742 HydrophobicContact CG2-CB 4.36Å; V500-M742 HydrophobicContact CG2-CE 3.6Å; V500-M742 HydrophobicContact CG2-SD 4.14Å; F642-M742 HydrophobicContact CD2-CB 4.3Å; F642-M742 HydrophobicContact CE2-CB 4.34Å; F642-M742 HydrophobicContact CE2-CE 3.97Å; F642-M742 HydrophobicContact CZ-CE 4.4Å; L645-M742 HydrophobicContact CB-CG 3.46Å; L645-M742 VanDerWaalsContact CB-CG 3.46Å; L645-M742 HydrophobicContact CB-SD 4.06Å; L645-M742 HydrophobicContact CD1-CG 4.03Å; L645-M742 HydrophobicContact CG-CG 4.4Å; Y646-M742 HydrophobicContact CD2-CE 3.48Å; Y646-M742 VanDerWaalsContact CD2-CE 3.48Å; Y646-M742 HydrophobicContact CE2-CE 4.39Å; Y646-M742 HydrophobicContact CG-CE 3.89Å; L649-M742 HydrophobicContact CB-SD 4.24Å; L649-M742 HydrophobicContact CD2-SD 3.8Å; I738-M742 HydrophobicContact CG2-CG 4.28Å; I738-M742 HydrophobicContact CG2-SD 3.84Å; I738-M742 WeakPolarHBondContact O-CB 3.43Å; I738-M742 VanDerWaalsContact O-CG 3.26Å; I738-M742 WeakPolarHBondContact O-CG 3.26Å; I738-M742 PolarHBondContact O-N 3.3Å; V739-M742 PolarHBondContact O-N 2.96Å; M742-R744 VanDerWaalsContact C-N 3.34Å; M742-R744 PolarHBondContact O-N 2.97Å; M742-Q745 PolarHBondContact O-N 2.78Å; M742-L746 VanDerWaalsContact O-CB 3.3Å; M742-L746 WeakPolarHBondContact O-CB 3.31Å; M742-L746 PolarHBondContact O-N 3.37Å
743	Y	94.2	Very high	92	Very high	19 Å²	19	32.5 Å²	32.5	8%	0.075	15%	0.153	C	C	.	.	H	α-helix	trans	-57.6	-44.8	174.9	157.5	-101.6	0	0	0	111.8	Y503 M504 Q507 V510 M518 V739 H740 Q745 L746 Y747	Y503-Y743 HydrophobicContact CD1-CD1 4.23Å; Y503-Y743 AromaticContact CD1-CG 3.99Å; Y503-Y743 HydrophobicContact CD1-CG 3.99Å; Y503-Y743 AromaticContact CE1-CD1 3.83Å; Y503-Y743 HydrophobicContact CE1-CD1 3.83Å; Y503-Y743 HydrophobicContact CE1-CE1 4.49Å; Y503-Y743 HydrophobicContact CE1-CG 4.07Å; M504-Y743 HydrophobicContact CB-CD2 4.05Å; M504-Y743 HydrophobicContact CB-CE2 4.38Å; M504-Y743 HydrophobicContact CG-CD2 4.2Å; M504-Y743 HydrophobicContact CG-CE2 4.17Å; Q507-Y743 HydrophobicContact CB-CE2 4.32Å; Q507-Y743 WeakPolarHBondContact CB-OH 3.33Å; Q507-Y743 HydrophobicContact CG-CE1 3.95Å; Q507-Y743 HydrophobicContact CG-CE2 3.86Å; V510-Y743 HydrophobicContact CG2-CE2 4.48Å; V510-Y743 WeakPolarHBondContact CG2-OH 3.34Å; M518-Y743 HydrophobicContact CE-CE2 4.42Å; V739-Y743 WeakPolarHBondContact O-CB 3.33Å; V739-Y743 PolarHBondContact O-N 3.43Å; H740-Y743 PolarHBondContact O-N 2.88Å; Y743-Q745 PolarHBondContact O-N 3.32Å; Y743-L746 PolarHBondContact O-N 2.96Å; Y743-Y747 WeakPolarHBondContact O-CB 3.27Å; Y743-Y747 PolarHBondContact O-N 2.84Å
744	R	93.7	Very high	91.9	Very high	149 Å²	149	34 Å²	34	56%	0.562	16%	0.162	S	C	*	.	H	α-helix	trans	-61.2	-44.7	176	-73.9	-167.9	-175.5	-142.7	4.1	112.4	H740 T741 M742 L746 Y747 V748	H740-R744 PolarHBondContact NE2-NE 2.91Å; H740-R744 PolarHBondContact NE2-NH2 3.4Å; H740-R744 WeakPolarHBondContact O-CG 3.09Å; H740-R744 PolarHBondContact O-N 3.42Å; T741-R744 PolarHBondContact O-N 3.05Å; M742-R744 VanDerWaalsContact C-N 3.34Å; M742-R744 PolarHBondContact O-N 2.97Å; R744-L746 VanDerWaalsContact C-N 3.32Å; R744-Y747 PolarHBondContact O-N 3.27Å; R744-V748 WeakPolarHBondContact O-CG2 3.31Å; R744-V748 PolarHBondContact O-N 2.96Å
745	Q	93.4	Very high	91.7	Very high	23 Å²	23	34 Å²	34	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-39.8	176.8	-63.1	-52.5	-48.8	0	0	111.4	T451 V641 F642 T741 M742 Y743 V748 I749	T451-Q745 PolarHBondContact OG1-NE2 3.27Å; V641-Q745 HydrophobicContact CB-CG 4.19Å; V641-Q745 HydrophobicContact CG1-CG 3.8Å; F642-Q745 HydrophobicContact CB-CB 4.04Å; T741-Q745 WeakPolarHBondContact O-CG 3.47Å; T741-Q745 PolarHBondContact O-N 2.97Å; M742-Q745 PolarHBondContact O-N 2.78Å; Y743-Q745 PolarHBondContact O-N 3.32Å; Q745-V748 PolarHBondContact O-N 2.84Å; Q745-I749 VanDerWaalsContact O-CG1 3.29Å; Q745-I749 WeakPolarHBondContact O-CG1 3.39Å; Q745-I749 PolarHBondContact O-N 2.98Å
746	L	92.8	Very high	91.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-38.4	177.6	-168.7	64.8	0	0	0	111.9	V500 M518 I521 V522 F642 M742 Y743 R744 I749 V750	V500-L746 HydrophobicContact CG1-CD2 4.09Å; M518-L746 HydrophobicContact CB-CD2 3.69Å; M518-L746 HydrophobicContact CB-CG 3.93Å; M518-L746 HydrophobicContact CG-CD2 3.99Å; M518-L746 HydrophobicContact CG-CG 3.7Å; M518-L746 HydrophobicContact SD-CB 4.24Å; M518-L746 HydrophobicContact SD-CD2 4.12Å; M518-L746 HydrophobicContact SD-CG 3.91Å; I521-L746 HydrophobicContact CB-CD1 4.3Å; I521-L746 HydrophobicContact CD1-CD1 4.41Å; I521-L746 HydrophobicContact CG2-CD1 3.74Å; V522-L746 HydrophobicContact CG2-CD1 4.3Å; V522-L746 HydrophobicContact CG2-CD2 3.62Å; F642-L746 HydrophobicContact CD2-CB 4.21Å; F642-L746 HydrophobicContact CD2-CD1 4.45Å; F642-L746 HydrophobicContact CE2-CB 4.1Å; F642-L746 HydrophobicContact CE2-CD1 4.02Å; F642-L746 HydrophobicContact CE2-CD2 4.39Å; F642-L746 HydrophobicContact CE2-CG 4.38Å; F642-L746 HydrophobicContact CZ-CD1 4.08Å; M742-L746 VanDerWaalsContact O-CB 3.3Å; M742-L746 WeakPolarHBondContact O-CB 3.31Å; M742-L746 PolarHBondContact O-N 3.37Å; Y743-L746 PolarHBondContact O-N 2.96Å; R744-L746 VanDerWaalsContact C-N 3.32Å; L746-I749 PolarHBondContact O-N 3.34Å; L746-V750 WeakPolarHBondContact O-CG2 3.09Å; L746-V750 PolarHBondContact O-N 2.83Å
747	Y	92.2	Very high	91	Very high	83 Å²	83	34.6 Å²	34.6	33%	0.325	16%	0.163	S	C	.	.	H	α-helix	trans	-62.1	-43.3	171.7	179.9	-97.5	0	0	0	111.6	V510 Y514 M518 Y743 R744 V750 S751	V510-Y747 HydrophobicContact CB-CE2 4.39Å; V510-Y747 HydrophobicContact CG1-CD2 3.96Å; V510-Y747 HydrophobicContact CG1-CE2 3.85Å; V510-Y747 HydrophobicContact CG2-CD2 3.82Å; V510-Y747 HydrophobicContact CG2-CE2 3.74Å; Y514-Y747 HydrophobicContact CD2-CE2 4.24Å; M518-Y747 HydrophobicContact CE-CD2 4.3Å; Y743-Y747 WeakPolarHBondContact O-CB 3.27Å; Y743-Y747 PolarHBondContact O-N 2.84Å; R744-Y747 PolarHBondContact O-N 3.27Å; Y747-V750 PolarHBondContact O-N 3.3Å; Y747-S751 VanDerWaalsContact O-CB 3.26Å; Y747-S751 WeakPolarHBondContact O-CB 3.39Å; Y747-S751 PolarHBondContact O-N 3.31Å; Y747-S751 PolarHBondContact O-OG 3.36Å
748	V	92.2	Very high	90.7	Very high	35 Å²	35	31.7 Å²	31.7	21%	0.212	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-42.9	175.2	174	0	0	0	0	111.3	P638 R744 Q745 V750 S751 E752	P638-V748 HydrophobicContact CB-CG1 4.09Å; P638-V748 HydrophobicContact CG-CG1 3.61Å; R744-V748 WeakPolarHBondContact O-CG2 3.31Å; R744-V748 PolarHBondContact O-N 2.96Å; Q745-V748 PolarHBondContact O-N 2.84Å; V748-V750 PolarHBondContact O-N 3.28Å; V748-S751 PolarHBondContact O-N 3.45Å; V748-E752 HydrophobicContact CG1-CG 4.07Å; V748-E752 WeakPolarHBondContact O-CB 3.46Å; V748-E752 PolarHBondContact O-N 2.96Å
749	I	90.9	Very high	90.2	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-56.8	-34.7	177.1	-71.4	166	0	0	0	111.9	I521 P638 W639 F642 Q745 L746 P755 V756	I521-I749 HydrophobicContact CD1-CG2 4.08Å; P638-I749 HydrophobicContact CB-CD1 4.43Å; P638-I749 HydrophobicContact CB-CG1 3.75Å; W639-I749 HydrophobicContact CD2-CD1 3.95Å; W639-I749 HydrophobicContact CD2-CG1 4.38Å; W639-I749 HydrophobicContact CD2-CG2 4.43Å; W639-I749 HydrophobicContact CE3-CD1 4.04Å; W639-I749 HydrophobicContact CG-CD1 4.3Å; W639-I749 HydrophobicContact CG-CG1 4.48Å; W639-I749 HydrophobicContact CH2-CG2 4.01Å; W639-I749 HydrophobicContact CZ2-CG2 3.44Å; W639-I749 VanDerWaalsContact CZ2-CG2 3.44Å; W639-I749 HydrophobicContact CZ3-CD1 4.4Å; F642-I749 HydrophobicContact CB-CD1 3.97Å; F642-I749 HydrophobicContact CD1-CD1 4.44Å; F642-I749 HydrophobicContact CG-CD1 4.18Å; Q745-I749 VanDerWaalsContact O-CG1 3.29Å; Q745-I749 WeakPolarHBondContact O-CG1 3.39Å; Q745-I749 PolarHBondContact O-N 2.98Å; L746-I749 PolarHBondContact O-N 3.34Å; I749-P755 HydrophobicContact CB-CB 4.41Å; I749-P755 HydrophobicContact CG1-CB 4.49Å; I749-P755 HydrophobicContact CG2-CB 4.35Å; I749-V756 VanDerWaalsContact O-CG2 3.32Å; I749-V756 WeakPolarHBondContact O-CG2 3.28Å
750	V	88.7	Confident	89.7	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-94.6	-28.7	-175.4	172.2	0	0	0	0	113.1	Y514 Q517 M518 I521 L746 Y747 V748	Y514-V750 HydrophobicContact CD1-CG1 3.5Å; Y514-V750 HydrophobicContact CE1-CG1 4.33Å; Y514-V750 HydrophobicContact CG-CG1 4.15Å; Q517-V750 HydrophobicContact CB-CG1 3.75Å; Q517-V750 HydrophobicContact CB-CG2 4.22Å; M518-V750 HydrophobicContact CG-CB 4.12Å; M518-V750 HydrophobicContact CG-CG1 4.46Å; M518-V750 HydrophobicContact CG-CG2 3.63Å; I521-V750 HydrophobicContact CD1-CG2 3.53Å; L746-V750 WeakPolarHBondContact O-CG2 3.09Å; L746-V750 PolarHBondContact O-N 2.83Å; Y747-V750 PolarHBondContact O-N 3.3Å; V748-V750 PolarHBondContact O-N 3.28Å
751	S	86.7	Confident	89.4	Confident	26 Å²	26	34.5 Å²	34.5	18%	0.182	16%	0.162	C	C	.	.	H	α-helix	trans	-90.1	-27.4	-176.6	56.9	0	0	0	0	114.2	L612 Y747 V748	L612-S751 VanDerWaalsContact CD1-O 3.25Å; L612-S751 WeakPolarHBondContact CD1-O 3.26Å; Y747-S751 VanDerWaalsContact O-CB 3.26Å; Y747-S751 WeakPolarHBondContact O-CB 3.39Å; Y747-S751 PolarHBondContact O-N 3.31Å; Y747-S751 PolarHBondContact O-OG 3.36Å; V748-S751 PolarHBondContact O-N 3.45Å
752	E	87.8	Confident	89	Confident	77 Å²	77	33.1 Å²	33.1	36%	0.36	15%	0.153	S	C	.	.	S	Bend	trans	-90.1	145.8	178.3	-68.3	-173.9	-179.4	0	0	112	V748 P755 V756	V748-E752 HydrophobicContact CG1-CG 4.07Å; V748-E752 WeakPolarHBondContact O-CB 3.46Å; V748-E752 PolarHBondContact O-N 2.96Å; E752-P755 HydrophobicContact CB-CG 4.08Å; E752-P755 WeakPolarHBondContact O-CD 3.48Å; E752-V756 VanDerWaalsContact O-CG2 3.29Å; E752-V756 WeakPolarHBondContact O-CG2 3.18Å
753	L	85.7	Confident	88.2	Confident	57 Å²	57	35.8 Å²	35.8	30%	0.298	17%	0.165	S	C	.	.	H	α-helix	trans	-68.9	-36.6	-178.1	-169.9	63.6	0	0	0	112.4	L612 F615 V756 K757	L612-L753 HydrophobicContact CD2-CB 4.17Å; L612-L753 HydrophobicContact CD2-CD1 3.65Å; L612-L753 HydrophobicContact CG-CD1 4.41Å; F615-L753 HydrophobicContact CD2-CD1 4.08Å; F615-L753 HydrophobicContact CE2-CD1 3.57Å; F615-L753 HydrophobicContact CZ-CD1 4.11Å; L753-V756 PolarHBondContact O-N 2.76Å; L753-K757 HydrophobicContact CD1-CD 4.26Å; L753-K757 HydrophobicContact CD1-CG 4.16Å; L753-K757 HydrophobicContact CD2-CD 4.28Å; L753-K757 HydrophobicContact CG-CD 3.82Å; L753-K757 HydrophobicContact CG-CG 4.1Å; L753-K757 WeakPolarHBondContact O-CB 2.93Å; L753-K757 VanDerWaalsContact O-CG 3.3Å; L753-K757 WeakPolarHBondContact O-CG 3.41Å; L753-K757 PolarHBondContact O-N 2.92Å
754	T	88.5	Confident	87.8	Confident	37 Å²	37	37.9 Å²	37.9	23%	0.227	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-51.8	-174.7	-47.7	0	0	0	0	113.1	P636 V756 K757 A758 L792 T793	P636-T754 HydrophobicContact CG-CG2 4.49Å; T754-V756 VanDerWaalsContact C-N 3.3Å; T754-V756 PolarHBondContact O-N 3.18Å; T754-K757 PolarHBondContact O-N 3.32Å; T754-A758 WeakPolarHBondContact O-CB 3.39Å; T754-A758 PolarHBondContact O-N 3.44Å; T754-L792 HydrophobicContact CG2-CD2 3.78Å; T754-L792 WeakPolarHBondContact O-CD2 3.28Å; T754-T793 HydrophobicContact CG2-CG2 4.03Å
755	P	87.7	Confident	87.4	Confident	1 Å²	1	32 Å²	32	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-33.5	177.5	-16.1	28.5	0	0	0	113.3	P636 I749 E752 F759	P636-P755 HydrophobicContact CG-CB 3.86Å; P636-P755 HydrophobicContact CG-CG 3.67Å; I749-P755 HydrophobicContact CB-CB 4.41Å; I749-P755 HydrophobicContact CG1-CB 4.49Å; I749-P755 HydrophobicContact CG2-CB 4.35Å; E752-P755 HydrophobicContact CB-CG 4.08Å; E752-P755 WeakPolarHBondContact O-CD 3.48Å; P755-F759 PolarHBondContact O-N 3.4Å
756	V	86.4	Confident	86.7	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.024	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-50.2	175.6	168.8	0	0	0	0	111.1	F615 I617 I749 E752 L753 T754 A758 F759 K760	F615-V756 HydrophobicContact CB-CG1 3.99Å; F615-V756 HydrophobicContact CG-CG1 4.22Å; I617-V756 HydrophobicContact CD1-CB 4.05Å; I617-V756 HydrophobicContact CD1-CG1 3.42Å; I617-V756 VanDerWaalsContact CD1-CG1 3.42Å; I617-V756 HydrophobicContact CD1-CG2 3.57Å; I617-V756 HydrophobicContact CG1-CG1 3.81Å; I749-V756 VanDerWaalsContact O-CG2 3.32Å; I749-V756 WeakPolarHBondContact O-CG2 3.28Å; E752-V756 VanDerWaalsContact O-CG2 3.29Å; E752-V756 WeakPolarHBondContact O-CG2 3.18Å; L753-V756 PolarHBondContact O-N 2.76Å; T754-V756 VanDerWaalsContact C-N 3.3Å; T754-V756 PolarHBondContact O-N 3.18Å; V756-A758 VanDerWaalsContact C-N 3.3Å; V756-A758 PolarHBondContact O-N 2.87Å; V756-F759 PolarHBondContact O-N 3.25Å; V756-K760 PolarHBondContact O-N 3.31Å
757	K	86.5	Confident	85.9	Confident	56 Å²	56	32.9 Å²	32.9	24%	0.243	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-40.1	176.2	-71.3	-177.5	168.9	-177	0	111	E610 F615 L753 T754 F759 K760 L761 L792	E610-K757 WeakPolarHBondContact OE2-CE 3.4Å; E610-K757 IonicContact OE2-NZ 2.87Å; E610-K757 PolarHBondContact OE2-NZ 2.74Å; F615-K757 HydrophobicContact CE1-CG 4.02Å; F615-K757 HydrophobicContact CZ-CG 4.13Å; L753-K757 HydrophobicContact CD1-CD 4.26Å; L753-K757 HydrophobicContact CD1-CG 4.16Å; L753-K757 HydrophobicContact CD2-CD 4.28Å; L753-K757 HydrophobicContact CG-CD 3.82Å; L753-K757 HydrophobicContact CG-CG 4.1Å; L753-K757 WeakPolarHBondContact O-CB 2.93Å; L753-K757 VanDerWaalsContact O-CG 3.3Å; L753-K757 WeakPolarHBondContact O-CG 3.41Å; L753-K757 PolarHBondContact O-N 2.92Å; T754-K757 PolarHBondContact O-N 3.32Å; K757-F759 VanDerWaalsContact C-N 3.3Å; K757-F759 PolarHBondContact O-N 2.97Å; K757-K760 PolarHBondContact O-N 3.49Å; K757-L761 WeakPolarHBondContact O-CB 3.45Å; K757-L761 PolarHBondContact O-N 2.73Å; K757-L792 HydrophobicContact CB-CD1 3.64Å; K757-L792 HydrophobicContact CB-CD2 4.23Å; K757-L792 HydrophobicContact CB-CG 4.22Å
758	A	86.9	Confident	85.3	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-38.1	175.7	0	0	0	0	0	112.4	T754 V756 L761 H762 L792	T754-A758 WeakPolarHBondContact O-CB 3.39Å; T754-A758 PolarHBondContact O-N 3.44Å; V756-A758 VanDerWaalsContact C-N 3.3Å; V756-A758 PolarHBondContact O-N 2.87Å; A758-L761 WeakPolarHBondContact O-CB 3.2Å; A758-L761 PolarHBondContact O-N 2.99Å; A758-H762 PolarHBondContact O-N 3.3Å; A758-L792 HydrophobicContact CB-CD2 3.95Å
759	F	84.1	Confident	84.8	Confident	14 Å²	14	34.5 Å²	34.5	6%	0.061	17%	0.17	C	C	.	.	H	α-helix	trans	-71.2	-42.6	175	-175.5	-100.8	0	0	0	112.6	M525 I617 L618 L633 W639 P755 V756 K757 L761 H762 E763	M525-F759 HydrophobicContact CE-CE2 3.97Å; M525-F759 HydrophobicContact CG-CE2 3.55Å; M525-F759 HydrophobicContact CG-CZ 3.46Å; M525-F759 VanDerWaalsContact CG-CZ 3.46Å; M525-F759 HydrophobicContact SD-CE2 3.81Å; M525-F759 HydrophobicContact SD-CZ 4.35Å; I617-F759 HydrophobicContact CG2-CD1 4.17Å; I617-F759 HydrophobicContact CG2-CE1 4.29Å; L618-F759 HydrophobicContact CD1-CE1 4.03Å; L618-F759 HydrophobicContact CD1-CZ 4.5Å; L633-F759 HydrophobicContact CD1-CD2 4.42Å; W639-F759 HydrophobicContact CH2-CD2 4.22Å; W639-F759 HydrophobicContact CZ2-CB 4.22Å; W639-F759 AromaticContact CZ2-CD2 3.95Å; W639-F759 HydrophobicContact CZ2-CD2 3.95Å; W639-F759 HydrophobicContact CZ2-CG 4.3Å; P755-F759 PolarHBondContact O-N 3.4Å; V756-F759 PolarHBondContact O-N 3.25Å; K757-F759 VanDerWaalsContact C-N 3.3Å; K757-F759 PolarHBondContact O-N 2.97Å; F759-L761 PolarHBondContact O-N 3.34Å; F759-H762 WeakPolarHBondContact O-CA 3.26Å; F759-H762 VanDerWaalsContact O-CB 3.26Å; F759-H762 WeakPolarHBondContact O-CB 3.4Å; F759-H762 PolarHBondContact O-N 3.47Å; F759-E763 PolarHBondContact O-N 2.75Å
760	K	84.4	Confident	83.9	Confident	89 Å²	89	36.7 Å²	36.7	39%	0.387	18%	0.178	S	C	.	.	H	α-helix	trans	-60.2	-35.9	173.1	-172.2	167.9	-178.6	176	0	111.5	F615 V756 K757 E763 T764	F615-K760 HydrophobicContact CD1-CD 3.64Å; F615-K760 HydrophobicContact CE1-CD 4.12Å; V756-K760 PolarHBondContact O-N 3.31Å; K757-K760 PolarHBondContact O-N 3.49Å; K760-E763 WeakPolarHBondContact O-CB 3.34Å; K760-E763 PolarHBondContact O-N 3.15Å; K760-T764 WeakPolarHBondContact O-CG2 3.33Å; K760-T764 PolarHBondContact O-N 3Å; K760-T764 VanDerWaalsContact O-N 3.08Å
761	L	86.4	Confident	83	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-39.5	172.5	-168.5	69.2	0	0	0	111.8	K757 A758 F759 E763 T764 W765 Y785 E788 A789 L792	K757-L761 WeakPolarHBondContact O-CB 3.45Å; K757-L761 PolarHBondContact O-N 2.73Å; A758-L761 WeakPolarHBondContact O-CB 3.2Å; A758-L761 PolarHBondContact O-N 2.99Å; F759-L761 PolarHBondContact O-N 3.34Å; L761-E763 VanDerWaalsContact C-N 3.33Å; L761-E763 PolarHBondContact O-N 3.29Å; L761-T764 PolarHBondContact O-N 2.82Å; L761-T764 PolarHBondContact O-OG1 3.41Å; L761-W765 VanDerWaalsContact CD1-CD1 3.48Å; L761-W765 WeakPolarHBondContact O-CB 3.44Å; L761-W765 VanDerWaalsContact O-CD1 3.23Å; L761-W765 PolarHBondContact O-N 2.95Å; L761-Y785 HydrophobicContact CB-CE2 4.27Å; L761-Y785 HydrophobicContact CD2-CD2 3.93Å; L761-Y785 HydrophobicContact CD2-CE2 3.68Å; L761-Y785 HydrophobicContact CG-CD2 3.93Å; L761-Y785 HydrophobicContact CG-CE2 3.6Å; L761-E788 HydrophobicContact CD1-CG 3.83Å; L761-E788 WeakPolarHBondContact CD1-OE1 3.42Å; L761-E788 HydrophobicContact CD2-CB 4.21Å; L761-E788 HydrophobicContact CD2-CG 4.07Å; L761-A789 HydrophobicContact CD2-CB 3.97Å; L761-L792 HydrophobicContact CD2-CD1 4.33Å
762	H	84.7	Confident	82.4	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-43.2	171.5	179.4	65.6	0	0	0	112.1	S631 I632 L633 A758 F759 T764 W765 A766 Y785	S631-H762 PolarHBondContact OG-CE1 3.2Å; I632-H762 PolarHBondContact O-CE1 3.35Å; I632-H762 PolarHBondContact O-ND1 3.1Å; L633-H762 HydrophobicContact CD1-CB 3.58Å; A758-H762 PolarHBondContact O-N 3.3Å; F759-H762 WeakPolarHBondContact O-CA 3.26Å; F759-H762 VanDerWaalsContact O-CB 3.26Å; F759-H762 WeakPolarHBondContact O-CB 3.4Å; F759-H762 PolarHBondContact O-N 3.47Å; H762-T764 VanDerWaalsContact C-N 3.32Å; H762-T764 PolarHBondContact O-N 3.49Å; H762-W765 PolarHBondContact O-N 3.26Å; H762-A766 WeakPolarHBondContact O-CA 3.17Å; H762-A766 WeakPolarHBondContact O-CB 3.47Å; H762-A766 PolarHBondContact O-N 2.89Å; H762-Y785 VanDerWaalsContact CA-OH 3.31Å; H762-Y785 WeakPolarHBondContact CA-OH 3.18Å; H762-Y785 VanDerWaalsContact CB-OH 3.31Å; H762-Y785 WeakPolarHBondContact CB-OH 3.49Å
763	E	79.4	Confident	81.5	Confident	56 Å²	56	35.7 Å²	35.7	26%	0.262	18%	0.179	S	C	.	.	H	α-helix	trans	-62.6	-36.5	179.5	-171.3	175.7	-169.9	0	0	112.7	F759 K760 L761 P767	F759-E763 PolarHBondContact O-N 2.75Å; K760-E763 WeakPolarHBondContact O-CB 3.34Å; K760-E763 PolarHBondContact O-N 3.15Å; L761-E763 VanDerWaalsContact C-N 3.33Å; L761-E763 PolarHBondContact O-N 3.29Å; E763-P767 WeakPolarHBondContact O-CD 3.3Å; E763-P767 WeakPolarHBondContact O-CG 3.3Å
764	T	84.1	Confident	81	Confident	64 Å²	64	37.5 Å²	37.5	39%	0.393	19%	0.189	S	C	.	.	H	α-helix	trans	-75.1	-39.6	176.8	59	0	0	0	0	112.8	K760 L761 H762	K760-T764 WeakPolarHBondContact O-CG2 3.33Å; K760-T764 PolarHBondContact O-N 3Å; K760-T764 VanDerWaalsContact O-N 3.08Å; L761-T764 PolarHBondContact O-N 2.82Å; L761-T764 PolarHBondContact O-OG1 3.41Å; H762-T764 VanDerWaalsContact C-N 3.32Å; H762-T764 PolarHBondContact O-N 3.49Å
765	W	85.4	Confident	80.5	Confident	24 Å²	24	40.7 Å²	40.7	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-86.1	-31.2	-176	-76.7	95.8	0	0	0	114	L761 H762 R768 I769 L781 Y785 E788	L761-W765 VanDerWaalsContact CD1-CD1 3.48Å; L761-W765 WeakPolarHBondContact O-CB 3.44Å; L761-W765 VanDerWaalsContact O-CD1 3.23Å; L761-W765 PolarHBondContact O-N 2.95Å; H762-W765 PolarHBondContact O-N 3.26Å; W765-R768 WeakPolarHBondContact O-CB 3.44Å; W765-R768 PolarHBondContact O-N 3.31Å; W765-I769 HydrophobicContact CB-CD1 4.29Å; W765-I769 WeakPolarHBondContact O-CG1 3.26Å; W765-I769 PolarHBondContact O-N 3.45Å; W765-L781 HydrophobicContact CZ3-CB 4.39Å; W765-L781 HydrophobicContact CZ3-CD2 3.81Å; W765-Y785 HydrophobicContact CB-CD1 4.04Å; W765-Y785 HydrophobicContact CB-CD2 3.86Å; W765-Y785 HydrophobicContact CB-CE1 4.4Å; W765-Y785 HydrophobicContact CB-CE2 4.27Å; W765-Y785 HydrophobicContact CB-CG 3.77Å; W765-Y785 AromaticContact CD1-CD2 3.54Å; W765-Y785 HydrophobicContact CD2-CD2 4.32Å; W765-Y785 HydrophobicContact CD2-CG 4.22Å; W765-Y785 AromaticContact CG-CD2 3.63Å; W765-Y785 HydrophobicContact CG-CD2 3.63Å; W765-Y785 HydrophobicContact CG-CE2 4.35Å; W765-Y785 AromaticContact CG-CG 3.76Å; W765-Y785 HydrophobicContact CG-CG 3.76Å; W765-E788 VanDerWaalsContact CE2-OE2 3.26Å; W765-E788 WeakPolarHBondContact CZ2-OE2 3.48Å; W765-E788 PolarHBondContact NE1-OE2 3.46Å
766	A	79.7	Confident	80.2	Confident	11 Å²	11	46 Å²	46	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-44.2	-176.5	0	0	0	0	0	113.2	H762 R770	H762-A766 WeakPolarHBondContact O-CA 3.17Å; H762-A766 WeakPolarHBondContact O-CB 3.47Å; H762-A766 PolarHBondContact O-N 2.89Å; A766-R770 WeakPolarHBondContact O-CB 3.49Å; A766-R770 PolarHBondContact O-N 3.29Å
767	P	75.3	Confident	79.9	Confident	32 Å²	32	50.1 Å²	50.1	21%	0.208	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-45	170.9	-22.9	34.4	0	0	0	111.5	L623 E763 I769 R770 C771	L623-P767 HydrophobicContact CB-CG 4.46Å; L623-P767 HydrophobicContact CD1-CG 4.38Å; E763-P767 WeakPolarHBondContact O-CD 3.3Å; E763-P767 WeakPolarHBondContact O-CG 3.3Å; P767-I769 PolarHBondContact O-N 3.28Å; P767-R770 WeakPolarHBondContact O-CB 3.41Å; P767-R770 PolarHBondContact O-N 2.9Å; P767-C771 WeakPolarHBondContact O-CB 3.37Å; P767-C771 PolarHBondContact O-N 2.74Å; P767-C771 PolarHBondContact O-SG 2.92Å
768	R	80.6	Confident	79.6	Confident	140 Å²	140	48.9 Å²	48.9	53%	0.528	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-47.7	-179.6	-64.6	179.1	-179.7	175.6	0.1	112.1	W765 C771 A772	W765-R768 WeakPolarHBondContact O-CB 3.44Å; W765-R768 PolarHBondContact O-N 3.31Å; R768-C771 CarbonylContact O-C 3.59Å; R768-C771 WeakPolarHBondContact O-CA 3.28Å; R768-C771 WeakPolarHBondContact O-CB 3.46Å; R768-C771 PolarHBondContact O-N 3.12Å; R768-C771 VanDerWaalsContact O-N 3.11Å; R768-A772 PolarHBondContact O-N 2.87Å; R768-A772 VanDerWaalsContact O-N 3.12Å
769	I	80.2	Confident	79.4	Confident	13 Å²	13	54.4 Å²	54.4	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-42	178.3	-65.2	168.8	0	0	0	111.1	W765 P767 C771 A772 R778 L781 E782 Y785	W765-I769 HydrophobicContact CB-CD1 4.29Å; W765-I769 WeakPolarHBondContact O-CG1 3.26Å; W765-I769 PolarHBondContact O-N 3.45Å; P767-I769 PolarHBondContact O-N 3.28Å; I769-C771 PolarHBondContact O-N 3.45Å; I769-A772 WeakPolarHBondContact O-CB 3.5Å; I769-A772 PolarHBondContact O-N 2.85Å; I769-R778 HydrophobicContact CG2-CG 3.85Å; I769-L781 HydrophobicContact CG1-CB 4.07Å; I769-E782 HydrophobicContact CD1-CG 4.09Å; I769-E782 HydrophobicContact CG1-CG 4.47Å; I769-E782 HydrophobicContact CG2-CG 4.13Å; I769-Y785 HydrophobicContact CD1-CD1 3.73Å; I769-Y785 HydrophobicContact CD1-CG 4.39Å
770	R	73	Confident	79.5	Confident	48 Å²	48	59 Å²	59	18%	0.181	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-29.1	173.8	-176.3	-164.3	-52.4	-84.7	-1.6	112.3	L623 G625 M627 P628 A766 P767	L623-R770 PolarHBondContact O-NH2 3.45Å; G625-R770 PolarHBondContact O-NH1 3.41Å; M627-R770 PolarHBondContact SD-NH1 3.49Å; M627-R770 PolarHBondContact SD-NH2 2.91Å; P628-R770 HydrophobicContact CG-CB 4.31Å; P628-R770 HydrophobicContact CG-CG 3.71Å; A766-R770 WeakPolarHBondContact O-CB 3.49Å; A766-R770 PolarHBondContact O-N 3.29Å; P767-R770 WeakPolarHBondContact O-CB 3.41Å; P767-R770 PolarHBondContact O-N 2.9Å
771	C	69.5	Low	79.6	Confident	23 Å²	23	56.5 Å²	56.5	16%	0.155	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.4	-174.4	-73.6	0	0	0	0	113	P767 R768 I769 R850 R854	P767-C771 WeakPolarHBondContact O-CB 3.37Å; P767-C771 PolarHBondContact O-N 2.74Å; P767-C771 PolarHBondContact O-SG 2.92Å; R768-C771 CarbonylContact O-C 3.59Å; R768-C771 WeakPolarHBondContact O-CA 3.28Å; R768-C771 WeakPolarHBondContact O-CB 3.46Å; R768-C771 PolarHBondContact O-N 3.12Å; R768-C771 VanDerWaalsContact O-N 3.11Å; I769-C771 PolarHBondContact O-N 3.45Å; C771-R850 VanDerWaalsContact CA-CZ 3.43Å; C771-R850 VanDerWaalsContact O-CD 3.31Å; C771-R850 WeakPolarHBondContact O-CD 3.4Å; C771-R850 VanDerWaalsContact O-CZ 3.3Å; C771-R850 PolarHBondContact O-NE 3.02Å; C771-R850 PolarHBondContact O-NH1 3.44Å; C771-R850 PolarHBondContact SG-NH2 2.87Å; C771-R854 PolarHBondContact SG-NH2 3.48Å; C771-R854 VanDerWaalsContact SG-NH2 3.37Å
772	A	74.7	Confident	79.6	Confident	21 Å²	21	57 Å²	57	17%	0.174	29%	0.293	C	S	.	.			trans	-60.7	131.5	177.7	0	0	0	0	0	111.4	R768 I769 R778 L781	R768-A772 PolarHBondContact O-N 2.87Å; R768-A772 VanDerWaalsContact O-N 3.12Å; I769-A772 WeakPolarHBondContact O-CB 3.5Å; I769-A772 PolarHBondContact O-N 2.85Å; A772-R778 HydrophobicContact CB-CB 3.77Å; A772-R778 HydrophobicContact CB-CG 4.25Å; A772-L781 HydrophobicContact CB-CD1 3.93Å
773	P	69.4	Low	79.8	Confident	41 Å²	41	63.7 Å²	63.7	27%	0.266	32%	0.321	S	S	.	.	S	Bend	trans	-76.7	-35.5	-175.4	29.6	-35.1	0	0	0	113.4	E777 A846	P773-E777 VanDerWaalsContact CD-CD 3.49Å; P773-E777 WeakPolarHBondContact CD-OE2 3.44Å; P773-E777 WeakPolarHBondContact CG-OE2 3.3Å; P773-A846 HydrophobicContact CB-CB 3.56Å; P773-A846 HydrophobicContact CG-CB 3.71Å
774	N	74.6	Confident	80.2	Confident	94 Å²	94	63.5 Å²	63.5	50%	0.503	33%	0.326	S	S	.	.	S	Bend	trans	-127.8	156.1	-175.3	-66.1	-12.8	0	0	0	111	V776 E777 R778	N774-V776 VanDerWaalsContact C-N 3.25Å; N774-V776 PolarHBondContact O-N 3.34Å; N774-E777 PolarHBondContact O-N 2.63Å; N774-R778 PolarHBondContact O-N 2.94Å
775	N	78.2	Confident	80.5	Confident	105 Å²	105	60.5 Å²	60.5	56%	0.561	31%	0.308	S	S	*	.	H	α-helix	trans	-60.9	-33	178.8	-73.5	-29.8	0	0	0	112.9	R778 Q779	N775-R778 WeakPolarHBondContact O-CB 3.41Å; N775-R778 PolarHBondContact O-N 3.29Å; N775-Q779 WeakPolarHBondContact O-CG 3.16Å; N775-Q779 PolarHBondContact O-N 2.95Å
776	V	80.7	Confident	80.7	Confident	112 Å²	112	62 Å²	62	68%	0.679	32%	0.316	S	S	*	.	H	α-helix	trans	-66.1	-49	180	-179.9	0	0	0	0	111	N774 R778 Q779 L780	N774-V776 VanDerWaalsContact C-N 3.25Å; N774-V776 PolarHBondContact O-N 3.34Å; V776-R778 VanDerWaalsContact C-N 3.3Å; V776-R778 PolarHBondContact O-N 3.47Å; V776-Q779 WeakPolarHBondContact O-CB 3.47Å; V776-Q779 PolarHBondContact O-N 3.3Å; V776-L780 PolarHBondContact O-N 3.17Å
777	E	79.5	Confident	81.2	Confident	90 Å²	90	64 Å²	64	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-65.5	-36.8	177	-169.1	179.2	159.2	0	0	111.3	P773 N774 Q779 L780 L781	P773-E777 VanDerWaalsContact CD-CD 3.49Å; P773-E777 WeakPolarHBondContact CD-OE2 3.44Å; P773-E777 WeakPolarHBondContact CG-OE2 3.3Å; N774-E777 PolarHBondContact O-N 2.63Å; E777-Q779 VanDerWaalsContact C-N 3.35Å; E777-Q779 PolarHBondContact O-N 2.97Å; E777-L780 PolarHBondContact O-N 3.44Å; E777-L781 HydrophobicContact CG-CD1 4.33Å; E777-L781 WeakPolarHBondContact O-CB 3.44Å; E777-L781 VanDerWaalsContact O-CG 3.3Å; E777-L781 WeakPolarHBondContact O-CG 3.27Å; E777-L781 PolarHBondContact O-N 2.85Å
778	R	81.1	Confident	81.8	Confident	30 Å²	30	66.8 Å²	66.8	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-46.5	172.3	-170	-179.5	174.5	152.9	1.9	111.5	Y630 I769 A772 N774 N775 V776 L780 L781 E782	Y630-R778 PolarHBondContact O-NH2 3.43Å; Y630-R778 PolarHBondContact OH-NE 3.01Å; I769-R778 HydrophobicContact CG2-CG 3.85Å; A772-R778 HydrophobicContact CB-CB 3.77Å; A772-R778 HydrophobicContact CB-CG 4.25Å; N774-R778 PolarHBondContact O-N 2.94Å; N775-R778 WeakPolarHBondContact O-CB 3.41Å; N775-R778 PolarHBondContact O-N 3.29Å; V776-R778 VanDerWaalsContact C-N 3.3Å; V776-R778 PolarHBondContact O-N 3.47Å; R778-L780 VanDerWaalsContact C-N 3.34Å; R778-L780 PolarHBondContact O-N 2.74Å; R778-L781 PolarHBondContact O-N 3.27Å; R778-E782 WeakPolarHBondContact CG-OE1 3.15Å; R778-E782 IonicContact CZ-OE1 3.67Å; R778-E782 IonicContact NE-OE1 2.96Å; R778-E782 PolarHBondContact NE-OE1 3.47Å; R778-E782 WeakPolarHBondContact O-CB 3.45Å; R778-E782 VanDerWaalsContact O-CG 3.25Å; R778-E782 WeakPolarHBondContact O-CG 3.26Å; R778-E782 PolarHBondContact O-N 2.9Å
779	Q	82.6	Confident	82.2	Confident	120 Å²	120	60.3 Å²	60.3	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-63.6	-38.8	176.6	-75.3	174.3	-4.5	0	0	112.1	N775 V776 E777 E782 K783	N775-Q779 WeakPolarHBondContact O-CG 3.16Å; N775-Q779 PolarHBondContact O-N 2.95Å; V776-Q779 WeakPolarHBondContact O-CB 3.47Å; V776-Q779 PolarHBondContact O-N 3.3Å; E777-Q779 VanDerWaalsContact C-N 3.35Å; E777-Q779 PolarHBondContact O-N 2.97Å; Q779-E782 PolarHBondContact O-N 2.9Å; Q779-K783 WeakPolarHBondContact O-CG 3.36Å; Q779-K783 PolarHBondContact O-N 2.96Å
780	L	86.7	Confident	82.5	Confident	110 Å²	110	62 Å²	62	58%	0.576	33%	0.327	S	S	*	.	H	α-helix	trans	-63.9	-46.6	176	-174.8	65.1	0	0	0	111.4	V776 E777 R778 E782 K783 S784	V776-L780 PolarHBondContact O-N 3.17Å; E777-L780 PolarHBondContact O-N 3.44Å; R778-L780 VanDerWaalsContact C-N 3.34Å; R778-L780 PolarHBondContact O-N 2.74Å; L780-E782 VanDerWaalsContact C-N 3.32Å; L780-E782 PolarHBondContact O-N 3.47Å; L780-K783 WeakPolarHBondContact O-CB 3.48Å; L780-K783 PolarHBondContact O-N 2.83Å; L780-S784 PolarHBondContact O-N 3.23Å; L780-S784 PolarHBondContact O-OG 3.24Å
781	L	86.9	Confident	83.2	Confident	36 Å²	36	62.2 Å²	62.2	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-38.9	175.3	-69.2	169.3	0	0	0	111.9	W765 I769 A772 E777 R778 S784 Y785	W765-L781 HydrophobicContact CZ3-CB 4.39Å; W765-L781 HydrophobicContact CZ3-CD2 3.81Å; I769-L781 HydrophobicContact CG1-CB 4.07Å; A772-L781 HydrophobicContact CB-CD1 3.93Å; E777-L781 HydrophobicContact CG-CD1 4.33Å; E777-L781 WeakPolarHBondContact O-CB 3.44Å; E777-L781 VanDerWaalsContact O-CG 3.3Å; E777-L781 WeakPolarHBondContact O-CG 3.27Å; E777-L781 PolarHBondContact O-N 2.85Å; R778-L781 PolarHBondContact O-N 3.27Å; L781-S784 PolarHBondContact O-N 2.91Å; L781-Y785 WeakPolarHBondContact O-CB 3.38Å; L781-Y785 PolarHBondContact O-N 2.99Å
782	E	86.1	Confident	84	Confident	24 Å²	24	63.5 Å²	63.5	11%	0.112	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-40	174.5	-75.3	176.2	-166.6	0	0	111.7	Y630 I632 I769 R778 Q779 L780 Y785 Q786	Y630-E782 WeakPolarHBondContact CE2-OE1 3.32Å; Y630-E782 VanDerWaalsContact CZ-OE1 3.31Å; Y630-E782 PolarHBondContact OH-OE1 2.74Å; Y630-E782 PolarHBondContact OH-OE2 2.95Å; I632-E782 HydrophobicContact CD1-CG 3.92Å; I769-E782 HydrophobicContact CD1-CG 4.09Å; I769-E782 HydrophobicContact CG1-CG 4.47Å; I769-E782 HydrophobicContact CG2-CG 4.13Å; R778-E782 WeakPolarHBondContact CG-OE1 3.15Å; R778-E782 IonicContact CZ-OE1 3.67Å; R778-E782 IonicContact NE-OE1 2.96Å; R778-E782 PolarHBondContact NE-OE1 3.47Å; R778-E782 WeakPolarHBondContact O-CB 3.45Å; R778-E782 VanDerWaalsContact O-CG 3.25Å; R778-E782 WeakPolarHBondContact O-CG 3.26Å; R778-E782 PolarHBondContact O-N 2.9Å; Q779-E782 PolarHBondContact O-N 2.9Å; L780-E782 VanDerWaalsContact C-N 3.32Å; L780-E782 PolarHBondContact O-N 3.47Å; E782-Y785 PolarHBondContact O-N 3.11Å; E782-Q786 WeakPolarHBondContact O-CB 3.27Å; E782-Q786 PolarHBondContact O-N 3.35Å
783	K	87.6	Confident	84.4	Confident	143 Å²	143	62.5 Å²	62.5	62%	0.622	34%	0.337	S	S	*	.	H	α-helix	trans	-64.4	-42.5	173.1	-75.7	-174.4	177.1	-165.8	0	112.1	Q779 L780 Q786 A787	Q779-K783 WeakPolarHBondContact O-CG 3.36Å; Q779-K783 PolarHBondContact O-N 2.96Å; L780-K783 WeakPolarHBondContact O-CB 3.48Å; L780-K783 PolarHBondContact O-N 2.83Å; K783-Q786 PolarHBondContact O-N 3.34Å; K783-A787 PolarHBondContact O-N 3.35Å
784	S	88.9	Confident	84.5	Confident	52 Å²	52	68.2 Å²	68.2	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-43.6	175.3	-59.9	0	0	0	0	112.1	L780 L781 Q786 A787 E788	L780-S784 PolarHBondContact O-N 3.23Å; L780-S784 PolarHBondContact O-OG 3.24Å; L781-S784 PolarHBondContact O-N 2.91Å; S784-Q786 VanDerWaalsContact C-N 3.33Å; S784-Q786 PolarHBondContact O-N 3.35Å; S784-A787 PolarHBondContact O-N 3.09Å; S784-E788 PolarHBondContact O-N 2.92Å
785	Y	90.8	Very high	84.5	Confident	1 Å²	1	67.6 Å²	67.6	0%	0.004	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-41	174.9	178.4	-151	0	0	0	111.4	F634 L761 H762 W765 I769 L781 E782 E788 A789	F634-Y785 AromaticContact CD2-CD1 3.43Å; F634-Y785 HydrophobicContact CD2-CD1 3.43Å; F634-Y785 VanDerWaalsContact CD2-CD1 3.43Å; F634-Y785 AromaticContact CD2-CD2 3.95Å; F634-Y785 HydrophobicContact CD2-CD2 3.95Å; F634-Y785 AromaticContact CD2-CE1 3.28Å; F634-Y785 HydrophobicContact CD2-CE1 3.28Å; F634-Y785 AromaticContact CD2-CE2 3.79Å; F634-Y785 HydrophobicContact CD2-CE2 3.79Å; F634-Y785 AromaticContact CD2-CG 3.76Å; F634-Y785 HydrophobicContact CD2-CG 3.76Å; F634-Y785 AromaticContact CD2-CZ 3.46Å; F634-Y785 VanDerWaalsContact CD2-CZ 3.46Å; F634-Y785 AromaticContact CE2-CD1 3.36Å; F634-Y785 HydrophobicContact CE2-CD1 3.36Å; F634-Y785 HydrophobicContact CE2-CD2 4.41Å; F634-Y785 AromaticContact CE2-CE1 3.64Å; F634-Y785 HydrophobicContact CE2-CE1 3.64Å; F634-Y785 AromaticContact CE2-CG 3.77Å; F634-Y785 HydrophobicContact CE2-CG 3.77Å; F634-Y785 HydrophobicContact CG-CE1 4.43Å; F634-Y785 PolarHBondContact N-OH 2.95Å; L761-Y785 HydrophobicContact CB-CE2 4.27Å; L761-Y785 HydrophobicContact CD2-CD2 3.93Å; L761-Y785 HydrophobicContact CD2-CE2 3.68Å; L761-Y785 HydrophobicContact CG-CD2 3.93Å; L761-Y785 HydrophobicContact CG-CE2 3.6Å; H762-Y785 VanDerWaalsContact CA-OH 3.31Å; H762-Y785 WeakPolarHBondContact CA-OH 3.18Å; H762-Y785 VanDerWaalsContact CB-OH 3.31Å; H762-Y785 WeakPolarHBondContact CB-OH 3.49Å; W765-Y785 HydrophobicContact CB-CD1 4.04Å; W765-Y785 HydrophobicContact CB-CD2 3.86Å; W765-Y785 HydrophobicContact CB-CE1 4.4Å; W765-Y785 HydrophobicContact CB-CE2 4.27Å; W765-Y785 HydrophobicContact CB-CG 3.77Å; W765-Y785 AromaticContact CD1-CD2 3.54Å; W765-Y785 HydrophobicContact CD2-CD2 4.32Å; W765-Y785 HydrophobicContact CD2-CG 4.22Å; W765-Y785 AromaticContact CG-CD2 3.63Å; W765-Y785 HydrophobicContact CG-CD2 3.63Å; W765-Y785 HydrophobicContact CG-CE2 4.35Å; W765-Y785 AromaticContact CG-CG 3.76Å; W765-Y785 HydrophobicContact CG-CG 3.76Å; I769-Y785 HydrophobicContact CD1-CD1 3.73Å; I769-Y785 HydrophobicContact CD1-CG 4.39Å; L781-Y785 WeakPolarHBondContact O-CB 3.38Å; L781-Y785 PolarHBondContact O-N 2.99Å; E782-Y785 PolarHBondContact O-N 3.11Å; Y785-E788 PolarHBondContact O-N 3.46Å; Y785-A789 VanDerWaalsContact O-CB 3.31Å; Y785-A789 WeakPolarHBondContact O-CB 3.32Å; Y785-A789 PolarHBondContact O-N 3.39Å
786	Q	89.8	Confident	84.8	Confident	55 Å²	55	66.3 Å²	66.3	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-46.4	174.8	-176.3	175.7	-38.7	0	0	111.8	F634 E782 K783 S784 A789 I790 L816	F634-Q786 HydrophobicContact CE1-CB 3.98Å; F634-Q786 HydrophobicContact CE1-CG 3.84Å; F634-Q786 HydrophobicContact CE2-CB 4.07Å; F634-Q786 HydrophobicContact CZ-CB 3.58Å; F634-Q786 HydrophobicContact CZ-CG 3.96Å; E782-Q786 WeakPolarHBondContact O-CB 3.27Å; E782-Q786 PolarHBondContact O-N 3.35Å; K783-Q786 PolarHBondContact O-N 3.34Å; S784-Q786 VanDerWaalsContact C-N 3.33Å; S784-Q786 PolarHBondContact O-N 3.35Å; Q786-A789 PolarHBondContact O-N 2.96Å; Q786-I790 HydrophobicContact CG-CD1 3.87Å; Q786-I790 HydrophobicContact CG-CG1 4.48Å; Q786-I790 VanDerWaalsContact O-CG1 3.27Å; Q786-I790 WeakPolarHBondContact O-CG1 3.27Å; Q786-I790 PolarHBondContact O-N 3.45Å; Q786-L816 HydrophobicContact CG-CD1 3.83Å
787	A	88.5	Confident	85.1	Confident	53 Å²	53	65 Å²	65	44%	0.438	35%	0.352	S	S	.	.	H	α-helix	trans	-61.5	-44.3	179.2	0	0	0	0	0	112	K783 S784 I790 A791	K783-A787 PolarHBondContact O-N 3.35Å; S784-A787 PolarHBondContact O-N 3.09Å; A787-I790 PolarHBondContact O-N 2.91Å; A787-A791 PolarHBondContact O-N 3.48Å
788	E	88.4	Confident	85.6	Confident	92 Å²	92	60.9 Å²	60.9	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-36.9	177.5	-165.9	174.9	172.9	0	0	112	L761 W765 S784 Y785 A791 L792	L761-E788 HydrophobicContact CD1-CG 3.83Å; L761-E788 WeakPolarHBondContact CD1-OE1 3.42Å; L761-E788 HydrophobicContact CD2-CB 4.21Å; L761-E788 HydrophobicContact CD2-CG 4.07Å; W765-E788 VanDerWaalsContact CE2-OE2 3.26Å; W765-E788 WeakPolarHBondContact CZ2-OE2 3.48Å; W765-E788 PolarHBondContact NE1-OE2 3.46Å; S784-E788 PolarHBondContact O-N 2.92Å; Y785-E788 PolarHBondContact O-N 3.46Å; E788-A791 PolarHBondContact O-N 3.12Å; E788-L792 WeakPolarHBondContact O-CB 3.43Å; E788-L792 PolarHBondContact O-N 2.99Å
789	A	88.8	Confident	86.1	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-69.8	-34.3	176.1	0	0	0	0	0	113.2	F634 L761 Y785 Q786 T793	F634-A789 HydrophobicContact CB-CB 3.37Å; F634-A789 HydrophobicContact CD2-CB 4.1Å; F634-A789 HydrophobicContact CG-CB 3.82Å; L761-A789 HydrophobicContact CD2-CB 3.97Å; Y785-A789 VanDerWaalsContact O-CB 3.31Å; Y785-A789 WeakPolarHBondContact O-CB 3.32Å; Y785-A789 PolarHBondContact O-N 3.39Å; Q786-A789 PolarHBondContact O-N 2.96Å; A789-T793 PolarHBondContact O-N 3.34Å; A789-T793 PolarHBondContact O-OG1 3.36Å
790	I	87.5	Confident	86.5	Confident	48 Å²	48	54.8 Å²	54.8	25%	0.246	31%	0.305	C	S	.	.	H	α-helix	trans	-67.4	-43.2	173.4	-69.3	167.9	0	0	0	110.2	Q786 A787 L792 T793 E794 L816	Q786-I790 HydrophobicContact CG-CD1 3.87Å; Q786-I790 HydrophobicContact CG-CG1 4.48Å; Q786-I790 VanDerWaalsContact O-CG1 3.27Å; Q786-I790 WeakPolarHBondContact O-CG1 3.27Å; Q786-I790 PolarHBondContact O-N 3.45Å; A787-I790 PolarHBondContact O-N 2.91Å; I790-L792 VanDerWaalsContact C-N 3.33Å; I790-L792 PolarHBondContact O-N 2.88Å; I790-T793 CarbonylContact O-C 3.58Å; I790-T793 PolarHBondContact O-N 3.46Å; I790-T793 PolarHBondContact O-OG1 2.97Å; I790-E794 PolarHBondContact O-N 3.37Å; I790-L816 HydrophobicContact CD1-CB 4.47Å; I790-L816 HydrophobicContact CD1-CD1 4.12Å; I790-L816 HydrophobicContact CG1-CD1 4.04Å
791	A	87.8	Confident	86.8	Confident	54 Å²	54	49.6 Å²	49.6	45%	0.446	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-39.2	175.7	0	0	0	0	0	112	A787 E788 T793 E794	A787-A791 PolarHBondContact O-N 3.48Å; E788-A791 PolarHBondContact O-N 3.12Å; A791-T793 PolarHBondContact O-N 3.25Å; A791-E794 VanDerWaalsContact O-CG 3.25Å; A791-E794 WeakPolarHBondContact O-CG 3.47Å; A791-E794 PolarHBondContact O-N 3.45Å
792	L	85.6	Confident	86.8	Confident	49 Å²	49	49.7 Å²	49.7	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-66.9	-26.1	177	-174.7	150.2	0	0	0	113.3	T754 K757 A758 L761 E788 I790	T754-L792 HydrophobicContact CG2-CD2 3.78Å; T754-L792 WeakPolarHBondContact O-CD2 3.28Å; K757-L792 HydrophobicContact CB-CD1 3.64Å; K757-L792 HydrophobicContact CB-CD2 4.23Å; K757-L792 HydrophobicContact CB-CG 4.22Å; A758-L792 HydrophobicContact CB-CD2 3.95Å; L761-L792 HydrophobicContact CD2-CD1 4.33Å; E788-L792 WeakPolarHBondContact O-CB 3.43Å; E788-L792 PolarHBondContact O-N 2.99Å; I790-L792 VanDerWaalsContact C-N 3.33Å; I790-L792 PolarHBondContact O-N 2.88Å
793	T	82.3	Confident	86.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	25	-177.8	50.9	0	0	0	0	112.8	T754 A789 I790 A791 G795 Q796 C798 K818	T754-T793 HydrophobicContact CG2-CG2 4.03Å; A789-T793 PolarHBondContact O-N 3.34Å; A789-T793 PolarHBondContact O-OG1 3.36Å; I790-T793 CarbonylContact O-C 3.58Å; I790-T793 PolarHBondContact O-N 3.46Å; I790-T793 PolarHBondContact O-OG1 2.97Å; A791-T793 PolarHBondContact O-N 3.25Å; T793-G795 PolarHBondContact O-N 2.96Å; T793-Q796 PolarHBondContact O-N 3.07Å; T793-C798 HydrophobicContact CG2-CB 4.47Å; T793-C798 WeakPolarHBondContact OG1-CB 3.42Å; T793-K818 PolarHBondContact O-NZ 2.94Å
794	E	72.6	Confident	86.7	Confident	160 Å²	160	43 Å²	43	75%	0.748	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.1	125.9	172.4	-83.9	173.6	-159.8	0	0	111	I790 A791 Q796	I790-E794 PolarHBondContact O-N 3.37Å; A791-E794 VanDerWaalsContact O-CG 3.25Å; A791-E794 WeakPolarHBondContact O-CG 3.47Å; A791-E794 PolarHBondContact O-N 3.45Å; E794-Q796 PolarHBondContact O-N 3.39Å
795	G	75	Confident	86	Confident	81 Å²	81	41.1 Å²	41.1	84%	0.835	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	-27.3	-171.8	0	0	0	0	0	118.1	T793 K818	T793-G795 PolarHBondContact O-N 2.96Å; G795-K818 VanDerWaalsContact C-NZ 3.27Å
796	Q	83.2	Confident	85.1	Confident	78 Å²	78	46.5 Å²	46.5	36%	0.364	26%	0.264	S	S	.	.	S	Bend	trans	-108	157.5	-177.8	-62.7	-173.7	-12.2	0	0	114.5	T793 E794 K818	T793-Q796 PolarHBondContact O-N 3.07Å; E794-Q796 PolarHBondContact O-N 3.39Å; Q796-K818 WeakPolarHBondContact O-CE 3.06Å; Q796-K818 PolarHBondContact O-NZ 3.27Å
797	K	86.7	Confident	84.2	Confident	85 Å²	85	48.9 Å²	48.9	37%	0.37	28%	0.275	S	S	.	.			trans	-69.9	132.7	176.8	-63.8	-176.7	-172.3	-173.7	0	110.5	E459 F799 L815	E459-K797 HydrophobicContact CG-CD 4.47Å; E459-K797 IonicContact OE1-NZ 3.03Å; E459-K797 PolarHBondContact OE1-NZ 2.93Å; E459-K797 IonicContact OE2-NZ 3.94Å; E459-K797 PolarHBondContact OE2-NZ 3.48Å; K797-F799 HydrophobicContact CB-CE2 4.05Å; K797-L815 HydrophobicContact CB-CD1 3.95Å; K797-L815 HydrophobicContact CG-CD1 4.48Å
798	C	90	Very high	83.7	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.4	179.6	-168.3	0	0	0	0	110.6	T793 L816	T793-C798 HydrophobicContact CG2-CB 4.47Å; T793-C798 WeakPolarHBondContact OG1-CB 3.42Å; C798-L816 HydrophobicContact CB-CD1 4.39Å; C798-L816 PolarHBondContact O-N 3.37Å
799	F	91.8	Very high	83.4	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	178.4	-66	-94.8	0	0	0	110.1	L455 V458 F634 G635 Y640 K797 I801 E814 L815	L455-F799 HydrophobicContact CD2-CE2 4.23Å; L455-F799 HydrophobicContact CD2-CZ 3.78Å; V458-F799 HydrophobicContact CB-CE1 4.49Å; V458-F799 HydrophobicContact CG1-CE1 4.05Å; F634-F799 WeakPolarHBondContact CA-O 3.38Å; G635-F799 PolarHBondContact N-O 3.26Å; G635-F799 PolarHBondContact O-N 3.15Å; Y640-F799 HydrophobicContact CD1-CE1 4.15Å; Y640-F799 HydrophobicContact CD1-CZ 4.26Å; Y640-F799 AromaticContact CD2-CD1 3.86Å; Y640-F799 HydrophobicContact CD2-CD1 3.86Å; Y640-F799 AromaticContact CD2-CE1 3.99Å; Y640-F799 HydrophobicContact CD2-CE1 3.99Å; Y640-F799 AromaticContact CG-CD1 3.89Å; Y640-F799 HydrophobicContact CG-CD1 3.89Å; Y640-F799 AromaticContact CG-CE1 3.8Å; Y640-F799 HydrophobicContact CG-CE1 3.8Å; Y640-F799 HydrophobicContact CG-CG 4.31Å; Y640-F799 HydrophobicContact CG-CZ 4.17Å; K797-F799 HydrophobicContact CB-CE2 4.05Å; F799-I801 HydrophobicContact CB-CG1 4.26Å; F799-E814 CarbonylContact C-O 3.54Å; F799-E814 WeakPolarHBondContact CA-O 3.34Å; F799-L815 HydrophobicContact CD1-CD1 4.34Å; F799-L815 HydrophobicContact CE1-CB 4.41Å; F799-L815 HydrophobicContact CE1-CD1 3.99Å; F799-L815 HydrophobicContact CE2-CD1 4.32Å; F799-L815 HydrophobicContact CZ-CD1 3.98Å
800	K	91.9	Very high	83.3	Confident	23 Å²	23	52.1 Å²	52.1	10%	0.1	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.2	165.9	178.3	175.6	164.2	-159	0	108.9	I632 F634 Q802 F813 E814 L816	I632-K800 HydrophobicContact CG2-CG 4.12Å; F634-K800 HydrophobicContact CD1-CB 3.71Å; F634-K800 HydrophobicContact CD1-CG 4.03Å; F634-K800 HydrophobicContact CE1-CB 3.43Å; F634-K800 VanDerWaalsContact CE1-CB 3.43Å; F634-K800 HydrophobicContact CE1-CD 3.65Å; F634-K800 HydrophobicContact CE1-CG 3.38Å; F634-K800 HydrophobicContact CZ-CB 4.46Å; F634-K800 HydrophobicContact CZ-CD 4.04Å; F634-K800 HydrophobicContact CZ-CG 3.94Å; K800-Q802 VanDerWaalsContact CE-NE2 3.29Å; K800-Q802 HydrophobicContact CG-CG 4.27Å; K800-F813 WeakPolarHBondContact O-CA 3.47Å; K800-E814 HydrophobicContact CB-CB 4.14Å; K800-E814 WeakPolarHBondContact CD-OE2 3.31Å; K800-E814 WeakPolarHBondContact CE-OE2 3.41Å; K800-E814 PolarHBondContact N-O 3.47Å; K800-E814 IonicContact NZ-OE2 2.94Å; K800-E814 PolarHBondContact NZ-OE2 3.26Å; K800-E814 PolarHBondContact O-N 2.9Å; K800-L816 HydrophobicContact CB-CD1 4.36Å; K800-L816 HydrophobicContact CB-CD2 4.1Å; K800-L816 HydrophobicContact CB-CG 4.28Å; K800-L816 HydrophobicContact CD-CD2 4.34Å
801	I	91.8	Very high	83.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.5	-176.6	-47.9	-176.2	0	0	0	108.1	I632 L633 W639 L643 F799 F803 V811 T812 F813	I632-I801 CarbonylContact C-O 3.57Å; I632-I801 WeakPolarHBondContact CA-O 3.36Å; L633-I801 HydrophobicContact CB-CB 4.38Å; L633-I801 PolarHBondContact N-O 3.14Å; L633-I801 WeakPolarHBondContact O-CA 3.5Å; L633-I801 WeakPolarHBondContact O-CB 3.32Å; L633-I801 PolarHBondContact O-N 3.43Å; W639-I801 HydrophobicContact CB-CD1 4.01Å; L643-I801 HydrophobicContact CD1-CD1 3.8Å; L643-I801 HydrophobicContact CD1-CG2 3.88Å; F799-I801 HydrophobicContact CB-CG1 4.26Å; I801-F803 HydrophobicContact CB-CE2 4.43Å; I801-F803 HydrophobicContact CG2-CD2 4.47Å; I801-F803 HydrophobicContact CG2-CE1 4.45Å; I801-F803 HydrophobicContact CG2-CE2 3.81Å; I801-F803 HydrophobicContact CG2-CZ 3.8Å; I801-V811 HydrophobicContact CG2-CG1 3.67Å; I801-T812 CarbonylContact C-O 3.59Å; I801-T812 WeakPolarHBondContact CA-O 3.38Å; I801-F813 HydrophobicContact CB-CD1 4.39Å; I801-F813 HydrophobicContact CD1-CD1 4.24Å; I801-F813 HydrophobicContact CD1-CE1 4.16Å; I801-F813 HydrophobicContact CG1-CD1 3.95Å; I801-F813 HydrophobicContact CG1-CE1 4.26Å; I801-F813 HydrophobicContact CG2-CD1 3.93Å; I801-F813 HydrophobicContact CG2-CE1 3.69Å; I801-F813 HydrophobicContact CG2-CZ 4.49Å
802	Q	88.3	Confident	83.6	Confident	39 Å²	39	47.6 Å²	47.6	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.2	178.3	-40.4	-180	-56.6	0	0	110.7	S631 I632 K800 V811 T812	S631-Q802 CarbonylContact O-C 3.49Å; S631-Q802 VanDerWaalsContact O-CA 3.24Å; S631-Q802 WeakPolarHBondContact O-CA 3.13Å; I632-Q802 HydrophobicContact CD1-CG 4.48Å; I632-Q802 HydrophobicContact CG1-CG 4.12Å; K800-Q802 VanDerWaalsContact CE-NE2 3.29Å; K800-Q802 HydrophobicContact CG-CG 4.27Å; Q802-V811 CarbonylContact O-C 3.59Å; Q802-V811 VanDerWaalsContact O-CA 3.31Å; Q802-V811 WeakPolarHBondContact O-CA 3.42Å; Q802-T812 VanDerWaalsContact CB-OG1 3.27Å; Q802-T812 WeakPolarHBondContact CB-OG1 3.36Å; Q802-T812 PolarHBondContact N-O 2.92Å; Q802-T812 PolarHBondContact O-N 2.94Å; Q802-T812 PolarHBondContact OE1-OG1 2.9Å
803	F	86.8	Confident	83.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.1	175.9	-58	-94.4	0	0	0	109	L529 F530 Y630 S631 L633 L643 I801 P805 V811	L529-F803 HydrophobicContact CB-CD1 4.09Å; L529-F803 HydrophobicContact CB-CE1 4.39Å; L529-F803 HydrophobicContact CB-CG 4.16Å; L529-F803 HydrophobicContact CD1-CD2 4.29Å; L529-F803 HydrophobicContact CD1-CE1 4.14Å; L529-F803 HydrophobicContact CD1-CE2 3.85Å; L529-F803 HydrophobicContact CD1-CZ 3.76Å; F530-F803 HydrophobicContact CE1-CD1 4.07Å; F530-F803 HydrophobicContact CE2-CD1 4.09Å; F530-F803 HydrophobicContact CE2-CE1 4.01Å; F530-F803 AromaticContact CZ-CD1 3.72Å; F530-F803 HydrophobicContact CZ-CD1 3.72Å; F530-F803 AromaticContact CZ-CE1 3.76Å; F530-F803 HydrophobicContact CZ-CE1 3.76Å; Y630-F803 CarbonylContact C-O 3.32Å; Y630-F803 WeakPolarHBondContact CA-O 3.25Å; Y630-F803 VanDerWaalsContact CB-O 3.29Å; Y630-F803 WeakPolarHBondContact CB-O 3.44Å; S631-F803 PolarHBondContact N-O 3.15Å; S631-F803 PolarHBondContact O-N 3.34Å; L633-F803 HydrophobicContact CB-CE2 3.91Å; L633-F803 HydrophobicContact CD2-CE2 4.39Å; L643-F803 HydrophobicContact CD1-CE1 4.18Å; L643-F803 HydrophobicContact CD1-CZ 3.7Å; L643-F803 HydrophobicContact CD2-CE1 4.31Å; L643-F803 HydrophobicContact CD2-CZ 4.44Å; I801-F803 HydrophobicContact CB-CE2 4.43Å; I801-F803 HydrophobicContact CG2-CD2 4.47Å; I801-F803 HydrophobicContact CG2-CE1 4.45Å; I801-F803 HydrophobicContact CG2-CE2 3.81Å; I801-F803 HydrophobicContact CG2-CZ 3.8Å; F803-P805 VanDerWaalsContact C-CD 3.43Å; F803-P805 WeakPolarHBondContact O-CD 3.25Å; F803-V811 HydrophobicContact CD1-CG1 4.24Å; F803-V811 HydrophobicContact CD1-CG2 3.68Å; F803-V811 HydrophobicContact CE1-CG1 4.26Å; F803-V811 HydrophobicContact CE1-CG2 4.15Å
804	L	84.4	Confident	84.3	Confident	23 Å²	23	45.8 Å²	45.8	12%	0.12	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	75.1	179.9	-68.5	153.1	0	0	0	109.3	Y630 L806 E807 K810 T812	Y630-L804 HydrophobicContact CG-CD2 4.45Å; L804-L806 VanDerWaalsContact C-N 3.25Å; L804-L806 PolarHBondContact O-N 3.17Å; L804-E807 HydrophobicContact CB-CB 4.12Å; L804-E807 HydrophobicContact CB-CG 4.46Å; L804-E807 PolarHBondContact O-N 2.8Å; L804-E807 VanDerWaalsContact O-N 3.16Å; L804-K810 WeakPolarHBondContact CA-O 3.38Å; L804-K810 HydrophobicContact CB-CB 4.29Å; L804-K810 WeakPolarHBondContact CB-O 3.3Å; L804-K810 HydrophobicContact CD1-CB 4.49Å; L804-K810 PolarHBondContact N-O 3.05Å; L804-K810 PolarHBondContact O-N 3.36Å; L804-T812 HydrophobicContact CD1-CG2 3.95Å
805	P	74.2	Confident	85.2	Confident	14 Å²	14	38.9 Å²	38.9	9%	0.091	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29	-173.4	25.9	-35.6	0	0	0	113.2	N531 F803	N531-P805 HydrophobicContact CB-CB 3.96Å; N531-P805 WeakPolarHBondContact ND2-CB 3.27Å; N531-P805 WeakPolarHBondContact ND2-CG 3.44Å; F803-P805 VanDerWaalsContact C-CD 3.43Å; F803-P805 WeakPolarHBondContact O-CD 3.25Å
806	L	71.3	Confident	85.7	Confident	114 Å²	114	35.8 Å²	35.8	60%	0.597	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.6	179.6	-62.3	-179.8	0	0	0	113.8	L804	L804-L806 VanDerWaalsContact C-N 3.25Å; L804-L806 PolarHBondContact O-N 3.17Å
807	E	72.3	Confident	85.2	Confident	105 Å²	105	35 Å²	35	49%	0.491	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	64	180	-61	-176.4	-173.6	0	0	109.7	L804 R809 K810	L804-E807 HydrophobicContact CB-CB 4.12Å; L804-E807 HydrophobicContact CB-CG 4.46Å; L804-E807 PolarHBondContact O-N 2.8Å; L804-E807 VanDerWaalsContact O-N 3.16Å; E807-R809 VanDerWaalsContact C-N 3.27Å; E807-R809 PolarHBondContact O-N 3.49Å; E807-K810 HydrophobicContact CB-CD 4.47Å; E807-K810 WeakPolarHBondContact O-CB 3.34Å; E807-K810 WeakPolarHBondContact O-CD 3.36Å; E807-K810 WeakPolarHBondContact O-CG 3.35Å; E807-K810 PolarHBondContact O-N 2.97Å
808	N	77	Confident	84.1	Confident	105 Å²	105	35.7 Å²	35.7	56%	0.561	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	35.7	-179.5	-57.2	-14	0	0	0	114	Q485 K810	Q485-N808 WeakPolarHBondContact CG-O 3.04Å; N808-K810 VanDerWaalsContact C-N 3.28Å; N808-K810 PolarHBondContact O-N 3.25Å
809	R	81.7	Confident	82.1	Confident	41 Å²	41	39 Å²	39	16%	0.155	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	42.6	-177.9	-57.2	-179.5	-176	162.8	4.6	113.1	F486 P487 S488 T490 F530 L532 E807	F486-R809 HydrophobicContact CB-CB 4.01Å; F486-R809 PolarHBondContact N-O 2.82Å; F486-R809 VanDerWaalsContact N-O 3.1Å; P487-R809 PolarHBondContact O-NH1 2.96Å; S488-R809 PolarHBondContact O-NH1 3.4Å; T490-R809 PolarHBondContact OG1-NH2 3.26Å; F530-R809 HydrophobicContact CD1-CB 4.28Å; L532-R809 VanDerWaalsContact CD2-NH2 3.27Å; E807-R809 VanDerWaalsContact C-N 3.27Å; E807-R809 PolarHBondContact O-N 3.49Å
810	K	87.2	Confident	79.3	Confident	69 Å²	69	42.6 Å²	42.6	30%	0.3	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	143.4	174.4	-76.2	172.5	-174.2	-176.5	0	111.1	V484 Q485 L804 E807 N808	V484-K810 CarbonylContact O-C 3.6Å; V484-K810 WeakPolarHBondContact O-CA 3.48Å; Q485-K810 HydrophobicContact CB-CG 4.36Å; Q485-K810 HydrophobicContact CG-CG 4.36Å; L804-K810 WeakPolarHBondContact CA-O 3.38Å; L804-K810 HydrophobicContact CB-CB 4.29Å; L804-K810 WeakPolarHBondContact CB-O 3.3Å; L804-K810 HydrophobicContact CD1-CB 4.49Å; L804-K810 PolarHBondContact N-O 3.05Å; L804-K810 PolarHBondContact O-N 3.36Å; E807-K810 HydrophobicContact CB-CD 4.47Å; E807-K810 WeakPolarHBondContact O-CB 3.34Å; E807-K810 WeakPolarHBondContact O-CD 3.36Å; E807-K810 WeakPolarHBondContact O-CG 3.35Å; E807-K810 PolarHBondContact O-N 2.97Å; N808-K810 VanDerWaalsContact C-N 3.28Å; N808-K810 PolarHBondContact O-N 3.25Å
811	V	89.9	Confident	76.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.7	170.1	-177.7	0	0	0	0	108.4	V484 F486 F530 I801 Q802 F803 F813	V484-V811 PolarHBondContact N-O 3.46Å; V484-V811 PolarHBondContact O-N 3.49Å; F486-V811 HydrophobicContact CD2-CB 4.38Å; F486-V811 HydrophobicContact CD2-CG2 3.68Å; F486-V811 HydrophobicContact CE2-CB 3.95Å; F486-V811 HydrophobicContact CE2-CG2 3.41Å; F486-V811 VanDerWaalsContact CE2-CG2 3.41Å; F486-V811 HydrophobicContact CZ-CG2 4.4Å; F530-V811 HydrophobicContact CE1-CG2 3.44Å; F530-V811 VanDerWaalsContact CE1-CG2 3.44Å; F530-V811 HydrophobicContact CZ-CG2 3.81Å; I801-V811 HydrophobicContact CG2-CG1 3.67Å; Q802-V811 CarbonylContact O-C 3.59Å; Q802-V811 VanDerWaalsContact O-CA 3.31Å; Q802-V811 WeakPolarHBondContact O-CA 3.42Å; F803-V811 HydrophobicContact CD1-CG1 4.24Å; F803-V811 HydrophobicContact CD1-CG2 3.68Å; F803-V811 HydrophobicContact CE1-CG1 4.26Å; F803-V811 HydrophobicContact CE1-CG2 4.15Å; V811-F813 HydrophobicContact CB-CE2 4.28Å; V811-F813 HydrophobicContact CB-CZ 4.38Å; V811-F813 HydrophobicContact CG1-CD2 4.49Å; V811-F813 HydrophobicContact CG1-CE1 4.06Å; V811-F813 HydrophobicContact CG1-CE2 3.81Å; V811-F813 HydrophobicContact CG1-CZ 3.59Å
812	T	90.9	Very high	73.8	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142	177.9	67.7	0	0	0	0	110.7	P480 V482 I483 I801 Q802 L804	P480-T812 HydrophobicContact CB-CG2 3.93Å; P480-T812 HydrophobicContact CG-CG2 4.37Å; V482-T812 WeakPolarHBondContact O-CA 3.49Å; I483-T812 HydrophobicContact CG1-CG2 4.13Å; I483-T812 HydrophobicContact CG2-CG2 4.31Å; I801-T812 CarbonylContact C-O 3.59Å; I801-T812 WeakPolarHBondContact CA-O 3.38Å; Q802-T812 VanDerWaalsContact CB-OG1 3.27Å; Q802-T812 WeakPolarHBondContact CB-OG1 3.36Å; Q802-T812 PolarHBondContact N-O 2.92Å; Q802-T812 PolarHBondContact O-N 2.94Å; Q802-T812 PolarHBondContact OE1-OG1 2.9Å; L804-T812 HydrophobicContact CD1-CG2 3.95Å
813	F	92.9	Very high	71.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.7	179	-57.2	-85.6	0	0	0	109.1	H481 V482 V484 Y640 L643 R644 K800 I801 V811	H481-F813 WeakPolarHBondContact CA-O 3.44Å; H481-F813 WeakPolarHBondContact CB-O 3.34Å; H481-F813 PolarHBondContact N-O 3.21Å; V482-F813 HydrophobicContact CB-CB 4.34Å; V482-F813 HydrophobicContact CB-CD2 4.34Å; V482-F813 HydrophobicContact CG1-CD2 4.35Å; V482-F813 PolarHBondContact N-O 2.84Å; V482-F813 VanDerWaalsContact N-O 3.08Å; V482-F813 PolarHBondContact O-N 3.41Å; V484-F813 HydrophobicContact CB-CE2 4.23Å; V484-F813 HydrophobicContact CG2-CD2 3.95Å; V484-F813 HydrophobicContact CG2-CE2 3.55Å; Y640-F813 HydrophobicContact CD2-CB 3.92Å; Y640-F813 AromaticContact CD2-CD1 3.41Å; Y640-F813 HydrophobicContact CD2-CD1 3.41Å; Y640-F813 VanDerWaalsContact CD2-CD1 3.41Å; Y640-F813 AromaticContact CD2-CE1 3.99Å; Y640-F813 HydrophobicContact CD2-CE1 3.99Å; Y640-F813 AromaticContact CD2-CG 3.71Å; Y640-F813 HydrophobicContact CD2-CG 3.71Å; Y640-F813 HydrophobicContact CE2-CB 3.81Å; Y640-F813 AromaticContact CE2-CD1 3.87Å; Y640-F813 HydrophobicContact CE2-CD1 3.87Å; Y640-F813 HydrophobicContact CE2-CD2 4.18Å; Y640-F813 HydrophobicContact CE2-CE1 4.46Å; Y640-F813 AromaticContact CE2-CG 3.68Å; Y640-F813 HydrophobicContact CE2-CG 3.68Å; L643-F813 HydrophobicContact CB-CE1 4.03Å; L643-F813 HydrophobicContact CB-CZ 3.96Å; L643-F813 HydrophobicContact CD1-CE1 4.31Å; R644-F813 HydrophobicContact CG-CE2 4.22Å; R644-F813 HydrophobicContact CG-CZ 4.17Å; K800-F813 WeakPolarHBondContact O-CA 3.47Å; I801-F813 HydrophobicContact CB-CD1 4.39Å; I801-F813 HydrophobicContact CD1-CD1 4.24Å; I801-F813 HydrophobicContact CD1-CE1 4.16Å; I801-F813 HydrophobicContact CG1-CD1 3.95Å; I801-F813 HydrophobicContact CG1-CE1 4.26Å; I801-F813 HydrophobicContact CG2-CD1 3.93Å; I801-F813 HydrophobicContact CG2-CE1 3.69Å; I801-F813 HydrophobicContact CG2-CZ 4.49Å; V811-F813 HydrophobicContact CB-CE2 4.28Å; V811-F813 HydrophobicContact CB-CZ 4.38Å; V811-F813 HydrophobicContact CG1-CD2 4.49Å; V811-F813 HydrophobicContact CG1-CE1 4.06Å; V811-F813 HydrophobicContact CG1-CE2 3.81Å; V811-F813 HydrophobicContact CG1-CZ 3.59Å
814	E	90.9	Very high	68.4	Low	12 Å²	12	63.6 Å²	63.6	6%	0.056	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.4	176.2	173.8	177.2	-163.1	0	0	109.5	S478 G479 H481 F799 K800 L816	S478-E814 WeakPolarHBondContact CA-OE1 3.39Å; S478-E814 PolarHBondContact OG-OE1 2.84Å; G479-E814 PolarHBondContact N-OE1 3.19Å; G479-E814 WeakPolarHBondContact O-CG 3.31Å; H481-E814 WeakPolarHBondContact ND1-CA 2.98Å; F799-E814 CarbonylContact C-O 3.54Å; F799-E814 WeakPolarHBondContact CA-O 3.34Å; K800-E814 HydrophobicContact CB-CB 4.14Å; K800-E814 WeakPolarHBondContact CD-OE2 3.31Å; K800-E814 WeakPolarHBondContact CE-OE2 3.41Å; K800-E814 PolarHBondContact N-O 3.47Å; K800-E814 IonicContact NZ-OE2 2.94Å; K800-E814 PolarHBondContact NZ-OE2 3.26Å; K800-E814 PolarHBondContact O-N 2.9Å; E814-L816 HydrophobicContact CG-CD2 4.31Å
815	L	90.6	Very high	65.9	Low	15 Å²	15	68.2 Å²	68.2	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.5	172	179.6	62.1	0	0	0	108.5	V458 E459 F462 H481 K797 F799	V458-L815 HydrophobicContact CG1-CB 4.08Å; E459-L815 HydrophobicContact CG-CD2 4.28Å; F462-L815 HydrophobicContact CB-CD2 3.93Å; F462-L815 HydrophobicContact CD1-CD2 4.3Å; F462-L815 HydrophobicContact CD2-CB 4.1Å; F462-L815 HydrophobicContact CD2-CD2 4.19Å; F462-L815 HydrophobicContact CD2-CG 4.21Å; F462-L815 HydrophobicContact CG-CD2 3.88Å; F462-L815 HydrophobicContact CG-CG 4.4Å; H481-L815 PolarHBondContact ND1-N 3.06Å; K797-L815 HydrophobicContact CB-CD1 3.95Å; K797-L815 HydrophobicContact CG-CD1 4.48Å; F799-L815 HydrophobicContact CD1-CD1 4.34Å; F799-L815 HydrophobicContact CE1-CB 4.41Å; F799-L815 HydrophobicContact CE1-CD1 3.99Å; F799-L815 HydrophobicContact CE2-CD1 4.32Å; F799-L815 HydrophobicContact CZ-CD1 3.98Å
816	L	85.8	Confident	63.6	Low	16 Å²	16	77.9 Å²	77.9	8%	0.084	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-92.1	132.6	-178.6	-58.3	176.3	0	0	0	110.6	F634 Q786 I790 C798 K800 E814	F634-L816 HydrophobicContact CD1-CD1 3.81Å; F634-L816 HydrophobicContact CE1-CD1 3.82Å; Q786-L816 HydrophobicContact CG-CD1 3.83Å; I790-L816 HydrophobicContact CD1-CB 4.47Å; I790-L816 HydrophobicContact CD1-CD1 4.12Å; I790-L816 HydrophobicContact CG1-CD1 4.04Å; C798-L816 HydrophobicContact CB-CD1 4.39Å; C798-L816 PolarHBondContact O-N 3.37Å; K800-L816 HydrophobicContact CB-CD1 4.36Å; K800-L816 HydrophobicContact CB-CD2 4.1Å; K800-L816 HydrophobicContact CB-CG 4.28Å; K800-L816 HydrophobicContact CD-CD2 4.34Å; E814-L816 HydrophobicContact CG-CD2 4.31Å
817	D	72.8	Confident	61.5	Low	61 Å²	61	81.7 Å²	81.7	33%	0.326	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-76	140.9	175.9	-156.8	-18	0	0	0	110.9	F462 A819	F462-D817 HydrophobicContact CE2-CB 4.19Å; F462-D817 HydrophobicContact CZ-CB 3.71Å; D817-A819 VanDerWaalsContact C-N 3.31Å; D817-A819 PolarHBondContact OD1-N 2.76Å
818	K	64.9	Low	59.2	Low	99 Å²	99	82.9 Å²	82.9	43%	0.43	45%	0.448	S	S	.	.			trans	-86.5	-0.5	174.8	-66.8	-167.1	174.8	-162.1	0	113	T793 G795 Q796 S820	T793-K818 PolarHBondContact O-NZ 2.94Å; G795-K818 VanDerWaalsContact C-NZ 3.27Å; Q796-K818 WeakPolarHBondContact O-CE 3.06Å; Q796-K818 PolarHBondContact O-NZ 3.27Å; K818-S820 PolarHBondContact O-N 3.17Å
819	A	46.5	Very low	56.8	Low	73 Å²	73	86.5 Å²	86.5	60%	0.603	46%	0.461	S	S	*	.			trans	-90.9	86.8	-173.3	0	0	0	0	0	113.7	D817	D817-A819 VanDerWaalsContact C-N 3.31Å; D817-A819 PolarHBondContact OD1-N 2.76Å
820	S	32.8	Very low	54.1	Low	76 Å²	76	93.6 Å²	93.6	53%	0.531	50%	0.496	S	S	.	.			trans	170.6	105.9	138.1	170	0	0	0	0	110.1	K818 N822	K818-S820 PolarHBondContact O-N 3.17Å; S820-N822 PolarHBondContact O-N 3.25Å; S820-N822 VanDerWaalsContact O-N 3.08Å; S820-N822 PolarHBondContact OG-N 2.83Å
821	P	38	Very low	51.3	Low	121 Å²	121	95 Å²	95	79%	0.786	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-65.1	-0.3	169.2	-17.8	30.7	0	0	0	114.4
822	N	30.4	Very low	48.3	Very low	143 Å²	143	102.3 Å²	102.3	77%	0.765	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-93	2.2	-171	-83	-18.7	0	0	0	115.4	S820	S820-N822 PolarHBondContact O-N 3.25Å; S820-N822 VanDerWaalsContact O-N 3.08Å; S820-N822 PolarHBondContact OG-N 2.83Å
823	E	34.5	Very low	45.3	Very low	173 Å²	173	106.7 Å²	106.7	81%	0.808	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-113.3	29.4	167.4	-83.6	-166.6	152.7	0	0	112.6
824	A	28.5	Very low	42.2	Very low	67 Å²	67	114.6 Å²	114.6	55%	0.554	63%	0.632	S	S	*	*	S	Bend	trans	-52.5	134.1	154.1	0	0	0	0	0	107.1	R826	A824-R826 VanDerWaalsContact C-N 3.26Å; A824-R826 PolarHBondContact O-N 2.91Å
825	P	30	Very low	39.3	Very low	120 Å²	120	119.7 Å²	119.7	78%	0.779	66%	0.663	S	S	*	*			trans	-60.9	102.2	172.6	26.1	-29.7	0	0	0	105.1	K827	P825-K827 PolarHBondContact O-N 3.29Å
826	R	27	Very low	36.2	Very low	218 Å²	218	124.7 Å²	124.7	82%	0.823	70%	0.697	S	S	*	*			trans	-49.6	115.4	164.6	-71.5	-177.9	-179.3	176.7	0	103	A824 C828	A824-R826 VanDerWaalsContact C-N 3.26Å; A824-R826 PolarHBondContact O-N 2.91Å; R826-C828 VanDerWaalsContact C-N 3.32Å; R826-C828 PolarHBondContact O-N 3.07Å
827	K	26.1	Very low	33.7	Very low	194 Å²	194	129 Å²	129	84%	0.843	72%	0.723	S	S	*	*			trans	-42.7	111.9	159.7	-75.7	179.3	176	178.7	0	103.9	P825 Q829	P825-K827 PolarHBondContact O-N 3.29Å; K827-Q829 PolarHBondContact O-N 2.88Å
828	C	24.3	Very low	31.9	Very low	129 Å²	129	133.4 Å²	133.4	87%	0.872	74%	0.74	S	S	*	*			trans	-60.5	93.8	-177.4	-74.5	0	0	0	0	106.3	R826 E830	R826-C828 VanDerWaalsContact C-N 3.32Å; R826-C828 PolarHBondContact O-N 3.07Å; C828-E830 PolarHBondContact O-N 3.03Å
829	Q	26.4	Very low	30.6	Very low	181 Å²	181	132 Å²	132	85%	0.846	75%	0.746	S	S	*	*			trans	-68.4	122.4	166	-80.9	-178.3	-25.8	0	0	105.6	K827 S831	K827-Q829 PolarHBondContact O-N 2.88Å; Q829-S831 PolarHBondContact O-N 2.58Å
830	E	26.4	Very low	30.2	Very low	190 Å²	190	130.6 Å²	130.6	89%	0.888	74%	0.739	S	S	*	*			trans	-40.2	119.5	171.2	-65	157.1	151.9	0	0	110.7	C828	C828-E830 PolarHBondContact O-N 3.03Å
831	S	27	Very low	30.7	Very low	100 Å²	100	130.9 Å²	130.9	70%	0.699	74%	0.735	S	S	*	*			trans	179.6	127.2	137	36.5	0	0	0	0	111.3	Q829	Q829-S831 PolarHBondContact O-N 2.58Å
832	N	28.2	Very low	31.1	Very low	152 Å²	152	129.2 Å²	129.2	81%	0.813	72%	0.72	S	S	*	*			trans	97.5	89	152.4	-51.8	-23.5	0	0	0	118.3
833	A	27.2	Very low	31.9	Very low	101 Å²	101	127.2 Å²	127.2	84%	0.835	71%	0.708	S	S	*	*				63.8	71.7	128.8	0	0	0	0	0	118
834	I	28.7	Very low	32.8	Very low	165 Å²	165	120.3 Å²	120.3	85%	0.846	68%	0.676	S	S	*	*			trans	-130.4	126.7	146.7	-60.7	178.4	0	0	0	106.8
835	V	28.7	Very low	34.1	Very low	119 Å²	119	120.9 Å²	120.9	72%	0.721	67%	0.667	S	S	*	*			trans	-41.2	127.6	-178.2	179.5	0	0	0	0	111.1	V837	V835-V837 PolarHBondContact O-N 3.47Å
836	P	26.5	Very low	35.3	Very low	120 Å²	120	116.1 Å²	116.1	78%	0.779	64%	0.638	S	S	*	*			trans	-73.9	94	-179.8	30.6	-31.2	0	0	0	108.6
837	V	32.4	Very low	36.7	Very low	106 Å²	106	106.8 Å²	106.8	64%	0.642	60%	0.604	S	S	*	*			trans	-68.2	131	163.2	-178.2	0	0	0	0	106.7	V835 A839	V835-V837 PolarHBondContact O-N 3.47Å; V837-A839 PolarHBondContact O-N 3.45Å
838	K	35.7	Very low	38.1	Very low	154 Å²	154	97.7 Å²	97.7	67%	0.67	57%	0.565	S	S	*	*			trans	-55.3	90.8	-172.6	-65	177	178.6	178.4	0	111.7	G840 D841	K838-G840 PolarHBondContact O-N 3.01Å; K838-D841 HydrophobicContact CB-CB 4.41Å; K838-D841 WeakPolarHBondContact CD-OD2 3.28Å; K838-D841 PolarHBondContact O-N 3.41Å
839	A	36.3	Very low	39.8	Very low	69 Å²	69	94.3 Å²	94.3	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-58.5	-17.7	-176.3	0	0	0	0	0	114.4	V837 I843	V837-A839 PolarHBondContact O-N 3.45Å; A839-I843 VanDerWaalsContact O-CD1 3.31Å; A839-I843 WeakPolarHBondContact O-CD1 3.41Å; A839-I843 VanDerWaalsContact O-CG1 3.31Å; A839-I843 WeakPolarHBondContact O-CG1 3.4Å
840	G	39	Very low	41.4	Very low	44 Å²	44	88.1 Å²	88.1	45%	0.454	51%	0.505	S	S	.	.	H	α-helix	trans	-71.8	-35	172.2	0	0	0	0	0	114.1	K838 N844	K838-G840 PolarHBondContact O-N 3.01Å; G840-N844 WeakPolarHBondContact O-CB 3.37Å; G840-N844 PolarHBondContact O-N 3.25Å; G840-N844 PolarHBondContact O-ND2 3.02Å
841	D	43.2	Very low	42.9	Very low	83 Å²	83	79.7 Å²	79.7	44%	0.444	47%	0.466	S	S	.	.	H	α-helix	trans	-75.9	-35.7	-174.4	-70.1	-27.9	0	0	0	111.8	K838 N844 Q845	K838-D841 HydrophobicContact CB-CB 4.41Å; K838-D841 WeakPolarHBondContact CD-OD2 3.28Å; K838-D841 PolarHBondContact O-N 3.41Å; D841-N844 PolarHBondContact O-N 3.05Å; D841-Q845 WeakPolarHBondContact O-CB 3.44Å; D841-Q845 PolarHBondContact O-N 3.36Å
842	D	47.4	Very low	44.4	Very low	86 Å²	86	75.3 Å²	75.3	46%	0.46	44%	0.435	S	S	.	.	H	α-helix	trans	-71.1	-39.5	179.2	-71.6	-22.5	0	0	0	112.6	N844 Q845 A846	D842-N844 VanDerWaalsContact C-N 3.31Å; D842-N844 PolarHBondContact O-N 2.51Å; D842-Q845 WeakPolarHBondContact O-CB 3.47Å; D842-Q845 PolarHBondContact O-N 3.05Å; D842-A846 VanDerWaalsContact O-CB 3.26Å; D842-A846 WeakPolarHBondContact O-CB 3.31Å; D842-A846 PolarHBondContact O-N 3.26Å
843	I	47.2	Very low	46	Very low	100 Å²	100	72.2 Å²	72.2	51%	0.513	42%	0.418	S	S	.	.	H	α-helix	trans	-63.1	-43.1	174.9	-65.6	170.5	0	0	0	109.7	A839 A846 M847	A839-I843 VanDerWaalsContact O-CD1 3.31Å; A839-I843 WeakPolarHBondContact O-CD1 3.41Å; A839-I843 VanDerWaalsContact O-CG1 3.31Å; A839-I843 WeakPolarHBondContact O-CG1 3.4Å; I843-A846 PolarHBondContact O-N 2.95Å; I843-M847 WeakPolarHBondContact O-CB 3.17Å; I843-M847 PolarHBondContact O-N 2.98Å
844	N	53.3	Low	47.6	Very low	28 Å²	28	70.3 Å²	70.3	15%	0.15	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-38.9	176.5	-75.4	-22.4	0	0	0	112	G840 D841 D842 L848 F967	G840-N844 WeakPolarHBondContact O-CB 3.37Å; G840-N844 PolarHBondContact O-N 3.25Å; G840-N844 PolarHBondContact O-ND2 3.02Å; D841-N844 PolarHBondContact O-N 3.05Å; D842-N844 VanDerWaalsContact C-N 3.31Å; D842-N844 PolarHBondContact O-N 2.51Å; N844-L848 VanDerWaalsContact O-CB 3.25Å; N844-L848 WeakPolarHBondContact O-CB 3.31Å; N844-L848 PolarHBondContact O-N 2.87Å; N844-F967 HydrophobicContact CB-CD1 4.02Å; N844-F967 HydrophobicContact CB-CE1 3.49Å; N844-F967 VanDerWaalsContact CB-CE1 3.49Å; N844-F967 HydrophobicContact CB-CZ 4.06Å; N844-F967 VanDerWaalsContact CG-CE1 3.5Å; N844-F967 WeakPolarHBondContact ND2-CE1 3.39Å
845	Q	55	Low	48.9	Very low	79 Å²	79	62.8 Å²	62.8	37%	0.369	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-48.6	175.3	-178.5	161.8	59	0	0	112.8	D841 D842 L848 Q849 W1008	D841-Q845 WeakPolarHBondContact O-CB 3.44Å; D841-Q845 PolarHBondContact O-N 3.36Å; D842-Q845 WeakPolarHBondContact O-CB 3.47Å; D842-Q845 PolarHBondContact O-N 3.05Å; Q845-L848 PolarHBondContact O-N 2.73Å; Q845-Q849 WeakPolarHBondContact O-CB 3.27Å; Q845-Q849 PolarHBondContact O-N 3.39Å; Q845-W1008 HydrophobicContact CB-CH2 3.54Å; Q845-W1008 HydrophobicContact CB-CZ2 4.5Å; Q845-W1008 HydrophobicContact CB-CZ3 4.28Å; Q845-W1008 HydrophobicContact CG-CH2 3.45Å; Q845-W1008 VanDerWaalsContact CG-CH2 3.45Å; Q845-W1008 HydrophobicContact CG-CZ3 3.78Å
846	A	55	Low	50.3	Low	20 Å²	20	58 Å²	58	17%	0.165	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-43.8	-179.5	0	0	0	0	0	111.7	P773 D842 I843 Q849 R850	P773-A846 HydrophobicContact CB-CB 3.56Å; P773-A846 HydrophobicContact CG-CB 3.71Å; D842-A846 VanDerWaalsContact O-CB 3.26Å; D842-A846 WeakPolarHBondContact O-CB 3.31Å; D842-A846 PolarHBondContact O-N 3.26Å; I843-A846 PolarHBondContact O-N 2.95Å; A846-Q849 PolarHBondContact O-N 3.34Å; A846-R850 WeakPolarHBondContact O-CB 3.14Å; A846-R850 PolarHBondContact O-N 3.24Å
847	M	56.7	Low	51.9	Low	23 Å²	23	55.9 Å²	55.9	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-48.6	173.9	-176.1	-161.7	177.6	0	0	111.6	I843 Q849 R850 N851 V960 Q964 V968	I843-M847 WeakPolarHBondContact O-CB 3.17Å; I843-M847 PolarHBondContact O-N 2.98Å; M847-Q849 PolarHBondContact O-N 3.29Å; M847-R850 WeakPolarHBondContact O-CB 3.32Å; M847-R850 PolarHBondContact O-N 2.78Å; M847-N851 PolarHBondContact O-N 3.5Å; M847-N851 PolarHBondContact O-OD1 3.19Å; M847-N851 VanDerWaalsContact O-OD1 3.1Å; M847-V960 HydrophobicContact CE-CB 3.9Å; M847-V960 HydrophobicContact CE-CG1 3.13Å; M847-V960 HydrophobicContact CE-CG2 3.42Å; M847-V960 VanDerWaalsContact CE-CG2 3.42Å; M847-Q964 HydrophobicContact CE-CB 3.87Å; M847-Q964 HydrophobicContact SD-CB 4.03Å; M847-Q964 HydrophobicContact SD-CG 4.36Å; M847-V968 HydrophobicContact CE-CG2 3.59Å; M847-V968 HydrophobicContact SD-CG2 3.64Å
848	L	56.5	Low	53.3	Low	2 Å²	2	52.8 Å²	52.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-42	179.5	-167.9	72.5	0	0	0	111.9	N844 Q845 R850 N851 V852 V968 L971 L972 Y1005 W1008	N844-L848 VanDerWaalsContact O-CB 3.25Å; N844-L848 WeakPolarHBondContact O-CB 3.31Å; N844-L848 PolarHBondContact O-N 2.87Å; Q845-L848 PolarHBondContact O-N 2.73Å; L848-R850 VanDerWaalsContact C-N 3.3Å; L848-R850 PolarHBondContact O-N 3.35Å; L848-N851 PolarHBondContact O-N 2.74Å; L848-V852 WeakPolarHBondContact O-CG2 3.42Å; L848-V852 PolarHBondContact O-N 2.84Å; L848-V968 HydrophobicContact CD1-CG1 4.48Å; L848-L971 HydrophobicContact CD1-CD2 4.15Å; L848-L971 HydrophobicContact CD2-CD2 3.44Å; L848-L971 VanDerWaalsContact CD2-CD2 3.44Å; L848-L971 HydrophobicContact CG-CD2 4.38Å; L848-L972 HydrophobicContact CD1-CD1 4.46Å; L848-L972 HydrophobicContact CD1-CD2 3.72Å; L848-L972 HydrophobicContact CD1-CG 4.1Å; L848-Y1005 HydrophobicContact CB-CD2 4.42Å; L848-Y1005 HydrophobicContact CB-CE2 4.22Å; L848-Y1005 HydrophobicContact CD2-CD2 3.44Å; L848-Y1005 VanDerWaalsContact CD2-CD2 3.44Å; L848-Y1005 HydrophobicContact CD2-CE2 3.83Å; L848-Y1005 HydrophobicContact CG-CD2 3.5Å; L848-Y1005 VanDerWaalsContact CG-CD2 3.5Å; L848-Y1005 HydrophobicContact CG-CE2 3.78Å; L848-W1008 HydrophobicContact CD2-CD2 4.18Å; L848-W1008 HydrophobicContact CD2-CE3 3.62Å; L848-W1008 HydrophobicContact CD2-CH2 4.26Å; L848-W1008 HydrophobicContact CD2-CZ3 3.67Å
849	Q	59.5	Low	54.3	Low	58 Å²	58	46.3 Å²	46.3	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-59.6	-41.7	174.7	179.9	158.3	-55.9	0	0	112.2	Q845 A846 M847 V852 N853 Y1005	Q845-Q849 WeakPolarHBondContact O-CB 3.27Å; Q845-Q849 PolarHBondContact O-N 3.39Å; A846-Q849 PolarHBondContact O-N 3.34Å; M847-Q849 PolarHBondContact O-N 3.29Å; Q849-V852 PolarHBondContact O-N 3.44Å; Q849-N853 VanDerWaalsContact O-CG 3.28Å; Q849-N853 PolarHBondContact O-N 2.88Å; Q849-N853 PolarHBondContact O-ND2 3.19Å; Q849-Y1005 WeakPolarHBondContact CA-OH 3.36Å; Q849-Y1005 HydrophobicContact CB-CE2 4.35Å; Q849-Y1005 WeakPolarHBondContact CB-OH 3.3Å; Q849-Y1005 VanDerWaalsContact CG-OH 3.22Å; Q849-Y1005 WeakPolarHBondContact CG-OH 3.36Å; Q849-Y1005 PolarHBondContact OE1-OH 2.84Å
850	R	60.2	Low	55.3	Low	52 Å²	52	43.5 Å²	43.5	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-41	176.6	179.6	168.5	153.5	-136.2	-19.6	112.1	C771 A846 M847 L848 V852 N853 R854	C771-R850 VanDerWaalsContact CA-CZ 3.43Å; C771-R850 VanDerWaalsContact O-CD 3.31Å; C771-R850 WeakPolarHBondContact O-CD 3.4Å; C771-R850 VanDerWaalsContact O-CZ 3.3Å; C771-R850 PolarHBondContact O-NE 3.02Å; C771-R850 PolarHBondContact O-NH1 3.44Å; C771-R850 PolarHBondContact SG-NH2 2.87Å; A846-R850 WeakPolarHBondContact O-CB 3.14Å; A846-R850 PolarHBondContact O-N 3.24Å; M847-R850 WeakPolarHBondContact O-CB 3.32Å; M847-R850 PolarHBondContact O-N 2.78Å; L848-R850 VanDerWaalsContact C-N 3.3Å; L848-R850 PolarHBondContact O-N 3.35Å; R850-V852 VanDerWaalsContact C-N 3.33Å; R850-V852 PolarHBondContact O-N 3.35Å; R850-N853 PolarHBondContact O-N 2.71Å; R850-R854 VanDerWaalsContact NH2-CZ 3.32Å; R850-R854 VanDerWaalsContact NH2-NH2 3.1Å; R850-R854 WeakPolarHBondContact O-CG 3.32Å; R850-R854 PolarHBondContact O-N 2.97Å
851	N	57.5	Low	56.5	Low	12 Å²	12	47.6 Å²	47.6	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-43.5	177.2	-65.2	-2	0	0	0	111	M847 L848 R854 A855 W955	M847-N851 PolarHBondContact O-N 3.5Å; M847-N851 PolarHBondContact O-OD1 3.19Å; M847-N851 VanDerWaalsContact O-OD1 3.1Å; L848-N851 PolarHBondContact O-N 2.74Å; N851-R854 PolarHBondContact O-N 2.96Å; N851-A855 WeakPolarHBondContact O-CB 3.02Å; N851-A855 PolarHBondContact O-N 2.88Å; N851-W955 HydrophobicContact CB-CZ3 4.47Å; N851-W955 VanDerWaalsContact CG-CZ3 3.48Å; N851-W955 WeakPolarHBondContact OD1-CH2 3.45Å; N851-W955 WeakPolarHBondContact OD1-CZ3 3.46Å
852	V	58.9	Low	57.4	Low	9 Å²	9	45.8 Å²	45.8	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-68.1	-40.4	177.4	174.1	0	0	0	0	112.3	L848 Q849 R850 R854 A855 M856 Y1005	L848-V852 WeakPolarHBondContact O-CG2 3.42Å; L848-V852 PolarHBondContact O-N 2.84Å; Q849-V852 PolarHBondContact O-N 3.44Å; R850-V852 VanDerWaalsContact C-N 3.33Å; R850-V852 PolarHBondContact O-N 3.35Å; V852-R854 PolarHBondContact O-N 2.87Å; V852-A855 PolarHBondContact O-N 3.24Å; V852-M856 HydrophobicContact CG1-CG 4.42Å; V852-M856 VanDerWaalsContact O-CG 3.29Å; V852-M856 WeakPolarHBondContact O-CG 3.39Å; V852-M856 PolarHBondContact O-N 3.46Å; V852-Y1005 HydrophobicContact CB-CD1 3.91Å; V852-Y1005 HydrophobicContact CB-CE1 3.99Å; V852-Y1005 HydrophobicContact CB-CG 4.2Å; V852-Y1005 HydrophobicContact CG1-CD1 3.68Å; V852-Y1005 HydrophobicContact CG1-CE1 3.89Å; V852-Y1005 HydrophobicContact CG1-CG 4.35Å; V852-Y1005 HydrophobicContact CG2-CD1 3.64Å; V852-Y1005 HydrophobicContact CG2-CD2 3.76Å; V852-Y1005 HydrophobicContact CG2-CE1 4.13Å; V852-Y1005 HydrophobicContact CG2-CE2 4.24Å; V852-Y1005 HydrophobicContact CG2-CG 3.43Å; V852-Y1005 VanDerWaalsContact CG2-CG 3.43Å
853	N	61.4	Low	57.8	Low	86 Å²	86	43.4 Å²	43.4	46%	0.46	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-42.2	175.9	-72.6	-25.7	0	0	0	111.8	Q849 R850 M856 D857	Q849-N853 VanDerWaalsContact O-CG 3.28Å; Q849-N853 PolarHBondContact O-N 2.88Å; Q849-N853 PolarHBondContact O-ND2 3.19Å; R850-N853 PolarHBondContact O-N 2.71Å; N853-M856 PolarHBondContact O-N 3.5Å; N853-D857 PolarHBondContact O-N 2.88Å
854	R	60	Low	58.4	Low	62 Å²	62	41.7 Å²	41.7	23%	0.234	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-40.2	175.3	-75.1	-175.6	176.1	-170.1	-2.8	112.4	C771 R850 N851 V852 M856 D857 Y858 W955	C771-R854 PolarHBondContact SG-NH2 3.48Å; C771-R854 VanDerWaalsContact SG-NH2 3.37Å; R850-R854 VanDerWaalsContact NH2-CZ 3.32Å; R850-R854 VanDerWaalsContact NH2-NH2 3.1Å; R850-R854 WeakPolarHBondContact O-CG 3.32Å; R850-R854 PolarHBondContact O-N 2.97Å; N851-R854 PolarHBondContact O-N 2.96Å; V852-R854 PolarHBondContact O-N 2.87Å; R854-M856 VanDerWaalsContact C-N 3.35Å; R854-D857 PolarHBondContact O-N 3.35Å; R854-Y858 WeakPolarHBondContact O-CB 3.45Å; R854-Y858 PolarHBondContact O-N 2.91Å; R854-W955 VanDerWaalsContact NH1-CE2 3.33Å
855	A	57.4	Low	58.9	Low	7 Å²	7	45.5 Å²	45.5	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-44.6	172.8	0	0	0	0	0	111.4	N851 V852 D857 Y858 F859 F948	N851-A855 WeakPolarHBondContact O-CB 3.02Å; N851-A855 PolarHBondContact O-N 2.88Å; V852-A855 PolarHBondContact O-N 3.24Å; A855-D857 PolarHBondContact O-N 2.82Å; A855-Y858 WeakPolarHBondContact O-CB 3.49Å; A855-Y858 PolarHBondContact O-N 3.4Å; A855-F859 WeakPolarHBondContact O-CD2 3.29Å; A855-F859 PolarHBondContact O-N 3.11Å; A855-F948 HydrophobicContact CB-CE2 3.68Å; A855-F948 HydrophobicContact CB-CZ 4.11Å
856	M	57	Low	59.1	Low	18 Å²	18	43.8 Å²	43.8	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-39.4	177.3	-69.7	-61.3	-60.4	0	0	112.6	V852 N853 R854 F859 A860 L923	V852-M856 HydrophobicContact CG1-CG 4.42Å; V852-M856 VanDerWaalsContact O-CG 3.29Å; V852-M856 WeakPolarHBondContact O-CG 3.39Å; V852-M856 PolarHBondContact O-N 3.46Å; N853-M856 PolarHBondContact O-N 3.5Å; R854-M856 VanDerWaalsContact C-N 3.35Å; M856-F859 PolarHBondContact O-N 2.9Å; M856-A860 WeakPolarHBondContact O-CB 3.49Å; M856-A860 PolarHBondContact O-N 2.61Å; M856-L923 HydrophobicContact SD-CD1 4.44Å
857	D	59.4	Low	59	Low	76 Å²	76	47.4 Å²	47.4	41%	0.406	23%	0.226	S	C	.	.	H	α-helix	trans	-66.9	-37.6	174.7	-77.2	-7.7	0	0	0	111.8	N853 R854 A855 A860 K861 Q898	N853-D857 PolarHBondContact O-N 2.88Å; R854-D857 PolarHBondContact O-N 3.35Å; A855-D857 PolarHBondContact O-N 2.82Å; D857-A860 PolarHBondContact O-N 3.49Å; D857-K861 WeakPolarHBondContact O-CG 3.12Å; D857-K861 PolarHBondContact O-N 3.37Å; D857-Q898 PolarHBondContact OD1-NE2 3.39Å
858	Y	62.9	Low	59.1	Low	41 Å²	41	52.8 Å²	52.8	16%	0.161	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-48.6	172.2	178.4	-95.1	0	0	0	111.2	R854 A855 A860 K861 Q862 I947 F951	R854-Y858 WeakPolarHBondContact O-CB 3.45Å; R854-Y858 PolarHBondContact O-N 2.91Å; A855-Y858 WeakPolarHBondContact O-CB 3.49Å; A855-Y858 PolarHBondContact O-N 3.4Å; Y858-A860 VanDerWaalsContact C-N 3.3Å; Y858-A860 PolarHBondContact O-N 3.3Å; Y858-K861 PolarHBondContact O-N 3.45Å; Y858-Q862 HydrophobicContact CD1-CG 4.22Å; Y858-Q862 HydrophobicContact CE1-CG 3.7Å; Y858-Q862 HydrophobicContact CE2-CG 4.25Å; Y858-Q862 PolarHBondContact O-N 3.43Å; Y858-Q862 PolarHBondContact OH-NE2 3.45Å; Y858-I947 WeakPolarHBondContact OH-CG2 3.4Å; Y858-F951 HydrophobicContact CD2-CD2 4.15Å; Y858-F951 HydrophobicContact CD2-CE2 4.24Å; Y858-F951 HydrophobicContact CD2-CG 4.31Å; Y858-F951 HydrophobicContact CD2-CZ 4.47Å; Y858-F951 HydrophobicContact CE2-CD2 4.24Å; Y858-F951 HydrophobicContact CE2-CG 4.33Å; Y858-F951 HydrophobicContact CG-CD1 4.4Å; Y858-F951 HydrophobicContact CG-CE1 4.41Å
859	F	55.9	Low	59.3	Low	17 Å²	17	57.2 Å²	57.2	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-40.9	174.9	-75.9	-62.2	0	0	0	112.2	A855 M856 K861 Q862 L863 L923 F948	A855-F859 WeakPolarHBondContact O-CD2 3.29Å; A855-F859 PolarHBondContact O-N 3.11Å; M856-F859 PolarHBondContact O-N 2.9Å; F859-K861 PolarHBondContact O-N 2.89Å; F859-Q862 PolarHBondContact O-N 3.07Å; F859-L863 WeakPolarHBondContact O-CB 3.36Å; F859-L863 WeakPolarHBondContact O-CG 3.27Å; F859-L863 PolarHBondContact O-N 3.48Å; F859-L923 HydrophobicContact CD2-CD2 4.41Å; F859-L923 HydrophobicContact CG-CD2 4.44Å; F859-F948 AromaticContact CE2-CD2 4Å; F859-F948 HydrophobicContact CE2-CD2 4Å; F859-F948 AromaticContact CE2-CE2 4Å; F859-F948 HydrophobicContact CE2-CE2 4Å; F859-F948 HydrophobicContact CZ-CB 4.5Å; F859-F948 AromaticContact CZ-CD2 3.72Å; F859-F948 HydrophobicContact CZ-CD2 3.72Å; F859-F948 HydrophobicContact CZ-CE2 4.16Å; F859-F948 HydrophobicContact CZ-CG 4.08Å
860	A	58.7	Low	59	Low	10 Å²	10	57.7 Å²	57.7	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-38.6	177	0	0	0	0	0	112.5	M856 D857 Y858 L863 L864 F895	M856-A860 WeakPolarHBondContact O-CB 3.49Å; M856-A860 PolarHBondContact O-N 2.61Å; D857-A860 PolarHBondContact O-N 3.49Å; Y858-A860 VanDerWaalsContact C-N 3.3Å; Y858-A860 PolarHBondContact O-N 3.3Å; A860-L863 WeakPolarHBondContact O-CB 3.5Å; A860-L864 WeakPolarHBondContact O-CG 3.18Å; A860-L864 PolarHBondContact O-N 2.96Å; A860-F895 HydrophobicContact CB-CZ 4.36Å
861	K	63.3	Low	58.5	Low	130 Å²	130	58 Å²	58	57%	0.565	30%	0.298	S	S	*	.	H	α-helix	trans	-67.6	-42.4	174.8	-73.5	177.2	-178.5	179.7	0	112.4	D857 Y858 F859 L863 L864 K865	D857-K861 WeakPolarHBondContact O-CG 3.12Å; D857-K861 PolarHBondContact O-N 3.37Å; Y858-K861 PolarHBondContact O-N 3.45Å; F859-K861 PolarHBondContact O-N 2.89Å; K861-L863 VanDerWaalsContact C-N 3.33Å; K861-L864 PolarHBondContact O-N 3.24Å; K861-K865 PolarHBondContact O-N 2.94Å
862	Q	61.6	Low	58.1	Low	46 Å²	46	63.1 Å²	63.1	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-39.6	176.2	-67.7	-59.7	-12.6	0	0	111.5	Y858 F859 L864 K865 V866	Y858-Q862 HydrophobicContact CD1-CG 4.22Å; Y858-Q862 HydrophobicContact CE1-CG 3.7Å; Y858-Q862 HydrophobicContact CE2-CG 4.25Å; Y858-Q862 PolarHBondContact O-N 3.43Å; Y858-Q862 PolarHBondContact OH-NE2 3.45Å; F859-Q862 PolarHBondContact O-N 3.07Å; Q862-L864 VanDerWaalsContact C-N 3.34Å; Q862-L864 PolarHBondContact O-N 3.09Å; Q862-K865 PolarHBondContact O-N 2.97Å; Q862-V866 WeakPolarHBondContact O-CG2 3.43Å; Q862-V866 PolarHBondContact O-N 3.46Å
863	L	56.2	Low	57.6	Low	36 Å²	36	71.6 Å²	71.6	19%	0.188	37%	0.366	C	S	.	.	H	α-helix	trans	-57.6	-43.2	171.2	-88.6	159.9	0	0	0	112.8	F859 A860 K861 Q867 F926	F859-L863 WeakPolarHBondContact O-CB 3.36Å; F859-L863 WeakPolarHBondContact O-CG 3.27Å; F859-L863 PolarHBondContact O-N 3.48Å; A860-L863 WeakPolarHBondContact O-CB 3.5Å; K861-L863 VanDerWaalsContact C-N 3.33Å; L863-Q867 PolarHBondContact O-N 3.34Å; L863-F926 HydrophobicContact CD2-CD2 3.16Å; L863-F926 HydrophobicContact CD2-CE2 3.23Å; L863-F926 HydrophobicContact CD2-CG 4Å; L863-F926 HydrophobicContact CD2-CZ 4.13Å; L863-F926 HydrophobicContact CG-CD2 3.86Å; L863-F926 HydrophobicContact CG-CE2 3.66Å; L863-F926 HydrophobicContact CG-CG 4.41Å; L863-F926 HydrophobicContact CG-CZ 4.07Å
864	L	60.7	Low	56.3	Low	63 Å²	63	72.2 Å²	72.2	33%	0.33	38%	0.376	S	S	.	.	H	α-helix	trans	-66.1	-41.1	176	-80.3	164	0	0	0	111.9	A860 K861 Q862 V866 Q867 E868 F895	A860-L864 WeakPolarHBondContact O-CG 3.18Å; A860-L864 PolarHBondContact O-N 2.96Å; K861-L864 PolarHBondContact O-N 3.24Å; Q862-L864 VanDerWaalsContact C-N 3.34Å; Q862-L864 PolarHBondContact O-N 3.09Å; L864-V866 PolarHBondContact O-N 3.13Å; L864-Q867 WeakPolarHBondContact O-CA 3.39Å; L864-Q867 VanDerWaalsContact O-CB 3.28Å; L864-Q867 WeakPolarHBondContact O-CB 3.26Å; L864-Q867 PolarHBondContact O-N 3.22Å; L864-Q867 VanDerWaalsContact O-N 3.07Å; L864-E868 PolarHBondContact O-N 3.39Å; L864-F895 HydrophobicContact CD1-CE2 4.46Å; L864-F895 HydrophobicContact CD1-CZ 4.28Å
865	K	63.4	Low	55.2	Low	108 Å²	108	72.2 Å²	72.2	47%	0.47	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-44.3	176.7	-162.9	-171.8	-179.7	-150.7	0	111.6	K861 Q862 Q867 E868 E869	K861-K865 PolarHBondContact O-N 2.94Å; Q862-K865 PolarHBondContact O-N 2.97Å; K865-Q867 VanDerWaalsContact C-N 3.26Å; K865-Q867 PolarHBondContact O-N 3.49Å; K865-E868 PolarHBondContact O-N 3.39Å; K865-E868 VanDerWaalsContact O-N 3.16Å; K865-E869 WeakPolarHBondContact CE-OE1 2.99Å; K865-E869 IonicContact NZ-OE1 2.77Å; K865-E869 PolarHBondContact NZ-OE1 3.44Å; K865-E869 WeakPolarHBondContact O-CG 3.28Å; K865-E869 PolarHBondContact O-N 3.02Å
866	V	58.2	Low	54.2	Low	44 Å²	44	83.5 Å²	83.5	27%	0.267	44%	0.437	S	S	.	.	H	α-helix	trans	-62.7	-33.3	173.9	174.5	0	0	0	0	111.4	Q862 L864 T870	Q862-V866 WeakPolarHBondContact O-CG2 3.43Å; Q862-V866 PolarHBondContact O-N 3.46Å; L864-V866 PolarHBondContact O-N 3.13Å; V866-T870 HydrophobicContact CG1-CG2 4.32Å; V866-T870 WeakPolarHBondContact O-CB 3.23Å; V866-T870 VanDerWaalsContact O-CG2 3.28Å; V866-T870 WeakPolarHBondContact O-CG2 3.31Å; V866-T870 PolarHBondContact O-N 3.11Å; V866-T870 PolarHBondContact O-OG1 3.4Å
867	Q	53.8	Low	53.2	Low	95 Å²	95	90.4 Å²	90.4	44%	0.444	47%	0.473	S	S	.	.	H	α-helix	trans	-66.5	-42.3	173.4	-169.3	-166.3	-37.8	0	0	112.1	L863 L864 K865 T870 G871	L863-Q867 PolarHBondContact O-N 3.34Å; L864-Q867 WeakPolarHBondContact O-CA 3.39Å; L864-Q867 VanDerWaalsContact O-CB 3.28Å; L864-Q867 WeakPolarHBondContact O-CB 3.26Å; L864-Q867 PolarHBondContact O-N 3.22Å; L864-Q867 VanDerWaalsContact O-N 3.07Å; K865-Q867 VanDerWaalsContact C-N 3.26Å; K865-Q867 PolarHBondContact O-N 3.49Å; Q867-T870 WeakPolarHBondContact CA-OG1 3.41Å; Q867-T870 PolarHBondContact O-OG1 3.41Å; Q867-G871 PolarHBondContact O-N 2.99Å
868	E	59.6	Low	51.9	Low	137 Å²	137	95.2 Å²	95.2	64%	0.64	50%	0.499	S	S	*	.	H	α-helix	trans	-66	-42.2	177.2	-71	176.2	174.7	0	0	111.4	L864 K865 G871 T872	L864-E868 PolarHBondContact O-N 3.39Å; K865-E868 PolarHBondContact O-N 3.39Å; K865-E868 VanDerWaalsContact O-N 3.16Å; E868-G871 PolarHBondContact O-N 2.98Å; E868-T872 WeakPolarHBondContact O-CG2 3.27Å; E868-T872 PolarHBondContact O-N 3.43Å; E868-T872 PolarHBondContact O-OG1 3.4Å
869	E	59.6	Low	50.4	Low	95 Å²	95	96.4 Å²	96.4	44%	0.444	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-36.6	177.5	-70.1	172.6	-173.9	0	0	112.2	K865 T872 K873	K865-E869 WeakPolarHBondContact CE-OE1 2.99Å; K865-E869 IonicContact NZ-OE1 2.77Å; K865-E869 PolarHBondContact NZ-OE1 3.44Å; K865-E869 WeakPolarHBondContact O-CG 3.28Å; K865-E869 PolarHBondContact O-N 3.02Å; E869-T872 PolarHBondContact O-OG1 3.44Å; E869-K873 PolarHBondContact O-N 2.84Å
870	T	53.5	Low	49.2	Very low	67 Å²	67	100.9 Å²	100.9	41%	0.411	56%	0.563	S	S	.	*	H	α-helix	trans	-78	-28.7	174.5	53.1	0	0	0	0	113	V866 Q867 C874	V866-T870 HydrophobicContact CG1-CG2 4.32Å; V866-T870 WeakPolarHBondContact O-CB 3.23Å; V866-T870 VanDerWaalsContact O-CG2 3.28Å; V866-T870 WeakPolarHBondContact O-CG2 3.31Å; V866-T870 PolarHBondContact O-N 3.11Å; V866-T870 PolarHBondContact O-OG1 3.4Å; Q867-T870 WeakPolarHBondContact CA-OG1 3.41Å; Q867-T870 PolarHBondContact O-OG1 3.41Å; T870-C874 VanDerWaalsContact O-CB 3.23Å; T870-C874 WeakPolarHBondContact O-CB 3.39Å; T870-C874 PolarHBondContact O-N 3.29Å
871	G	48.9	Very low	48.3	Very low	59 Å²	59	104.4 Å²	104.4	61%	0.608	59%	0.588	S	S	*	*	H	α-helix	trans	-74.4	-29.5	176	0	0	0	0	0	113.8	Q867 E868	Q867-G871 PolarHBondContact O-N 2.99Å; E868-G871 PolarHBondContact O-N 2.98Å
872	T	50.6	Low	47.2	Very low	119 Å²	119	108.6 Å²	108.6	73%	0.73	60%	0.6	S	S	*	*	H	α-helix	trans	-83.8	-22.9	178.2	44	0	0	0	0	113.6	E868 E869	E868-T872 WeakPolarHBondContact O-CG2 3.27Å; E868-T872 PolarHBondContact O-N 3.43Å; E868-T872 PolarHBondContact O-OG1 3.4Å; E869-T872 PolarHBondContact O-OG1 3.44Å
873	K	46.7	Very low	46.8	Very low	188 Å²	188	108.9 Å²	108.9	82%	0.817	61%	0.605	S	S	*	*	H	α-helix	trans	-95.1	-11.7	176	-72.1	-176.6	177.6	179.9	0	114.9	E869 G875	E869-K873 PolarHBondContact O-N 2.84Å; K873-G875 PolarHBondContact O-N 2.78Å
874	C	35.8	Very low	46.3	Very low	99 Å²	99	108.9 Å²	108.9	67%	0.669	61%	0.614	S	S	*	*			trans	-101.2	57.8	-176.6	-142.7	0	0	0	0	112.2	T870	T870-C874 VanDerWaalsContact O-CB 3.23Å; T870-C874 WeakPolarHBondContact O-CB 3.39Å; T870-C874 PolarHBondContact O-N 3.29Å
875	G	35.6	Very low	45.5	Very low	62 Å²	62	110.2 Å²	110.2	64%	0.639	63%	0.626	S	S	*	*	S	Bend	trans	-110.5	111.7	161.1	0	0	0	0	0	108	K873	K873-G875 PolarHBondContact O-N 2.78Å
876	R	37	Very low	44.9	Very low	244 Å²	244	110.4 Å²	110.4	92%	0.921	63%	0.628	S	S	*	*	S	Bend	trans	83.6	59.1	178.6	-51	174.2	177.8	176.4	-0.6	117.5
877	L	36	Very low	44.4	Very low	162 Å²	162	111 Å²	111	85%	0.848	63%	0.629	S	S	*	*			trans	-145.2	109.6	147.4	-84.9	-178	0	0	0	110.2	G879	L877-G879 PolarHBondContact O-N 3.41Å
878	N	32.1	Very low	44.2	Very low	177 Å²	177	108 Å²	108	95%	0.947	62%	0.62	S	S	*	*			trans	-67.9	111.9	169.5	-71.7	-30	0	0	0	108.6
879	G	31.6	Very low	43.9	Very low	66 Å²	66	110.2 Å²	110.2	68%	0.68	62%	0.623	S	S	*	*	S	Bend	trans	157.8	98.2	172.3	0	0	0	0	0	115.8	L877 S881	L877-G879 PolarHBondContact O-N 3.41Å; G879-S881 PolarHBondContact O-N 3.27Å
880	A	30.4	Very low	43.5	Very low	111 Å²	111	107.1 Å²	107.1	92%	0.917	61%	0.61	S	S	*	*			trans	69.1	11.3	137.6	0	0	0	0	0	123.4
881	S	40.1	Very low	43.5	Very low	84 Å²	84	104.7 Å²	104.7	59%	0.587	60%	0.595	S	S	*	*			trans	-106	87.9	166.8	-165.1	0	0	0	0	113.4	G879 T883	G879-S881 PolarHBondContact O-N 3.27Å; S881-T883 PolarHBondContact O-N 2.78Å; S881-T883 PolarHBondContact OG-OG1 3.14Å
882	R	38.9	Very low	43.7	Very low	218 Å²	218	105.4 Å²	105.4	82%	0.823	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	15.5	176.7	-74.1	-176.8	168.5	-164.6	-2.5	115.2	Q886	R882-Q886 WeakPolarHBondContact O-CG 3.44Å
883	T	53.6	Low	44	Very low	53 Å²	53	104.1 Å²	104.1	33%	0.325	58%	0.577	S	S	.	*	H	α-helix	trans	-93.4	-31	-165	60.9	0	0	0	0	114.9	S881 Q886 M887 K929	S881-T883 PolarHBondContact O-N 2.78Å; S881-T883 PolarHBondContact OG-OG1 3.14Å; T883-Q886 PolarHBondContact O-N 2.78Å; T883-M887 WeakPolarHBondContact O-CB 3.31Å; T883-M887 WeakPolarHBondContact O-CE 3.3Å; T883-M887 WeakPolarHBondContact O-CG 3.33Å; T883-M887 PolarHBondContact O-N 2.86Å; T883-K929 PolarHBondContact OG1-NZ 3.33Å
884	G	45.3	Very low	44.4	Very low	36 Å²	36	96.6 Å²	96.6	37%	0.371	55%	0.546	S	S	.	.	H	α-helix	trans	-61.3	-57.5	-175.9	0	0	0	0	0	114.6	Q886 M887 A888	G884-Q886 VanDerWaalsContact C-N 3.3Å; G884-Q886 PolarHBondContact O-N 2.89Å; G884-M887 PolarHBondContact O-N 3.15Å; G884-A888 PolarHBondContact O-N 3.47Å
885	P	45	Very low	45.2	Very low	90 Å²	90	95.5 Å²	95.5	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-64.5	-32.6	178.7	-22.8	33.4	0	0	0	113.3	A888 R889	P885-A888 PolarHBondContact O-N 3.45Å; P885-R889 WeakPolarHBondContact O-CG 3.48Å; P885-R889 PolarHBondContact O-N 3.33Å
886	Q	50.2	Low	46.2	Very low	112 Å²	112	99.7 Å²	99.7	52%	0.523	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-46.5	173.7	-73.6	-176	-9.1	0	0	110.7	R882 T883 G884 A888 R889 T890	R882-Q886 WeakPolarHBondContact O-CG 3.44Å; T883-Q886 PolarHBondContact O-N 2.78Å; G884-Q886 VanDerWaalsContact C-N 3.3Å; G884-Q886 PolarHBondContact O-N 2.89Å; Q886-A888 VanDerWaalsContact C-N 3.33Å; Q886-A888 PolarHBondContact O-N 3.36Å; Q886-R889 PolarHBondContact O-N 2.92Å; Q886-T890 WeakPolarHBondContact O-CB 3.47Å; Q886-T890 PolarHBondContact O-N 3.37Å; Q886-T890 PolarHBondContact O-OG1 3.48Å
887	M	48.6	Very low	47	Very low	58 Å²	58	93.9 Å²	93.9	29%	0.286	51%	0.505	S	S	.	.	H	α-helix	trans	-59.1	-42.6	174.3	-77.5	-177.5	-62.4	0	0	111.7	T883 G884 R889 T890 V891	T883-M887 WeakPolarHBondContact O-CB 3.31Å; T883-M887 WeakPolarHBondContact O-CE 3.3Å; T883-M887 WeakPolarHBondContact O-CG 3.33Å; T883-M887 PolarHBondContact O-N 2.86Å; G884-M887 PolarHBondContact O-N 3.15Å; M887-R889 PolarHBondContact O-N 2.92Å; M887-T890 CarbonylContact O-C 3.59Å; M887-T890 PolarHBondContact O-N 2.82Å; M887-V891 WeakPolarHBondContact O-CB 3.28Å; M887-V891 VanDerWaalsContact O-CG2 3.29Å; M887-V891 WeakPolarHBondContact O-CG2 3.25Å; M887-V891 PolarHBondContact O-N 3.37Å
888	A	49.3	Very low	48	Very low	30 Å²	30	89.3 Å²	89.3	25%	0.248	48%	0.48	C	S	.	.	H	α-helix	trans	-60.8	-43.9	176.6	0	0	0	0	0	112.8	G884 P885 Q886 T890 S892	G884-A888 PolarHBondContact O-N 3.47Å; P885-A888 PolarHBondContact O-N 3.45Å; Q886-A888 VanDerWaalsContact C-N 3.33Å; Q886-A888 PolarHBondContact O-N 3.36Å; A888-T890 VanDerWaalsContact C-N 3.29Å; A888-T890 PolarHBondContact O-N 2.67Å; A888-S892 VanDerWaalsContact O-CB 3.25Å; A888-S892 WeakPolarHBondContact O-CB 3.33Å; A888-S892 PolarHBondContact O-N 3.1Å; A888-S892 PolarHBondContact O-OG 3.48Å
889	R	52.1	Low	48.9	Very low	184 Å²	184	90 Å²	90	69%	0.694	47%	0.469	S	S	*	.	H	α-helix	trans	-61.1	-39.2	171.9	-73	-179.4	-172.4	169.8	2.7	111.7	P885 Q886 M887 S892 Q893	P885-R889 WeakPolarHBondContact O-CG 3.48Å; P885-R889 PolarHBondContact O-N 3.33Å; Q886-R889 PolarHBondContact O-N 2.92Å; M887-R889 PolarHBondContact O-N 2.92Å; R889-S892 PolarHBondContact O-N 2.93Å; R889-Q893 WeakPolarHBondContact O-CB 3.35Å; R889-Q893 WeakPolarHBondContact O-CG 3.35Å; R889-Q893 PolarHBondContact O-N 3.46Å
890	T	52.4	Low	49.9	Very low	30 Å²	30	89.1 Å²	89.1	18%	0.184	45%	0.452	C	S	.	.	H	α-helix	trans	-76.7	-35.4	-175.1	-35.2	0	0	0	0	112.3	Q886 M887 A888 Q893 L894 F918 M922	Q886-T890 WeakPolarHBondContact O-CB 3.47Å; Q886-T890 PolarHBondContact O-N 3.37Å; Q886-T890 PolarHBondContact O-OG1 3.48Å; M887-T890 CarbonylContact O-C 3.59Å; M887-T890 PolarHBondContact O-N 2.82Å; A888-T890 VanDerWaalsContact C-N 3.29Å; A888-T890 PolarHBondContact O-N 2.67Å; T890-Q893 PolarHBondContact O-N 2.91Å; T890-L894 WeakPolarHBondContact O-CB 3.08Å; T890-L894 PolarHBondContact O-N 2.86Å; T890-F918 HydrophobicContact CG2-CE1 4.3Å; T890-F918 HydrophobicContact CG2-CE2 4.25Å; T890-F918 HydrophobicContact CG2-CZ 3.49Å; T890-F918 VanDerWaalsContact CG2-CZ 3.49Å; T890-M922 HydrophobicContact CG2-CE 3.47Å; T890-M922 VanDerWaalsContact CG2-CE 3.47Å; T890-M922 HydrophobicContact CG2-CG 4.22Å; T890-M922 HydrophobicContact CG2-SD 3.22Å; T890-M922 WeakPolarHBondContact CG2-SD 3.36Å
891	V	52.8	Low	50.8	Low	16 Å²	16	87.4 Å²	87.4	10%	0.097	43%	0.431	C	S	.	.	H	α-helix	trans	-66.2	-43.3	169.6	170	0	0	0	0	110.1	M887 Q893 L894 F895	M887-V891 WeakPolarHBondContact O-CB 3.28Å; M887-V891 VanDerWaalsContact O-CG2 3.29Å; M887-V891 WeakPolarHBondContact O-CG2 3.25Å; M887-V891 PolarHBondContact O-N 3.37Å; V891-Q893 VanDerWaalsContact C-N 3.33Å; V891-Q893 PolarHBondContact O-N 2.83Å; V891-L894 WeakPolarHBondContact O-CB 3.26Å; V891-L894 PolarHBondContact O-N 3.33Å; V891-L894 VanDerWaalsContact O-N 3.09Å; V891-F895 HydrophobicContact CG1-CD2 3.62Å; V891-F895 HydrophobicContact CG1-CE2 3.41Å; V891-F895 VanDerWaalsContact CG1-CE2 3.41Å; V891-F895 WeakPolarHBondContact O-CD2 3.43Å; V891-F895 PolarHBondContact O-N 2.87Å
892	S	53.8	Low	50.9	Low	75 Å²	75	89.8 Å²	89.8	52%	0.524	43%	0.427	S	S	.	.	H	α-helix	trans	-60.6	-41.5	173.7	-60.6	0	0	0	0	111.9	A888 R889 F895 Y896	A888-S892 VanDerWaalsContact O-CB 3.25Å; A888-S892 WeakPolarHBondContact O-CB 3.33Å; A888-S892 PolarHBondContact O-N 3.1Å; A888-S892 PolarHBondContact O-OG 3.48Å; R889-S892 PolarHBondContact O-N 2.93Å; S892-F895 PolarHBondContact O-N 2.85Å; S892-Y896 VanDerWaalsContact O-CB 3.28Å; S892-Y896 WeakPolarHBondContact O-CB 3.46Å; S892-Y896 PolarHBondContact O-N 3.12Å
893	Q	55.9	Low	50.9	Low	91 Å²	91	84 Å²	84	43%	0.425	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-44.8	171.4	-78.5	175.7	-4.2	0	0	110.9	R889 T890 V891 F895 Y896 W897	R889-Q893 WeakPolarHBondContact O-CB 3.35Å; R889-Q893 WeakPolarHBondContact O-CG 3.35Å; R889-Q893 PolarHBondContact O-N 3.46Å; T890-Q893 PolarHBondContact O-N 2.91Å; V891-Q893 VanDerWaalsContact C-N 3.33Å; V891-Q893 PolarHBondContact O-N 2.83Å; Q893-F895 VanDerWaalsContact C-N 3.32Å; Q893-F895 PolarHBondContact O-N 2.87Å; Q893-Y896 WeakPolarHBondContact O-CB 3.34Å; Q893-Y896 PolarHBondContact O-N 3.22Å; Q893-Y896 VanDerWaalsContact O-N 3.16Å; Q893-W897 WeakPolarHBondContact O-CB 3.28Å; Q893-W897 PolarHBondContact O-N 3.31Å
894	L	55.5	Low	50.1	Low	31 Å²	31	92 Å²	92	16%	0.162	44%	0.441	C	S	.	.	H	α-helix	trans	-60.2	-41.8	178.9	-157.3	137.5	0	0	0	111.9	T890 V891 Q898	T890-L894 WeakPolarHBondContact O-CB 3.08Å; T890-L894 PolarHBondContact O-N 2.86Å; V891-L894 WeakPolarHBondContact O-CB 3.26Å; V891-L894 PolarHBondContact O-N 3.33Å; V891-L894 VanDerWaalsContact O-N 3.09Å; L894-Q898 PolarHBondContact O-N 3.48Å
895	F	53.8	Low	49.7	Very low	76 Å²	76	96.9 Å²	96.9	33%	0.333	46%	0.458	S	S	.	.	H	α-helix	trans	-68.1	-39.8	172.5	-78.6	-63	0	0	0	113.1	A860 L864 V891 S892 Q893 Q898 R899	A860-F895 HydrophobicContact CB-CZ 4.36Å; L864-F895 HydrophobicContact CD1-CE2 4.46Å; L864-F895 HydrophobicContact CD1-CZ 4.28Å; V891-F895 HydrophobicContact CG1-CD2 3.62Å; V891-F895 HydrophobicContact CG1-CE2 3.41Å; V891-F895 VanDerWaalsContact CG1-CE2 3.41Å; V891-F895 WeakPolarHBondContact O-CD2 3.43Å; V891-F895 PolarHBondContact O-N 2.87Å; S892-F895 PolarHBondContact O-N 2.85Å; Q893-F895 VanDerWaalsContact C-N 3.32Å; Q893-F895 PolarHBondContact O-N 2.87Å; F895-Q898 PolarHBondContact O-N 2.9Å; F895-R899 WeakPolarHBondContact O-CB 3.37Å; F895-R899 PolarHBondContact O-N 2.87Å
896	Y	55.2	Low	49.8	Very low	149 Å²	149	98.6 Å²	98.6	58%	0.584	47%	0.469	S	S	*	.	H	α-helix	trans	-59.2	-48.8	173.5	177	-93.8	0	0	0	110.6	S892 Q893 Q898 R899 S900	S892-Y896 VanDerWaalsContact O-CB 3.28Å; S892-Y896 WeakPolarHBondContact O-CB 3.46Å; S892-Y896 PolarHBondContact O-N 3.12Å; Q893-Y896 WeakPolarHBondContact O-CB 3.34Å; Q893-Y896 PolarHBondContact O-N 3.22Å; Q893-Y896 VanDerWaalsContact O-N 3.16Å; Y896-Q898 VanDerWaalsContact C-N 3.33Å; Y896-Q898 PolarHBondContact O-N 3.18Å; Y896-R899 CarbonylContact O-C 3.57Å; Y896-R899 WeakPolarHBondContact O-CA 3.41Å; Y896-R899 WeakPolarHBondContact O-CB 3.25Å; Y896-R899 PolarHBondContact O-N 3.48Å; Y896-R899 VanDerWaalsContact O-N 3.07Å; Y896-S900 PolarHBondContact O-N 3.37Å; Y896-S900 PolarHBondContact O-OG 2.8Å
897	W	54.5	Low	49.8	Very low	122 Å²	122	97.3 Å²	97.3	46%	0.462	47%	0.465	S	S	.	.	H	α-helix	trans	-68	-27.5	177.6	-69.7	113.4	0	0	0	113.2	Q893 T901 R915	Q893-W897 WeakPolarHBondContact O-CB 3.28Å; Q893-W897 PolarHBondContact O-N 3.31Å; W897-T901 PolarHBondContact O-OG1 3.27Å; W897-R915 PolarHBondContact O-NH2 3.24Å
898	Q	55.9	Low	50.1	Low	67 Å²	67	98.1 Å²	98.1	31%	0.313	47%	0.474	S	S	.	.	H	α-helix	trans	-70.4	-36.5	168.7	-86.3	-177.6	-32.7	0	0	111.7	D857 L894 F895 Y896 T901	D857-Q898 PolarHBondContact OD1-NE2 3.39Å; L894-Q898 PolarHBondContact O-N 3.48Å; F895-Q898 PolarHBondContact O-N 2.9Å; Y896-Q898 VanDerWaalsContact C-N 3.33Å; Y896-Q898 PolarHBondContact O-N 3.18Å; Q898-T901 PolarHBondContact O-OG1 2.99Å
899	R	51.8	Low	50.2	Low	191 Å²	191	101.1 Å²	101.1	72%	0.721	49%	0.493	S	S	*	.	H	α-helix	trans	-71.4	-42.3	175.9	-96.4	-179.7	165.1	143.6	-4.6	112.7	F895 Y896 T901 R902	F895-R899 WeakPolarHBondContact O-CB 3.37Å; F895-R899 PolarHBondContact O-N 2.87Å; Y896-R899 CarbonylContact O-C 3.57Å; Y896-R899 WeakPolarHBondContact O-CA 3.41Å; Y896-R899 WeakPolarHBondContact O-CB 3.25Å; Y896-R899 PolarHBondContact O-N 3.48Å; Y896-R899 VanDerWaalsContact O-N 3.07Å; R899-T901 PolarHBondContact O-N 3.34Å; R899-R902 VanDerWaalsContact O-CB 3.3Å; R899-R902 WeakPolarHBondContact O-CB 3.5Å; R899-R902 WeakPolarHBondContact O-CG 3.37Å; R899-R902 PolarHBondContact O-N 3.1Å
900	S	52.3	Low	50.2	Low	47 Å²	47	96.6 Å²	96.6	33%	0.329	49%	0.486	S	S	.	.	H	α-helix	trans	-65.9	-21.4	-179.1	-66.6	0	0	0	0	113.8	Y896 R902 V903	Y896-S900 PolarHBondContact O-N 3.37Å; Y896-S900 PolarHBondContact O-OG 2.8Å; S900-R902 PolarHBondContact O-N 3.4Å; S900-V903 PolarHBondContact O-N 2.82Å
901	T	48.7	Very low	50.2	Low	76 Å²	76	99.7 Å²	99.7	47%	0.466	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-4.9	169.3	12.2	0	0	0	0	114.9	W897 Q898 R899 R915	W897-T901 PolarHBondContact O-OG1 3.27Å; Q898-T901 PolarHBondContact O-OG1 2.99Å; R899-T901 PolarHBondContact O-N 3.34Å; T901-R915 PolarHBondContact OG1-NH2 2.92Å
902	R	44	Very low	50.1	Low	133 Å²	133	101.3 Å²	101.3	50%	0.502	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-6.9	175.5	-62.8	-179.4	177.1	-161.5	-4.9	113.7	R629 R899 S900	R629-R902 VanDerWaalsContact CZ-NH1 3.3Å; R629-R902 VanDerWaalsContact NE-NH1 3.11Å; R629-R902 VanDerWaalsContact NE-NH2 3.14Å; R899-R902 VanDerWaalsContact O-CB 3.3Å; R899-R902 WeakPolarHBondContact O-CB 3.5Å; R899-R902 WeakPolarHBondContact O-CG 3.37Å; R899-R902 PolarHBondContact O-N 3.1Å; S900-R902 PolarHBondContact O-N 3.4Å
903	V	37.3	Very low	50.1	Low	97 Å²	97	105 Å²	105	59%	0.588	52%	0.515	S	S	*	.	S	Bend	trans	-98.3	126.5	176.3	-175.1	0	0	0	0	108	S900 L905	S900-V903 PolarHBondContact O-N 2.82Å; V903-L905 HydrophobicContact CG1-CD1 4.21Å; V903-L905 PolarHBondContact O-N 3.1Å
904	Y	37.5	Very low	50.1	Low	222 Å²	222	105.6 Å²	105.6	87%	0.871	52%	0.521	S	S	*	.			trans	-66.7	70.5	-178.2	-79.6	-96.7	0	0	0	112.2
905	L	37.7	Very low	50.3	Low	137 Å²	137	106.8 Å²	106.8	72%	0.717	52%	0.524	S	S	*	.			trans	-124.1	123.7	171.3	-81.4	161.9	0	0	0	109.8	V903 L907	V903-L905 HydrophobicContact CG1-CD1 4.21Å; V903-L905 PolarHBondContact O-N 3.1Å; L905-L907 PolarHBondContact O-N 3.2Å
906	P	45.9	Very low	50.5	Low	127 Å²	127	104.8 Å²	104.8	83%	0.825	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-62.1	125.2	173.7	-14.9	27.4	0	0	0	110.2
907	L	51.5	Low	50.6	Low	84 Å²	84	102.4 Å²	102.4	44%	0.44	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-78	138.2	171.9	-76.6	149	0	0	0	109.5	L905 Q911	L905-L907 PolarHBondContact O-N 3.2Å; L907-Q911 HydrophobicContact CB-CB 4.39Å; L907-Q911 HydrophobicContact CD2-CB 3.74Å
908	T	55.1	Low	50.8	Low	76 Å²	76	99.8 Å²	99.8	47%	0.466	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-68.3	154.8	170.2	66.7	0	0	0	0	110.8	V910 Q911 A912	T908-V910 PolarHBondContact O-N 3.29Å; T908-V910 VanDerWaalsContact O-N 3.14Å; T908-Q911 WeakPolarHBondContact O-CB 3.38Å; T908-Q911 PolarHBondContact O-N 3.4Å; T908-Q911 VanDerWaalsContact OG1-CG 3.25Å; T908-Q911 WeakPolarHBondContact OG1-CG 3.46Å; T908-Q911 PolarHBondContact OG1-N 3.27Å; T908-Q911 PolarHBondContact OG1-OE1 3.01Å; T908-A912 PolarHBondContact O-N 3.44Å
909	S	51.3	Low	50.8	Low	93 Å²	93	99 Å²	99	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-55.6	-32.7	178.7	62	0	0	0	0	112.9	A912 R913	S909-A912 PolarHBondContact O-N 3.38Å; S909-R913 PolarHBondContact O-N 3.25Å
910	V	50.8	Low	51	Low	89 Å²	89	91.5 Å²	91.5	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-69.1	-43.6	175.4	-178.4	0	0	0	0	111.2	T908 A912 R913 N914	T908-V910 PolarHBondContact O-N 3.29Å; T908-V910 VanDerWaalsContact O-N 3.14Å; V910-A912 VanDerWaalsContact C-N 3.3Å; V910-A912 PolarHBondContact O-N 2.96Å; V910-R913 PolarHBondContact O-N 3.35Å; V910-N914 WeakPolarHBondContact O-CB 3.26Å; V910-N914 PolarHBondContact O-N 3.23Å
911	Q	53.4	Low	51.4	Low	95 Å²	95	93.4 Å²	93.4	44%	0.444	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-36.6	175.4	-71.4	168.7	-15.9	0	0	111.5	L907 T908 R915	L907-Q911 HydrophobicContact CB-CB 4.39Å; L907-Q911 HydrophobicContact CD2-CB 3.74Å; T908-Q911 WeakPolarHBondContact O-CB 3.38Å; T908-Q911 PolarHBondContact O-N 3.4Å; T908-Q911 VanDerWaalsContact OG1-CG 3.25Å; T908-Q911 WeakPolarHBondContact OG1-CG 3.46Å; T908-Q911 PolarHBondContact OG1-N 3.27Å; T908-Q911 PolarHBondContact OG1-OE1 3.01Å; Q911-R915 VanDerWaalsContact O-CB 3.29Å; Q911-R915 WeakPolarHBondContact O-CB 3.13Å; Q911-R915 PolarHBondContact O-N 3.45Å; Q911-R915 VanDerWaalsContact O-N 3.11Å
912	A	51	Low	51.7	Low	50 Å²	50	91.1 Å²	91.1	41%	0.413	46%	0.463	S	S	.	.	H	α-helix	trans	-65.2	-46.3	174.5	0	0	0	0	0	112.4	T908 S909 V910 R915 H916	T908-A912 PolarHBondContact O-N 3.44Å; S909-A912 PolarHBondContact O-N 3.38Å; V910-A912 VanDerWaalsContact C-N 3.3Å; V910-A912 PolarHBondContact O-N 2.96Å; A912-R915 PolarHBondContact O-N 3.47Å; A912-H916 WeakPolarHBondContact O-CB 3.17Å; A912-H916 PolarHBondContact O-N 3.48Å
913	R	53.6	Low	52.2	Low	152 Å²	152	86.2 Å²	86.2	57%	0.574	45%	0.446	S	S	*	.	H	α-helix	trans	-63.7	-44.3	176	-84.4	-175.5	178.8	156.4	1.5	113.2	S909 V910 R915 H916 N917 E1010	S909-R913 PolarHBondContact O-N 3.25Å; V910-R913 PolarHBondContact O-N 3.35Å; R913-R915 VanDerWaalsContact C-N 3.3Å; R913-R915 PolarHBondContact O-N 3.43Å; R913-H916 WeakPolarHBondContact O-CB 3.15Å; R913-H916 PolarHBondContact O-N 2.76Å; R913-N917 PolarHBondContact O-N 3.15Å; R913-E1010 IonicContact NE-OE1 2.68Å; R913-E1010 PolarHBondContact NE-OE1 3.02Å; R913-E1010 IonicContact NH2-OE1 2.74Å
914	N	56.4	Low	53	Low	103 Å²	103	88.6 Å²	88.6	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-61.5	-40.5	177.7	-74.2	-15.4	0	0	0	111.6	V910 F918	V910-N914 WeakPolarHBondContact O-CB 3.26Å; V910-N914 PolarHBondContact O-N 3.23Å; N914-F918 WeakPolarHBondContact O-CB 3.46Å; N914-F918 PolarHBondContact O-N 3.12Å
915	R	58.4	Low	53.9	Low	56 Å²	56	84.2 Å²	84.2	21%	0.211	43%	0.43	C	S	.	.	H	α-helix	trans	-63.9	-40.1	175	-169.5	179.5	-172.7	-166.8	4.2	112.3	W897 T901 Q911 A912 R913 K919	W897-R915 PolarHBondContact O-NH2 3.24Å; T901-R915 PolarHBondContact OG1-NH2 2.92Å; Q911-R915 VanDerWaalsContact O-CB 3.29Å; Q911-R915 WeakPolarHBondContact O-CB 3.13Å; Q911-R915 PolarHBondContact O-N 3.45Å; Q911-R915 VanDerWaalsContact O-N 3.11Å; A912-R915 PolarHBondContact O-N 3.47Å; R913-R915 VanDerWaalsContact C-N 3.3Å; R913-R915 PolarHBondContact O-N 3.43Å; R915-K919 WeakPolarHBondContact O-CG 3.45Å; R915-K919 PolarHBondContact O-N 3.4Å; R915-K919 VanDerWaalsContact O-N 3.11Å
916	H	57.8	Low	54.6	Low	35 Å²	35	79.1 Å²	79.1	16%	0.162	40%	0.402	C	S	.	.	H	α-helix	trans	-65.9	-49	178.1	177.7	94.3	0	0	0	111.6	A912 R913 F918 K919 L920 F1006	A912-H916 WeakPolarHBondContact O-CB 3.17Å; A912-H916 PolarHBondContact O-N 3.48Å; R913-H916 WeakPolarHBondContact O-CB 3.15Å; R913-H916 PolarHBondContact O-N 2.76Å; H916-F918 VanDerWaalsContact C-N 3.29Å; H916-F918 PolarHBondContact O-N 3.47Å; H916-K919 PolarHBondContact O-N 3.11Å; H916-L920 VanDerWaalsContact CD2-CD1 3.47Å; H916-L920 WeakPolarHBondContact CD2-CD1 3.33Å; H916-L920 WeakPolarHBondContact NE2-CD1 3.25Å; H916-L920 PolarHBondContact O-N 3.36Å; H916-F1006 WeakPolarHBondContact CE1-CB 3.44Å; H916-F1006 AromaticContact CE1-CD2 3.72Å; H916-F1006 AromaticContact CE1-CG 3.61Å; H916-F1006 WeakPolarHBondContact ND1-CB 3.43Å; H916-F1006 AromaticContact ND1-CD2 3.67Å; H916-F1006 AromaticContact ND1-CG 3.46Å; H916-F1006 WeakPolarHBondContact ND1-CG 3.47Å
917	N	57	Low	54.9	Low	99 Å²	99	75.3 Å²	75.3	53%	0.529	37%	0.371	S	S	.	.	H	α-helix	trans	-60	-38.4	176.4	-75.9	-24.2	0	0	0	112.4	R913 L920 H921	R913-N917 PolarHBondContact O-N 3.15Å; N917-L920 PolarHBondContact O-N 3.49Å; N917-H921 WeakPolarHBondContact O-CB 3.48Å; N917-H921 PolarHBondContact O-N 3.46Å
918	F	59.2	Low	54.9	Low	67 Å²	67	78.1 Å²	78.1	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-66.2	-44.1	176.5	-175.8	-98.6	0	0	0	113	T890 N914 H916 L920 H921 M922	T890-F918 HydrophobicContact CG2-CE1 4.3Å; T890-F918 HydrophobicContact CG2-CE2 4.25Å; T890-F918 HydrophobicContact CG2-CZ 3.49Å; T890-F918 VanDerWaalsContact CG2-CZ 3.49Å; N914-F918 WeakPolarHBondContact O-CB 3.46Å; N914-F918 PolarHBondContact O-N 3.12Å; H916-F918 VanDerWaalsContact C-N 3.29Å; H916-F918 PolarHBondContact O-N 3.47Å; F918-L920 VanDerWaalsContact C-N 3.33Å; F918-L920 PolarHBondContact O-N 3.25Å; F918-H921 WeakPolarHBondContact O-CB 3.14Å; F918-H921 PolarHBondContact O-N 3.38Å; F918-M922 HydrophobicContact CD1-CG 4.32Å; F918-M922 HydrophobicContact CE1-CG 3.97Å; F918-M922 HydrophobicContact CZ-CG 4.19Å; F918-M922 WeakPolarHBondContact O-CG 3.18Å; F918-M922 PolarHBondContact O-N 2.86Å
919	K	56.3	Low	54.7	Low	50 Å²	50	78.8 Å²	78.8	22%	0.217	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-43.9	174.9	-74.4	179.1	-179.7	-175.5	0	111.6	R915 H916 M922 L923 F1006	R915-K919 WeakPolarHBondContact O-CG 3.45Å; R915-K919 PolarHBondContact O-N 3.4Å; R915-K919 VanDerWaalsContact O-N 3.11Å; H916-K919 PolarHBondContact O-N 3.11Å; K919-M922 PolarHBondContact O-N 3.34Å; K919-L923 WeakPolarHBondContact O-CG 3.4Å; K919-L923 PolarHBondContact O-N 2.85Å; K919-L923 VanDerWaalsContact O-N 3.12Å; K919-F1006 HydrophobicContact CD-CE2 4.47Å; K919-F1006 HydrophobicContact CD-CZ 4.07Å
920	L	56.7	Low	54.5	Low	34 Å²	34	78.1 Å²	78.1	18%	0.178	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-41.7	174.9	-97.8	135.5	0	0	0	112.6	H916 N917 F918 M922 L923 R924 Y999 N1003	H916-L920 VanDerWaalsContact CD2-CD1 3.47Å; H916-L920 WeakPolarHBondContact CD2-CD1 3.33Å; H916-L920 WeakPolarHBondContact NE2-CD1 3.25Å; H916-L920 PolarHBondContact O-N 3.36Å; N917-L920 PolarHBondContact O-N 3.49Å; F918-L920 VanDerWaalsContact C-N 3.33Å; F918-L920 PolarHBondContact O-N 3.25Å; L920-M922 VanDerWaalsContact C-N 3.34Å; L920-M922 PolarHBondContact O-N 2.97Å; L920-L923 PolarHBondContact O-N 3.34Å; L920-R924 WeakPolarHBondContact O-CB 3.37Å; L920-R924 PolarHBondContact O-N 2.84Å; L920-Y999 HydrophobicContact CD2-CD2 4.2Å; L920-Y999 HydrophobicContact CD2-CG 4.44Å; L920-N1003 HydrophobicContact CD2-CB 4.47Å
921	H	59.3	Low	54.2	Low	86 Å²	86	80.8 Å²	80.8	40%	0.398	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-42.9	176.2	-179	83.2	0	0	0	111.9	N917 F918 R924 K925	N917-H921 WeakPolarHBondContact O-CB 3.48Å; N917-H921 PolarHBondContact O-N 3.46Å; F918-H921 WeakPolarHBondContact O-CB 3.14Å; F918-H921 PolarHBondContact O-N 3.38Å; H921-R924 PolarHBondContact O-N 3.33Å; H921-K925 WeakPolarHBondContact NE2-CD 3.31Å; H921-K925 WeakPolarHBondContact NE2-CE 3.4Å; H921-K925 PolarHBondContact NE2-NZ 2.97Å; H921-K925 VanDerWaalsContact NE2-NZ 3.2Å; H921-K925 PolarHBondContact O-N 3.3Å
922	M	55.6	Low	53.8	Low	29 Å²	29	81.9 Å²	81.9	14%	0.143	39%	0.385	C	S	.	.	H	α-helix	trans	-62.5	-49.5	177.7	-80.6	-64.7	-78.7	0	0	112.5	T890 F918 K919 L920 R924 K925 F926	T890-M922 HydrophobicContact CG2-CE 3.47Å; T890-M922 VanDerWaalsContact CG2-CE 3.47Å; T890-M922 HydrophobicContact CG2-CG 4.22Å; T890-M922 HydrophobicContact CG2-SD 3.22Å; T890-M922 WeakPolarHBondContact CG2-SD 3.36Å; F918-M922 HydrophobicContact CD1-CG 4.32Å; F918-M922 HydrophobicContact CE1-CG 3.97Å; F918-M922 HydrophobicContact CZ-CG 4.19Å; F918-M922 WeakPolarHBondContact O-CG 3.18Å; F918-M922 PolarHBondContact O-N 2.86Å; K919-M922 PolarHBondContact O-N 3.34Å; L920-M922 VanDerWaalsContact C-N 3.34Å; L920-M922 PolarHBondContact O-N 2.97Å; M922-R924 VanDerWaalsContact C-N 3.27Å; M922-R924 PolarHBondContact O-N 3.45Å; M922-K925 PolarHBondContact O-N 2.66Å; M922-F926 PolarHBondContact O-N 3.23Å
923	L	54	Low	53.5	Low	30 Å²	30	83.7 Å²	83.7	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-59.5	-39	175.9	-71	168	0	0	0	111.5	M856 F859 K919 L920 W927 V1002	M856-L923 HydrophobicContact SD-CD1 4.44Å; F859-L923 HydrophobicContact CD2-CD2 4.41Å; F859-L923 HydrophobicContact CG-CD2 4.44Å; K919-L923 WeakPolarHBondContact O-CG 3.4Å; K919-L923 PolarHBondContact O-N 2.85Å; K919-L923 VanDerWaalsContact O-N 3.12Å; L920-L923 PolarHBondContact O-N 3.34Å; L923-W927 PolarHBondContact O-N 3.33Å; L923-V1002 HydrophobicContact CD1-CG1 4.27Å
924	R	55.5	Low	52.8	Low	146 Å²	146	86 Å²	86	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-66.7	-37.6	177.5	-173.7	-176.7	-87.9	177.1	-6	112.8	L920 H921 M922 K928	L920-R924 WeakPolarHBondContact O-CB 3.37Å; L920-R924 PolarHBondContact O-N 2.84Å; H921-R924 PolarHBondContact O-N 3.33Å; M922-R924 VanDerWaalsContact C-N 3.27Å; M922-R924 PolarHBondContact O-N 3.45Å; R924-K928 WeakPolarHBondContact O-CG 3.37Å; R924-K928 PolarHBondContact O-N 3.04Å
925	K	55.9	Low	52.1	Low	130 Å²	130	87 Å²	87	57%	0.565	42%	0.419	S	S	*	.	H	α-helix	trans	-72.5	-41.3	178.1	-93.2	-173.8	173	168.5	0	112.8	H921 M922 W927 K928	H921-K925 WeakPolarHBondContact NE2-CD 3.31Å; H921-K925 WeakPolarHBondContact NE2-CE 3.4Å; H921-K925 PolarHBondContact NE2-NZ 2.97Å; H921-K925 VanDerWaalsContact NE2-NZ 3.2Å; H921-K925 PolarHBondContact O-N 3.3Å; M922-K925 PolarHBondContact O-N 2.66Å; K925-W927 VanDerWaalsContact C-N 3.32Å; K925-W927 PolarHBondContact O-N 2.97Å; K925-K928 PolarHBondContact O-N 3.43Å
926	F	52.4	Low	51.2	Low	31 Å²	31	92 Å²	92	14%	0.136	45%	0.45	C	S	.	.	H	α-helix	trans	-59.5	-45.7	177.4	-174.7	-110.9	0	0	0	110.9	L863 M922 K928 K929 H944	L863-F926 HydrophobicContact CD2-CD2 3.16Å; L863-F926 HydrophobicContact CD2-CE2 3.23Å; L863-F926 HydrophobicContact CD2-CG 4Å; L863-F926 HydrophobicContact CD2-CZ 4.13Å; L863-F926 HydrophobicContact CG-CD2 3.86Å; L863-F926 HydrophobicContact CG-CE2 3.66Å; L863-F926 HydrophobicContact CG-CG 4.41Å; L863-F926 HydrophobicContact CG-CZ 4.07Å; M922-F926 PolarHBondContact O-N 3.23Å; F926-K928 PolarHBondContact O-N 3.43Å; F926-K929 PolarHBondContact O-N 3.35Å; F926-H944 AromaticContact CE1-CD2 3.64Å; F926-H944 AromaticContact CE1-NE2 3.76Å; F926-H944 AromaticContact CZ-NE2 3.62Å
927	W	52.8	Low	50.6	Low	47 Å²	47	97.7 Å²	97.7	18%	0.178	48%	0.482	C	S	.	.	H	α-helix	trans	-68.2	-31.5	-178.3	-158.7	-87.4	0	0	0	114.9	L923 K925 K929 H944 G945 P997 P998	L923-W927 PolarHBondContact O-N 3.33Å; K925-W927 VanDerWaalsContact C-N 3.32Å; K925-W927 PolarHBondContact O-N 2.97Å; W927-K929 PolarHBondContact O-N 3.28Å; W927-H944 HydrophobicContact CE3-CB 4.34Å; W927-H944 HydrophobicContact CH2-CB 4.13Å; W927-H944 HydrophobicContact CZ3-CB 3.68Å; W927-G945 VanDerWaalsContact CH2-CA 3.43Å; W927-P997 HydrophobicContact CD2-CB 4.07Å; W927-P997 HydrophobicContact CG-CB 4.05Å; W927-P997 HydrophobicContact CG-CG 4.28Å; W927-P998 HydrophobicContact CE3-CG 4.37Å; W927-P998 HydrophobicContact CH2-CG 3.29Å; W927-P998 HydrophobicContact CZ2-CG 4.08Å; W927-P998 HydrophobicContact CZ3-CG 3.51Å
928	K	51.3	Low	49.8	Very low	142 Å²	142	101 Å²	101	62%	0.617	50%	0.499	S	S	*	.	H	α-helix	trans	-69.9	-16	178.3	-82.6	-170.8	173.5	-164.9	0	113.4	R924 K925 F926	R924-K928 WeakPolarHBondContact O-CG 3.37Å; R924-K928 PolarHBondContact O-N 3.04Å; K925-K928 PolarHBondContact O-N 3.43Å; F926-K928 PolarHBondContact O-N 3.43Å
929	K	50	Low	49.3	Very low	91 Å²	91	105.5 Å²	105.5	40%	0.396	53%	0.526	S	S	.	.	H	α-helix	trans	-80.5	-28.5	-175.3	-157.1	176.4	178	-175.9	0	112.9	T883 F926 W927 Q931 T932	T883-K929 PolarHBondContact OG1-NZ 3.33Å; F926-K929 PolarHBondContact O-N 3.35Å; W927-K929 PolarHBondContact O-N 3.28Å; K929-Q931 VanDerWaalsContact C-N 3.35Å; K929-T932 PolarHBondContact O-OG1 3.23Å
930	D	46.7	Very low	48.7	Very low	78 Å²	78	112.2 Å²	112.2	42%	0.417	56%	0.558	S	S	.	*	H	α-helix	trans	-73.7	-23	177.7	-85.5	4.1	0	0	0	113.9	T932 H944	D930-T932 PolarHBondContact O-N 2.99Å; D930-H944 IonicContact OD1-NE2 3.13Å; D930-H944 IonicContact OD2-CD2 3.32Å; D930-H944 PolarHBondContact OD2-CD2 3.04Å; D930-H944 IonicContact OD2-CG 3.96Å; D930-H944 IonicContact OD2-NE2 3.75Å; D930-H944 PolarHBondContact OD2-NE2 3.3Å
931	Q	44.3	Very low	48.1	Very low	145 Å²	145	116 Å²	116	68%	0.678	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-5	-179.6	-69.6	-172.8	-16.6	0	0	113.6	K929	K929-Q931 VanDerWaalsContact C-N 3.35Å
932	T	46	Very low	47.8	Very low	118 Å²	118	116.1 Å²	116.1	72%	0.724	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-0.3	-172.9	52.2	0	0	0	0	115.4	K929 D930	K929-T932 PolarHBondContact O-OG1 3.23Å; D930-T932 PolarHBondContact O-N 2.99Å
933	S	43.5	Very low	48	Very low	89 Å²	89	117.9 Å²	117.9	62%	0.622	60%	0.598	S	S	*	*			trans	-108	73	172.3	62.7	0	0	0	0	111.1	T935	S933-T935 PolarHBondContact O-N 3.16Å
934	K	38.8	Very low	48	Very low	201 Å²	201	118 Å²	118	87%	0.874	60%	0.598	S	S	*	*			trans	-84.1	99.8	157.9	-79.1	-174.4	172.8	-172.4	0	107.2
935	T	43.1	Very low	47.9	Very low	122 Å²	122	111.1 Å²	111.1	75%	0.748	57%	0.572	S	S	*	*			trans	-119.5	122.8	161.8	44.5	0	0	0	0	106.4	S933 D937	S933-T935 PolarHBondContact O-N 3.16Å; T935-D937 PolarHBondContact O-N 3Å; T935-D937 VanDerWaalsContact O-N 3.16Å
936	D	38.5	Very low	47.9	Very low	163 Å²	163	108.2 Å²	108.2	87%	0.872	56%	0.56	S	S	*	*			trans	-56.3	108.3	178.9	-64.4	-45.5	0	0	0	110.2
937	D	46.3	Very low	48.2	Very low	154 Å²	154	109.3 Å²	109.3	82%	0.824	57%	0.567	S	S	*	*			trans	-162.4	129.3	156.5	-93.4	-34	0	0	0	107.7	T935 L939	T935-D937 PolarHBondContact O-N 3Å; T935-D937 VanDerWaalsContact O-N 3.16Å; D937-L939 PolarHBondContact O-N 2.71Å
938	D	40.3	Very low	48.3	Very low	167 Å²	167	107.4 Å²	107.4	89%	0.893	56%	0.56	S	S	*	*	S	Bend	trans	-65.4	76.9	-168.8	-68.1	-51.6	0	0	0	113.9
939	L	48.4	Very low	48.6	Very low	162 Å²	162	101.1 Å²	101.1	85%	0.848	53%	0.534	S	S	*	.	S	Bend	trans	-172	95.6	158.9	-96.9	135.5	0	0	0	107.4	D937 P941	D937-L939 PolarHBondContact O-N 2.71Å; L939-P941 WeakPolarHBondContact O-CD 3.3Å; L939-P941 VanDerWaalsContact O-N 3.14Å
940	E	43.2	Very low	49.1	Very low	191 Å²	191	103.5 Å²	103.5	89%	0.893	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-57.9	120.6	178.4	-74.5	-150.5	157.1	0	0	110	E942	E940-E942 PolarHBondContact O-N 2.95Å
941	P	44.3	Very low	50	Low	114 Å²	114	102.6 Å²	102.6	74%	0.74	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-66.4	130.3	178.2	25.3	-31.3	0	0	0	109.5	L939 T943	L939-P941 WeakPolarHBondContact O-CD 3.3Å; L939-P941 VanDerWaalsContact O-N 3.14Å; P941-T943 PolarHBondContact O-N 3.11Å; P941-T943 VanDerWaalsContact O-N 3.12Å
942	E	53.9	Low	50.7	Low	88 Å²	88	96.3 Å²	96.3	41%	0.411	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-48.1	122	176.8	-70.6	-174.7	176.3	0	0	109.9	E940 E946 I947 R950	E940-E942 PolarHBondContact O-N 2.95Å; E942-E946 WeakPolarHBondContact CA-OE2 3.28Å; E942-I947 HydrophobicContact CB-CD1 4.48Å; E942-I947 HydrophobicContact CB-CG1 4.02Å; E942-R950 IonicContact OE1-CZ 2.97Å; E942-R950 IonicContact OE1-NH1 2.99Å; E942-R950 PolarHBondContact OE1-NH1 3.24Å; E942-R950 IonicContact OE1-NH2 2.91Å; E942-R950 PolarHBondContact OE1-NH2 3.19Å; E942-R950 IonicContact OE2-CZ 3.08Å; E942-R950 IonicContact OE2-NH1 2.61Å; E942-R950 PolarHBondContact OE2-NH1 2.87Å; E942-R950 VanDerWaalsContact OE2-NH1 3.13Å
943	T	59.3	Low	51.5	Low	67 Å²	67	93.2 Å²	93.2	41%	0.411	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-60.9	145.7	-179.6	61.8	0	0	0	0	108.6	P941 G945 E946 I947	P941-T943 PolarHBondContact O-N 3.11Å; P941-T943 VanDerWaalsContact O-N 3.12Å; T943-G945 PolarHBondContact O-N 2.79Å; T943-E946 PolarHBondContact N-OE2 3.34Å; T943-E946 PolarHBondContact O-N 2.85Å; T943-E946 WeakPolarHBondContact OG1-CG 3.47Å; T943-E946 PolarHBondContact OG1-OE2 2.86Å; T943-I947 PolarHBondContact O-N 3.43Å
944	H	53.8	Low	52.6	Low	33 Å²	33	95.4 Å²	95.4	15%	0.153	48%	0.479	C	S	.	.	H	α-helix	trans	-50.9	-17.5	176.7	-80.1	-37.6	0	0	0	114.1	F926 W927 D930 F948	F926-H944 AromaticContact CE1-CD2 3.64Å; F926-H944 AromaticContact CE1-NE2 3.76Å; F926-H944 AromaticContact CZ-NE2 3.62Å; W927-H944 HydrophobicContact CE3-CB 4.34Å; W927-H944 HydrophobicContact CH2-CB 4.13Å; W927-H944 HydrophobicContact CZ3-CB 3.68Å; D930-H944 IonicContact OD1-NE2 3.13Å; D930-H944 IonicContact OD2-CD2 3.32Å; D930-H944 PolarHBondContact OD2-CD2 3.04Å; D930-H944 IonicContact OD2-CG 3.96Å; D930-H944 IonicContact OD2-NE2 3.75Å; D930-H944 PolarHBondContact OD2-NE2 3.3Å; H944-F948 WeakPolarHBondContact O-CB 3.2Å; H944-F948 PolarHBondContact O-N 2.87Å
945	G	52.2	Low	53.7	Low	1 Å²	1	87 Å²	87	1%	0.01	44%	0.442	C	S	.	.	H	α-helix	trans	-77.4	-42.3	175.5	0	0	0	0	0	113.8	W927 T943 I947 F948 C949	W927-G945 VanDerWaalsContact CH2-CA 3.43Å; T943-G945 PolarHBondContact O-N 2.79Å; G945-I947 VanDerWaalsContact C-N 3.33Å; G945-F948 PolarHBondContact O-N 3.04Å; G945-C949 PolarHBondContact O-N 3.23Å
946	E	56.6	Low	54.5	Low	69 Å²	69	81.4 Å²	81.4	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-42.7	175.3	-68.3	167.3	150.2	0	0	110.3	E942 T943 F948 C949 R950 W985	E942-E946 WeakPolarHBondContact CA-OE2 3.28Å; T943-E946 PolarHBondContact N-OE2 3.34Å; T943-E946 PolarHBondContact O-N 2.85Å; T943-E946 WeakPolarHBondContact OG1-CG 3.47Å; T943-E946 PolarHBondContact OG1-OE2 2.86Å; E946-F948 VanDerWaalsContact C-N 3.3Å; E946-F948 PolarHBondContact O-N 2.85Å; E946-C949 PolarHBondContact O-N 3.03Å; E946-R950 PolarHBondContact O-N 2.81Å; E946-W985 HydrophobicContact CG-CH2 3.68Å; E946-W985 HydrophobicContact CG-CZ3 4.02Å
947	I	58.9	Low	55.8	Low	53 Å²	53	77.5 Å²	77.5	27%	0.272	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-43.2	175.2	-54.2	177.4	0	0	0	110.4	Y858 E942 T943 G945 F951	Y858-I947 WeakPolarHBondContact OH-CG2 3.4Å; E942-I947 HydrophobicContact CB-CD1 4.48Å; E942-I947 HydrophobicContact CB-CG1 4.02Å; T943-I947 PolarHBondContact O-N 3.43Å; G945-I947 VanDerWaalsContact C-N 3.33Å; I947-F951 WeakPolarHBondContact O-CB 3.27Å; I947-F951 PolarHBondContact O-N 3.44Å
948	F	54.9	Low	56.7	Low	7 Å²	7	76.2 Å²	76.2	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-66.7	-43.5	177	176.2	-98.7	0	0	0	112.5	A855 F859 H944 G945 E946 F951 H952 M981	A855-F948 HydrophobicContact CB-CE2 3.68Å; A855-F948 HydrophobicContact CB-CZ 4.11Å; F859-F948 AromaticContact CE2-CD2 4Å; F859-F948 HydrophobicContact CE2-CD2 4Å; F859-F948 AromaticContact CE2-CE2 4Å; F859-F948 HydrophobicContact CE2-CE2 4Å; F859-F948 HydrophobicContact CZ-CB 4.5Å; F859-F948 AromaticContact CZ-CD2 3.72Å; F859-F948 HydrophobicContact CZ-CD2 3.72Å; F859-F948 HydrophobicContact CZ-CE2 4.16Å; F859-F948 HydrophobicContact CZ-CG 4.08Å; H944-F948 WeakPolarHBondContact O-CB 3.2Å; H944-F948 PolarHBondContact O-N 2.87Å; G945-F948 PolarHBondContact O-N 3.04Å; E946-F948 VanDerWaalsContact C-N 3.3Å; E946-F948 PolarHBondContact O-N 2.85Å; F948-F951 HydrophobicContact CD2-CD1 4.45Å; F948-F951 PolarHBondContact O-N 3.2Å; F948-H952 WeakPolarHBondContact O-CB 3.28Å; F948-H952 PolarHBondContact O-N 3.07Å; F948-M981 HydrophobicContact CE1-CE 4.3Å
949	C	56.8	Low	57.4	Low	10 Å²	10	71.6 Å²	71.6	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-46.4	178.6	-79.4	0	0	0	0	110.9	G945 E946 F951 H952 E953	G945-C949 PolarHBondContact O-N 3.23Å; E946-C949 PolarHBondContact O-N 3.03Å; C949-F951 VanDerWaalsContact C-N 3.34Å; C949-F951 PolarHBondContact O-N 3.15Å; C949-H952 PolarHBondContact O-N 3.36Å; C949-H952 VanDerWaalsContact O-N 3.14Å; C949-E953 WeakPolarHBondContact O-CB 3.13Å; C949-E953 WeakPolarHBondContact O-CG 3.34Å; C949-E953 PolarHBondContact O-N 3.47Å
950	R	61.7	Low	58.1	Low	142 Å²	142	64.8 Å²	64.8	54%	0.536	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-41.5	174.7	-74.1	-171.9	-177.9	165.4	8.9	112.5	E942 E946 H952 K954	E942-R950 IonicContact OE1-CZ 2.97Å; E942-R950 IonicContact OE1-NH1 2.99Å; E942-R950 PolarHBondContact OE1-NH1 3.24Å; E942-R950 IonicContact OE1-NH2 2.91Å; E942-R950 PolarHBondContact OE1-NH2 3.19Å; E942-R950 IonicContact OE2-CZ 3.08Å; E942-R950 IonicContact OE2-NH1 2.61Å; E942-R950 PolarHBondContact OE2-NH1 2.87Å; E942-R950 VanDerWaalsContact OE2-NH1 3.13Å; E946-R950 PolarHBondContact O-N 2.81Å; R950-H952 VanDerWaalsContact C-N 3.35Å; R950-K954 WeakPolarHBondContact O-CB 3.41Å; R950-K954 PolarHBondContact O-N 3.15Å
951	F	64.3	Low	59.2	Low	59 Å²	59	59.3 Å²	59.3	26%	0.259	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-46.4	173.3	165.2	-99.9	0	0	0	111.2	Y858 I947 F948 C949 W955	Y858-F951 HydrophobicContact CD2-CD2 4.15Å; Y858-F951 HydrophobicContact CD2-CE2 4.24Å; Y858-F951 HydrophobicContact CD2-CG 4.31Å; Y858-F951 HydrophobicContact CD2-CZ 4.47Å; Y858-F951 HydrophobicContact CE2-CD2 4.24Å; Y858-F951 HydrophobicContact CE2-CG 4.33Å; Y858-F951 HydrophobicContact CG-CD1 4.4Å; Y858-F951 HydrophobicContact CG-CE1 4.41Å; I947-F951 WeakPolarHBondContact O-CB 3.27Å; I947-F951 PolarHBondContact O-N 3.44Å; F948-F951 HydrophobicContact CD2-CD1 4.45Å; F948-F951 PolarHBondContact O-N 3.2Å; C949-F951 VanDerWaalsContact C-N 3.34Å; C949-F951 PolarHBondContact O-N 3.15Å; F951-W955 HydrophobicContact CE2-CB 4.42Å; F951-W955 HydrophobicContact CZ-CB 4.35Å; F951-W955 HydrophobicContact CZ-CG 4.35Å; F951-W955 WeakPolarHBondContact O-CB 3.45Å; F951-W955 PolarHBondContact O-N 3.14Å
952	H	60.4	Low	60.3	Low	13 Å²	13	63.3 Å²	63.3	6%	0.06	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-42.3	-178.6	-171.5	70.1	0	0	0	112.4	F948 C949 R950 W955 T956 M981	F948-H952 WeakPolarHBondContact O-CB 3.28Å; F948-H952 PolarHBondContact O-N 3.07Å; C949-H952 PolarHBondContact O-N 3.36Å; C949-H952 VanDerWaalsContact O-N 3.14Å; R950-H952 VanDerWaalsContact C-N 3.35Å; H952-W955 PolarHBondContact O-N 3.42Å; H952-T956 WeakPolarHBondContact O-CB 3.41Å; H952-T956 VanDerWaalsContact O-CG2 3.27Å; H952-T956 WeakPolarHBondContact O-CG2 3.4Å; H952-T956 PolarHBondContact O-N 2.89Å; H952-T956 PolarHBondContact O-OG1 3.16Å; H952-M981 HydrophobicContact CB-CE 3.77Å; H952-M981 WeakPolarHBondContact CD2-CE 3.16Å
953	E	62.6	Low	60.8	Low	53 Å²	53	66.7 Å²	66.7	25%	0.248	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-47.8	175	-73.2	177.7	134.6	0	0	111.3	C949 W955 T956 A957 N980 S982	C949-E953 WeakPolarHBondContact O-CB 3.13Å; C949-E953 WeakPolarHBondContact O-CG 3.34Å; C949-E953 PolarHBondContact O-N 3.47Å; E953-W955 VanDerWaalsContact C-N 3.34Å; E953-W955 PolarHBondContact O-N 3.38Å; E953-T956 WeakPolarHBondContact CA-OG1 3.49Å; E953-T956 PolarHBondContact O-N 3.07Å; E953-T956 PolarHBondContact O-OG1 2.93Å; E953-A957 VanDerWaalsContact O-CB 3.29Å; E953-A957 WeakPolarHBondContact O-CB 3.1Å; E953-A957 PolarHBondContact O-N 3.12Å; E953-N980 VanDerWaalsContact OE1-CG 3.31Å; E953-N980 PolarHBondContact OE1-ND2 2.89Å; E953-N980 PolarHBondContact OE1-OD1 2.9Å; E953-S982 WeakPolarHBondContact OE1-CB 3.5Å; E953-S982 PolarHBondContact OE1-OG 3.1Å
954	K	66.5	Low	61	Low	135 Å²	135	66.5 Å²	66.5	59%	0.587	32%	0.323	S	S	*	.	H	α-helix	trans	-61.5	-45.4	176.6	-176.2	171.9	-179.6	174.3	0	111	R950 A957 E958	R950-K954 WeakPolarHBondContact O-CB 3.41Å; R950-K954 PolarHBondContact O-N 3.15Å; K954-A957 PolarHBondContact O-N 3.43Å; K954-E958 WeakPolarHBondContact CE-OE1 3.31Å; K954-E958 VanDerWaalsContact CG-OE1 3.27Å; K954-E958 WeakPolarHBondContact CG-OE1 3.46Å; K954-E958 WeakPolarHBondContact O-CB 3.4Å; K954-E958 VanDerWaalsContact O-CG 3.27Å; K954-E958 WeakPolarHBondContact O-CG 3.39Å; K954-E958 PolarHBondContact O-N 3.13Å
955	W	61.9	Low	61.5	Low	23 Å²	23	66.4 Å²	66.4	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-42.9	-179.4	-175.8	78.6	0	0	0	112.3	N851 R854 F951 H952 E953 E958 N959 V960	N851-W955 HydrophobicContact CB-CZ3 4.47Å; N851-W955 VanDerWaalsContact CG-CZ3 3.48Å; N851-W955 WeakPolarHBondContact OD1-CH2 3.45Å; N851-W955 WeakPolarHBondContact OD1-CZ3 3.46Å; R854-W955 VanDerWaalsContact NH1-CE2 3.33Å; F951-W955 HydrophobicContact CE2-CB 4.42Å; F951-W955 HydrophobicContact CZ-CB 4.35Å; F951-W955 HydrophobicContact CZ-CG 4.35Å; F951-W955 WeakPolarHBondContact O-CB 3.45Å; F951-W955 PolarHBondContact O-N 3.14Å; H952-W955 PolarHBondContact O-N 3.42Å; E953-W955 VanDerWaalsContact C-N 3.34Å; E953-W955 PolarHBondContact O-N 3.38Å; W955-E958 PolarHBondContact O-N 3.4Å; W955-N959 VanDerWaalsContact CD1-ND2 3.27Å; W955-N959 HydrophobicContact CD2-CB 4.29Å; W955-N959 HydrophobicContact CH2-CB 4.14Å; W955-N959 HydrophobicContact CZ2-CB 3.62Å; W955-N959 VanDerWaalsContact NE1-CG 3.34Å; W955-N959 PolarHBondContact NE1-ND2 3.04Å; W955-N959 VanDerWaalsContact NE1-ND2 3.17Å; W955-N959 VanDerWaalsContact O-CB 3.26Å; W955-N959 WeakPolarHBondContact O-CB 3.35Å; W955-N959 PolarHBondContact O-N 2.88Å; W955-N959 PolarHBondContact O-ND2 3.28Å; W955-V960 HydrophobicContact CE3-CG2 4.47Å; W955-V960 HydrophobicContact CH2-CG2 3.78Å; W955-V960 HydrophobicContact CZ3-CG2 3.63Å
956	T	60.6	Low	62	Low	6 Å²	6	69.6 Å²	69.6	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-68.3	-37.5	177.3	51.4	0	0	0	0	111.6	H952 E953 E958 V960 N965	H952-T956 WeakPolarHBondContact O-CB 3.41Å; H952-T956 VanDerWaalsContact O-CG2 3.27Å; H952-T956 WeakPolarHBondContact O-CG2 3.4Å; H952-T956 PolarHBondContact O-N 2.89Å; H952-T956 PolarHBondContact O-OG1 3.16Å; E953-T956 WeakPolarHBondContact CA-OG1 3.49Å; E953-T956 PolarHBondContact O-N 3.07Å; E953-T956 PolarHBondContact O-OG1 2.93Å; T956-E958 VanDerWaalsContact C-N 3.3Å; T956-E958 PolarHBondContact O-N 3.26Å; T956-V960 WeakPolarHBondContact O-CB 3.45Å; T956-V960 PolarHBondContact O-N 3.24Å; T956-N965 WeakPolarHBondContact CB-OD1 3.35Å
957	A	64.6	Low	62.4	Low	81 Å²	81	69.5 Å²	69.5	67%	0.669	35%	0.345	S	S	*	.	H	α-helix	trans	-62.6	-35.8	173.4	0	0	0	0	0	112.7	E953 K954	E953-A957 VanDerWaalsContact O-CB 3.29Å; E953-A957 WeakPolarHBondContact O-CB 3.1Å; E953-A957 PolarHBondContact O-N 3.12Å; K954-A957 PolarHBondContact O-N 3.43Å
958	E	65.3	Low	62.4	Low	126 Å²	126	67 Å²	67	59%	0.589	33%	0.332	S	S	*	.	H	α-helix	trans	-86.2	-27.4	-177.4	-72.7	170.6	-175.1	0	0	114.3	K954 W955 T956	K954-E958 WeakPolarHBondContact CE-OE1 3.31Å; K954-E958 VanDerWaalsContact CG-OE1 3.27Å; K954-E958 WeakPolarHBondContact CG-OE1 3.46Å; K954-E958 WeakPolarHBondContact O-CB 3.4Å; K954-E958 VanDerWaalsContact O-CG 3.27Å; K954-E958 WeakPolarHBondContact O-CG 3.39Å; K954-E958 PolarHBondContact O-N 3.13Å; W955-E958 PolarHBondContact O-N 3.4Å; T956-E958 VanDerWaalsContact C-N 3.3Å; T956-E958 PolarHBondContact O-N 3.26Å
959	N	55.6	Low	62.7	Low	70 Å²	70	67 Å²	67	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-123.5	-2.7	-163.7	-65.1	-103.6	0	0	0	115.4	W955	W955-N959 VanDerWaalsContact CD1-ND2 3.27Å; W955-N959 HydrophobicContact CD2-CB 4.29Å; W955-N959 HydrophobicContact CH2-CB 4.14Å; W955-N959 HydrophobicContact CZ2-CB 3.62Å; W955-N959 VanDerWaalsContact NE1-CG 3.34Å; W955-N959 PolarHBondContact NE1-ND2 3.04Å; W955-N959 VanDerWaalsContact NE1-ND2 3.17Å; W955-N959 VanDerWaalsContact O-CB 3.26Å; W955-N959 WeakPolarHBondContact O-CB 3.35Å; W955-N959 PolarHBondContact O-N 2.88Å; W955-N959 PolarHBondContact O-ND2 3.28Å
960	V	62.3	Low	63.1	Low	19 Å²	19	70.8 Å²	70.8	12%	0.115	35%	0.349	C	S	.	.	S	Bend	trans	-135.4	137	-168.2	178	0	0	0	0	110.6	M847 W955 T956 Q964 N965	M847-V960 HydrophobicContact CE-CB 3.9Å; M847-V960 HydrophobicContact CE-CG1 3.13Å; M847-V960 HydrophobicContact CE-CG2 3.42Å; M847-V960 VanDerWaalsContact CE-CG2 3.42Å; W955-V960 HydrophobicContact CE3-CG2 4.47Å; W955-V960 HydrophobicContact CH2-CG2 3.78Å; W955-V960 HydrophobicContact CZ3-CG2 3.63Å; T956-V960 WeakPolarHBondContact O-CB 3.45Å; T956-V960 PolarHBondContact O-N 3.24Å; V960-Q964 HydrophobicContact CG1-CB 3.43Å; V960-Q964 VanDerWaalsContact CG1-CB 3.43Å; V960-N965 HydrophobicContact CG1-CB 3.85Å
961	T	67.6	Low	63.1	Low	77 Å²	77	66.1 Å²	66.1	47%	0.472	33%	0.334	S	S	.	.			trans	-65.8	152.4	175.2	67.3	0	0	0	0	110.9	E963 Q964 N965	T961-E963 PolarHBondContact O-N 3.35Å; T961-E963 VanDerWaalsContact O-N 3.13Å; T961-Q964 PolarHBondContact O-N 2.79Å; T961-Q964 VanDerWaalsContact O-N 3.15Å; T961-Q964 WeakPolarHBondContact OG1-CB 3.43Å; T961-Q964 VanDerWaalsContact OG1-CD 3.32Å; T961-Q964 WeakPolarHBondContact OG1-CG 3.44Å; T961-Q964 PolarHBondContact OG1-N 3.26Å; T961-Q964 PolarHBondContact OG1-OE1 3.34Å; T961-N965 WeakPolarHBondContact O-CB 3.45Å; T961-N965 PolarHBondContact O-N 3.24Å
962	K	66.4	Low	62.6	Low	197 Å²	197	63.8 Å²	63.8	86%	0.857	32%	0.324	S	S	*	.	H	α-helix	trans	-53.6	-37.7	-178.4	-72.9	-177.5	179.4	176.2	0	113	N965 S966	K962-N965 PolarHBondContact O-N 2.69Å; K962-S966 PolarHBondContact O-N 3.38Å
963	E	63.9	Low	62.5	Low	160 Å²	160	63.4 Å²	63.4	75%	0.748	32%	0.323	S	S	*	.	H	α-helix	trans	-66.8	-49.8	178.4	-66.3	175.2	-179.6	0	0	112	T961 N965 S966 F967	T961-E963 PolarHBondContact O-N 3.35Å; T961-E963 VanDerWaalsContact O-N 3.13Å; E963-N965 VanDerWaalsContact C-N 3.27Å; E963-N965 PolarHBondContact O-N 2.88Å; E963-S966 PolarHBondContact O-N 2.76Å; E963-S966 PolarHBondContact O-OG 3.21Å; E963-F967 PolarHBondContact O-N 3.46Å
964	Q	63.3	Low	62.2	Low	63 Å²	63	62.2 Å²	62.2	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-35.9	175.8	-73	173.7	-16.7	0	0	111.9	M847 V960 T961 F967 V968	M847-Q964 HydrophobicContact CE-CB 3.87Å; M847-Q964 HydrophobicContact SD-CB 4.03Å; M847-Q964 HydrophobicContact SD-CG 4.36Å; V960-Q964 HydrophobicContact CG1-CB 3.43Å; V960-Q964 VanDerWaalsContact CG1-CB 3.43Å; T961-Q964 PolarHBondContact O-N 2.79Å; T961-Q964 VanDerWaalsContact O-N 3.15Å; T961-Q964 WeakPolarHBondContact OG1-CB 3.43Å; T961-Q964 VanDerWaalsContact OG1-CD 3.32Å; T961-Q964 WeakPolarHBondContact OG1-CG 3.44Å; T961-Q964 PolarHBondContact OG1-N 3.26Å; T961-Q964 PolarHBondContact OG1-OE1 3.34Å; Q964-F967 PolarHBondContact O-N 3.05Å; Q964-V968 WeakPolarHBondContact O-CB 3.29Å; Q964-V968 VanDerWaalsContact O-CG2 3.31Å; Q964-V968 WeakPolarHBondContact O-CG2 3.45Å; Q964-V968 PolarHBondContact O-N 3.1Å
965	N	64.6	Low	61.8	Low	31 Å²	31	57.2 Å²	57.2	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-67.9	-38.7	177.6	-162	8.4	0	0	0	111	T956 V960 T961 K962 E963 N969	T956-N965 WeakPolarHBondContact CB-OD1 3.35Å; V960-N965 HydrophobicContact CG1-CB 3.85Å; T961-N965 WeakPolarHBondContact O-CB 3.45Å; T961-N965 PolarHBondContact O-N 3.24Å; K962-N965 PolarHBondContact O-N 2.69Å; E963-N965 VanDerWaalsContact C-N 3.27Å; E963-N965 PolarHBondContact O-N 2.88Å; N965-N969 WeakPolarHBondContact O-CB 3.42Å; N965-N969 PolarHBondContact O-N 2.65Å; N965-N969 PolarHBondContact O-ND2 2.99Å; N965-N969 PolarHBondContact OD1-ND2 3.49Å
966	S	64.1	Low	61.6	Low	68 Å²	68	61.1 Å²	61.1	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.3	85.4	0	0	0	0	111.9	K962 E963 N969 E970	K962-S966 PolarHBondContact O-N 3.38Å; E963-S966 PolarHBondContact O-N 2.76Å; E963-S966 PolarHBondContact O-OG 3.21Å; S966-N969 PolarHBondContact O-N 2.98Å; S966-E970 VanDerWaalsContact O-CB 3.29Å; S966-E970 WeakPolarHBondContact O-CB 3.2Å; S966-E970 PolarHBondContact O-N 3.42Å
967	F	63.3	Low	61.5	Low	67 Å²	67	64.3 Å²	64.3	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-45.8	178.3	-179.4	-90.6	0	0	0	111.9	N844 E963 Q964 E970 L971	N844-F967 HydrophobicContact CB-CD1 4.02Å; N844-F967 HydrophobicContact CB-CE1 3.49Å; N844-F967 VanDerWaalsContact CB-CE1 3.49Å; N844-F967 HydrophobicContact CB-CZ 4.06Å; N844-F967 VanDerWaalsContact CG-CE1 3.5Å; N844-F967 WeakPolarHBondContact ND2-CE1 3.39Å; E963-F967 PolarHBondContact O-N 3.46Å; Q964-F967 PolarHBondContact O-N 3.05Å; F967-E970 PolarHBondContact O-N 3.22Å; F967-L971 HydrophobicContact CE1-CD2 4Å; F967-L971 HydrophobicContact CZ-CD2 4.5Å; F967-L971 VanDerWaalsContact O-CB 3.27Å; F967-L971 WeakPolarHBondContact O-CB 3.3Å; F967-L971 PolarHBondContact O-N 3.03Å
968	V	60.3	Low	61.1	Low	1 Å²	1	63.9 Å²	63.9	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-63.2	-42.8	176.3	170.1	0	0	0	0	110.8	M847 L848 Q964 L971 L972	M847-V968 HydrophobicContact CE-CG2 3.59Å; M847-V968 HydrophobicContact SD-CG2 3.64Å; L848-V968 HydrophobicContact CD1-CG1 4.48Å; Q964-V968 WeakPolarHBondContact O-CB 3.29Å; Q964-V968 VanDerWaalsContact O-CG2 3.31Å; Q964-V968 WeakPolarHBondContact O-CG2 3.45Å; Q964-V968 PolarHBondContact O-N 3.1Å; V968-L971 PolarHBondContact O-N 3.27Å; V968-L972 HydrophobicContact CG1-CD1 3.55Å; V968-L972 HydrophobicContact CG1-CG 4.1Å; V968-L972 WeakPolarHBondContact O-CB 3.32Å; V968-L972 WeakPolarHBondContact O-CG 3.39Å; V968-L972 PolarHBondContact O-N 3.12Å
969	N	61.2	Low	60.5	Low	6 Å²	6	67.1 Å²	67.1	3%	0.032	36%	0.364	C	S	.	.	H	α-helix	trans	-65.8	-39	176.5	-75.7	-37	0	0	0	112	N965 S966 S973	N965-N969 WeakPolarHBondContact O-CB 3.42Å; N965-N969 PolarHBondContact O-N 2.65Å; N965-N969 PolarHBondContact O-ND2 2.99Å; N965-N969 PolarHBondContact OD1-ND2 3.49Å; S966-N969 PolarHBondContact O-N 2.98Å; N969-S973 WeakPolarHBondContact O-CA 3.37Å; N969-S973 WeakPolarHBondContact O-CB 3.41Å; N969-S973 PolarHBondContact O-N 3.11Å; N969-S973 PolarHBondContact O-OG 2.94Å
970	E	65.3	Low	60.6	Low	89 Å²	89	66.7 Å²	66.7	42%	0.416	36%	0.361	S	S	.	.	H	α-helix	trans	-65	-45.9	174.9	-178.8	172.2	-177.3	0	0	111.7	S966 F967 G974	S966-E970 VanDerWaalsContact O-CB 3.29Å; S966-E970 WeakPolarHBondContact O-CB 3.2Å; S966-E970 PolarHBondContact O-N 3.42Å; F967-E970 PolarHBondContact O-N 3.22Å; E970-G974 VanDerWaalsContact O-CA 3.27Å; E970-G974 WeakPolarHBondContact O-CA 3.35Å; E970-G974 PolarHBondContact O-N 3.2Å
971	L	60.9	Low	60.3	Low	45 Å²	45	66.3 Å²	66.3	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-67.1	-41	-179.8	-170	68.9	0	0	0	112	L848 F967 V968 R1004	L848-L971 HydrophobicContact CD1-CD2 4.15Å; L848-L971 HydrophobicContact CD2-CD2 3.44Å; L848-L971 VanDerWaalsContact CD2-CD2 3.44Å; L848-L971 HydrophobicContact CG-CD2 4.38Å; F967-L971 HydrophobicContact CE1-CD2 4Å; F967-L971 HydrophobicContact CZ-CD2 4.5Å; F967-L971 VanDerWaalsContact O-CB 3.27Å; F967-L971 WeakPolarHBondContact O-CB 3.3Å; F967-L971 PolarHBondContact O-N 3.03Å; V968-L971 PolarHBondContact O-N 3.27Å; L971-R1004 WeakPolarHBondContact O-CD 3.3Å; L971-R1004 PolarHBondContact O-NE 3.24Å; L971-R1004 VanDerWaalsContact O-NE 3.13Å
972	L	53.7	Low	59.5	Low	9 Å²	9	63.6 Å²	63.6	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-76.1	-42.3	179	-66.7	-178.2	0	0	0	112.1	L848 V968 V1001 R1004	L848-L972 HydrophobicContact CD1-CD1 4.46Å; L848-L972 HydrophobicContact CD1-CD2 3.72Å; L848-L972 HydrophobicContact CD1-CG 4.1Å; V968-L972 HydrophobicContact CG1-CD1 3.55Å; V968-L972 HydrophobicContact CG1-CG 4.1Å; V968-L972 WeakPolarHBondContact O-CB 3.32Å; V968-L972 WeakPolarHBondContact O-CG 3.39Å; V968-L972 PolarHBondContact O-N 3.12Å; L972-V1001 HydrophobicContact CB-CG1 4.34Å; L972-V1001 HydrophobicContact CD1-CG1 3.97Å; L972-V1001 HydrophobicContact CD2-CG1 3.62Å; L972-V1001 HydrophobicContact CG-CG1 4.18Å; L972-R1004 PolarHBondContact O-NH1 2.91Å
973	S	58.1	Low	59	Low	6 Å²	6	56.9 Å²	56.9	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-76.1	-31.2	178.5	72.3	0	0	0	0	112.7	N969 T975 R988 R1004	N969-S973 WeakPolarHBondContact O-CA 3.37Å; N969-S973 WeakPolarHBondContact O-CB 3.41Å; N969-S973 PolarHBondContact O-N 3.11Å; N969-S973 PolarHBondContact O-OG 2.94Å; S973-T975 PolarHBondContact O-N 3.35Å; S973-T975 PolarHBondContact OG-N 2.96Å; S973-T975 PolarHBondContact OG-O 3.16Å; S973-T975 PolarHBondContact OG-OG1 3.32Å; S973-R988 PolarHBondContact O-NH1 3.31Å; S973-R1004 VanDerWaalsContact C-NH1 3.27Å; S973-R1004 PolarHBondContact O-NH1 3.08Å; S973-R1004 VanDerWaalsContact O-NH1 3.15Å
974	G	57	Low	58.6	Low	28 Å²	28	49.5 Å²	49.5	29%	0.289	29%	0.29	S	S	.	.			trans	67.8	18.2	-175.4	0	0	0	0	0	115.9	E970 R1004	E970-G974 VanDerWaalsContact O-CA 3.27Å; E970-G974 WeakPolarHBondContact O-CA 3.35Å; E970-G974 PolarHBondContact O-N 3.2Å; G974-R1004 VanDerWaalsContact N-NH1 3.13Å
975	T	58	Low	58.1	Low	30 Å²	30	49.5 Å²	49.5	18%	0.184	29%	0.288	C	S	.	.	S	Bend	trans	-125.8	111.6	177.7	38.3	0	0	0	0	106.6	S973 G977	S973-T975 PolarHBondContact O-N 3.35Å; S973-T975 PolarHBondContact OG-N 2.96Å; S973-T975 PolarHBondContact OG-O 3.16Å; S973-T975 PolarHBondContact OG-OG1 3.32Å; T975-G977 PolarHBondContact O-N 3.14Å
976	P	57	Low	57.3	Low	105 Å²	105	52.9 Å²	52.9	68%	0.682	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	136.5	174.7	22.6	-30.3	0	0	0	109.2
977	G	58.1	Low	56.8	Low	73 Å²	73	52.4 Å²	52.4	75%	0.753	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-5.4	174.3	0	0	0	0	0	117.6	T975 K979	T975-G977 PolarHBondContact O-N 3.14Å; G977-K979 PolarHBondContact O-N 3.25Å
978	K	56.2	Low	56.1	Low	72 Å²	72	54.5 Å²	54.5	31%	0.313	31%	0.306	S	S	.	.			trans	-81.1	103.8	172.7	-71.4	-160	178.7	-171	0	110.8	N980 A984 S987	K978-N980 PolarHBondContact O-N 2.95Å; K978-A984 HydrophobicContact CB-CB 4.16Å; K978-A984 HydrophobicContact CD-CB 3.48Å; K978-A984 VanDerWaalsContact CD-CB 3.48Å; K978-A984 HydrophobicContact CG-CB 4.44Å; K978-S987 PolarHBondContact NZ-OG 3.44Å
979	K	53.7	Low	55.2	Low	194 Å²	194	58.1 Å²	58.1	84%	0.843	33%	0.33	S	S	*	.			trans	-64.2	-17.6	-178.3	-67.9	-177.6	-179.7	176.7	0	114.7	G977	G977-K979 PolarHBondContact O-N 3.25Å
980	N	57.8	Low	54.2	Low	60 Å²	60	65.9 Å²	65.9	32%	0.321	37%	0.366	S	S	.	.			trans	-135.7	123.9	-176.1	-161.4	-9	0	0	0	111.8	E953 K978 S982 A983 A984	E953-N980 VanDerWaalsContact OE1-CG 3.31Å; E953-N980 PolarHBondContact OE1-ND2 2.89Å; E953-N980 PolarHBondContact OE1-OD1 2.9Å; K978-N980 PolarHBondContact O-N 2.95Å; N980-S982 VanDerWaalsContact C-N 3.26Å; N980-S982 PolarHBondContact ND2-OG 3.47Å; N980-S982 PolarHBondContact O-N 3.13Å; N980-S982 PolarHBondContact OD1-N 3.26Å; N980-S982 PolarHBondContact OD1-OG 2.91Å; N980-S982 VanDerWaalsContact OD1-OG 3.06Å; N980-A983 HydrophobicContact CB-CB 4Å; N980-A983 PolarHBondContact O-N 3.35Å; N980-A984 PolarHBondContact O-N 3.42Å
981	M	55.7	Low	52.8	Low	11 Å²	11	68 Å²	68	5%	0.054	38%	0.376	C	S	.	.	H	α-helix	trans	-60.4	-36.8	176.2	-172.8	-175.7	72.8	0	0	111.1	F948 H952 A984 W985 V1001	F948-M981 HydrophobicContact CE1-CE 4.3Å; H952-M981 HydrophobicContact CB-CE 3.77Å; H952-M981 WeakPolarHBondContact CD2-CE 3.16Å; M981-A984 PolarHBondContact O-N 3.34Å; M981-W985 WeakPolarHBondContact O-CB 3.4Å; M981-W985 PolarHBondContact O-N 3.32Å; M981-V1001 HydrophobicContact SD-CG2 4.43Å
982	S	51.4	Low	51.3	Low	21 Å²	21	72 Å²	72	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-67	-42.5	177	64.4	0	0	0	0	111.9	E953 N980 A984 W985 M986	E953-S982 WeakPolarHBondContact OE1-CB 3.5Å; E953-S982 PolarHBondContact OE1-OG 3.1Å; N980-S982 VanDerWaalsContact C-N 3.26Å; N980-S982 PolarHBondContact ND2-OG 3.47Å; N980-S982 PolarHBondContact O-N 3.13Å; N980-S982 PolarHBondContact OD1-N 3.26Å; N980-S982 PolarHBondContact OD1-OG 2.91Å; N980-S982 VanDerWaalsContact OD1-OG 3.06Å; S982-A984 VanDerWaalsContact C-N 3.34Å; S982-A984 PolarHBondContact O-N 3.19Å; S982-W985 CarbonylContact O-C 3.56Å; S982-W985 WeakPolarHBondContact O-CA 3.42Å; S982-W985 WeakPolarHBondContact O-CB 3.27Å; S982-W985 PolarHBondContact O-N 3.29Å; S982-W985 VanDerWaalsContact O-N 3.13Å; S982-M986 WeakPolarHBondContact O-CB 3.07Å; S982-M986 VanDerWaalsContact O-CG 3.25Å; S982-M986 WeakPolarHBondContact O-CG 3.44Å; S982-M986 PolarHBondContact O-N 2.98Å
983	A	54.7	Low	50.1	Low	56 Å²	56	76.1 Å²	76.1	46%	0.463	43%	0.433	S	S	.	.	H	α-helix	trans	-66.6	-37.3	176	0	0	0	0	0	111.8	N980 W985 S987	N980-A983 HydrophobicContact CB-CB 4Å; N980-A983 PolarHBondContact O-N 3.35Å; A983-W985 VanDerWaalsContact C-N 3.27Å; A983-W985 PolarHBondContact O-N 3.04Å; A983-S987 WeakPolarHBondContact O-CB 3.27Å; A983-S987 PolarHBondContact O-N 3.31Å
984	A	55.8	Low	49	Very low	4 Å²	4	81.7 Å²	81.7	3%	0.033	47%	0.472	C	S	.	.	H	α-helix	trans	-66.3	-31.2	172.5	0	0	0	0	0	112.8	K978 N980 M981 S982 R988	K978-A984 HydrophobicContact CB-CB 4.16Å; K978-A984 HydrophobicContact CD-CB 3.48Å; K978-A984 VanDerWaalsContact CD-CB 3.48Å; K978-A984 HydrophobicContact CG-CB 4.44Å; N980-A984 PolarHBondContact O-N 3.42Å; M981-A984 PolarHBondContact O-N 3.34Å; S982-A984 VanDerWaalsContact C-N 3.34Å; S982-A984 PolarHBondContact O-N 3.19Å; A984-R988 WeakPolarHBondContact O-CB 3.35Å; A984-R988 WeakPolarHBondContact O-CG 3.31Å; A984-R988 PolarHBondContact O-N 3.29Å
985	W	52.9	Low	48.2	Very low	64 Å²	64	90.1 Å²	90.1	24%	0.242	50%	0.495	C	S	.	.	H	α-helix	trans	-75.4	-53	177.5	178	68.3	0	0	0	111.3	E946 M981 S982 A983 S987 R988 C989	E946-W985 HydrophobicContact CG-CH2 3.68Å; E946-W985 HydrophobicContact CG-CZ3 4.02Å; M981-W985 WeakPolarHBondContact O-CB 3.4Å; M981-W985 PolarHBondContact O-N 3.32Å; S982-W985 CarbonylContact O-C 3.56Å; S982-W985 WeakPolarHBondContact O-CA 3.42Å; S982-W985 WeakPolarHBondContact O-CB 3.27Å; S982-W985 PolarHBondContact O-N 3.29Å; S982-W985 VanDerWaalsContact O-N 3.13Å; A983-W985 VanDerWaalsContact C-N 3.27Å; A983-W985 PolarHBondContact O-N 3.04Å; W985-S987 PolarHBondContact O-N 3.22Å; W985-R988 CarbonylContact O-C 3.53Å; W985-R988 PolarHBondContact O-N 3.05Å; W985-C989 PolarHBondContact O-N 2.95Å; W985-C989 PolarHBondContact O-SG 3.4Å
986	M	48.4	Very low	47.7	Very low	102 Å²	102	97.3 Å²	97.3	50%	0.502	52%	0.519	S	S	.	.	H	α-helix	trans	-58.8	-44.9	177.2	-65.6	-63.7	-87.2	0	0	111.6	S982 R988 C989 E990	S982-M986 WeakPolarHBondContact O-CB 3.07Å; S982-M986 VanDerWaalsContact O-CG 3.25Å; S982-M986 WeakPolarHBondContact O-CG 3.44Å; S982-M986 PolarHBondContact O-N 2.98Å; M986-R988 PolarHBondContact O-N 3.12Å; M986-C989 WeakPolarHBondContact O-CB 3.17Å; M986-C989 PolarHBondContact O-N 3.42Å; M986-E990 PolarHBondContact O-N 3.32Å
987	S	52.8	Low	47.2	Very low	58 Å²	58	93.8 Å²	93.8	41%	0.406	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-21.1	175.2	162.2	0	0	0	0	114.1	K978 A983 W985	K978-S987 PolarHBondContact NZ-OG 3.44Å; A983-S987 WeakPolarHBondContact O-CB 3.27Å; A983-S987 PolarHBondContact O-N 3.31Å; W985-S987 PolarHBondContact O-N 3.22Å
988	R	48.8	Very low	46.7	Very low	111 Å²	111	91.1 Å²	91.1	42%	0.419	47%	0.466	S	S	.	.	H	α-helix	trans	-98.1	-10.9	175.1	-82.4	178.3	167.2	157.3	-0	113.1	S973 A984 W985 M986	S973-R988 PolarHBondContact O-NH1 3.31Å; A984-R988 WeakPolarHBondContact O-CB 3.35Å; A984-R988 WeakPolarHBondContact O-CG 3.31Å; A984-R988 PolarHBondContact O-N 3.29Å; W985-R988 CarbonylContact O-C 3.53Å; W985-R988 PolarHBondContact O-N 3.05Å; M986-R988 PolarHBondContact O-N 3.12Å
989	C	41.2	Very low	46.5	Very low	76 Å²	76	89.9 Å²	89.9	51%	0.514	46%	0.46	S	S	.	.	H	α-helix	trans	-83.1	-17.7	173.8	-74.7	0	0	0	0	112.4	W985 M986 E991	W985-C989 PolarHBondContact O-N 2.95Å; W985-C989 PolarHBondContact O-SG 3.4Å; M986-C989 WeakPolarHBondContact O-CB 3.17Å; M986-C989 PolarHBondContact O-N 3.42Å; C989-E991 VanDerWaalsContact C-N 3.34Å
990	E	41.3	Very low	46.2	Very low	169 Å²	169	84 Å²	84	79%	0.79	43%	0.434	S	S	*	.	S	Bend	trans	-79.4	-8.6	175.8	-71.3	174.7	174.3	0	0	114.1	M986	M986-E990 PolarHBondContact O-N 3.32Å
991	E	34.6	Very low	45.9	Very low	134 Å²	134	82.3 Å²	82.3	63%	0.626	43%	0.426	S	S	*	.	S	Bend	trans	-82.8	139.5	169.2	-74.1	179.7	175.3	0	0	110.7	C989 C993	C989-E991 VanDerWaalsContact C-N 3.34Å; E991-C993 PolarHBondContact O-N 3.14Å
992	P	29.5	Very low	45.7	Very low	130 Å²	130	82 Å²	82	84%	0.844	43%	0.425	S	S	*	.	S	Bend	trans	-72.2	74.3	-178.3	30.1	-33.5	0	0	0	110.8
993	C	30	Very low	45.8	Very low	94 Å²	94	82.6 Å²	82.6	64%	0.635	43%	0.426	S	S	*	.			trans	-147.8	80.9	174.5	-94.5	0	0	0	0	109.8	E991 R995	E991-C993 PolarHBondContact O-N 3.14Å; C993-R995 PolarHBondContact O-N 3.41Å
994	S	34.8	Very low	45.9	Very low	123 Å²	123	83.9 Å²	83.9	86%	0.86	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	33.1	175	55	0	0	0	0	115.7
995	R	39.6	Very low	45.8	Very low	205 Å²	205	84 Å²	84	77%	0.774	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.4	15.4	-167.4	-71.5	-170.4	176.3	-166.2	1.4	116.4	C993 P997 Y999	C993-R995 PolarHBondContact O-N 3.41Å; R995-P997 VanDerWaalsContact C-CD 3.42Å; R995-Y999 PolarHBondContact O-OH 3.3Å
996	R	47.5	Very low	45.9	Very low	181 Å²	181	82.3 Å²	82.3	68%	0.683	41%	0.413	S	S	*	.			trans	-126.4	72.9	178.5	-61.6	-171.5	-176.5	-170.6	5.1	115.4
997	P	45.9	Very low	46.3	Very low	31 Å²	31	83.3 Å²	83.3	20%	0.201	42%	0.415	C	S	.	.			trans	-59.6	169.1	169.5	-20.1	22.9	0	0	0	115.7	W927 R995 Y999 F1000	W927-P997 HydrophobicContact CD2-CB 4.07Å; W927-P997 HydrophobicContact CG-CB 4.05Å; W927-P997 HydrophobicContact CG-CG 4.28Å; R995-P997 VanDerWaalsContact C-CD 3.42Å; P997-Y999 HydrophobicContact CB-CD1 3.62Å; P997-Y999 HydrophobicContact CB-CE1 3.68Å; P997-Y999 HydrophobicContact CG-CD1 3.94Å; P997-Y999 HydrophobicContact CG-CE1 3.48Å; P997-Y999 VanDerWaalsContact CG-CE1 3.48Å; P997-Y999 PolarHBondContact O-N 3.45Å; P997-F1000 PolarHBondContact O-N 3.46Å
998	P	47.2	Very low	46.6	Very low	18 Å²	18	84.4 Å²	84.4	12%	0.117	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-7.4	-174.8	-23.1	32.2	0	0	0	116.3	W927 F1000 V1001	W927-P998 HydrophobicContact CE3-CG 4.37Å; W927-P998 HydrophobicContact CH2-CG 3.29Å; W927-P998 HydrophobicContact CZ2-CG 4.08Å; W927-P998 HydrophobicContact CZ3-CG 3.51Å; P998-F1000 PolarHBondContact O-N 2.98Å; P998-F1000 VanDerWaalsContact O-N 3.14Å; P998-V1001 PolarHBondContact O-N 2.82Å
999	Y	52.3	Low	46.8	Very low	46 Å²	46	83.9 Å²	83.9	18%	0.18	41%	0.411	C	S	.	.	H	α-helix	trans	-59.6	-17.7	166.9	69.8	-106.8	0	0	0	112.1	L920 R995 P997 V1001 V1002 N1003	L920-Y999 HydrophobicContact CD2-CD2 4.2Å; L920-Y999 HydrophobicContact CD2-CG 4.44Å; R995-Y999 PolarHBondContact O-OH 3.3Å; P997-Y999 HydrophobicContact CB-CD1 3.62Å; P997-Y999 HydrophobicContact CB-CE1 3.68Å; P997-Y999 HydrophobicContact CG-CD1 3.94Å; P997-Y999 HydrophobicContact CG-CE1 3.48Å; P997-Y999 VanDerWaalsContact CG-CE1 3.48Å; P997-Y999 PolarHBondContact O-N 3.45Å; Y999-V1001 VanDerWaalsContact C-N 3.32Å; Y999-V1001 PolarHBondContact O-N 2.62Å; Y999-V1002 PolarHBondContact O-N 3.09Å; Y999-N1003 HydrophobicContact CD2-CB 4.37Å; Y999-N1003 WeakPolarHBondContact O-CA 3.42Å; Y999-N1003 WeakPolarHBondContact O-CB 3.42Å; Y999-N1003 PolarHBondContact O-N 3.49Å
1000	F	48.9	Very low	47.4	Very low	69 Å²	69	85.7 Å²	85.7	30%	0.303	41%	0.412	S	S	.	.	H	α-helix	trans	-59.8	-42.2	178.1	-172.4	-94.1	0	0	0	112	P997 P998 R1004	P997-F1000 PolarHBondContact O-N 3.46Å; P998-F1000 PolarHBondContact O-N 2.98Å; P998-F1000 VanDerWaalsContact O-N 3.14Å; F1000-R1004 WeakPolarHBondContact O-CB 3.12Å; F1000-R1004 PolarHBondContact O-N 3.44Å
1001	V	50.9	Low	47.9	Very low	25 Å²	25	88.4 Å²	88.4	15%	0.152	42%	0.421	C	S	.	.	H	α-helix	trans	-64.6	-45.4	177	-179.8	0	0	0	0	110.4	L972 M981 P998 Y999 R1004 Y1005	L972-V1001 HydrophobicContact CB-CG1 4.34Å; L972-V1001 HydrophobicContact CD1-CG1 3.97Å; L972-V1001 HydrophobicContact CD2-CG1 3.62Å; L972-V1001 HydrophobicContact CG-CG1 4.18Å; M981-V1001 HydrophobicContact SD-CG2 4.43Å; P998-V1001 PolarHBondContact O-N 2.82Å; Y999-V1001 VanDerWaalsContact C-N 3.32Å; Y999-V1001 PolarHBondContact O-N 2.62Å; V1001-R1004 PolarHBondContact O-N 3.36Å; V1001-Y1005 WeakPolarHBondContact O-CB 3.15Å; V1001-Y1005 PolarHBondContact O-N 3.08Å
1002	V	51.7	Low	48.6	Very low	5 Å²	5	86.1 Å²	86.1	3%	0.03	41%	0.411	C	S	.	.	H	α-helix	trans	-69.1	-40.2	179.4	177.5	0	0	0	0	111.9	L923 Y999 Y1005 F1006	L923-V1002 HydrophobicContact CD1-CG1 4.27Å; Y999-V1002 PolarHBondContact O-N 3.09Å; V1002-Y1005 PolarHBondContact O-N 2.9Å; V1002-F1006 HydrophobicContact CG1-CD2 3.6Å; V1002-F1006 HydrophobicContact CG1-CE2 3.25Å; V1002-F1006 HydrophobicContact CG1-CZ 4.27Å; V1002-F1006 WeakPolarHBondContact O-CB 3.33Å; V1002-F1006 WeakPolarHBondContact O-CD2 3.4Å; V1002-F1006 WeakPolarHBondContact O-CG 2.98Å; V1002-F1006 PolarHBondContact O-N 3.41Å
1003	N	53.7	Low	49.6	Very low	34 Å²	34	83.8 Å²	83.8	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-69.9	-38.8	177.2	-172.5	20.5	0	0	0	110.7	L920 Y999 F1006 K1007	L920-N1003 HydrophobicContact CD2-CB 4.47Å; Y999-N1003 HydrophobicContact CD2-CB 4.37Å; Y999-N1003 WeakPolarHBondContact O-CA 3.42Å; Y999-N1003 WeakPolarHBondContact O-CB 3.42Å; Y999-N1003 PolarHBondContact O-N 3.49Å; N1003-F1006 PolarHBondContact O-N 3.08Å; N1003-K1007 VanDerWaalsContact O-CB 3.29Å; N1003-K1007 WeakPolarHBondContact O-CB 3.26Å; N1003-K1007 VanDerWaalsContact O-CG 3.31Å; N1003-K1007 WeakPolarHBondContact O-CG 3.06Å; N1003-K1007 PolarHBondContact O-N 3.5Å
1004	R	56.9	Low	50.7	Low	82 Å²	82	83.2 Å²	83.2	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-43.4	173.9	-168	-176.4	-163.7	138.7	10.5	111.5	L971 L972 S973 G974 F1000 V1001 F1006 K1007 W1008	L971-R1004 WeakPolarHBondContact O-CD 3.3Å; L971-R1004 PolarHBondContact O-NE 3.24Å; L971-R1004 VanDerWaalsContact O-NE 3.13Å; L972-R1004 PolarHBondContact O-NH1 2.91Å; S973-R1004 VanDerWaalsContact C-NH1 3.27Å; S973-R1004 PolarHBondContact O-NH1 3.08Å; S973-R1004 VanDerWaalsContact O-NH1 3.15Å; G974-R1004 VanDerWaalsContact N-NH1 3.13Å; F1000-R1004 WeakPolarHBondContact O-CB 3.12Å; F1000-R1004 PolarHBondContact O-N 3.44Å; V1001-R1004 PolarHBondContact O-N 3.36Å; R1004-F1006 VanDerWaalsContact C-N 3.34Å; R1004-F1006 PolarHBondContact O-N 3.2Å; R1004-K1007 PolarHBondContact O-N 3.04Å; R1004-W1008 WeakPolarHBondContact O-CB 3.31Å; R1004-W1008 PolarHBondContact O-N 3.03Å
1005	Y	53.8	Low	51.6	Low	6 Å²	6	80.9 Å²	80.9	2%	0.024	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-48.8	171.6	168.9	-103.8	0	0	0	111.6	L848 Q849 V852 V1001 V1002 W1008 K1009	L848-Y1005 HydrophobicContact CB-CD2 4.42Å; L848-Y1005 HydrophobicContact CB-CE2 4.22Å; L848-Y1005 HydrophobicContact CD2-CD2 3.44Å; L848-Y1005 VanDerWaalsContact CD2-CD2 3.44Å; L848-Y1005 HydrophobicContact CD2-CE2 3.83Å; L848-Y1005 HydrophobicContact CG-CD2 3.5Å; L848-Y1005 VanDerWaalsContact CG-CD2 3.5Å; L848-Y1005 HydrophobicContact CG-CE2 3.78Å; Q849-Y1005 WeakPolarHBondContact CA-OH 3.36Å; Q849-Y1005 HydrophobicContact CB-CE2 4.35Å; Q849-Y1005 WeakPolarHBondContact CB-OH 3.3Å; Q849-Y1005 VanDerWaalsContact CG-OH 3.22Å; Q849-Y1005 WeakPolarHBondContact CG-OH 3.36Å; Q849-Y1005 PolarHBondContact OE1-OH 2.84Å; V852-Y1005 HydrophobicContact CB-CD1 3.91Å; V852-Y1005 HydrophobicContact CB-CE1 3.99Å; V852-Y1005 HydrophobicContact CB-CG 4.2Å; V852-Y1005 HydrophobicContact CG1-CD1 3.68Å; V852-Y1005 HydrophobicContact CG1-CE1 3.89Å; V852-Y1005 HydrophobicContact CG1-CG 4.35Å; V852-Y1005 HydrophobicContact CG2-CD1 3.64Å; V852-Y1005 HydrophobicContact CG2-CD2 3.76Å; V852-Y1005 HydrophobicContact CG2-CE1 4.13Å; V852-Y1005 HydrophobicContact CG2-CE2 4.24Å; V852-Y1005 HydrophobicContact CG2-CG 3.43Å; V852-Y1005 VanDerWaalsContact CG2-CG 3.43Å; V1001-Y1005 WeakPolarHBondContact O-CB 3.15Å; V1001-Y1005 PolarHBondContact O-N 3.08Å; V1002-Y1005 PolarHBondContact O-N 2.9Å; Y1005-W1008 HydrophobicContact CD2-CE3 4.35Å; Y1005-W1008 HydrophobicContact CE2-CE3 4.36Å; Y1005-W1008 HydrophobicContact CE2-CZ3 4.34Å; Y1005-W1008 CarbonylContact O-C 3.56Å; Y1005-W1008 PolarHBondContact O-N 2.61Å; Y1005-K1009 HydrophobicContact CE1-CD 4.19Å; Y1005-K1009 WeakPolarHBondContact O-CB 3.34Å; Y1005-K1009 PolarHBondContact O-N 3.32Å
1006	F	54.1	Low	52.3	Low	29 Å²	29	73.1 Å²	73.1	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-70.9	-35.4	-178.9	-75.5	-54	0	0	0	113.1	H916 K919 V1002 N1003 R1004 W1008 K1009 E1010	H916-F1006 WeakPolarHBondContact CE1-CB 3.44Å; H916-F1006 AromaticContact CE1-CD2 3.72Å; H916-F1006 AromaticContact CE1-CG 3.61Å; H916-F1006 WeakPolarHBondContact ND1-CB 3.43Å; H916-F1006 AromaticContact ND1-CD2 3.67Å; H916-F1006 AromaticContact ND1-CG 3.46Å; H916-F1006 WeakPolarHBondContact ND1-CG 3.47Å; K919-F1006 HydrophobicContact CD-CE2 4.47Å; K919-F1006 HydrophobicContact CD-CZ 4.07Å; V1002-F1006 HydrophobicContact CG1-CD2 3.6Å; V1002-F1006 HydrophobicContact CG1-CE2 3.25Å; V1002-F1006 HydrophobicContact CG1-CZ 4.27Å; V1002-F1006 WeakPolarHBondContact O-CB 3.33Å; V1002-F1006 WeakPolarHBondContact O-CD2 3.4Å; V1002-F1006 WeakPolarHBondContact O-CG 2.98Å; V1002-F1006 PolarHBondContact O-N 3.41Å; N1003-F1006 PolarHBondContact O-N 3.08Å; R1004-F1006 VanDerWaalsContact C-N 3.34Å; R1004-F1006 PolarHBondContact O-N 3.2Å; F1006-W1008 VanDerWaalsContact C-N 3.28Å; F1006-K1009 CarbonylContact O-C 3.47Å; F1006-K1009 PolarHBondContact O-N 2.83Å; F1006-E1010 WeakPolarHBondContact O-CB 3.38Å; F1006-E1010 PolarHBondContact O-N 3.26Å
1007	K	57.3	Low	52.7	Low	123 Å²	123	65.9 Å²	65.9	54%	0.535	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-35.7	170.5	-80.5	-174.7	176.8	-169.1	0	111.8	N1003 R1004 K1011	N1003-K1007 VanDerWaalsContact O-CB 3.29Å; N1003-K1007 WeakPolarHBondContact O-CB 3.26Å; N1003-K1007 VanDerWaalsContact O-CG 3.31Å; N1003-K1007 WeakPolarHBondContact O-CG 3.06Å; N1003-K1007 PolarHBondContact O-N 3.5Å; R1004-K1007 PolarHBondContact O-N 3.04Å; K1007-K1011 WeakPolarHBondContact O-CB 3.5Å; K1007-K1011 WeakPolarHBondContact O-CG 3.34Å; K1007-K1011 PolarHBondContact O-N 3.31Å
1008	W	59.2	Low	53.2	Low	81 Å²	81	68.4 Å²	68.4	31%	0.307	30%	0.301	S	S	.	.	H	α-helix	trans	-72.1	-30.1	174.1	176.7	82.6	0	0	0	112.4	Q845 L848 R1004 Y1005 F1006	Q845-W1008 HydrophobicContact CB-CH2 3.54Å; Q845-W1008 HydrophobicContact CB-CZ2 4.5Å; Q845-W1008 HydrophobicContact CB-CZ3 4.28Å; Q845-W1008 HydrophobicContact CG-CH2 3.45Å; Q845-W1008 VanDerWaalsContact CG-CH2 3.45Å; Q845-W1008 HydrophobicContact CG-CZ3 3.78Å; L848-W1008 HydrophobicContact CD2-CD2 4.18Å; L848-W1008 HydrophobicContact CD2-CE3 3.62Å; L848-W1008 HydrophobicContact CD2-CH2 4.26Å; L848-W1008 HydrophobicContact CD2-CZ3 3.67Å; R1004-W1008 WeakPolarHBondContact O-CB 3.31Å; R1004-W1008 PolarHBondContact O-N 3.03Å; Y1005-W1008 HydrophobicContact CD2-CE3 4.35Å; Y1005-W1008 HydrophobicContact CE2-CE3 4.36Å; Y1005-W1008 HydrophobicContact CE2-CZ3 4.34Å; Y1005-W1008 CarbonylContact O-C 3.56Å; Y1005-W1008 PolarHBondContact O-N 2.61Å; F1006-W1008 VanDerWaalsContact C-N 3.28Å
1009	K	51.6	Low	53.6	Low	101 Å²	101	72.3 Å²	72.3	44%	0.439	32%	0.315	S	S	.	.	H	α-helix	trans	-78	-26.9	172.9	-178.5	170.8	-178.3	152.8	0	113.6	Y1005 F1006	Y1005-K1009 HydrophobicContact CE1-CD 4.19Å; Y1005-K1009 WeakPolarHBondContact O-CB 3.34Å; Y1005-K1009 PolarHBondContact O-N 3.32Å; F1006-K1009 CarbonylContact O-C 3.47Å; F1006-K1009 PolarHBondContact O-N 2.83Å
1010	E	55.4	Low	53.7	Low	114 Å²	114	74.5 Å²	74.5	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-82.6	-27.9	176.7	-165	178	-169.8	0	0	111.8	R913 F1006	R913-E1010 IonicContact NE-OE1 2.68Å; R913-E1010 PolarHBondContact NE-OE1 3.02Å; R913-E1010 IonicContact NH2-OE1 2.74Å; F1006-E1010 WeakPolarHBondContact O-CB 3.38Å; F1006-E1010 PolarHBondContact O-N 3.26Å
1011	K	51.2	Low	54.2	Low	225 Å²	225	75 Å²	75	98%	0.978	33%	0.329	S	S	*	.			trans	-73.5	0	162	-74.3	-177.1	177.1	-165.7	0	110.2	K1007	K1007-K1011 WeakPolarHBondContact O-CB 3.5Å; K1007-K1011 WeakPolarHBondContact O-CG 3.34Å; K1007-K1011 PolarHBondContact O-N 3.31Å

Retrieved 1,011 of 1,011 residues in 693.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).